data_6189 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6189 _Entry.Title ; Solution structure of SEP domain from human p47 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-04-22 _Entry.Accession_date 2004-04-22 _Entry.Last_release_date 2004-11-08 _Entry.Original_release_date 2004-11-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Soukenik . . . 6189 2 M. Leidert . . . 6189 3 V. Sievert . . . 6189 4 K. Buessow . . . 6189 5 D. Leitner . . . 6189 6 D. Labudde . . . 6189 7 L. Ball . . . 6189 8 H. Oschkinat . . . 6189 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6189 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 609 6189 '13C chemical shifts' 311 6189 '15N chemical shifts' 106 6189 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 . . 2004-11-08 2004-04-22 original author . 6189 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6189 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15498563 _Citation.Full_citation . _Citation.Title 'The SEP domain of p47 acts as a reversible competitive inhibitor of cathepsin L' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 576 _Citation.Journal_issue 3 _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 358 _Citation.Page_last 362 _Citation.Year 2004 _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 M. Soukenik . . . 6189 1 2 A. Diehl . . . 6189 1 3 M. Leidert . . . 6189 1 4 V. Sievert . . . 6189 1 5 K. Bussow . . . 6189 1 6 D. Leitner . . . 6189 1 7 D. Labudde . . . 6189 1 8 L. Ball . J. . 6189 1 9 A. Lechner . . . 6189 1 10 D. Nagler . K. . 6189 1 11 H. Oschkinat . . . 6189 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 6189 1 p47 6189 1 SEP 6189 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_NSFL1_cofactor_p47 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_NSFL1_cofactor_p47 _Assembly.Entry_ID 6189 _Assembly.ID 1 _Assembly.Name 'NSFL1 cofactor p47' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6189 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'NSFL1 cofactor p47' 1 $NSFL1_cofactor_p47 . . . native . . . . . 6189 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1SS6 . . . . . . 6189 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'NSFL1 cofactor p47' system 6189 1 'NSFL1 cofactor p47' abbreviation 6189 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NSFL1_cofactor_p47 _Entity.Sf_category entity _Entity.Sf_framecode NSFL1_cofactor_p47 _Entity.Entry_ID 6189 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'NSFL1 cofactor p47' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSEKRQHSSQDVHVVLKLWK SGFSLDNGELRSYQDPSNAQ FLESIRRGEVPAELRRLAHG GQVNLDMEDHRDEDFVKPKG AFKAFTGEGQKLGSTAPQVL ST ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1SS6 . "Solution Structure Of Sep Domain From Human P47" . . . . . 100.00 102 100.00 100.00 1.61e-67 . . . . 6189 1 2 no DBJ BAA91731 . "unnamed protein product [Homo sapiens]" . . . . . 89.22 339 100.00 100.00 1.53e-57 . . . . 6189 1 3 no DBJ BAD97054 . "p47 protein isoform a variant [Homo sapiens]" . . . . . 98.04 370 100.00 100.00 7.63e-64 . . . . 6189 1 4 no DBJ BAD97061 . "p47 protein isoform a variant [Homo sapiens]" . . . . . 98.04 370 100.00 100.00 7.88e-64 . . . . 6189 1 5 no DBJ BAE88340 . "unnamed protein product [Macaca fascicularis]" . . . . . 98.04 299 100.00 100.00 1.56e-64 . . . . 6189 1 6 no DBJ BAG37821 . "unnamed protein product [Homo sapiens]" . . . . . 98.04 370 100.00 100.00 7.39e-64 . . . . 6189 1 7 no EMBL CAH90897 . "hypothetical protein [Pongo abelii]" . . . . . 98.04 370 100.00 100.00 7.39e-64 . . . . 6189 1 8 no GB AAD44488 . "p47 [Homo sapiens]" . . . . . 98.04 370 100.00 100.00 7.88e-64 . . . . 6189 1 9 no GB AAH02801 . "NSFL1 (p97) cofactor (p47) [Homo sapiens]" . . . . . 98.04 370 100.00 100.00 7.39e-64 . . . . 6189 1 10 no GB AAP97139 . "p47 [Homo sapiens]" . . . . . 98.04 372 100.00 100.00 7.86e-64 . . . . 6189 1 11 no GB ABM84115 . "NSFL1 (p97) cofactor (p47) [synthetic construct]" . . . . . 98.04 370 100.00 100.00 7.39e-64 . . . . 6189 1 12 no GB ABM87512 . "NSFL1 (p97) cofactor (p47) [synthetic construct]" . . . . . 98.04 370 100.00 100.00 7.39e-64 . . . . 6189 1 13 no REF NP_001125510 . "NSFL1 cofactor p47 [Pongo abelii]" . . . . . 98.04 370 100.00 100.00 7.39e-64 . . . . 6189 1 14 no REF NP_001193665 . "NSFL1 cofactor p47 isoform d [Homo sapiens]" . . . . . 98.04 372 100.00 100.00 7.78e-64 . . . . 6189 1 15 no REF NP_001253592 . "NSFL1 cofactor p47 [Macaca mulatta]" . . . . . 98.04 370 100.00 100.00 6.86e-64 . . . . 6189 1 16 no REF NP_057227 . "NSFL1 cofactor p47 isoform a [Homo sapiens]" . . . . . 98.04 370 100.00 100.00 7.39e-64 . . . . 6189 1 17 no REF NP_061327 . "NSFL1 cofactor p47 isoform b [Homo sapiens]" . . . . . 89.22 339 100.00 100.00 1.53e-57 . . . . 6189 1 18 no SP Q5RBG3 . "RecName: Full=NSFL1 cofactor p47; AltName: Full=p97 cofactor p47 [Pongo abelii]" . . . . . 98.04 370 100.00 100.00 7.39e-64 . . . . 6189 1 19 no SP Q9UNZ2 . "RecName: Full=NSFL1 cofactor p47; AltName: Full=UBX domain-containing protein 2C; AltName: Full=p97 cofactor p47 [Homo sapiens]" . . . . . 98.04 370 100.00 100.00 7.39e-64 . . . . 6189 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'NSFL1 cofactor p47' common 6189 1 'NSFL1 cofactor p47' abbreviation 6189 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 1 GLY . 6189 1 2 2 SER . 6189 1 3 3 GLU . 6189 1 4 4 LYS . 6189 1 5 5 ARG . 6189 1 6 6 GLN . 6189 1 7 7 HIS . 6189 1 8 8 SER . 6189 1 9 9 SER . 6189 1 10 10 GLN . 6189 1 11 11 ASP . 6189 1 12 12 VAL . 6189 1 13 13 HIS . 6189 1 14 14 VAL . 6189 1 15 15 VAL . 6189 1 16 16 LEU . 6189 1 17 17 LYS . 6189 1 18 18 LEU . 6189 1 19 19 TRP . 6189 1 20 20 LYS . 6189 1 21 21 SER . 6189 1 22 22 GLY . 6189 1 23 23 PHE . 6189 1 24 24 SER . 6189 1 25 25 LEU . 6189 1 26 26 ASP . 6189 1 27 27 ASN . 6189 1 28 28 GLY . 6189 1 29 29 GLU . 6189 1 30 30 LEU . 6189 1 31 31 ARG . 6189 1 32 32 SER . 6189 1 33 33 TYR . 6189 1 34 34 GLN . 6189 1 35 35 ASP . 6189 1 36 36 PRO . 6189 1 37 37 SER . 6189 1 38 38 ASN . 6189 1 39 39 ALA . 6189 1 40 40 GLN . 6189 1 41 41 PHE . 6189 1 42 42 LEU . 6189 1 43 43 GLU . 6189 1 44 44 SER . 6189 1 45 45 ILE . 6189 1 46 46 ARG . 6189 1 47 47 ARG . 6189 1 48 48 GLY . 6189 1 49 49 GLU . 6189 1 50 50 VAL . 6189 1 51 51 PRO . 6189 1 52 52 ALA . 6189 1 53 53 GLU . 6189 1 54 54 LEU . 6189 1 55 55 ARG . 6189 1 56 56 ARG . 6189 1 57 57 LEU . 6189 1 58 58 ALA . 6189 1 59 59 HIS . 6189 1 60 60 GLY . 6189 1 61 61 GLY . 6189 1 62 62 GLN . 6189 1 63 63 VAL . 6189 1 64 64 ASN . 6189 1 65 65 LEU . 6189 1 66 66 ASP . 6189 1 67 67 MET . 6189 1 68 68 GLU . 6189 1 69 69 ASP . 6189 1 70 70 HIS . 6189 1 71 71 ARG . 6189 1 72 72 ASP . 6189 1 73 73 GLU . 6189 1 74 74 ASP . 6189 1 75 75 PHE . 6189 1 76 76 VAL . 6189 1 77 77 LYS . 6189 1 78 78 PRO . 6189 1 79 79 LYS . 6189 1 80 80 GLY . 6189 1 81 81 ALA . 6189 1 82 82 PHE . 6189 1 83 83 LYS . 6189 1 84 84 ALA . 6189 1 85 85 PHE . 6189 1 86 86 THR . 6189 1 87 87 GLY . 6189 1 88 88 GLU . 6189 1 89 89 GLY . 6189 1 90 90 GLN . 6189 1 91 91 LYS . 6189 1 92 92 LEU . 6189 1 93 93 GLY . 6189 1 94 94 SER . 6189 1 95 95 THR . 6189 1 96 96 ALA . 6189 1 97 97 PRO . 6189 1 98 98 GLN . 6189 1 99 99 VAL . 6189 1 100 100 LEU . 6189 1 101 101 SER . 6189 1 102 102 THR . 6189 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 6189 1 . SER 2 2 6189 1 . GLU 3 3 6189 1 . LYS 4 4 6189 1 . ARG 5 5 6189 1 . GLN 6 6 6189 1 . HIS 7 7 6189 1 . SER 8 8 6189 1 . SER 9 9 6189 1 . GLN 10 10 6189 1 . ASP 11 11 6189 1 . VAL 12 12 6189 1 . HIS 13 13 6189 1 . VAL 14 14 6189 1 . VAL 15 15 6189 1 . LEU 16 16 6189 1 . LYS 17 17 6189 1 . LEU 18 18 6189 1 . TRP 19 19 6189 1 . LYS 20 20 6189 1 . SER 21 21 6189 1 . GLY 22 22 6189 1 . PHE 23 23 6189 1 . SER 24 24 6189 1 . LEU 25 25 6189 1 . ASP 26 26 6189 1 . ASN 27 27 6189 1 . GLY 28 28 6189 1 . GLU 29 29 6189 1 . LEU 30 30 6189 1 . ARG 31 31 6189 1 . SER 32 32 6189 1 . TYR 33 33 6189 1 . GLN 34 34 6189 1 . ASP 35 35 6189 1 . PRO 36 36 6189 1 . SER 37 37 6189 1 . ASN 38 38 6189 1 . ALA 39 39 6189 1 . GLN 40 40 6189 1 . PHE 41 41 6189 1 . LEU 42 42 6189 1 . GLU 43 43 6189 1 . SER 44 44 6189 1 . ILE 45 45 6189 1 . ARG 46 46 6189 1 . ARG 47 47 6189 1 . GLY 48 48 6189 1 . GLU 49 49 6189 1 . VAL 50 50 6189 1 . PRO 51 51 6189 1 . ALA 52 52 6189 1 . GLU 53 53 6189 1 . LEU 54 54 6189 1 . ARG 55 55 6189 1 . ARG 56 56 6189 1 . LEU 57 57 6189 1 . ALA 58 58 6189 1 . HIS 59 59 6189 1 . GLY 60 60 6189 1 . GLY 61 61 6189 1 . GLN 62 62 6189 1 . VAL 63 63 6189 1 . ASN 64 64 6189 1 . LEU 65 65 6189 1 . ASP 66 66 6189 1 . MET 67 67 6189 1 . GLU 68 68 6189 1 . ASP 69 69 6189 1 . HIS 70 70 6189 1 . ARG 71 71 6189 1 . ASP 72 72 6189 1 . GLU 73 73 6189 1 . ASP 74 74 6189 1 . PHE 75 75 6189 1 . VAL 76 76 6189 1 . LYS 77 77 6189 1 . PRO 78 78 6189 1 . LYS 79 79 6189 1 . GLY 80 80 6189 1 . ALA 81 81 6189 1 . PHE 82 82 6189 1 . LYS 83 83 6189 1 . ALA 84 84 6189 1 . PHE 85 85 6189 1 . THR 86 86 6189 1 . GLY 87 87 6189 1 . GLU 88 88 6189 1 . GLY 89 89 6189 1 . GLN 90 90 6189 1 . LYS 91 91 6189 1 . LEU 92 92 6189 1 . GLY 93 93 6189 1 . SER 94 94 6189 1 . THR 95 95 6189 1 . ALA 96 96 6189 1 . PRO 97 97 6189 1 . GLN 98 98 6189 1 . VAL 99 99 6189 1 . LEU 100 100 6189 1 . SER 101 101 6189 1 . THR 102 102 6189 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 6189 _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 $NSFL1_cofactor_p47 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6189 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 6189 _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 $NSFL1_cofactor_p47 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6189 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6189 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NSFL1 cofactor p47' [U-15N] . . 1 $NSFL1_cofactor_p47 . . 2 . . mM . . . . 6189 1 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 6189 1 3 'sodium chloride' . . . . . . . 100 . . mM . . . . 6189 1 4 H2O . . . . . . . 90 . . % . . . . 6189 1 5 D2O . . . . . . . 10 . . % . . . . 6189 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6189 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NSFL1 cofactor p47' '[U-15N; U-13C]' . . 1 $NSFL1_cofactor_p47 . . 1 . . mM . . . . 6189 2 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 6189 2 3 'sodium chloride' . . . . . . . 100 . . mM . . . . 6189 2 4 H2O . . . . . . . 90 . . % . . . . 6189 2 5 D2O . . . . . . . 10 . . % . . . . 6189 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6189 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NSFL1 cofactor p47' '[U-15N; U-13C]' . . 1 $NSFL1_cofactor_p47 . . 1 . . mM . . . . 6189 3 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 6189 3 3 'sodium chloride' . . . . . . . 100 . . mM . . . . 6189 3 4 D2O . . . . . . . 100 . . % . . . . 6189 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6189 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.6 . pH 6189 1 temperature 300 . K 6189 1 'ionic strength' 120 . mM 6189 1 pressure 1 . atm 6189 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6189 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 6189 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6189 1 stop_ save_ save_Paste-Papst _Software.Sf_category software _Software.Sf_framecode Paste-Papst _Software.Entry_ID 6189 _Software.ID 2 _Software.Name Paste-Papst _Software.Version 1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Labudde,D., Leitner,D.' . . 6189 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6189 2 stop_ save_ save_Platon _Software.Sf_category software _Software.Sf_framecode Platon _Software.Entry_ID 6189 _Software.ID 3 _Software.Name Platon _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Labudde,D., Leitner,D.' . . 6189 3 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6189 _Software.ID 4 _Software.Name Sparky _Software.Version 3.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6189 4 stop_ save_ save_Aria-CNS _Software.Sf_category software _Software.Sf_framecode Aria-CNS _Software.Entry_ID 6189 _Software.ID 5 _Software.Name Aria-CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Nilges. M.' . . 6189 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6189 5 refinement 6189 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6189 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6189 _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 NMR_spectrometer Bruker DRX . 600 . . . 6189 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 6189 _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 NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6189 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6189 1 3 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6189 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6189 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6189 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.10132905 . . . 1 $entry_citation . . 1 $entry_citation 6189 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.25144952 . . . 1 $entry_citation . . 1 $entry_citation 6189 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6189 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6189 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY CA C 13 43.406 0.1 . 1 . . . . 1 . . . 6189 1 2 . 1 1 1 1 GLY HA2 H 1 3.886 0.04 . 1 . . . . 1 . . . 6189 1 3 . 1 1 2 2 SER CA C 13 58.324 0.1 . 1 . . . . 2 . . . 6189 1 4 . 1 1 2 2 SER CB C 13 63.723 0.1 . 1 . . . . 2 . . . 6189 1 5 . 1 1 2 2 SER HA H 1 4.448 0.04 . 1 . . . . 2 . . . 6189 1 6 . 1 1 2 2 SER HB2 H 1 3.844 0.04 . 1 . . . . 2 . . . 6189 1 7 . 1 1 2 2 SER H H 1 8.696 0.04 . 1 . . . . 2 . . . 6189 1 8 . 1 1 2 2 SER N N 15 116.067 0.1 . 1 . . . . 2 . . . 6189 1 9 . 1 1 3 3 GLU CA C 13 56.817 0.1 . 1 . . . . 3 . . . 6189 1 10 . 1 1 3 3 GLU CB C 13 29.775 0.1 . 1 . . . . 3 . . . 6189 1 11 . 1 1 3 3 GLU CG C 13 36.015 0.1 . 1 . . . . 3 . . . 6189 1 12 . 1 1 3 3 GLU HA H 1 4.260 0.04 . 1 . . . . 3 . . . 6189 1 13 . 1 1 3 3 GLU HB2 H 1 2.013 0.04 . 1 . . . . 3 . . . 6189 1 14 . 1 1 3 3 GLU HB3 H 1 1.918 0.04 . 1 . . . . 3 . . . 6189 1 15 . 1 1 3 3 GLU HG2 H 1 2.171 0.04 . 1 . . . . 3 . . . 6189 1 16 . 1 1 3 3 GLU HG3 H 1 2.311 0.04 . 1 . . . . 3 . . . 6189 1 17 . 1 1 3 3 GLU H H 1 8.751 0.04 . 1 . . . . 3 . . . 6189 1 18 . 1 1 3 3 GLU N N 15 123.398 0.1 . 1 . . . . 3 . . . 6189 1 19 . 1 1 4 4 LYS CA C 13 56.152 0.1 . 1 . . . . 4 . . . 6189 1 20 . 1 1 4 4 LYS CB C 13 32.776 0.1 . 1 . . . . 4 . . . 6189 1 21 . 1 1 4 4 LYS CD C 13 29.012 0.1 . 1 . . . . 4 . . . 6189 1 22 . 1 1 4 4 LYS CE C 13 41.907 0.1 . 1 . . . . 4 . . . 6189 1 23 . 1 1 4 4 LYS CG C 13 24.785 0.1 . 1 . . . . 4 . . . 6189 1 24 . 1 1 4 4 LYS HA H 1 4.260 0.04 . 1 . . . . 4 . . . 6189 1 25 . 1 1 4 4 LYS HB2 H 1 1.773 0.04 . 1 . . . . 4 . . . 6189 1 26 . 1 1 4 4 LYS HB3 H 1 1.688 0.04 . 1 . . . . 4 . . . 6189 1 27 . 1 1 4 4 LYS HD2 H 1 1.618 0.04 . 1 . . . . 4 . . . 6189 1 28 . 1 1 4 4 LYS HE2 H 1 2.972 0.04 . 1 . . . . 4 . . . 6189 1 29 . 1 1 4 4 LYS HG2 H 1 1.392 0.04 . 1 . . . . 4 . . . 6189 1 30 . 1 1 4 4 LYS H H 1 8.376 0.04 . 1 . . . . 4 . . . 6189 1 31 . 1 1 4 4 LYS N N 15 122.856 0.1 . 1 . . . . 4 . . . 6189 1 32 . 1 1 5 5 ARG CA C 13 55.900 0.1 . 1 . . . . 5 . . . 6189 1 33 . 1 1 5 5 ARG CB C 13 30.772 0.1 . 1 . . . . 5 . . . 6189 1 34 . 1 1 5 5 ARG CD C 13 43.272 0.1 . 1 . . . . 5 . . . 6189 1 35 . 1 1 5 5 ARG CG C 13 27.051 0.1 . 1 . . . . 5 . . . 6189 1 36 . 1 1 5 5 ARG HA H 1 4.284 0.04 . 1 . . . . 5 . . . 6189 1 37 . 1 1 5 5 ARG HB2 H 1 1.754 0.04 . 1 . . . . 5 . . . 6189 1 38 . 1 1 5 5 ARG HB3 H 1 1.714 0.04 . 1 . . . . 5 . . . 6189 1 39 . 1 1 5 5 ARG HD2 H 1 3.134 0.04 . 1 . . . . 5 . . . 6189 1 40 . 1 1 5 5 ARG HG3 H 1 1.564 0.04 . 1 . . . . 5 . . . 6189 1 41 . 1 1 5 5 ARG H H 1 8.329 0.04 . 1 . . . . 5 . . . 6189 1 42 . 1 1 5 5 ARG N N 15 122.603 0.1 . 1 . . . . 5 . . . 6189 1 43 . 1 1 6 6 GLN CA C 13 55.822 0.1 . 1 . . . . 6 . . . 6189 1 44 . 1 1 6 6 GLN CB C 13 29.553 0.1 . 1 . . . . 6 . . . 6189 1 45 . 1 1 6 6 GLN CG C 13 33.839 0.1 . 1 . . . . 6 . . . 6189 1 46 . 1 1 6 6 GLN H H 1 8.442 0.04 . 1 . . . . 6 . . . 6189 1 47 . 1 1 6 6 GLN N N 15 121.891 0.1 . 1 . . . . 6 . . . 6189 1 48 . 1 1 7 7 HIS CA C 13 55.533 0.1 . 1 . . . . 7 . . . 6189 1 49 . 1 1 7 7 HIS CB C 13 29.718 0.1 . 1 . . . . 7 . . . 6189 1 50 . 1 1 7 7 HIS HA H 1 4.693 0.04 . 1 . . . . 7 . . . 6189 1 51 . 1 1 7 7 HIS HB2 H 1 3.193 0.04 . 1 . . . . 7 . . . 6189 1 52 . 1 1 7 7 HIS HB3 H 1 3.111 0.04 . 1 . . . . 7 . . . 6189 1 53 . 1 1 7 7 HIS H H 1 8.353 0.04 . 1 . . . . 7 . . . 6189 1 54 . 1 1 7 7 HIS N N 15 122.905 0.1 . 1 . . . . 7 . . . 6189 1 55 . 1 1 8 8 SER CA C 13 58.084 0.1 . 1 . . . . 8 . . . 6189 1 56 . 1 1 8 8 SER CB C 13 64.152 0.1 . 1 . . . . 8 . . . 6189 1 57 . 1 1 8 8 SER HA H 1 4.514 0.04 . 1 . . . . 8 . . . 6189 1 58 . 1 1 8 8 SER HB2 H 1 3.873 0.04 . 1 . . . . 8 . . . 6189 1 59 . 1 1 8 8 SER HB3 H 1 3.837 0.04 . 1 . . . . 8 . . . 6189 1 60 . 1 1 8 8 SER H H 1 8.444 0.04 . 1 . . . . 8 . . . 6189 1 61 . 1 1 8 8 SER N N 15 117.624 0.1 . 1 . . . . 8 . . . 6189 1 62 . 1 1 9 9 SER CA C 13 58.891 0.1 . 1 . . . . 9 . . . 6189 1 63 . 1 1 9 9 SER CB C 13 63.712 0.1 . 1 . . . . 9 . . . 6189 1 64 . 1 1 9 9 SER HA H 1 4.445 0.04 . 1 . . . . 9 . . . 6189 1 65 . 1 1 9 9 SER HB2 H 1 3.867 0.04 . 1 . . . . 9 . . . 6189 1 66 . 1 1 9 9 SER H H 1 8.533 0.04 . 1 . . . . 9 . . . 6189 1 67 . 1 1 9 9 SER N N 15 118.424 0.1 . 1 . . . . 9 . . . 6189 1 68 . 1 1 10 10 GLN CA C 13 55.600 0.1 . 1 . . . . 10 . . . 6189 1 69 . 1 1 10 10 GLN CB C 13 29.767 0.1 . 1 . . . . 10 . . . 6189 1 70 . 1 1 10 10 GLN CG C 13 33.949 0.1 . 1 . . . . 10 . . . 6189 1 71 . 1 1 10 10 GLN HA H 1 4.395 0.04 . 1 . . . . 10 . . . 6189 1 72 . 1 1 10 10 GLN HB2 H 1 2.155 0.04 . 1 . . . . 10 . . . 6189 1 73 . 1 1 10 10 GLN HB3 H 1 1.894 0.04 . 1 . . . . 10 . . . 6189 1 74 . 1 1 10 10 GLN HE21 H 1 7.588 0.04 . 1 . . . . 10 . . . 6189 1 75 . 1 1 10 10 GLN HE22 H 1 6.888 0.04 . 1 . . . . 10 . . . 6189 1 76 . 1 1 10 10 GLN HG2 H 1 2.329 0.04 . 1 . . . . 10 . . . 6189 1 77 . 1 1 10 10 GLN HG3 H 1 2.479 0.04 . 1 . . . . 10 . . . 6189 1 78 . 1 1 10 10 GLN H H 1 8.378 0.04 . 1 . . . . 10 . . . 6189 1 79 . 1 1 10 10 GLN N N 15 121.232 0.1 . 1 . . . . 10 . . . 6189 1 80 . 1 1 10 10 GLN NE2 N 15 112.240 0.1 . 1 . . . . 10 . . . 6189 1 81 . 1 1 11 11 ASP CA C 13 54.341 0.1 . 1 . . . . 11 . . . 6189 1 82 . 1 1 11 11 ASP CB C 13 41.341 0.1 . 1 . . . . 11 . . . 6189 1 83 . 1 1 11 11 ASP HA H 1 4.848 0.04 . 1 . . . . 11 . . . 6189 1 84 . 1 1 11 11 ASP HB2 H 1 2.534 0.04 . 1 . . . . 11 . . . 6189 1 85 . 1 1 11 11 ASP H H 1 7.986 0.04 . 1 . . . . 11 . . . 6189 1 86 . 1 1 11 11 ASP N N 15 121.502 0.1 . 1 . . . . 11 . . . 6189 1 87 . 1 1 12 12 VAL CA C 13 61.454 0.1 . 1 . . . . 12 . . . 6189 1 88 . 1 1 12 12 VAL CB C 13 34.428 0.1 . 1 . . . . 12 . . . 6189 1 89 . 1 1 12 12 VAL CG1 C 13 21.370 0.1 . 1 . . . . 12 . . . 6189 1 90 . 1 1 12 12 VAL CG2 C 13 21.152 0.1 . 1 . . . . 12 . . . 6189 1 91 . 1 1 12 12 VAL HA H 1 4.310 0.04 . 1 . . . . 12 . . . 6189 1 92 . 1 1 12 12 VAL HB H 1 1.927 0.04 . 1 . . . . 12 . . . 6189 1 93 . 1 1 12 12 VAL HG11 H 1 0.898 0.04 . 1 . . . . 12 . . . 6189 1 94 . 1 1 12 12 VAL HG12 H 1 0.898 0.04 . 1 . . . . 12 . . . 6189 1 95 . 1 1 12 12 VAL HG13 H 1 0.898 0.04 . 1 . . . . 12 . . . 6189 1 96 . 1 1 12 12 VAL HG21 H 1 0.878 0.04 . 1 . . . . 12 . . . 6189 1 97 . 1 1 12 12 VAL HG22 H 1 0.878 0.04 . 1 . . . . 12 . . . 6189 1 98 . 1 1 12 12 VAL HG23 H 1 0.878 0.04 . 1 . . . . 12 . . . 6189 1 99 . 1 1 12 12 VAL H H 1 8.458 0.04 . 1 . . . . 12 . . . 6189 1 100 . 1 1 12 12 VAL N N 15 120.668 0.1 . 1 . . . . 12 . . . 6189 1 101 . 1 1 13 13 HIS CA C 13 54.143 0.1 . 1 . . . . 13 . . . 6189 1 102 . 1 1 13 13 HIS CB C 13 30.096 0.1 . 1 . . . . 13 . . . 6189 1 103 . 1 1 13 13 HIS CD2 C 13 119.856 0.1 . 1 . . . . 13 . . . 6189 1 104 . 1 1 13 13 HIS HA H 1 5.508 0.04 . 1 . . . . 13 . . . 6189 1 105 . 1 1 13 13 HIS HB2 H 1 3.142 0.04 . 1 . . . . 13 . . . 6189 1 106 . 1 1 13 13 HIS HD2 H 1 7.174 0.04 . 1 . . . . 13 . . . 6189 1 107 . 1 1 13 13 HIS H H 1 8.947 0.04 . 1 . . . . 13 . . . 6189 1 108 . 1 1 13 13 HIS N N 15 126.520 0.1 . 1 . . . . 13 . . . 6189 1 109 . 1 1 14 14 VAL CA C 13 60.422 0.1 . 1 . . . . 14 . . . 6189 1 110 . 1 1 14 14 VAL CB C 13 35.770 0.1 . 1 . . . . 14 . . . 6189 1 111 . 1 1 14 14 VAL CG1 C 13 21.434 0.1 . 1 . . . . 14 . . . 6189 1 112 . 1 1 14 14 VAL CG2 C 13 21.433 0.1 . 1 . . . . 14 . . . 6189 1 113 . 1 1 14 14 VAL HA H 1 4.606 0.04 . 1 . . . . 14 . . . 6189 1 114 . 1 1 14 14 VAL HB H 1 1.739 0.04 . 1 . . . . 14 . . . 6189 1 115 . 1 1 14 14 VAL HG11 H 1 0.882 0.04 . 1 . . . . 14 . . . 6189 1 116 . 1 1 14 14 VAL HG12 H 1 0.882 0.04 . 1 . . . . 14 . . . 6189 1 117 . 1 1 14 14 VAL HG13 H 1 0.882 0.04 . 1 . . . . 14 . . . 6189 1 118 . 1 1 14 14 VAL HG21 H 1 0.876 0.04 . 1 . . . . 14 . . . 6189 1 119 . 1 1 14 14 VAL HG22 H 1 0.876 0.04 . 1 . . . . 14 . . . 6189 1 120 . 1 1 14 14 VAL HG23 H 1 0.876 0.04 . 1 . . . . 14 . . . 6189 1 121 . 1 1 14 14 VAL H H 1 8.474 0.04 . 1 . . . . 14 . . . 6189 1 122 . 1 1 14 14 VAL N N 15 126.964 0.1 . 1 . . . . 14 . . . 6189 1 123 . 1 1 15 15 VAL CA C 13 61.211 0.1 . 1 . . . . 15 . . . 6189 1 124 . 1 1 15 15 VAL CB C 13 32.789 0.1 . 1 . . . . 15 . . . 6189 1 125 . 1 1 15 15 VAL CG1 C 13 21.574 0.1 . 1 . . . . 15 . . . 6189 1 126 . 1 1 15 15 VAL CG2 C 13 21.719 0.1 . 1 . . . . 15 . . . 6189 1 127 . 1 1 15 15 VAL HA H 1 4.541 0.04 . 1 . . . . 15 . . . 6189 1 128 . 1 1 15 15 VAL HB H 1 2.028 0.04 . 1 . . . . 15 . . . 6189 1 129 . 1 1 15 15 VAL HG11 H 1 0.866 0.04 . 1 . . . . 15 . . . 6189 1 130 . 1 1 15 15 VAL HG12 H 1 0.866 0.04 . 1 . . . . 15 . . . 6189 1 131 . 1 1 15 15 VAL HG13 H 1 0.866 0.04 . 1 . . . . 15 . . . 6189 1 132 . 1 1 15 15 VAL HG21 H 1 0.790 0.04 . 1 . . . . 15 . . . 6189 1 133 . 1 1 15 15 VAL HG22 H 1 0.790 0.04 . 1 . . . . 15 . . . 6189 1 134 . 1 1 15 15 VAL HG23 H 1 0.790 0.04 . 1 . . . . 15 . . . 6189 1 135 . 1 1 15 15 VAL H H 1 9.028 0.04 . 1 . . . . 15 . . . 6189 1 136 . 1 1 15 15 VAL N N 15 127.000 0.1 . 1 . . . . 15 . . . 6189 1 137 . 1 1 16 16 LEU CA C 13 53.751 0.1 . 1 . . . . 16 . . . 6189 1 138 . 1 1 16 16 LEU CB C 13 44.061 0.1 . 1 . . . . 16 . . . 6189 1 139 . 1 1 16 16 LEU CD1 C 13 25.851 0.1 . 1 . . . . 16 . . . 6189 1 140 . 1 1 16 16 LEU CD2 C 13 27.035 0.1 . 1 . . . . 16 . . . 6189 1 141 . 1 1 16 16 LEU CG C 13 28.003 0.1 . 1 . . . . 16 . . . 6189 1 142 . 1 1 16 16 LEU HA H 1 5.035 0.04 . 1 . . . . 16 . . . 6189 1 143 . 1 1 16 16 LEU HB2 H 1 1.995 0.04 . 1 . . . . 16 . . . 6189 1 144 . 1 1 16 16 LEU HB3 H 1 1.240 0.04 . 1 . . . . 16 . . . 6189 1 145 . 1 1 16 16 LEU HD11 H 1 0.985 0.04 . 1 . . . . 16 . . . 6189 1 146 . 1 1 16 16 LEU HD12 H 1 0.985 0.04 . 1 . . . . 16 . . . 6189 1 147 . 1 1 16 16 LEU HD13 H 1 0.985 0.04 . 1 . . . . 16 . . . 6189 1 148 . 1 1 16 16 LEU HD21 H 1 0.865 0.04 . 1 . . . . 16 . . . 6189 1 149 . 1 1 16 16 LEU HD22 H 1 0.865 0.04 . 1 . . . . 16 . . . 6189 1 150 . 1 1 16 16 LEU HD23 H 1 0.865 0.04 . 1 . . . . 16 . . . 6189 1 151 . 1 1 16 16 LEU HG H 1 1.545 0.04 . 1 . . . . 16 . . . 6189 1 152 . 1 1 16 16 LEU H H 1 9.066 0.04 . 1 . . . . 16 . . . 6189 1 153 . 1 1 16 16 LEU N N 15 131.288 0.1 . 1 . . . . 16 . . . 6189 1 154 . 1 1 17 17 LYS CA C 13 55.312 0.1 . 1 . . . . 17 . . . 6189 1 155 . 1 1 17 17 LYS CB C 13 33.628 0.1 . 1 . . . . 17 . . . 6189 1 156 . 1 1 17 17 LYS CD C 13 30.640 0.1 . 1 . . . . 17 . . . 6189 1 157 . 1 1 17 17 LYS CG C 13 26.784 0.1 . 1 . . . . 17 . . . 6189 1 158 . 1 1 17 17 LYS HA H 1 4.902 0.04 . 1 . . . . 17 . . . 6189 1 159 . 1 1 17 17 LYS HB2 H 1 2.278 0.04 . 1 . . . . 17 . . . 6189 1 160 . 1 1 17 17 LYS HB3 H 1 0.859 0.04 . 1 . . . . 17 . . . 6189 1 161 . 1 1 17 17 LYS HD2 H 1 1.802 0.04 . 1 . . . . 17 . . . 6189 1 162 . 1 1 17 17 LYS HD3 H 1 1.642 0.04 . 1 . . . . 17 . . . 6189 1 163 . 1 1 17 17 LYS HE2 H 1 2.903 0.04 . 1 . . . . 17 . . . 6189 1 164 . 1 1 17 17 LYS HG2 H 1 1.413 0.04 . 1 . . . . 17 . . . 6189 1 165 . 1 1 17 17 LYS HG3 H 1 1.148 0.04 . 1 . . . . 17 . . . 6189 1 166 . 1 1 17 17 LYS H H 1 9.607 0.04 . 1 . . . . 17 . . . 6189 1 167 . 1 1 17 17 LYS N N 15 127.573 0.1 . 1 . . . . 17 . . . 6189 1 168 . 1 1 18 18 LEU CA C 13 53.939 0.1 . 1 . . . . 18 . . . 6189 1 169 . 1 1 18 18 LEU CB C 13 42.545 0.1 . 1 . . . . 18 . . . 6189 1 170 . 1 1 18 18 LEU CD1 C 13 25.652 0.1 . 1 . . . . 18 . . . 6189 1 171 . 1 1 18 18 LEU CD2 C 13 23.280 0.1 . 1 . . . . 18 . . . 6189 1 172 . 1 1 18 18 LEU CG C 13 26.843 0.1 . 1 . . . . 18 . . . 6189 1 173 . 1 1 18 18 LEU HA H 1 4.679 0.04 . 1 . . . . 18 . . . 6189 1 174 . 1 1 18 18 LEU HB2 H 1 1.864 0.04 . 1 . . . . 18 . . . 6189 1 175 . 1 1 18 18 LEU HB3 H 1 1.592 0.04 . 1 . . . . 18 . . . 6189 1 176 . 1 1 18 18 LEU HD11 H 1 0.943 0.04 . 1 . . . . 18 . . . 6189 1 177 . 1 1 18 18 LEU HD12 H 1 0.943 0.04 . 1 . . . . 18 . . . 6189 1 178 . 1 1 18 18 LEU HD13 H 1 0.943 0.04 . 1 . . . . 18 . . . 6189 1 179 . 1 1 18 18 LEU HD21 H 1 0.848 0.04 . 1 . . . . 18 . . . 6189 1 180 . 1 1 18 18 LEU HD22 H 1 0.848 0.04 . 1 . . . . 18 . . . 6189 1 181 . 1 1 18 18 LEU HD23 H 1 0.848 0.04 . 1 . . . . 18 . . . 6189 1 182 . 1 1 18 18 LEU HG H 1 1.800 0.04 . 1 . . . . 18 . . . 6189 1 183 . 1 1 18 18 LEU H H 1 8.015 0.04 . 1 . . . . 18 . . . 6189 1 184 . 1 1 18 18 LEU N N 15 122.481 0.1 . 1 . . . . 18 . . . 6189 1 185 . 1 1 19 19 TRP CA C 13 55.334 0.1 . 1 . . . . 19 . . . 6189 1 186 . 1 1 19 19 TRP CB C 13 30.834 0.1 . 1 . . . . 19 . . . 6189 1 187 . 1 1 19 19 TRP CD1 C 13 127.749 0.1 . 1 . . . . 19 . . . 6189 1 188 . 1 1 19 19 TRP CE3 C 13 122.202 0.1 . 1 . . . . 19 . . . 6189 1 189 . 1 1 19 19 TRP CH2 C 13 123.751 0.1 . 1 . . . . 19 . . . 6189 1 190 . 1 1 19 19 TRP CZ2 C 13 114.024 0.1 . 1 . . . . 19 . . . 6189 1 191 . 1 1 19 19 TRP CZ3 C 13 122.205 0.1 . 1 . . . . 19 . . . 6189 1 192 . 1 1 19 19 TRP HA H 1 5.258 0.04 . 1 . . . . 19 . . . 6189 1 193 . 1 1 19 19 TRP HB2 H 1 3.859 0.04 . 1 . . . . 19 . . . 6189 1 194 . 1 1 19 19 TRP HB3 H 1 3.162 0.04 . 1 . . . . 19 . . . 6189 1 195 . 1 1 19 19 TRP HD1 H 1 6.724 0.04 . 1 . . . . 19 . . . 6189 1 196 . 1 1 19 19 TRP HE1 H 1 10.368 0.04 . 1 . . . . 19 . . . 6189 1 197 . 1 1 19 19 TRP HE3 H 1 7.703 0.04 . 1 . . . . 19 . . . 6189 1 198 . 1 1 19 19 TRP HH2 H 1 6.768 0.04 . 1 . . . . 19 . . . 6189 1 199 . 1 1 19 19 TRP H H 1 8.778 0.04 . 1 . . . . 19 . . . 6189 1 200 . 1 1 19 19 TRP HZ2 H 1 7.157 0.04 . 1 . . . . 19 . . . 6189 1 201 . 1 1 19 19 TRP HZ3 H 1 6.878 0.04 . 1 . . . . 19 . . . 6189 1 202 . 1 1 19 19 TRP N N 15 121.827 0.1 . 1 . . . . 19 . . . 6189 1 203 . 1 1 19 19 TRP NE1 N 15 129.756 0.1 . 1 . . . . 19 . . . 6189 1 204 . 1 1 20 20 LYS CA C 13 61.172 0.1 . 1 . . . . 20 . . . 6189 1 205 . 1 1 20 20 LYS CB C 13 32.794 0.1 . 1 . . . . 20 . . . 6189 1 206 . 1 1 20 20 LYS CD C 13 29.459 0.1 . 1 . . . . 20 . . . 6189 1 207 . 1 1 20 20 LYS CG C 13 24.937 0.1 . 1 . . . . 20 . . . 6189 1 208 . 1 1 20 20 LYS HA H 1 4.469 0.04 . 1 . . . . 20 . . . 6189 1 209 . 1 1 20 20 LYS HB2 H 1 1.856 0.04 . 1 . . . . 20 . . . 6189 1 210 . 1 1 20 20 LYS HB3 H 1 1.794 0.04 . 1 . . . . 20 . . . 6189 1 211 . 1 1 20 20 LYS HD2 H 1 1.603 0.04 . 1 . . . . 20 . . . 6189 1 212 . 1 1 20 20 LYS HE2 H 1 2.905 0.04 . 1 . . . . 20 . . . 6189 1 213 . 1 1 20 20 LYS HG2 H 1 1.541 0.04 . 1 . . . . 20 . . . 6189 1 214 . 1 1 20 20 LYS H H 1 8.847 0.04 . 1 . . . . 20 . . . 6189 1 215 . 1 1 20 20 LYS N N 15 121.899 0.1 . 1 . . . . 20 . . . 6189 1 216 . 1 1 21 21 SER CA C 13 57.814 0.1 . 1 . . . . 21 . . . 6189 1 217 . 1 1 21 21 SER CB C 13 64.335 0.1 . 1 . . . . 21 . . . 6189 1 218 . 1 1 21 21 SER HA H 1 4.924 0.04 . 1 . . . . 21 . . . 6189 1 219 . 1 1 21 21 SER HB2 H 1 4.082 0.04 . 1 . . . . 21 . . . 6189 1 220 . 1 1 21 21 SER HB3 H 1 3.860 0.04 . 1 . . . . 21 . . . 6189 1 221 . 1 1 21 21 SER H H 1 8.205 0.04 . 1 . . . . 21 . . . 6189 1 222 . 1 1 21 21 SER N N 15 107.790 0.1 . 1 . . . . 21 . . . 6189 1 223 . 1 1 22 22 GLY CA C 13 44.753 0.1 . 1 . . . . 22 . . . 6189 1 224 . 1 1 22 22 GLY HA2 H 1 3.625 0.04 . 1 . . . . 22 . . . 6189 1 225 . 1 1 22 22 GLY HA3 H 1 2.215 0.04 . 1 . . . . 22 . . . 6189 1 226 . 1 1 22 22 GLY H H 1 7.161 0.04 . 1 . . . . 22 . . . 6189 1 227 . 1 1 22 22 GLY N N 15 113.995 0.1 . 1 . . . . 22 . . . 6189 1 228 . 1 1 23 23 PHE CA C 13 54.263 0.1 . 1 . . . . 23 . . . 6189 1 229 . 1 1 23 23 PHE CB C 13 43.280 0.1 . 1 . . . . 23 . . . 6189 1 230 . 1 1 23 23 PHE CD1 C 13 132.184 0.1 . 1 . . . . 23 . . . 6189 1 231 . 1 1 23 23 PHE CE1 C 13 130.503 0.1 . 1 . . . . 23 . . . 6189 1 232 . 1 1 23 23 PHE HA H 1 6.231 0.04 . 1 . . . . 23 . . . 6189 1 233 . 1 1 23 23 PHE HB2 H 1 3.346 0.04 . 1 . . . . 23 . . . 6189 1 234 . 1 1 23 23 PHE HB3 H 1 2.995 0.04 . 1 . . . . 23 . . . 6189 1 235 . 1 1 23 23 PHE HD2 H 1 6.791 0.04 . 3 . . . . 23 . . . 6189 1 236 . 1 1 23 23 PHE HE2 H 1 6.481 0.04 . 3 . . . . 23 . . . 6189 1 237 . 1 1 23 23 PHE H H 1 8.582 0.04 . 1 . . . . 23 . . . 6189 1 238 . 1 1 23 23 PHE N N 15 115.172 0.1 . 1 . . . . 23 . . . 6189 1 239 . 1 1 24 24 SER CA C 13 57.006 0.1 . 1 . . . . 24 . . . 6189 1 240 . 1 1 24 24 SER CB C 13 67.519 0.1 . 1 . . . . 24 . . . 6189 1 241 . 1 1 24 24 SER HA H 1 4.732 0.04 . 1 . . . . 24 . . . 6189 1 242 . 1 1 24 24 SER HB2 H 1 3.688 0.04 . 1 . . . . 24 . . . 6189 1 243 . 1 1 24 24 SER HB3 H 1 3.381 0.04 . 1 . . . . 24 . . . 6189 1 244 . 1 1 24 24 SER H H 1 9.971 0.04 . 1 . . . . 24 . . . 6189 1 245 . 1 1 24 24 SER N N 15 114.941 0.1 . 1 . . . . 24 . . . 6189 1 246 . 1 1 25 25 LEU CA C 13 52.489 0.1 . 1 . . . . 25 . . . 6189 1 247 . 1 1 25 25 LEU CB C 13 43.063 0.1 . 1 . . . . 25 . . . 6189 1 248 . 1 1 25 25 LEU CD1 C 13 25.879 0.1 . 1 . . . . 25 . . . 6189 1 249 . 1 1 25 25 LEU CD2 C 13 25.098 0.1 . 1 . . . . 25 . . . 6189 1 250 . 1 1 25 25 LEU CG C 13 27.726 0.1 . 1 . . . . 25 . . . 6189 1 251 . 1 1 25 25 LEU HA H 1 5.435 0.04 . 1 . . . . 25 . . . 6189 1 252 . 1 1 25 25 LEU HB2 H 1 1.715 0.04 . 1 . . . . 25 . . . 6189 1 253 . 1 1 25 25 LEU HB3 H 1 1.296 0.04 . 1 . . . . 25 . . . 6189 1 254 . 1 1 25 25 LEU HD11 H 1 1.003 0.04 . 1 . . . . 25 . . . 6189 1 255 . 1 1 25 25 LEU HD12 H 1 1.003 0.04 . 1 . . . . 25 . . . 6189 1 256 . 1 1 25 25 LEU HD13 H 1 1.003 0.04 . 1 . . . . 25 . . . 6189 1 257 . 1 1 25 25 LEU HD21 H 1 1.002 0.04 . 1 . . . . 25 . . . 6189 1 258 . 1 1 25 25 LEU HD22 H 1 1.002 0.04 . 1 . . . . 25 . . . 6189 1 259 . 1 1 25 25 LEU HD23 H 1 1.002 0.04 . 1 . . . . 25 . . . 6189 1 260 . 1 1 25 25 LEU HG H 1 1.647 0.04 . 1 . . . . 25 . . . 6189 1 261 . 1 1 25 25 LEU H H 1 9.268 0.04 . 1 . . . . 25 . . . 6189 1 262 . 1 1 25 25 LEU N N 15 120.882 0.1 . 1 . . . . 25 . . . 6189 1 263 . 1 1 26 26 ASP CA C 13 56.991 0.1 . 1 . . . . 26 . . . 6189 1 264 . 1 1 26 26 ASP CB C 13 39.880 0.1 . 1 . . . . 26 . . . 6189 1 265 . 1 1 26 26 ASP HA H 1 4.223 0.04 . 1 . . . . 26 . . . 6189 1 266 . 1 1 26 26 ASP HB2 H 1 2.774 0.04 . 1 . . . . 26 . . . 6189 1 267 . 1 1 26 26 ASP H H 1 10.082 0.04 . 1 . . . . 26 . . . 6189 1 268 . 1 1 26 26 ASP N N 15 124.989 0.1 . 1 . . . . 26 . . . 6189 1 269 . 1 1 27 27 ASN CA C 13 53.052 0.1 . 1 . . . . 27 . . . 6189 1 270 . 1 1 27 27 ASN CB C 13 37.742 0.1 . 1 . . . . 27 . . . 6189 1 271 . 1 1 27 27 ASN HA H 1 5.054 0.04 . 1 . . . . 27 . . . 6189 1 272 . 1 1 27 27 ASN HB2 H 1 3.001 0.04 . 1 . . . . 27 . . . 6189 1 273 . 1 1 27 27 ASN HB3 H 1 2.778 0.04 . 1 . . . . 27 . . . 6189 1 274 . 1 1 27 27 ASN HD21 H 1 7.601 0.04 . 1 . . . . 27 . . . 6189 1 275 . 1 1 27 27 ASN HD22 H 1 6.997 0.04 . 1 . . . . 27 . . . 6189 1 276 . 1 1 27 27 ASN H H 1 8.524 0.04 . 1 . . . . 27 . . . 6189 1 277 . 1 1 27 27 ASN N N 15 123.170 0.1 . 1 . . . . 27 . . . 6189 1 278 . 1 1 27 27 ASN ND2 N 15 113.365 0.1 . 1 . . . . 27 . . . 6189 1 279 . 1 1 28 28 GLY CA C 13 44.620 0.1 . 1 . . . . 28 . . . 6189 1 280 . 1 1 28 28 GLY HA2 H 1 4.250 0.04 . 1 . . . . 28 . . . 6189 1 281 . 1 1 28 28 GLY HA3 H 1 4.077 0.04 . 1 . . . . 28 . . . 6189 1 282 . 1 1 28 28 GLY H H 1 8.670 0.04 . 1 . . . . 28 . . . 6189 1 283 . 1 1 28 28 GLY N N 15 107.235 0.1 . 1 . . . . 28 . . . 6189 1 284 . 1 1 29 29 GLU CA C 13 55.454 0.1 . 1 . . . . 29 . . . 6189 1 285 . 1 1 29 29 GLU CB C 13 30.354 0.1 . 1 . . . . 29 . . . 6189 1 286 . 1 1 29 29 GLU CG C 13 35.807 0.1 . 1 . . . . 29 . . . 6189 1 287 . 1 1 29 29 GLU HA H 1 4.067 0.04 . 1 . . . . 29 . . . 6189 1 288 . 1 1 29 29 GLU HB2 H 1 1.915 0.04 . 1 . . . . 29 . . . 6189 1 289 . 1 1 29 29 GLU HB3 H 1 1.722 0.04 . 1 . . . . 29 . . . 6189 1 290 . 1 1 29 29 GLU HG2 H 1 2.189 0.04 . 1 . . . . 29 . . . 6189 1 291 . 1 1 29 29 GLU HG3 H 1 2.126 0.04 . 1 . . . . 29 . . . 6189 1 292 . 1 1 29 29 GLU H H 1 8.208 0.04 . 1 . . . . 29 . . . 6189 1 293 . 1 1 29 29 GLU N N 15 115.880 0.1 . 1 . . . . 29 . . . 6189 1 294 . 1 1 30 30 LEU CA C 13 55.248 0.1 . 1 . . . . 30 . . . 6189 1 295 . 1 1 30 30 LEU CB C 13 41.160 0.1 . 1 . . . . 30 . . . 6189 1 296 . 1 1 30 30 LEU CD1 C 13 24.875 0.1 . 1 . . . . 30 . . . 6189 1 297 . 1 1 30 30 LEU CD2 C 13 22.528 0.1 . 1 . . . . 30 . . . 6189 1 298 . 1 1 30 30 LEU CG C 13 26.322 0.1 . 1 . . . . 30 . . . 6189 1 299 . 1 1 30 30 LEU HA H 1 3.138 0.04 . 1 . . . . 30 . . . 6189 1 300 . 1 1 30 30 LEU HB2 H 1 0.964 0.04 . 1 . . . . 30 . . . 6189 1 301 . 1 1 30 30 LEU HB3 H 1 -0.435 0.04 . 1 . . . . 30 . . . 6189 1 302 . 1 1 30 30 LEU HD11 H 1 0.337 0.04 . 1 . . . . 30 . . . 6189 1 303 . 1 1 30 30 LEU HD12 H 1 0.337 0.04 . 1 . . . . 30 . . . 6189 1 304 . 1 1 30 30 LEU HD13 H 1 0.337 0.04 . 1 . . . . 30 . . . 6189 1 305 . 1 1 30 30 LEU HD21 H 1 0.070 0.04 . 1 . . . . 30 . . . 6189 1 306 . 1 1 30 30 LEU HD22 H 1 0.070 0.04 . 1 . . . . 30 . . . 6189 1 307 . 1 1 30 30 LEU HD23 H 1 0.070 0.04 . 1 . . . . 30 . . . 6189 1 308 . 1 1 30 30 LEU HG H 1 0.720 0.04 . 1 . . . . 30 . . . 6189 1 309 . 1 1 30 30 LEU H H 1 7.279 0.04 . 1 . . . . 30 . . . 6189 1 310 . 1 1 30 30 LEU N N 15 120.690 0.1 . 1 . . . . 30 . . . 6189 1 311 . 1 1 31 31 ARG CA C 13 54.102 0.1 . 1 . . . . 31 . . . 6189 1 312 . 1 1 31 31 ARG CB C 13 28.995 0.1 . 1 . . . . 31 . . . 6189 1 313 . 1 1 31 31 ARG CD C 13 43.293 0.1 . 1 . . . . 31 . . . 6189 1 314 . 1 1 31 31 ARG CG C 13 25.188 0.1 . 1 . . . . 31 . . . 6189 1 315 . 1 1 31 31 ARG HA H 1 3.971 0.04 . 1 . . . . 31 . . . 6189 1 316 . 1 1 31 31 ARG HB2 H 1 0.719 0.04 . 1 . . . . 31 . . . 6189 1 317 . 1 1 31 31 ARG HB3 H 1 -0.139 0.04 . 1 . . . . 31 . . . 6189 1 318 . 1 1 31 31 ARG HD2 H 1 2.892 0.04 . 1 . . . . 31 . . . 6189 1 319 . 1 1 31 31 ARG HD3 H 1 2.325 0.04 . 1 . . . . 31 . . . 6189 1 320 . 1 1 31 31 ARG HG2 H 1 1.273 0.04 . 1 . . . . 31 . . . 6189 1 321 . 1 1 31 31 ARG HG3 H 1 1.120 0.04 . 1 . . . . 31 . . . 6189 1 322 . 1 1 31 31 ARG H H 1 8.999 0.04 . 1 . . . . 31 . . . 6189 1 323 . 1 1 31 31 ARG N N 15 128.726 0.1 . 1 . . . . 31 . . . 6189 1 324 . 1 1 32 32 SER CA C 13 58.484 0.1 . 1 . . . . 32 . . . 6189 1 325 . 1 1 32 32 SER CB C 13 63.724 0.1 . 1 . . . . 32 . . . 6189 1 326 . 1 1 32 32 SER HA H 1 4.209 0.04 . 1 . . . . 32 . . . 6189 1 327 . 1 1 32 32 SER HB2 H 1 3.973 0.04 . 1 . . . . 32 . . . 6189 1 328 . 1 1 32 32 SER HB3 H 1 3.684 0.04 . 1 . . . . 32 . . . 6189 1 329 . 1 1 32 32 SER H H 1 8.228 0.04 . 1 . . . . 32 . . . 6189 1 330 . 1 1 32 32 SER N N 15 116.246 0.1 . 1 . . . . 32 . . . 6189 1 331 . 1 1 33 33 TYR CA C 13 60.171 0.1 . 1 . . . . 33 . . . 6189 1 332 . 1 1 33 33 TYR CB C 13 38.289 0.1 . 1 . . . . 33 . . . 6189 1 333 . 1 1 33 33 TYR CD1 C 13 132.083 0.1 . 1 . . . . 33 . . . 6189 1 334 . 1 1 33 33 TYR CE1 C 13 119.696 0.1 . 1 . . . . 33 . . . 6189 1 335 . 1 1 33 33 TYR HA H 1 4.579 0.04 . 1 . . . . 33 . . . 6189 1 336 . 1 1 33 33 TYR HB2 H 1 3.364 0.04 . 1 . . . . 33 . . . 6189 1 337 . 1 1 33 33 TYR HB3 H 1 2.879 0.04 . 1 . . . . 33 . . . 6189 1 338 . 1 1 33 33 TYR HD2 H 1 7.226 0.04 . 3 . . . . 33 . . . 6189 1 339 . 1 1 33 33 TYR HE2 H 1 6.926 0.04 . 3 . . . . 33 . . . 6189 1 340 . 1 1 33 33 TYR H H 1 8.164 0.04 . 1 . . . . 33 . . . 6189 1 341 . 1 1 33 33 TYR N N 15 125.114 0.1 . 1 . . . . 33 . . . 6189 1 342 . 1 1 34 34 GLN CA C 13 55.969 0.1 . 1 . . . . 34 . . . 6189 1 343 . 1 1 34 34 GLN CB C 13 29.060 0.1 . 1 . . . . 34 . . . 6189 1 344 . 1 1 34 34 GLN CG C 13 34.089 0.1 . 1 . . . . 34 . . . 6189 1 345 . 1 1 34 34 GLN HA H 1 4.288 0.04 . 1 . . . . 34 . . . 6189 1 346 . 1 1 34 34 GLN HB2 H 1 2.257 0.04 . 1 . . . . 34 . . . 6189 1 347 . 1 1 34 34 GLN HB3 H 1 1.922 0.04 . 1 . . . . 34 . . . 6189 1 348 . 1 1 34 34 GLN HG2 H 1 2.435 0.04 . 1 . . . . 34 . . . 6189 1 349 . 1 1 34 34 GLN H H 1 8.178 0.04 . 1 . . . . 34 . . . 6189 1 350 . 1 1 34 34 GLN N N 15 113.943 0.1 . 1 . . . . 34 . . . 6189 1 351 . 1 1 35 35 ASP CA C 13 51.504 0.1 . 1 . . . . 35 . . . 6189 1 352 . 1 1 35 35 ASP CB C 13 42.220 0.1 . 1 . . . . 35 . . . 6189 1 353 . 1 1 35 35 ASP HA H 1 4.909 0.04 . 1 . . . . 35 . . . 6189 1 354 . 1 1 35 35 ASP HB2 H 1 2.918 0.04 . 1 . . . . 35 . . . 6189 1 355 . 1 1 35 35 ASP HB3 H 1 2.619 0.04 . 1 . . . . 35 . . . 6189 1 356 . 1 1 35 35 ASP H H 1 6.907 0.04 . 1 . . . . 35 . . . 6189 1 357 . 1 1 35 35 ASP N N 15 121.329 0.1 . 1 . . . . 35 . . . 6189 1 358 . 1 1 36 36 PRO CA C 13 65.188 0.1 . 1 . . . . 36 . . . 6189 1 359 . 1 1 36 36 PRO CB C 13 32.196 0.1 . 1 . . . . 36 . . . 6189 1 360 . 1 1 36 36 PRO CD C 13 51.666 0.1 . 1 . . . . 36 . . . 6189 1 361 . 1 1 36 36 PRO CG C 13 27.344 0.1 . 1 . . . . 36 . . . 6189 1 362 . 1 1 36 36 PRO HA H 1 4.405 0.04 . 1 . . . . 36 . . . 6189 1 363 . 1 1 36 36 PRO HB2 H 1 2.451 0.04 . 1 . . . . 36 . . . 6189 1 364 . 1 1 36 36 PRO HB3 H 1 2.078 0.04 . 1 . . . . 36 . . . 6189 1 365 . 1 1 36 36 PRO HD2 H 1 4.165 0.04 . 1 . . . . 36 . . . 6189 1 366 . 1 1 36 36 PRO HD3 H 1 3.967 0.04 . 1 . . . . 36 . . . 6189 1 367 . 1 1 36 36 PRO HG2 H 1 2.111 0.04 . 1 . . . . 36 . . . 6189 1 368 . 1 1 37 37 SER CA C 13 61.401 0.1 . 1 . . . . 37 . . . 6189 1 369 . 1 1 37 37 SER CB C 13 62.492 0.1 . 1 . . . . 37 . . . 6189 1 370 . 1 1 37 37 SER HA H 1 4.357 0.04 . 1 . . . . 37 . . . 6189 1 371 . 1 1 37 37 SER HB2 H 1 3.899 0.04 . 1 . . . . 37 . . . 6189 1 372 . 1 1 37 37 SER H H 1 8.692 0.04 . 1 . . . . 37 . . . 6189 1 373 . 1 1 37 37 SER N N 15 115.131 0.1 . 1 . . . . 37 . . . 6189 1 374 . 1 1 38 38 ASN CA C 13 54.113 0.1 . 1 . . . . 38 . . . 6189 1 375 . 1 1 38 38 ASN CB C 13 39.096 0.1 . 1 . . . . 38 . . . 6189 1 376 . 1 1 38 38 ASN HA H 1 5.100 0.04 . 1 . . . . 38 . . . 6189 1 377 . 1 1 38 38 ASN HB2 H 1 3.114 0.04 . 1 . . . . 38 . . . 6189 1 378 . 1 1 38 38 ASN HB3 H 1 3.067 0.04 . 1 . . . . 38 . . . 6189 1 379 . 1 1 38 38 ASN HD21 H 1 8.244 0.04 . 1 . . . . 38 . . . 6189 1 380 . 1 1 38 38 ASN HD22 H 1 7.393 0.04 . 1 . . . . 38 . . . 6189 1 381 . 1 1 38 38 ASN H H 1 8.207 0.04 . 1 . . . . 38 . . . 6189 1 382 . 1 1 38 38 ASN N N 15 119.775 0.1 . 1 . . . . 38 . . . 6189 1 383 . 1 1 38 38 ASN ND2 N 15 118.159 0.1 . 1 . . . . 38 . . . 6189 1 384 . 1 1 39 39 ALA CA C 13 56.149 0.1 . 1 . . . . 39 . . . 6189 1 385 . 1 1 39 39 ALA CB C 13 18.459 0.1 . 1 . . . . 39 . . . 6189 1 386 . 1 1 39 39 ALA HA H 1 4.189 0.04 . 1 . . . . 39 . . . 6189 1 387 . 1 1 39 39 ALA HB1 H 1 1.596 0.04 . 1 . . . . 39 . . . 6189 1 388 . 1 1 39 39 ALA HB2 H 1 1.596 0.04 . 1 . . . . 39 . . . 6189 1 389 . 1 1 39 39 ALA HB3 H 1 1.596 0.04 . 1 . . . . 39 . . . 6189 1 390 . 1 1 39 39 ALA H H 1 8.030 0.04 . 1 . . . . 39 . . . 6189 1 391 . 1 1 39 39 ALA N N 15 123.721 0.1 . 1 . . . . 39 . . . 6189 1 392 . 1 1 40 40 GLN CA C 13 59.243 0.1 . 1 . . . . 40 . . . 6189 1 393 . 1 1 40 40 GLN CB C 13 28.044 0.1 . 1 . . . . 40 . . . 6189 1 394 . 1 1 40 40 GLN CG C 13 34.445 0.1 . 1 . . . . 40 . . . 6189 1 395 . 1 1 40 40 GLN HA H 1 4.092 0.04 . 1 . . . . 40 . . . 6189 1 396 . 1 1 40 40 GLN HB2 H 1 2.215 0.04 . 1 . . . . 40 . . . 6189 1 397 . 1 1 40 40 GLN HE21 H 1 7.543 0.04 . 1 . . . . 40 . . . 6189 1 398 . 1 1 40 40 GLN HE22 H 1 6.894 0.04 . 1 . . . . 40 . . . 6189 1 399 . 1 1 40 40 GLN HG2 H 1 2.537 0.04 . 1 . . . . 40 . . . 6189 1 400 . 1 1 40 40 GLN HG3 H 1 2.471 0.04 . 1 . . . . 40 . . . 6189 1 401 . 1 1 40 40 GLN H H 1 8.425 0.04 . 1 . . . . 40 . . . 6189 1 402 . 1 1 40 40 GLN N N 15 118.245 0.1 . 1 . . . . 40 . . . 6189 1 403 . 1 1 40 40 GLN NE2 N 15 112.502 0.1 . 1 . . . . 40 . . . 6189 1 404 . 1 1 41 41 PHE CA C 13 61.413 0.1 . 1 . . . . 41 . . . 6189 1 405 . 1 1 41 41 PHE CB C 13 39.304 0.1 . 1 . . . . 41 . . . 6189 1 406 . 1 1 41 41 PHE CD1 C 13 132.881 0.1 . 1 . . . . 41 . . . 6189 1 407 . 1 1 41 41 PHE CE1 C 13 128.970 0.1 . 1 . . . . 41 . . . 6189 1 408 . 1 1 41 41 PHE HA H 1 3.956 0.04 . 1 . . . . 41 . . . 6189 1 409 . 1 1 41 41 PHE HB2 H 1 3.513 0.04 . 1 . . . . 41 . . . 6189 1 410 . 1 1 41 41 PHE HB3 H 1 3.300 0.04 . 1 . . . . 41 . . . 6189 1 411 . 1 1 41 41 PHE HD2 H 1 6.945 0.04 . 3 . . . . 41 . . . 6189 1 412 . 1 1 41 41 PHE HE2 H 1 6.484 0.04 . 3 . . . . 41 . . . 6189 1 413 . 1 1 41 41 PHE H H 1 8.358 0.04 . 1 . . . . 41 . . . 6189 1 414 . 1 1 41 41 PHE N N 15 123.012 0.1 . 1 . . . . 41 . . . 6189 1 415 . 1 1 42 42 LEU CA C 13 57.442 0.1 . 1 . . . . 42 . . . 6189 1 416 . 1 1 42 42 LEU CB C 13 41.463 0.1 . 1 . . . . 42 . . . 6189 1 417 . 1 1 42 42 LEU CD1 C 13 26.127 0.1 . 1 . . . . 42 . . . 6189 1 418 . 1 1 42 42 LEU CD2 C 13 22.438 0.1 . 1 . . . . 42 . . . 6189 1 419 . 1 1 42 42 LEU HA H 1 3.865 0.04 . 1 . . . . 42 . . . 6189 1 420 . 1 1 42 42 LEU HB2 H 1 1.546 0.04 . 1 . . . . 42 . . . 6189 1 421 . 1 1 42 42 LEU HB3 H 1 1.816 0.04 . 1 . . . . 42 . . . 6189 1 422 . 1 1 42 42 LEU HD11 H 1 1.090 0.04 . 1 . . . . 42 . . . 6189 1 423 . 1 1 42 42 LEU HD12 H 1 1.090 0.04 . 1 . . . . 42 . . . 6189 1 424 . 1 1 42 42 LEU HD13 H 1 1.090 0.04 . 1 . . . . 42 . . . 6189 1 425 . 1 1 42 42 LEU HD21 H 1 0.701 0.04 . 1 . . . . 42 . . . 6189 1 426 . 1 1 42 42 LEU HD22 H 1 0.701 0.04 . 1 . . . . 42 . . . 6189 1 427 . 1 1 42 42 LEU HD23 H 1 0.701 0.04 . 1 . . . . 42 . . . 6189 1 428 . 1 1 42 42 LEU HG H 1 1.741 0.04 . 1 . . . . 42 . . . 6189 1 429 . 1 1 42 42 LEU H H 1 8.064 0.04 . 1 . . . . 42 . . . 6189 1 430 . 1 1 42 42 LEU N N 15 117.433 0.1 . 1 . . . . 42 . . . 6189 1 431 . 1 1 43 43 GLU CA C 13 59.081 0.1 . 1 . . . . 43 . . . 6189 1 432 . 1 1 43 43 GLU CB C 13 28.837 0.1 . 1 . . . . 43 . . . 6189 1 433 . 1 1 43 43 GLU CG C 13 35.733 0.1 . 1 . . . . 43 . . . 6189 1 434 . 1 1 43 43 GLU HA H 1 4.059 0.04 . 1 . . . . 43 . . . 6189 1 435 . 1 1 43 43 GLU HB2 H 1 2.098 0.04 . 1 . . . . 43 . . . 6189 1 436 . 1 1 43 43 GLU HB3 H 1 2.021 0.04 . 1 . . . . 43 . . . 6189 1 437 . 1 1 43 43 GLU HG2 H 1 2.267 0.04 . 1 . . . . 43 . . . 6189 1 438 . 1 1 43 43 GLU H H 1 8.382 0.04 . 1 . . . . 43 . . . 6189 1 439 . 1 1 43 43 GLU N N 15 121.102 0.1 . 1 . . . . 43 . . . 6189 1 440 . 1 1 44 44 SER CA C 13 63.264 0.1 . 1 . . . . 44 . . . 6189 1 441 . 1 1 44 44 SER CB C 13 62.378 0.1 . 1 . . . . 44 . . . 6189 1 442 . 1 1 44 44 SER HA H 1 3.976 0.04 . 1 . . . . 44 . . . 6189 1 443 . 1 1 44 44 SER HB2 H 1 3.853 0.04 . 1 . . . . 44 . . . 6189 1 444 . 1 1 44 44 SER HB3 H 1 3.546 0.04 . 1 . . . . 44 . . . 6189 1 445 . 1 1 44 44 SER H H 1 7.943 0.04 . 1 . . . . 44 . . . 6189 1 446 . 1 1 44 44 SER N N 15 115.475 0.1 . 1 . . . . 44 . . . 6189 1 447 . 1 1 45 45 ILE CA C 13 63.006 0.1 . 1 . . . . 45 . . . 6189 1 448 . 1 1 45 45 ILE CB C 13 36.188 0.1 . 1 . . . . 45 . . . 6189 1 449 . 1 1 45 45 ILE CD1 C 13 11.735 0.1 . 1 . . . . 45 . . . 6189 1 450 . 1 1 45 45 ILE CG1 C 13 27.577 0.1 . 1 . . . . 45 . . . 6189 1 451 . 1 1 45 45 ILE CG2 C 13 17.405 0.1 . 1 . . . . 45 . . . 6189 1 452 . 1 1 45 45 ILE HA H 1 3.807 0.04 . 1 . . . . 45 . . . 6189 1 453 . 1 1 45 45 ILE HB H 1 1.987 0.04 . 1 . . . . 45 . . . 6189 1 454 . 1 1 45 45 ILE HD11 H 1 0.444 0.04 . 1 . . . . 45 . . . 6189 1 455 . 1 1 45 45 ILE HD12 H 1 0.444 0.04 . 1 . . . . 45 . . . 6189 1 456 . 1 1 45 45 ILE HD13 H 1 0.444 0.04 . 1 . . . . 45 . . . 6189 1 457 . 1 1 45 45 ILE HG12 H 1 1.294 0.04 . 1 . . . . 45 . . . 6189 1 458 . 1 1 45 45 ILE HG13 H 1 1.148 0.04 . 1 . . . . 45 . . . 6189 1 459 . 1 1 45 45 ILE HG21 H 1 0.710 0.04 . 1 . . . . 45 . . . 6189 1 460 . 1 1 45 45 ILE HG22 H 1 0.710 0.04 . 1 . . . . 45 . . . 6189 1 461 . 1 1 45 45 ILE HG23 H 1 0.710 0.04 . 1 . . . . 45 . . . 6189 1 462 . 1 1 45 45 ILE H H 1 7.501 0.04 . 1 . . . . 45 . . . 6189 1 463 . 1 1 45 45 ILE N N 15 119.660 0.1 . 1 . . . . 45 . . . 6189 1 464 . 1 1 46 46 ARG CA C 13 59.480 0.1 . 1 . . . . 46 . . . 6189 1 465 . 1 1 46 46 ARG CB C 13 29.967 0.1 . 1 . . . . 46 . . . 6189 1 466 . 1 1 46 46 ARG CD C 13 43.315 0.1 . 1 . . . . 46 . . . 6189 1 467 . 1 1 46 46 ARG CG C 13 27.815 0.1 . 1 . . . . 46 . . . 6189 1 468 . 1 1 46 46 ARG HA H 1 3.958 0.04 . 1 . . . . 46 . . . 6189 1 469 . 1 1 46 46 ARG HB2 H 1 1.904 0.04 . 1 . . . . 46 . . . 6189 1 470 . 1 1 46 46 ARG HD2 H 1 3.105 0.04 . 1 . . . . 46 . . . 6189 1 471 . 1 1 46 46 ARG HG2 H 1 1.716 0.04 . 1 . . . . 46 . . . 6189 1 472 . 1 1 46 46 ARG HG3 H 1 1.562 0.04 . 1 . . . . 46 . . . 6189 1 473 . 1 1 46 46 ARG H H 1 8.221 0.04 . 1 . . . . 46 . . . 6189 1 474 . 1 1 46 46 ARG N N 15 122.325 0.1 . 1 . . . . 46 . . . 6189 1 475 . 1 1 47 47 ARG CA C 13 56.191 0.1 . 1 . . . . 47 . . . 6189 1 476 . 1 1 47 47 ARG CB C 13 31.023 0.1 . 1 . . . . 47 . . . 6189 1 477 . 1 1 47 47 ARG CD C 13 43.598 0.1 . 1 . . . . 47 . . . 6189 1 478 . 1 1 47 47 ARG HA H 1 4.317 0.04 . 1 . . . . 47 . . . 6189 1 479 . 1 1 47 47 ARG HB2 H 1 1.918 0.04 . 1 . . . . 47 . . . 6189 1 480 . 1 1 47 47 ARG HB3 H 1 1.846 0.04 . 1 . . . . 47 . . . 6189 1 481 . 1 1 47 47 ARG HD2 H 1 3.117 0.04 . 1 . . . . 47 . . . 6189 1 482 . 1 1 47 47 ARG HG2 H 1 1.738 0.04 . 1 . . . . 47 . . . 6189 1 483 . 1 1 47 47 ARG HG3 H 1 1.657 0.04 . 1 . . . . 47 . . . 6189 1 484 . 1 1 47 47 ARG H H 1 7.540 0.04 . 1 . . . . 47 . . . 6189 1 485 . 1 1 47 47 ARG N N 15 116.224 0.1 . 1 . . . . 47 . . . 6189 1 486 . 1 1 48 48 GLY CA C 13 45.876 0.1 . 1 . . . . 48 . . . 6189 1 487 . 1 1 48 48 GLY HA2 H 1 4.034 0.04 . 1 . . . . 48 . . . 6189 1 488 . 1 1 48 48 GLY HA3 H 1 3.766 0.04 . 1 . . . . 48 . . . 6189 1 489 . 1 1 48 48 GLY H H 1 7.966 0.04 . 1 . . . . 48 . . . 6189 1 490 . 1 1 48 48 GLY N N 15 108.845 0.1 . 1 . . . . 48 . . . 6189 1 491 . 1 1 49 49 GLU CA C 13 53.743 0.1 . 1 . . . . 49 . . . 6189 1 492 . 1 1 49 49 GLU CB C 13 32.018 0.1 . 1 . . . . 49 . . . 6189 1 493 . 1 1 49 49 GLU CG C 13 35.833 0.1 . 1 . . . . 49 . . . 6189 1 494 . 1 1 49 49 GLU HA H 1 4.441 0.04 . 1 . . . . 49 . . . 6189 1 495 . 1 1 49 49 GLU HB2 H 1 1.740 0.04 . 1 . . . . 49 . . . 6189 1 496 . 1 1 49 49 GLU HG2 H 1 2.119 0.04 . 1 . . . . 49 . . . 6189 1 497 . 1 1 49 49 GLU HG3 H 1 2.011 0.04 . 1 . . . . 49 . . . 6189 1 498 . 1 1 49 49 GLU H H 1 7.954 0.04 . 1 . . . . 49 . . . 6189 1 499 . 1 1 49 49 GLU N N 15 119.624 0.1 . 1 . . . . 49 . . . 6189 1 500 . 1 1 50 50 VAL CA C 13 60.465 0.1 . 1 . . . . 50 . . . 6189 1 501 . 1 1 50 50 VAL CB C 13 32.422 0.1 . 1 . . . . 50 . . . 6189 1 502 . 1 1 50 50 VAL HA H 1 3.897 0.04 . 1 . . . . 50 . . . 6189 1 503 . 1 1 50 50 VAL HB H 1 1.853 0.04 . 1 . . . . 50 . . . 6189 1 504 . 1 1 50 50 VAL HG11 H 1 0.891 0.04 . 1 . . . . 50 . . . 6189 1 505 . 1 1 50 50 VAL HG12 H 1 0.891 0.04 . 1 . . . . 50 . . . 6189 1 506 . 1 1 50 50 VAL HG13 H 1 0.891 0.04 . 1 . . . . 50 . . . 6189 1 507 . 1 1 50 50 VAL HG21 H 1 0.809 0.04 . 1 . . . . 50 . . . 6189 1 508 . 1 1 50 50 VAL HG22 H 1 0.809 0.04 . 1 . . . . 50 . . . 6189 1 509 . 1 1 50 50 VAL HG23 H 1 0.809 0.04 . 1 . . . . 50 . . . 6189 1 510 . 1 1 50 50 VAL H H 1 8.447 0.04 . 1 . . . . 50 . . . 6189 1 511 . 1 1 50 50 VAL N N 15 122.394 0.1 . 1 . . . . 50 . . . 6189 1 512 . 1 1 51 51 PRO CA C 13 62.664 0.1 . 1 . . . . 51 . . . 6189 1 513 . 1 1 51 51 PRO CB C 13 33.996 0.1 . 1 . . . . 51 . . . 6189 1 514 . 1 1 51 51 PRO CD C 13 51.077 0.1 . 1 . . . . 51 . . . 6189 1 515 . 1 1 51 51 PRO CG C 13 26.994 0.1 . 1 . . . . 51 . . . 6189 1 516 . 1 1 51 51 PRO HA H 1 4.186 0.04 . 1 . . . . 51 . . . 6189 1 517 . 1 1 51 51 PRO HB2 H 1 2.267 0.04 . 1 . . . . 51 . . . 6189 1 518 . 1 1 51 51 PRO HB3 H 1 1.441 0.04 . 1 . . . . 51 . . . 6189 1 519 . 1 1 51 51 PRO HD2 H 1 3.048 0.04 . 1 . . . . 51 . . . 6189 1 520 . 1 1 51 51 PRO HD3 H 1 3.857 0.04 . 1 . . . . 51 . . . 6189 1 521 . 1 1 51 51 PRO HG2 H 1 1.302 0.04 . 1 . . . . 51 . . . 6189 1 522 . 1 1 51 51 PRO HG3 H 1 0.560 0.04 . 1 . . . . 51 . . . 6189 1 523 . 1 1 52 52 ALA CA C 13 55.845 0.1 . 1 . . . . 52 . . . 6189 1 524 . 1 1 52 52 ALA CB C 13 18.037 0.1 . 1 . . . . 52 . . . 6189 1 525 . 1 1 52 52 ALA HA H 1 3.875 0.04 . 1 . . . . 52 . . . 6189 1 526 . 1 1 52 52 ALA HB1 H 1 1.443 0.04 . 1 . . . . 52 . . . 6189 1 527 . 1 1 52 52 ALA HB2 H 1 1.443 0.04 . 1 . . . . 52 . . . 6189 1 528 . 1 1 52 52 ALA HB3 H 1 1.443 0.04 . 1 . . . . 52 . . . 6189 1 529 . 1 1 52 52 ALA H H 1 9.003 0.04 . 1 . . . . 52 . . . 6189 1 530 . 1 1 52 52 ALA N N 15 128.811 0.1 . 1 . . . . 52 . . . 6189 1 531 . 1 1 53 53 GLU CA C 13 59.230 0.1 . 1 . . . . 53 . . . 6189 1 532 . 1 1 53 53 GLU CB C 13 30.381 0.1 . 1 . . . . 53 . . . 6189 1 533 . 1 1 53 53 GLU CG C 13 36.377 0.1 . 1 . . . . 53 . . . 6189 1 534 . 1 1 53 53 GLU HA H 1 4.052 0.04 . 1 . . . . 53 . . . 6189 1 535 . 1 1 53 53 GLU HB2 H 1 2.317 0.04 . 1 . . . . 53 . . . 6189 1 536 . 1 1 53 53 GLU HB3 H 1 1.966 0.04 . 1 . . . . 53 . . . 6189 1 537 . 1 1 53 53 GLU HG2 H 1 2.290 0.04 . 1 . . . . 53 . . . 6189 1 538 . 1 1 53 53 GLU H H 1 9.288 0.04 . 1 . . . . 53 . . . 6189 1 539 . 1 1 53 53 GLU N N 15 115.804 0.1 . 1 . . . . 53 . . . 6189 1 540 . 1 1 54 54 LEU CA C 13 55.803 0.1 . 1 . . . . 54 . . . 6189 1 541 . 1 1 54 54 LEU CB C 13 41.433 0.1 . 1 . . . . 54 . . . 6189 1 542 . 1 1 54 54 LEU CD1 C 13 26.669 0.1 . 1 . . . . 54 . . . 6189 1 543 . 1 1 54 54 LEU CD2 C 13 23.109 0.1 . 1 . . . . 54 . . . 6189 1 544 . 1 1 54 54 LEU CG C 13 27.752 0.1 . 1 . . . . 54 . . . 6189 1 545 . 1 1 54 54 LEU HA H 1 4.346 0.04 . 1 . . . . 54 . . . 6189 1 546 . 1 1 54 54 LEU HB2 H 1 1.760 0.04 . 1 . . . . 54 . . . 6189 1 547 . 1 1 54 54 LEU HB3 H 1 1.390 0.04 . 1 . . . . 54 . . . 6189 1 548 . 1 1 54 54 LEU HD11 H 1 0.916 0.04 . 1 . . . . 54 . . . 6189 1 549 . 1 1 54 54 LEU HD12 H 1 0.916 0.04 . 1 . . . . 54 . . . 6189 1 550 . 1 1 54 54 LEU HD13 H 1 0.916 0.04 . 1 . . . . 54 . . . 6189 1 551 . 1 1 54 54 LEU HD21 H 1 0.992 0.04 . 1 . . . . 54 . . . 6189 1 552 . 1 1 54 54 LEU HD22 H 1 0.992 0.04 . 1 . . . . 54 . . . 6189 1 553 . 1 1 54 54 LEU HD23 H 1 0.992 0.04 . 1 . . . . 54 . . . 6189 1 554 . 1 1 54 54 LEU HG H 1 1.675 0.04 . 1 . . . . 54 . . . 6189 1 555 . 1 1 54 54 LEU H H 1 7.306 0.04 . 1 . . . . 54 . . . 6189 1 556 . 1 1 54 54 LEU N N 15 115.208 0.1 . 1 . . . . 54 . . . 6189 1 557 . 1 1 55 55 ARG CA C 13 59.333 0.1 . 1 . . . . 55 . . . 6189 1 558 . 1 1 55 55 ARG CB C 13 29.540 0.1 . 1 . . . . 55 . . . 6189 1 559 . 1 1 55 55 ARG CD C 13 43.096 0.1 . 1 . . . . 55 . . . 6189 1 560 . 1 1 55 55 ARG CG C 13 27.710 0.1 . 1 . . . . 55 . . . 6189 1 561 . 1 1 55 55 ARG HA H 1 3.818 0.04 . 1 . . . . 55 . . . 6189 1 562 . 1 1 55 55 ARG HB2 H 1 1.847 0.04 . 1 . . . . 55 . . . 6189 1 563 . 1 1 55 55 ARG HD2 H 1 3.183 0.04 . 1 . . . . 55 . . . 6189 1 564 . 1 1 55 55 ARG HD3 H 1 3.121 0.04 . 1 . . . . 55 . . . 6189 1 565 . 1 1 55 55 ARG HG2 H 1 1.657 0.04 . 1 . . . . 55 . . . 6189 1 566 . 1 1 55 55 ARG HG3 H 1 1.519 0.04 . 1 . . . . 55 . . . 6189 1 567 . 1 1 55 55 ARG H H 1 7.629 0.04 . 1 . . . . 55 . . . 6189 1 568 . 1 1 55 55 ARG N N 15 118.850 0.1 . 1 . . . . 55 . . . 6189 1 569 . 1 1 56 56 ARG CA C 13 58.677 0.1 . 1 . . . . 56 . . . 6189 1 570 . 1 1 56 56 ARG CB C 13 29.973 0.1 . 1 . . . . 56 . . . 6189 1 571 . 1 1 56 56 ARG CD C 13 43.502 0.1 . 1 . . . . 56 . . . 6189 1 572 . 1 1 56 56 ARG CG C 13 27.448 0.1 . 1 . . . . 56 . . . 6189 1 573 . 1 1 56 56 ARG HA H 1 4.072 0.04 . 1 . . . . 56 . . . 6189 1 574 . 1 1 56 56 ARG HB2 H 1 1.833 0.04 . 1 . . . . 56 . . . 6189 1 575 . 1 1 56 56 ARG HD2 H 1 3.181 0.04 . 1 . . . . 56 . . . 6189 1 576 . 1 1 56 56 ARG HG2 H 1 1.647 0.04 . 1 . . . . 56 . . . 6189 1 577 . 1 1 56 56 ARG HG3 H 1 1.588 0.04 . 1 . . . . 56 . . . 6189 1 578 . 1 1 56 56 ARG H H 1 7.913 0.04 . 1 . . . . 56 . . . 6189 1 579 . 1 1 56 56 ARG N N 15 116.952 0.1 . 1 . . . . 56 . . . 6189 1 580 . 1 1 57 57 LEU CA C 13 56.321 0.1 . 1 . . . . 57 . . . 6189 1 581 . 1 1 57 57 LEU CB C 13 42.081 0.1 . 1 . . . . 57 . . . 6189 1 582 . 1 1 57 57 LEU CD1 C 13 25.277 0.1 . 1 . . . . 57 . . . 6189 1 583 . 1 1 57 57 LEU CD2 C 13 23.084 0.1 . 1 . . . . 57 . . . 6189 1 584 . 1 1 57 57 LEU CG C 13 26.689 0.1 . 1 . . . . 57 . . . 6189 1 585 . 1 1 57 57 LEU HA H 1 4.076 0.04 . 1 . . . . 57 . . . 6189 1 586 . 1 1 57 57 LEU HB2 H 1 1.836 0.04 . 1 . . . . 57 . . . 6189 1 587 . 1 1 57 57 LEU HB3 H 1 1.627 0.04 . 1 . . . . 57 . . . 6189 1 588 . 1 1 57 57 LEU HD11 H 1 0.930 0.04 . 1 . . . . 57 . . . 6189 1 589 . 1 1 57 57 LEU HD12 H 1 0.930 0.04 . 1 . . . . 57 . . . 6189 1 590 . 1 1 57 57 LEU HD13 H 1 0.930 0.04 . 1 . . . . 57 . . . 6189 1 591 . 1 1 57 57 LEU HD21 H 1 0.882 0.04 . 1 . . . . 57 . . . 6189 1 592 . 1 1 57 57 LEU HD22 H 1 0.882 0.04 . 1 . . . . 57 . . . 6189 1 593 . 1 1 57 57 LEU HD23 H 1 0.882 0.04 . 1 . . . . 57 . . . 6189 1 594 . 1 1 57 57 LEU HG H 1 1.790 0.04 . 1 . . . . 57 . . . 6189 1 595 . 1 1 57 57 LEU H H 1 7.358 0.04 . 1 . . . . 57 . . . 6189 1 596 . 1 1 57 57 LEU N N 15 119.404 0.1 . 1 . . . . 57 . . . 6189 1 597 . 1 1 58 58 ALA CA C 13 51.941 0.1 . 1 . . . . 58 . . . 6189 1 598 . 1 1 58 58 ALA CB C 13 19.405 0.1 . 1 . . . . 58 . . . 6189 1 599 . 1 1 58 58 ALA HA H 1 4.234 0.04 . 1 . . . . 58 . . . 6189 1 600 . 1 1 58 58 ALA HB1 H 1 1.209 0.04 . 1 . . . . 58 . . . 6189 1 601 . 1 1 58 58 ALA HB2 H 1 1.209 0.04 . 1 . . . . 58 . . . 6189 1 602 . 1 1 58 58 ALA HB3 H 1 1.209 0.04 . 1 . . . . 58 . . . 6189 1 603 . 1 1 58 58 ALA H H 1 7.232 0.04 . 1 . . . . 58 . . . 6189 1 604 . 1 1 58 58 ALA N N 15 118.396 0.1 . 1 . . . . 58 . . . 6189 1 605 . 1 1 59 59 HIS CA C 13 56.004 0.1 . 1 . . . . 59 . . . 6189 1 606 . 1 1 59 59 HIS CB C 13 27.473 0.1 . 1 . . . . 59 . . . 6189 1 607 . 1 1 59 59 HIS CD2 C 13 119.989 0.1 . 1 . . . . 59 . . . 6189 1 608 . 1 1 59 59 HIS HA H 1 4.418 0.04 . 1 . . . . 59 . . . 6189 1 609 . 1 1 59 59 HIS HB2 H 1 3.288 0.04 . 1 . . . . 59 . . . 6189 1 610 . 1 1 59 59 HIS HB3 H 1 3.205 0.04 . 1 . . . . 59 . . . 6189 1 611 . 1 1 59 59 HIS HD2 H 1 7.189 0.04 . 1 . . . . 59 . . . 6189 1 612 . 1 1 59 59 HIS H H 1 8.075 0.04 . 1 . . . . 59 . . . 6189 1 613 . 1 1 59 59 HIS N N 15 117.243 0.1 . 1 . . . . 59 . . . 6189 1 614 . 1 1 60 60 GLY CA C 13 45.113 0.1 . 1 . . . . 60 . . . 6189 1 615 . 1 1 60 60 GLY HA2 H 1 4.267 0.04 . 1 . . . . 60 . . . 6189 1 616 . 1 1 60 60 GLY HA3 H 1 3.613 0.04 . 1 . . . . 60 . . . 6189 1 617 . 1 1 60 60 GLY H H 1 8.540 0.04 . 1 . . . . 60 . . . 6189 1 618 . 1 1 60 60 GLY N N 15 107.286 0.1 . 1 . . . . 60 . . . 6189 1 619 . 1 1 61 61 GLY CA C 13 44.087 0.1 . 1 . . . . 61 . . . 6189 1 620 . 1 1 61 61 GLY HA2 H 1 4.273 0.04 . 1 . . . . 61 . . . 6189 1 621 . 1 1 61 61 GLY HA3 H 1 3.706 0.04 . 1 . . . . 61 . . . 6189 1 622 . 1 1 61 61 GLY H H 1 7.622 0.04 . 1 . . . . 61 . . . 6189 1 623 . 1 1 61 61 GLY N N 15 108.321 0.1 . 1 . . . . 61 . . . 6189 1 624 . 1 1 62 62 GLN CA C 13 54.987 0.1 . 1 . . . . 62 . . . 6189 1 625 . 1 1 62 62 GLN CB C 13 30.249 0.1 . 1 . . . . 62 . . . 6189 1 626 . 1 1 62 62 GLN CG C 13 33.731 0.1 . 1 . . . . 62 . . . 6189 1 627 . 1 1 62 62 GLN HA H 1 4.319 0.04 . 1 . . . . 62 . . . 6189 1 628 . 1 1 62 62 GLN HB2 H 1 1.924 0.04 . 1 . . . . 62 . . . 6189 1 629 . 1 1 62 62 GLN HB3 H 1 1.832 0.04 . 1 . . . . 62 . . . 6189 1 630 . 1 1 62 62 GLN HE21 H 1 7.595 0.04 . 1 . . . . 62 . . . 6189 1 631 . 1 1 62 62 GLN HE22 H 1 6.780 0.04 . 1 . . . . 62 . . . 6189 1 632 . 1 1 62 62 GLN HG2 H 1 2.239 0.04 . 1 . . . . 62 . . . 6189 1 633 . 1 1 62 62 GLN H H 1 8.522 0.04 . 1 . . . . 62 . . . 6189 1 634 . 1 1 62 62 GLN N N 15 119.548 0.1 . 1 . . . . 62 . . . 6189 1 635 . 1 1 62 62 GLN NE2 N 15 112.899 0.1 . 1 . . . . 62 . . . 6189 1 636 . 1 1 63 63 VAL CA C 13 61.293 0.1 . 1 . . . . 63 . . . 6189 1 637 . 1 1 63 63 VAL CB C 13 33.323 0.1 . 1 . . . . 63 . . . 6189 1 638 . 1 1 63 63 VAL CG1 C 13 21.620 0.1 . 1 . . . . 63 . . . 6189 1 639 . 1 1 63 63 VAL CG2 C 13 21.485 0.1 . 1 . . . . 63 . . . 6189 1 640 . 1 1 63 63 VAL HA H 1 4.340 0.04 . 1 . . . . 63 . . . 6189 1 641 . 1 1 63 63 VAL HB H 1 1.825 0.04 . 1 . . . . 63 . . . 6189 1 642 . 1 1 63 63 VAL HG11 H 1 0.686 0.04 . 1 . . . . 63 . . . 6189 1 643 . 1 1 63 63 VAL HG12 H 1 0.686 0.04 . 1 . . . . 63 . . . 6189 1 644 . 1 1 63 63 VAL HG13 H 1 0.686 0.04 . 1 . . . . 63 . . . 6189 1 645 . 1 1 63 63 VAL HG21 H 1 0.678 0.04 . 1 . . . . 63 . . . 6189 1 646 . 1 1 63 63 VAL HG22 H 1 0.678 0.04 . 1 . . . . 63 . . . 6189 1 647 . 1 1 63 63 VAL HG23 H 1 0.678 0.04 . 1 . . . . 63 . . . 6189 1 648 . 1 1 63 63 VAL H H 1 8.277 0.04 . 1 . . . . 63 . . . 6189 1 649 . 1 1 63 63 VAL N N 15 121.986 0.1 . 1 . . . . 63 . . . 6189 1 650 . 1 1 64 64 ASN CA C 13 52.213 0.1 . 1 . . . . 64 . . . 6189 1 651 . 1 1 64 64 ASN CB C 13 39.431 0.1 . 1 . . . . 64 . . . 6189 1 652 . 1 1 64 64 ASN HA H 1 4.786 0.04 . 1 . . . . 64 . . . 6189 1 653 . 1 1 64 64 ASN HB2 H 1 2.543 0.04 . 1 . . . . 64 . . . 6189 1 654 . 1 1 64 64 ASN HB3 H 1 2.379 0.04 . 1 . . . . 64 . . . 6189 1 655 . 1 1 64 64 ASN HD21 H 1 7.181 0.04 . 1 . . . . 64 . . . 6189 1 656 . 1 1 64 64 ASN HD22 H 1 6.897 0.04 . 1 . . . . 64 . . . 6189 1 657 . 1 1 64 64 ASN H H 1 8.808 0.04 . 1 . . . . 64 . . . 6189 1 658 . 1 1 64 64 ASN N N 15 126.893 0.1 . 1 . . . . 64 . . . 6189 1 659 . 1 1 64 64 ASN ND2 N 15 112.432 0.1 . 1 . . . . 64 . . . 6189 1 660 . 1 1 65 65 LEU CA C 13 53.818 0.1 . 1 . . . . 65 . . . 6189 1 661 . 1 1 65 65 LEU CB C 13 44.526 0.1 . 1 . . . . 65 . . . 6189 1 662 . 1 1 65 65 LEU CD1 C 13 26.159 0.1 . 1 . . . . 65 . . . 6189 1 663 . 1 1 65 65 LEU CD2 C 13 25.549 0.1 . 1 . . . . 65 . . . 6189 1 664 . 1 1 65 65 LEU CG C 13 27.246 0.1 . 1 . . . . 65 . . . 6189 1 665 . 1 1 65 65 LEU HA H 1 5.008 0.04 . 1 . . . . 65 . . . 6189 1 666 . 1 1 65 65 LEU HB2 H 1 1.694 0.04 . 1 . . . . 65 . . . 6189 1 667 . 1 1 65 65 LEU HB3 H 1 1.104 0.04 . 1 . . . . 65 . . . 6189 1 668 . 1 1 65 65 LEU HD11 H 1 0.706 0.04 . 1 . . . . 65 . . . 6189 1 669 . 1 1 65 65 LEU HD12 H 1 0.706 0.04 . 1 . . . . 65 . . . 6189 1 670 . 1 1 65 65 LEU HD13 H 1 0.706 0.04 . 1 . . . . 65 . . . 6189 1 671 . 1 1 65 65 LEU HD21 H 1 0.754 0.04 . 1 . . . . 65 . . . 6189 1 672 . 1 1 65 65 LEU HD22 H 1 0.754 0.04 . 1 . . . . 65 . . . 6189 1 673 . 1 1 65 65 LEU HD23 H 1 0.754 0.04 . 1 . . . . 65 . . . 6189 1 674 . 1 1 65 65 LEU HG H 1 1.370 0.04 . 1 . . . . 65 . . . 6189 1 675 . 1 1 65 65 LEU H H 1 8.488 0.04 . 1 . . . . 65 . . . 6189 1 676 . 1 1 65 65 LEU N N 15 126.784 0.1 . 1 . . . . 65 . . . 6189 1 677 . 1 1 66 66 ASP CA C 13 53.076 0.1 . 1 . . . . 66 . . . 6189 1 678 . 1 1 66 66 ASP CB C 13 43.796 0.1 . 1 . . . . 66 . . . 6189 1 679 . 1 1 66 66 ASP HA H 1 5.023 0.04 . 1 . . . . 66 . . . 6189 1 680 . 1 1 66 66 ASP HB2 H 1 2.776 0.04 . 1 . . . . 66 . . . 6189 1 681 . 1 1 66 66 ASP HB3 H 1 2.494 0.04 . 1 . . . . 66 . . . 6189 1 682 . 1 1 66 66 ASP H H 1 8.827 0.04 . 1 . . . . 66 . . . 6189 1 683 . 1 1 66 66 ASP N N 15 127.486 0.1 . 1 . . . . 66 . . . 6189 1 684 . 1 1 67 67 MET CA C 13 54.578 0.1 . 1 . . . . 67 . . . 6189 1 685 . 1 1 67 67 MET CB C 13 35.140 0.1 . 1 . . . . 67 . . . 6189 1 686 . 1 1 67 67 MET CE C 13 17.112 0.1 . 1 . . . . 67 . . . 6189 1 687 . 1 1 67 67 MET CG C 13 32.307 0.1 . 1 . . . . 67 . . . 6189 1 688 . 1 1 67 67 MET HA H 1 5.424 0.04 . 1 . . . . 67 . . . 6189 1 689 . 1 1 67 67 MET HB2 H 1 1.882 0.04 . 1 . . . . 67 . . . 6189 1 690 . 1 1 67 67 MET HE1 H 1 1.953 0.04 . 1 . . . . 67 . . . 6189 1 691 . 1 1 67 67 MET HE2 H 1 1.953 0.04 . 1 . . . . 67 . . . 6189 1 692 . 1 1 67 67 MET HE3 H 1 1.953 0.04 . 1 . . . . 67 . . . 6189 1 693 . 1 1 67 67 MET HG2 H 1 2.420 0.04 . 1 . . . . 67 . . . 6189 1 694 . 1 1 67 67 MET HG3 H 1 2.309 0.04 . 1 . . . . 67 . . . 6189 1 695 . 1 1 67 67 MET H H 1 8.706 0.04 . 1 . . . . 67 . . . 6189 1 696 . 1 1 67 67 MET N N 15 120.749 0.1 . 1 . . . . 67 . . . 6189 1 697 . 1 1 68 68 GLU CA C 13 54.616 0.1 . 1 . . . . 68 . . . 6189 1 698 . 1 1 68 68 GLU CB C 13 33.545 0.1 . 1 . . . . 68 . . . 6189 1 699 . 1 1 68 68 GLU CG C 13 35.556 0.1 . 1 . . . . 68 . . . 6189 1 700 . 1 1 68 68 GLU HA H 1 4.420 0.04 . 1 . . . . 68 . . . 6189 1 701 . 1 1 68 68 GLU HB2 H 1 1.697 0.04 . 1 . . . . 68 . . . 6189 1 702 . 1 1 68 68 GLU HB3 H 1 1.599 0.04 . 1 . . . . 68 . . . 6189 1 703 . 1 1 68 68 GLU HG2 H 1 2.046 0.04 . 1 . . . . 68 . . . 6189 1 704 . 1 1 68 68 GLU H H 1 9.177 0.04 . 1 . . . . 68 . . . 6189 1 705 . 1 1 68 68 GLU N N 15 124.026 0.1 . 1 . . . . 68 . . . 6189 1 706 . 1 1 69 69 ASP CA C 13 54.335 0.1 . 1 . . . . 69 . . . 6189 1 707 . 1 1 69 69 ASP CB C 13 40.800 0.1 . 1 . . . . 69 . . . 6189 1 708 . 1 1 69 69 ASP HA H 1 4.403 0.04 . 1 . . . . 69 . . . 6189 1 709 . 1 1 69 69 ASP HB2 H 1 2.923 0.04 . 1 . . . . 69 . . . 6189 1 710 . 1 1 69 69 ASP HB3 H 1 2.361 0.04 . 1 . . . . 69 . . . 6189 1 711 . 1 1 69 69 ASP H H 1 8.760 0.04 . 1 . . . . 69 . . . 6189 1 712 . 1 1 69 69 ASP N N 15 125.455 0.1 . 1 . . . . 69 . . . 6189 1 713 . 1 1 70 70 HIS CA C 13 54.122 0.1 . 1 . . . . 70 . . . 6189 1 714 . 1 1 70 70 HIS CB C 13 29.028 0.1 . 1 . . . . 70 . . . 6189 1 715 . 1 1 70 70 HIS CD2 C 13 117.852 0.1 . 1 . . . . 70 . . . 6189 1 716 . 1 1 70 70 HIS CE1 C 13 135.789 0.1 . 1 . . . . 70 . . . 6189 1 717 . 1 1 70 70 HIS HA H 1 4.831 0.04 . 1 . . . . 70 . . . 6189 1 718 . 1 1 70 70 HIS HB2 H 1 3.328 0.04 . 1 . . . . 70 . . . 6189 1 719 . 1 1 70 70 HIS HB3 H 1 1.880 0.04 . 1 . . . . 70 . . . 6189 1 720 . 1 1 70 70 HIS HD2 H 1 5.881 0.04 . 1 . . . . 70 . . . 6189 1 721 . 1 1 70 70 HIS HE1 H 1 8.447 0.04 . 1 . . . . 70 . . . 6189 1 722 . 1 1 70 70 HIS H H 1 8.662 0.04 . 1 . . . . 70 . . . 6189 1 723 . 1 1 70 70 HIS N N 15 127.835 0.1 . 1 . . . . 70 . . . 6189 1 724 . 1 1 71 71 ARG CA C 13 60.582 0.1 . 1 . . . . 71 . . . 6189 1 725 . 1 1 71 71 ARG CB C 13 30.070 0.1 . 1 . . . . 71 . . . 6189 1 726 . 1 1 71 71 ARG CD C 13 43.463 0.1 . 1 . . . . 71 . . . 6189 1 727 . 1 1 71 71 ARG CG C 13 28.623 0.1 . 1 . . . . 71 . . . 6189 1 728 . 1 1 71 71 ARG HA H 1 3.579 0.04 . 1 . . . . 71 . . . 6189 1 729 . 1 1 71 71 ARG HB2 H 1 1.893 0.04 . 1 . . . . 71 . . . 6189 1 730 . 1 1 71 71 ARG HD2 H 1 3.136 0.04 . 1 . . . . 71 . . . 6189 1 731 . 1 1 71 71 ARG HG2 H 1 1.700 0.04 . 1 . . . . 71 . . . 6189 1 732 . 1 1 71 71 ARG HG3 H 1 1.601 0.04 . 1 . . . . 71 . . . 6189 1 733 . 1 1 71 71 ARG H H 1 7.959 0.04 . 1 . . . . 71 . . . 6189 1 734 . 1 1 71 71 ARG N N 15 116.475 0.1 . 1 . . . . 71 . . . 6189 1 735 . 1 1 72 72 ASP CA C 13 53.712 0.1 . 1 . . . . 72 . . . 6189 1 736 . 1 1 72 72 ASP CB C 13 40.732 0.1 . 1 . . . . 72 . . . 6189 1 737 . 1 1 72 72 ASP HA H 1 4.812 0.04 . 1 . . . . 72 . . . 6189 1 738 . 1 1 72 72 ASP HB2 H 1 2.723 0.04 . 1 . . . . 72 . . . 6189 1 739 . 1 1 72 72 ASP HB3 H 1 2.683 0.04 . 1 . . . . 72 . . . 6189 1 740 . 1 1 72 72 ASP H H 1 8.506 0.04 . 1 . . . . 72 . . . 6189 1 741 . 1 1 72 72 ASP N N 15 115.767 0.1 . 1 . . . . 72 . . . 6189 1 742 . 1 1 73 73 GLU CA C 13 55.280 0.1 . 1 . . . . 73 . . . 6189 1 743 . 1 1 73 73 GLU CB C 13 33.438 0.1 . 1 . . . . 73 . . . 6189 1 744 . 1 1 73 73 GLU CG C 13 36.022 0.1 . 1 . . . . 73 . . . 6189 1 745 . 1 1 73 73 GLU HA H 1 4.728 0.04 . 1 . . . . 73 . . . 6189 1 746 . 1 1 73 73 GLU HB2 H 1 2.542 0.04 . 1 . . . . 73 . . . 6189 1 747 . 1 1 73 73 GLU HB3 H 1 2.432 0.04 . 1 . . . . 73 . . . 6189 1 748 . 1 1 73 73 GLU HG2 H 1 2.309 0.04 . 1 . . . . 73 . . . 6189 1 749 . 1 1 73 73 GLU H H 1 8.711 0.04 . 1 . . . . 73 . . . 6189 1 750 . 1 1 73 73 GLU N N 15 121.215 0.1 . 1 . . . . 73 . . . 6189 1 751 . 1 1 74 74 ASP CA C 13 54.169 0.1 . 1 . . . . 74 . . . 6189 1 752 . 1 1 74 74 ASP CB C 13 41.944 0.1 . 1 . . . . 74 . . . 6189 1 753 . 1 1 74 74 ASP HA H 1 4.881 0.04 . 1 . . . . 74 . . . 6189 1 754 . 1 1 74 74 ASP HB2 H 1 2.610 0.04 . 1 . . . . 74 . . . 6189 1 755 . 1 1 74 74 ASP HB3 H 1 2.404 0.04 . 1 . . . . 74 . . . 6189 1 756 . 1 1 74 74 ASP H H 1 8.517 0.04 . 1 . . . . 74 . . . 6189 1 757 . 1 1 74 74 ASP N N 15 121.505 0.1 . 1 . . . . 74 . . . 6189 1 758 . 1 1 75 75 PHE CA C 13 58.860 0.1 . 1 . . . . 75 . . . 6189 1 759 . 1 1 75 75 PHE CB C 13 40.049 0.1 . 1 . . . . 75 . . . 6189 1 760 . 1 1 75 75 PHE CD1 C 13 131.511 0.1 . 1 . . . . 75 . . . 6189 1 761 . 1 1 75 75 PHE CE1 C 13 130.779 0.1 . 1 . . . . 75 . . . 6189 1 762 . 1 1 75 75 PHE HA H 1 2.500 0.04 . 1 . . . . 75 . . . 6189 1 763 . 1 1 75 75 PHE HB2 H 1 2.267 0.04 . 1 . . . . 75 . . . 6189 1 764 . 1 1 75 75 PHE HB3 H 1 2.094 0.04 . 1 . . . . 75 . . . 6189 1 765 . 1 1 75 75 PHE HD2 H 1 5.801 0.04 . 3 . . . . 75 . . . 6189 1 766 . 1 1 75 75 PHE HE2 H 1 6.997 0.04 . 3 . . . . 75 . . . 6189 1 767 . 1 1 75 75 PHE H H 1 8.018 0.04 . 1 . . . . 75 . . . 6189 1 768 . 1 1 75 75 PHE N N 15 120.918 0.1 . 1 . . . . 75 . . . 6189 1 769 . 1 1 76 76 VAL CA C 13 60.538 0.1 . 1 . . . . 76 . . . 6189 1 770 . 1 1 76 76 VAL CB C 13 33.486 0.1 . 1 . . . . 76 . . . 6189 1 771 . 1 1 76 76 VAL CG1 C 13 20.708 0.1 . 1 . . . . 76 . . . 6189 1 772 . 1 1 76 76 VAL CG2 C 13 20.660 0.1 . 1 . . . . 76 . . . 6189 1 773 . 1 1 76 76 VAL HA H 1 3.573 0.04 . 1 . . . . 76 . . . 6189 1 774 . 1 1 76 76 VAL HB H 1 1.537 0.04 . 1 . . . . 76 . . . 6189 1 775 . 1 1 76 76 VAL HG11 H 1 0.733 0.04 . 1 . . . . 76 . . . 6189 1 776 . 1 1 76 76 VAL HG12 H 1 0.733 0.04 . 1 . . . . 76 . . . 6189 1 777 . 1 1 76 76 VAL HG13 H 1 0.733 0.04 . 1 . . . . 76 . . . 6189 1 778 . 1 1 76 76 VAL HG21 H 1 0.648 0.04 . 1 . . . . 76 . . . 6189 1 779 . 1 1 76 76 VAL HG22 H 1 0.648 0.04 . 1 . . . . 76 . . . 6189 1 780 . 1 1 76 76 VAL HG23 H 1 0.648 0.04 . 1 . . . . 76 . . . 6189 1 781 . 1 1 76 76 VAL H H 1 5.652 0.04 . 1 . . . . 76 . . . 6189 1 782 . 1 1 76 76 VAL N N 15 126.007 0.1 . 1 . . . . 76 . . . 6189 1 783 . 1 1 77 77 LYS CA C 13 54.229 0.1 . 1 . . . . 77 . . . 6189 1 784 . 1 1 77 77 LYS CB C 13 32.391 0.1 . 1 . . . . 77 . . . 6189 1 785 . 1 1 77 77 LYS HA H 1 3.970 0.04 . 1 . . . . 77 . . . 6189 1 786 . 1 1 77 77 LYS HB2 H 1 1.601 0.04 . 1 . . . . 77 . . . 6189 1 787 . 1 1 77 77 LYS HB3 H 1 1.529 0.04 . 1 . . . . 77 . . . 6189 1 788 . 1 1 77 77 LYS HD2 H 1 2.311 0.04 . 1 . . . . 77 . . . 6189 1 789 . 1 1 77 77 LYS HE2 H 1 2.937 0.04 . 1 . . . . 77 . . . 6189 1 790 . 1 1 77 77 LYS HE3 H 1 2.872 0.04 . 1 . . . . 77 . . . 6189 1 791 . 1 1 77 77 LYS HG2 H 1 1.363 0.04 . 1 . . . . 77 . . . 6189 1 792 . 1 1 77 77 LYS H H 1 7.883 0.04 . 1 . . . . 77 . . . 6189 1 793 . 1 1 77 77 LYS N N 15 126.344 0.1 . 1 . . . . 77 . . . 6189 1 794 . 1 1 78 78 PRO CA C 13 62.820 0.1 . 1 . . . . 78 . . . 6189 1 795 . 1 1 78 78 PRO CB C 13 32.243 0.1 . 1 . . . . 78 . . . 6189 1 796 . 1 1 78 78 PRO CD C 13 50.910 0.1 . 1 . . . . 78 . . . 6189 1 797 . 1 1 78 78 PRO CG C 13 27.437 0.1 . 1 . . . . 78 . . . 6189 1 798 . 1 1 78 78 PRO HA H 1 4.269 0.04 . 1 . . . . 78 . . . 6189 1 799 . 1 1 78 78 PRO HB2 H 1 2.219 0.04 . 1 . . . . 78 . . . 6189 1 800 . 1 1 78 78 PRO HB3 H 1 1.810 0.04 . 1 . . . . 78 . . . 6189 1 801 . 1 1 78 78 PRO HD2 H 1 3.725 0.04 . 1 . . . . 78 . . . 6189 1 802 . 1 1 78 78 PRO HD3 H 1 3.496 0.04 . 1 . . . . 78 . . . 6189 1 803 . 1 1 78 78 PRO HG2 H 1 1.924 0.04 . 1 . . . . 78 . . . 6189 1 804 . 1 1 79 79 LYS CA C 13 56.481 0.1 . 1 . . . . 79 . . . 6189 1 805 . 1 1 79 79 LYS CB C 13 33.050 0.1 . 1 . . . . 79 . . . 6189 1 806 . 1 1 79 79 LYS CD C 13 28.987 0.1 . 1 . . . . 79 . . . 6189 1 807 . 1 1 79 79 LYS CE C 13 42.062 0.1 . 1 . . . . 79 . . . 6189 1 808 . 1 1 79 79 LYS CG C 13 24.729 0.1 . 1 . . . . 79 . . . 6189 1 809 . 1 1 79 79 LYS HA H 1 4.201 0.04 . 1 . . . . 79 . . . 6189 1 810 . 1 1 79 79 LYS HB2 H 1 1.741 0.04 . 1 . . . . 79 . . . 6189 1 811 . 1 1 79 79 LYS HD2 H 1 1.627 0.04 . 1 . . . . 79 . . . 6189 1 812 . 1 1 79 79 LYS HE2 H 1 2.922 0.04 . 1 . . . . 79 . . . 6189 1 813 . 1 1 79 79 LYS HG2 H 1 1.395 0.04 . 1 . . . . 79 . . . 6189 1 814 . 1 1 79 79 LYS H H 1 8.396 0.04 . 1 . . . . 79 . . . 6189 1 815 . 1 1 79 79 LYS N N 15 122.081 0.1 . 1 . . . . 79 . . . 6189 1 816 . 1 1 80 80 GLY CA C 13 44.948 0.1 . 1 . . . . 80 . . . 6189 1 817 . 1 1 80 80 GLY HA2 H 1 3.864 0.04 . 1 . . . . 80 . . . 6189 1 818 . 1 1 80 80 GLY HA3 H 1 3.836 0.04 . 1 . . . . 80 . . . 6189 1 819 . 1 1 80 80 GLY H H 1 8.310 0.04 . 1 . . . . 80 . . . 6189 1 820 . 1 1 80 80 GLY N N 15 109.762 0.1 . 1 . . . . 80 . . . 6189 1 821 . 1 1 81 81 ALA CA C 13 52.216 0.1 . 1 . . . . 81 . . . 6189 1 822 . 1 1 81 81 ALA CB C 13 19.293 0.1 . 1 . . . . 81 . . . 6189 1 823 . 1 1 81 81 ALA HA H 1 4.291 0.04 . 1 . . . . 81 . . . 6189 1 824 . 1 1 81 81 ALA HB1 H 1 1.306 0.04 . 1 . . . . 81 . . . 6189 1 825 . 1 1 81 81 ALA HB2 H 1 1.306 0.04 . 1 . . . . 81 . . . 6189 1 826 . 1 1 81 81 ALA HB3 H 1 1.306 0.04 . 1 . . . . 81 . . . 6189 1 827 . 1 1 81 81 ALA H H 1 8.076 0.04 . 1 . . . . 81 . . . 6189 1 828 . 1 1 81 81 ALA N N 15 123.714 0.1 . 1 . . . . 81 . . . 6189 1 829 . 1 1 82 82 PHE CA C 13 57.674 0.1 . 1 . . . . 82 . . . 6189 1 830 . 1 1 82 82 PHE CB C 13 39.618 0.1 . 1 . . . . 82 . . . 6189 1 831 . 1 1 82 82 PHE HA H 1 4.705 0.04 . 1 . . . . 82 . . . 6189 1 832 . 1 1 82 82 PHE HB2 H 1 3.035 0.04 . 1 . . . . 82 . . . 6189 1 833 . 1 1 82 82 PHE H H 1 8.254 0.04 . 1 . . . . 82 . . . 6189 1 834 . 1 1 82 82 PHE N N 15 119.777 0.1 . 1 . . . . 82 . . . 6189 1 835 . 1 1 83 83 LYS CA C 13 55.731 0.1 . 1 . . . . 83 . . . 6189 1 836 . 1 1 83 83 LYS CB C 13 33.240 0.1 . 1 . . . . 83 . . . 6189 1 837 . 1 1 83 83 LYS CD C 13 29.058 0.1 . 1 . . . . 83 . . . 6189 1 838 . 1 1 83 83 LYS CE C 13 41.944 0.1 . 1 . . . . 83 . . . 6189 1 839 . 1 1 83 83 LYS CG C 13 24.558 0.1 . 1 . . . . 83 . . . 6189 1 840 . 1 1 83 83 LYS HA H 1 4.173 0.04 . 1 . . . . 83 . . . 6189 1 841 . 1 1 83 83 LYS HB2 H 1 1.635 0.04 . 1 . . . . 83 . . . 6189 1 842 . 1 1 83 83 LYS HB3 H 1 1.557 0.04 . 1 . . . . 83 . . . 6189 1 843 . 1 1 83 83 LYS HE2 H 1 2.910 0.04 . 1 . . . . 83 . . . 6189 1 844 . 1 1 83 83 LYS HG2 H 1 1.259 0.04 . 1 . . . . 83 . . . 6189 1 845 . 1 1 83 83 LYS H H 1 8.078 0.04 . 1 . . . . 83 . . . 6189 1 846 . 1 1 83 83 LYS N N 15 124.234 0.1 . 1 . . . . 83 . . . 6189 1 847 . 1 1 84 84 ALA CA C 13 52.207 0.1 . 1 . . . . 84 . . . 6189 1 848 . 1 1 84 84 ALA CB C 13 19.252 0.1 . 1 . . . . 84 . . . 6189 1 849 . 1 1 84 84 ALA HA H 1 4.242 0.04 . 1 . . . . 84 . . . 6189 1 850 . 1 1 84 84 ALA HB1 H 1 1.244 0.04 . 1 . . . . 84 . . . 6189 1 851 . 1 1 84 84 ALA HB2 H 1 1.244 0.04 . 1 . . . . 84 . . . 6189 1 852 . 1 1 84 84 ALA HB3 H 1 1.244 0.04 . 1 . . . . 84 . . . 6189 1 853 . 1 1 84 84 ALA H H 1 8.130 0.04 . 1 . . . . 84 . . . 6189 1 854 . 1 1 84 84 ALA N N 15 125.494 0.1 . 1 . . . . 84 . . . 6189 1 855 . 1 1 85 85 PHE CA C 13 57.756 0.1 . 1 . . . . 85 . . . 6189 1 856 . 1 1 85 85 PHE CB C 13 39.533 0.1 . 1 . . . . 85 . . . 6189 1 857 . 1 1 85 85 PHE HA H 1 4.637 0.04 . 1 . . . . 85 . . . 6189 1 858 . 1 1 85 85 PHE HB2 H 1 3.061 0.04 . 1 . . . . 85 . . . 6189 1 859 . 1 1 85 85 PHE H H 1 8.158 0.04 . 1 . . . . 85 . . . 6189 1 860 . 1 1 85 85 PHE N N 15 119.980 0.1 . 1 . . . . 85 . . . 6189 1 861 . 1 1 86 86 THR CA C 13 61.472 0.1 . 1 . . . . 86 . . . 6189 1 862 . 1 1 86 86 THR CB C 13 69.923 0.1 . 1 . . . . 86 . . . 6189 1 863 . 1 1 86 86 THR CG2 C 13 21.269 0.1 . 1 . . . . 86 . . . 6189 1 864 . 1 1 86 86 THR HA H 1 4.279 0.04 . 1 . . . . 86 . . . 6189 1 865 . 1 1 86 86 THR HB H 1 4.180 0.04 . 1 . . . . 86 . . . 6189 1 866 . 1 1 86 86 THR HG21 H 1 1.131 0.04 . 1 . . . . 86 . . . 6189 1 867 . 1 1 86 86 THR HG22 H 1 1.131 0.04 . 1 . . . . 86 . . . 6189 1 868 . 1 1 86 86 THR HG23 H 1 1.131 0.04 . 1 . . . . 86 . . . 6189 1 869 . 1 1 86 86 THR H H 1 8.097 0.04 . 1 . . . . 86 . . . 6189 1 870 . 1 1 86 86 THR N N 15 115.605 0.1 . 1 . . . . 86 . . . 6189 1 871 . 1 1 87 87 GLY CA C 13 45.241 0.1 . 1 . . . . 87 . . . 6189 1 872 . 1 1 87 87 GLY HA2 H 1 3.901 0.04 . 1 . . . . 87 . . . 6189 1 873 . 1 1 87 87 GLY HA3 H 1 3.862 0.04 . 1 . . . . 87 . . . 6189 1 874 . 1 1 87 87 GLY H H 1 7.772 0.04 . 1 . . . . 87 . . . 6189 1 875 . 1 1 87 87 GLY N N 15 110.417 0.1 . 1 . . . . 87 . . . 6189 1 876 . 1 1 88 88 GLU CA C 13 56.719 0.1 . 1 . . . . 88 . . . 6189 1 877 . 1 1 88 88 GLU CB C 13 30.212 0.1 . 1 . . . . 88 . . . 6189 1 878 . 1 1 88 88 GLU CG C 13 36.065 0.1 . 1 . . . . 88 . . . 6189 1 879 . 1 1 88 88 GLU HA H 1 4.249 0.04 . 1 . . . . 88 . . . 6189 1 880 . 1 1 88 88 GLU HB2 H 1 2.022 0.04 . 1 . . . . 88 . . . 6189 1 881 . 1 1 88 88 GLU HB3 H 1 1.904 0.04 . 1 . . . . 88 . . . 6189 1 882 . 1 1 88 88 GLU HG2 H 1 2.232 0.04 . 1 . . . . 88 . . . 6189 1 883 . 1 1 88 88 GLU H H 1 8.291 0.04 . 1 . . . . 88 . . . 6189 1 884 . 1 1 88 88 GLU N N 15 120.733 0.1 . 1 . . . . 88 . . . 6189 1 885 . 1 1 89 89 GLY CA C 13 45.294 0.1 . 1 . . . . 89 . . . 6189 1 886 . 1 1 89 89 GLY HA2 H 1 3.893 0.04 . 1 . . . . 89 . . . 6189 1 887 . 1 1 89 89 GLY H H 1 8.511 0.04 . 1 . . . . 89 . . . 6189 1 888 . 1 1 89 89 GLY N N 15 110.050 0.1 . 1 . . . . 89 . . . 6189 1 889 . 1 1 90 90 GLN CA C 13 55.799 0.1 . 1 . . . . 90 . . . 6189 1 890 . 1 1 90 90 GLN CB C 13 29.467 0.1 . 1 . . . . 90 . . . 6189 1 891 . 1 1 90 90 GLN CG C 13 33.679 0.1 . 1 . . . . 90 . . . 6189 1 892 . 1 1 90 90 GLN HA H 1 4.252 0.04 . 1 . . . . 90 . . . 6189 1 893 . 1 1 90 90 GLN HB2 H 1 2.002 0.04 . 1 . . . . 90 . . . 6189 1 894 . 1 1 90 90 GLN HB3 H 1 1.903 0.04 . 1 . . . . 90 . . . 6189 1 895 . 1 1 90 90 GLN HE21 H 1 7.489 0.04 . 1 . . . . 90 . . . 6189 1 896 . 1 1 90 90 GLN HE22 H 1 6.835 0.04 . 1 . . . . 90 . . . 6189 1 897 . 1 1 90 90 GLN HG2 H 1 2.291 0.04 . 1 . . . . 90 . . . 6189 1 898 . 1 1 90 90 GLN H H 1 8.144 0.04 . 1 . . . . 90 . . . 6189 1 899 . 1 1 90 90 GLN N N 15 119.813 0.1 . 1 . . . . 90 . . . 6189 1 900 . 1 1 90 90 GLN NE2 N 15 112.254 0.1 . 1 . . . . 90 . . . 6189 1 901 . 1 1 91 91 LYS CA C 13 56.166 0.1 . 1 . . . . 91 . . . 6189 1 902 . 1 1 91 91 LYS CB C 13 32.739 0.1 . 1 . . . . 91 . . . 6189 1 903 . 1 1 91 91 LYS CD C 13 28.973 0.1 . 1 . . . . 91 . . . 6189 1 904 . 1 1 91 91 LYS CE C 13 41.908 0.1 . 1 . . . . 91 . . . 6189 1 905 . 1 1 91 91 LYS CG C 13 24.740 0.1 . 1 . . . . 91 . . . 6189 1 906 . 1 1 91 91 LYS HA H 1 4.273 0.04 . 1 . . . . 91 . . . 6189 1 907 . 1 1 91 91 LYS HB2 H 1 1.781 0.04 . 1 . . . . 91 . . . 6189 1 908 . 1 1 91 91 LYS HB3 H 1 1.718 0.04 . 1 . . . . 91 . . . 6189 1 909 . 1 1 91 91 LYS HD2 H 1 1.643 0.04 . 1 . . . . 91 . . . 6189 1 910 . 1 1 91 91 LYS HE2 H 1 2.932 0.04 . 1 . . . . 91 . . . 6189 1 911 . 1 1 91 91 LYS HG2 H 1 1.374 0.04 . 1 . . . . 91 . . . 6189 1 912 . 1 1 91 91 LYS H H 1 8.567 0.04 . 1 . . . . 91 . . . 6189 1 913 . 1 1 91 91 LYS N N 15 120.199 0.1 . 1 . . . . 91 . . . 6189 1 914 . 1 1 92 92 LEU CA C 13 55.248 0.1 . 1 . . . . 92 . . . 6189 1 915 . 1 1 92 92 LEU CB C 13 42.306 0.1 . 1 . . . . 92 . . . 6189 1 916 . 1 1 92 92 LEU CD1 C 13 24.921 0.1 . 1 . . . . 92 . . . 6189 1 917 . 1 1 92 92 LEU CD2 C 13 23.505 0.1 . 1 . . . . 92 . . . 6189 1 918 . 1 1 92 92 LEU CG C 13 26.844 0.1 . 1 . . . . 92 . . . 6189 1 919 . 1 1 92 92 LEU HA H 1 4.319 0.04 . 1 . . . . 92 . . . 6189 1 920 . 1 1 92 92 LEU HB2 H 1 1.615 0.04 . 1 . . . . 92 . . . 6189 1 921 . 1 1 92 92 LEU HB3 H 1 1.564 0.04 . 1 . . . . 92 . . . 6189 1 922 . 1 1 92 92 LEU HD11 H 1 0.876 0.04 . 1 . . . . 92 . . . 6189 1 923 . 1 1 92 92 LEU HD12 H 1 0.876 0.04 . 1 . . . . 92 . . . 6189 1 924 . 1 1 92 92 LEU HD13 H 1 0.876 0.04 . 1 . . . . 92 . . . 6189 1 925 . 1 1 92 92 LEU HD21 H 1 0.828 0.04 . 1 . . . . 92 . . . 6189 1 926 . 1 1 92 92 LEU HD22 H 1 0.828 0.04 . 1 . . . . 92 . . . 6189 1 927 . 1 1 92 92 LEU HD23 H 1 0.828 0.04 . 1 . . . . 92 . . . 6189 1 928 . 1 1 92 92 LEU HG H 1 1.588 0.04 . 1 . . . . 92 . . . 6189 1 929 . 1 1 92 92 LEU H H 1 8.304 0.04 . 1 . . . . 92 . . . 6189 1 930 . 1 1 92 92 LEU N N 15 123.874 0.1 . 1 . . . . 92 . . . 6189 1 931 . 1 1 93 93 GLY CA C 13 45.213 0.1 . 1 . . . . 93 . . . 6189 1 932 . 1 1 93 93 GLY HA2 H 1 3.936 0.04 . 1 . . . . 93 . . . 6189 1 933 . 1 1 93 93 GLY H H 1 8.439 0.04 . 1 . . . . 93 . . . 6189 1 934 . 1 1 93 93 GLY N N 15 110.072 0.1 . 1 . . . . 93 . . . 6189 1 935 . 1 1 94 94 SER CA C 13 58.249 0.1 . 1 . . . . 94 . . . 6189 1 936 . 1 1 94 94 SER CB C 13 63.947 0.1 . 1 . . . . 94 . . . 6189 1 937 . 1 1 94 94 SER HA H 1 4.496 0.04 . 1 . . . . 94 . . . 6189 1 938 . 1 1 94 94 SER HB2 H 1 3.841 0.04 . 1 . . . . 94 . . . 6189 1 939 . 1 1 94 94 SER H H 1 8.180 0.04 . 1 . . . . 94 . . . 6189 1 940 . 1 1 94 94 SER N N 15 115.417 0.1 . 1 . . . . 94 . . . 6189 1 941 . 1 1 95 95 THR CA C 13 61.469 0.1 . 1 . . . . 95 . . . 6189 1 942 . 1 1 95 95 THR CB C 13 69.723 0.1 . 1 . . . . 95 . . . 6189 1 943 . 1 1 95 95 THR CG2 C 13 21.563 0.1 . 1 . . . . 95 . . . 6189 1 944 . 1 1 95 95 THR HA H 1 4.321 0.04 . 1 . . . . 95 . . . 6189 1 945 . 1 1 95 95 THR HB H 1 4.193 0.04 . 1 . . . . 95 . . . 6189 1 946 . 1 1 95 95 THR HG21 H 1 1.173 0.04 . 1 . . . . 95 . . . 6189 1 947 . 1 1 95 95 THR HG22 H 1 1.173 0.04 . 1 . . . . 95 . . . 6189 1 948 . 1 1 95 95 THR HG23 H 1 1.173 0.04 . 1 . . . . 95 . . . 6189 1 949 . 1 1 95 95 THR H H 1 8.198 0.04 . 1 . . . . 95 . . . 6189 1 950 . 1 1 95 95 THR N N 15 115.806 0.1 . 1 . . . . 95 . . . 6189 1 951 . 1 1 96 96 ALA CA C 13 50.547 0.1 . 1 . . . . 96 . . . 6189 1 952 . 1 1 96 96 ALA CB C 13 18.170 0.1 . 1 . . . . 96 . . . 6189 1 953 . 1 1 96 96 ALA HA H 1 4.562 0.04 . 1 . . . . 96 . . . 6189 1 954 . 1 1 96 96 ALA HB1 H 1 1.330 0.04 . 1 . . . . 96 . . . 6189 1 955 . 1 1 96 96 ALA HB2 H 1 1.330 0.04 . 1 . . . . 96 . . . 6189 1 956 . 1 1 96 96 ALA HB3 H 1 1.330 0.04 . 1 . . . . 96 . . . 6189 1 957 . 1 1 96 96 ALA H H 1 8.239 0.04 . 1 . . . . 96 . . . 6189 1 958 . 1 1 96 96 ALA N N 15 127.940 0.1 . 1 . . . . 96 . . . 6189 1 959 . 1 1 97 97 PRO CA C 13 62.983 0.1 . 1 . . . . 97 . . . 6189 1 960 . 1 1 97 97 PRO CB C 13 32.032 0.1 . 1 . . . . 97 . . . 6189 1 961 . 1 1 97 97 PRO CD C 13 50.496 0.1 . 1 . . . . 97 . . . 6189 1 962 . 1 1 97 97 PRO CG C 13 27.424 0.1 . 1 . . . . 97 . . . 6189 1 963 . 1 1 97 97 PRO HA H 1 4.370 0.04 . 1 . . . . 97 . . . 6189 1 964 . 1 1 97 97 PRO HB2 H 1 2.251 0.04 . 1 . . . . 97 . . . 6189 1 965 . 1 1 97 97 PRO HB3 H 1 1.833 0.04 . 1 . . . . 97 . . . 6189 1 966 . 1 1 97 97 PRO HD2 H 1 3.776 0.04 . 1 . . . . 97 . . . 6189 1 967 . 1 1 97 97 PRO HD3 H 1 3.603 0.04 . 1 . . . . 97 . . . 6189 1 968 . 1 1 97 97 PRO HG2 H 1 1.985 0.04 . 1 . . . . 97 . . . 6189 1 969 . 1 1 98 98 GLN CA C 13 55.702 0.1 . 1 . . . . 98 . . . 6189 1 970 . 1 1 98 98 GLN CB C 13 29.558 0.1 . 1 . . . . 98 . . . 6189 1 971 . 1 1 98 98 GLN CG C 13 33.770 0.1 . 1 . . . . 98 . . . 6189 1 972 . 1 1 98 98 GLN HA H 1 4.272 0.04 . 1 . . . . 98 . . . 6189 1 973 . 1 1 98 98 GLN HB2 H 1 2.010 0.04 . 1 . . . . 98 . . . 6189 1 974 . 1 1 98 98 GLN HB3 H 1 1.932 0.04 . 1 . . . . 98 . . . 6189 1 975 . 1 1 98 98 GLN HE21 H 1 7.483 0.04 . 1 . . . . 98 . . . 6189 1 976 . 1 1 98 98 GLN HE22 H 1 6.816 0.04 . 1 . . . . 98 . . . 6189 1 977 . 1 1 98 98 GLN HG2 H 1 2.324 0.04 . 1 . . . . 98 . . . 6189 1 978 . 1 1 98 98 GLN H H 1 8.425 0.04 . 1 . . . . 98 . . . 6189 1 979 . 1 1 98 98 GLN N N 15 120.900 0.1 . 1 . . . . 98 . . . 6189 1 980 . 1 1 98 98 GLN NE2 N 15 112.223 0.1 . 1 . . . . 98 . . . 6189 1 981 . 1 1 99 99 VAL CA C 13 62.188 0.1 . 1 . . . . 99 . . . 6189 1 982 . 1 1 99 99 VAL CB C 13 32.736 0.1 . 1 . . . . 99 . . . 6189 1 983 . 1 1 99 99 VAL CG1 C 13 20.737 0.1 . 1 . . . . 99 . . . 6189 1 984 . 1 1 99 99 VAL CG2 C 13 20.713 0.1 . 1 . . . . 99 . . . 6189 1 985 . 1 1 99 99 VAL HA H 1 4.069 0.04 . 1 . . . . 99 . . . 6189 1 986 . 1 1 99 99 VAL HB H 1 2.007 0.04 . 1 . . . . 99 . . . 6189 1 987 . 1 1 99 99 VAL HG11 H 1 0.873 0.04 . 1 . . . . 99 . . . 6189 1 988 . 1 1 99 99 VAL HG12 H 1 0.873 0.04 . 1 . . . . 99 . . . 6189 1 989 . 1 1 99 99 VAL HG13 H 1 0.873 0.04 . 1 . . . . 99 . . . 6189 1 990 . 1 1 99 99 VAL HG21 H 1 0.872 0.04 . 1 . . . . 99 . . . 6189 1 991 . 1 1 99 99 VAL HG22 H 1 0.872 0.04 . 1 . . . . 99 . . . 6189 1 992 . 1 1 99 99 VAL HG23 H 1 0.872 0.04 . 1 . . . . 99 . . . 6189 1 993 . 1 1 99 99 VAL H H 1 8.206 0.04 . 1 . . . . 99 . . . 6189 1 994 . 1 1 99 99 VAL N N 15 122.350 0.1 . 1 . . . . 99 . . . 6189 1 995 . 1 1 100 100 LEU CA C 13 54.849 0.1 . 1 . . . . 100 . . . 6189 1 996 . 1 1 100 100 LEU CB C 13 42.496 0.1 . 1 . . . . 100 . . . 6189 1 997 . 1 1 100 100 LEU CD1 C 13 24.933 0.1 . 1 . . . . 100 . . . 6189 1 998 . 1 1 100 100 LEU CD2 C 13 23.346 0.1 . 1 . . . . 100 . . . 6189 1 999 . 1 1 100 100 LEU CG C 13 27.011 0.1 . 1 . . . . 100 . . . 6189 1 1000 . 1 1 100 100 LEU HA H 1 4.417 0.04 . 1 . . . . 100 . . . 6189 1 1001 . 1 1 100 100 LEU HB2 H 1 1.640 0.04 . 1 . . . . 100 . . . 6189 1 1002 . 1 1 100 100 LEU HB3 H 1 1.577 0.04 . 1 . . . . 100 . . . 6189 1 1003 . 1 1 100 100 LEU HD11 H 1 0.882 0.04 . 1 . . . . 100 . . . 6189 1 1004 . 1 1 100 100 LEU HD12 H 1 0.882 0.04 . 1 . . . . 100 . . . 6189 1 1005 . 1 1 100 100 LEU HD13 H 1 0.882 0.04 . 1 . . . . 100 . . . 6189 1 1006 . 1 1 100 100 LEU HD21 H 1 0.825 0.04 . 1 . . . . 100 . . . 6189 1 1007 . 1 1 100 100 LEU HD22 H 1 0.825 0.04 . 1 . . . . 100 . . . 6189 1 1008 . 1 1 100 100 LEU HD23 H 1 0.825 0.04 . 1 . . . . 100 . . . 6189 1 1009 . 1 1 100 100 LEU HG H 1 1.605 0.04 . 1 . . . . 100 . . . 6189 1 1010 . 1 1 100 100 LEU H H 1 8.381 0.04 . 1 . . . . 100 . . . 6189 1 1011 . 1 1 100 100 LEU N N 15 126.632 0.1 . 1 . . . . 100 . . . 6189 1 1012 . 1 1 101 101 SER CA C 13 58.087 0.1 . 1 . . . . 101 . . . 6189 1 1013 . 1 1 101 101 SER CB C 13 63.895 0.1 . 1 . . . . 101 . . . 6189 1 1014 . 1 1 101 101 SER HA H 1 4.510 0.04 . 1 . . . . 101 . . . 6189 1 1015 . 1 1 101 101 SER HB2 H 1 3.847 0.04 . 1 . . . . 101 . . . 6189 1 1016 . 1 1 101 101 SER H H 1 8.308 0.04 . 1 . . . . 101 . . . 6189 1 1017 . 1 1 101 101 SER N N 15 117.587 0.1 . 1 . . . . 101 . . . 6189 1 1018 . 1 1 102 102 THR CA C 13 63.103 0.1 . 1 . . . . 102 . . . 6189 1 1019 . 1 1 102 102 THR CB C 13 70.631 0.1 . 1 . . . . 102 . . . 6189 1 1020 . 1 1 102 102 THR HA H 1 4.127 0.04 . 1 . . . . 102 . . . 6189 1 1021 . 1 1 102 102 THR HB H 1 4.217 0.04 . 1 . . . . 102 . . . 6189 1 1022 . 1 1 102 102 THR HG21 H 1 1.119 0.04 . 1 . . . . 102 . . . 6189 1 1023 . 1 1 102 102 THR HG22 H 1 1.119 0.04 . 1 . . . . 102 . . . 6189 1 1024 . 1 1 102 102 THR HG23 H 1 1.119 0.04 . 1 . . . . 102 . . . 6189 1 1025 . 1 1 102 102 THR H H 1 7.798 0.04 . 1 . . . . 102 . . . 6189 1 1026 . 1 1 102 102 THR N N 15 120.825 0.1 . 1 . . . . 102 . . . 6189 1 stop_ save_