data_6398 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6398 _Entry.Title ; Sulfolobus Solfataricus Acylphosphatase 1H chemical shift assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-11-23 _Entry.Accession_date 2004-11-23 _Entry.Last_release_date . _Entry.Original_release_date . _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 Alessandra Corazza . . . 6398 2 Katiuscia Pagano . . . 6398 3 Paolo Viglino . . . 6398 4 Gennaro Esposito . . . 6398 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6398 coupling_constants 1 6398 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 546 6398 '15N chemical shifts' 100 6398 'coupling constants' 60 6398 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 . . 2006-02-20 . update author 'addition of nitrogen shifts, and related information' 6398 2 . . 2005-12-05 . original author 'original release' 6398 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6398 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16287076 _Citation.Full_citation . _Citation.Title ; Structure, conformational stability, and enzymatic properties of acylphosphatase from the hyperthermophile Sulfolobus solfataricus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 62 _Citation.Journal_issue 1 _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 64 _Citation.Page_last 79 _Citation.Year 2006 _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 Alessandra Corazza . . . 6398 1 2 Camillo Rosano . . . 6398 1 3 Katiuscia Pagano . . . 6398 1 4 V. Alverdi . . . 6398 1 5 Gennaro Esposito . . . 6398 1 6 Cristina Capanni . . . 6398 1 7 Francesco Bemporad . . . 6398 1 8 Georgia Plakoutsi . . . 6398 1 9 Massimo Stefani . . . 6398 1 10 Fabrizio Chiti . . . 6398 1 11 Simone Zuccotti . . . 6398 1 12 Martino Bolognesi . . . 6398 1 13 Paolo Viglino . . . 6398 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 6398 1 X-ray 6398 1 'Sulfolobus solfataricus Acylphosphatase' 6398 1 Hyperthermophile 6398 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6398 _Assembly.ID 1 _Assembly.Name 'Sulfolobus solfataricus acylphosphatase' _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 6398 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 'Sulfolobus solfataricus acylphosphatase' 1 $Sulfolobus_solfataricus_Acylphosphatase . . . native . . . . . 6398 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Sulfolobus solfataricus acylphosphatase' system 6398 1 'Sulfolobus solfataricus acylphosphatase' abbreviation 6398 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sulfolobus_solfataricus_Acylphosphatase _Entity.Sf_category entity _Entity.Sf_framecode Sulfolobus_solfataricus_Acylphosphatase _Entity.Entry_ID 6398 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Sso AcP' _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 ; GSMKKWSDTEVFEMLKRMYA RVYGLVQGVGFRKFVQIHAI RLGIKGYAKNLPDGSVEVVA EGYEEALSKLLERIKQGPPA AEVEKVDYSFSEYKGEFEDF ETY ; _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 103 _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 1Y9O . "1h Nmr Structure Of Acylphosphatase From The Hyperthermophile Sulfolobus Solfataricus" . . . . . 99.03 103 100.00 100.00 6.24e-66 . . . . 6398 1 2 no PDB 2BJD . "Sulfolobus Solfataricus Acylphosphatase. Triclinic Space Group" . . . . . 98.06 101 100.00 100.00 2.82e-65 . . . . 6398 1 3 no PDB 2BJE . "Acylphosphatase From Sulfolobus Solfataricus. Monclinic P21 Space Group" . . . . . 98.06 101 100.00 100.00 2.82e-65 . . . . 6398 1 4 no PDB 4OIX . "Crystal Structure Of Truncated Acylphosphatase From S. Sulfataricus" . . . . . 98.06 101 100.00 100.00 2.82e-65 . . . . 6398 1 5 no PDB 4OJ1 . "Crystal Structure Of Truncated Acylphosphatase From S. Sulfataricus" . . . . . 98.06 101 100.00 100.00 2.82e-65 . . . . 6398 1 6 no PDB 4OJ3 . "The Crystal Structure Of V84p Mutant Of S. Solfataricus Acylphosphatase" . . . . . 98.06 101 99.01 99.01 3.04e-64 . . . . 6398 1 7 no PDB 4OJG . "The Crystal Structure Of V84d Mutant Of S. Solfataricus Acylphosphatase" . . . . . 98.06 101 99.01 99.01 3.11e-64 . . . . 6398 1 8 no PDB 4OJH . "The Crystal Structure Of Truncated, Y86e Mutant Of S. Solfataricus Acylphosphatase" . . . . . 98.06 101 99.01 99.01 5.13e-64 . . . . 6398 1 9 no GB AAK41170 . "Acylphosphatase [Sulfolobus solfataricus P2]" . . . . . 98.06 101 100.00 100.00 2.82e-65 . . . . 6398 1 10 no GB ACP35428 . "acylphosphatase [Sulfolobus islandicus L.S.2.15]" . . . . . 87.38 90 98.89 100.00 8.35e-56 . . . . 6398 1 11 no GB ACP38087 . "acylphosphatase [Sulfolobus islandicus M.14.25]" . . . . . 87.38 90 98.89 100.00 8.35e-56 . . . . 6398 1 12 no GB ACP45594 . "acylphosphatase [Sulfolobus islandicus Y.G.57.14]" . . . . . 87.38 90 98.89 100.00 8.35e-56 . . . . 6398 1 13 no GB ACP48618 . "acylphosphatase [Sulfolobus islandicus Y.N.15.51]" . . . . . 87.38 90 98.89 100.00 8.35e-56 . . . . 6398 1 14 no REF NP_342380 . "acylphosphatase [Sulfolobus solfataricus P2]" . . . . . 98.06 101 100.00 100.00 2.82e-65 . . . . 6398 1 15 no REF WP_009992301 . "acylphosphatase [Sulfolobus solfataricus]" . . . . . 87.38 90 100.00 100.00 2.66e-56 . . . . 6398 1 16 no REF WP_010923147 . "acylphosphatase [Sulfolobus solfataricus]" . . . . . 98.06 101 100.00 100.00 2.82e-65 . . . . 6398 1 17 no REF WP_012711338 . "acylphosphatase [Sulfolobus islandicus]" . . . . . 87.38 90 98.89 100.00 8.35e-56 . . . . 6398 1 18 no REF WP_015581176 . "Acylphosphatase [Sulfolobus islandicus]" . . . . . 87.38 90 97.78 100.00 2.04e-55 . . . . 6398 1 19 no SP Q97ZL0 . "RecName: Full=Acylphosphatase; AltName: Full=Acylphosphate phosphohydrolase [Sulfolobus solfataricus P2]" . . . . . 98.06 101 100.00 100.00 2.82e-65 . . . . 6398 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID acylphoaphatase 6398 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Sso AcP' common 6398 1 'Sso AcP' variant 6398 1 'Sso AcP' abbreviation 6398 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 . 6398 1 2 0 SER . 6398 1 3 1 MET . 6398 1 4 2 LYS . 6398 1 5 3 LYS . 6398 1 6 4 TRP . 6398 1 7 5 SER . 6398 1 8 6 ASP . 6398 1 9 7 THR . 6398 1 10 8 GLU . 6398 1 11 9 VAL . 6398 1 12 10 PHE . 6398 1 13 11 GLU . 6398 1 14 12 MET . 6398 1 15 13 LEU . 6398 1 16 14 LYS . 6398 1 17 15 ARG . 6398 1 18 16 MET . 6398 1 19 17 TYR . 6398 1 20 18 ALA . 6398 1 21 19 ARG . 6398 1 22 20 VAL . 6398 1 23 21 TYR . 6398 1 24 22 GLY . 6398 1 25 23 LEU . 6398 1 26 24 VAL . 6398 1 27 25 GLN . 6398 1 28 26 GLY . 6398 1 29 27 VAL . 6398 1 30 28 GLY . 6398 1 31 29 PHE . 6398 1 32 30 ARG . 6398 1 33 31 LYS . 6398 1 34 32 PHE . 6398 1 35 33 VAL . 6398 1 36 34 GLN . 6398 1 37 35 ILE . 6398 1 38 36 HIS . 6398 1 39 37 ALA . 6398 1 40 38 ILE . 6398 1 41 39 ARG . 6398 1 42 40 LEU . 6398 1 43 41 GLY . 6398 1 44 42 ILE . 6398 1 45 43 LYS . 6398 1 46 44 GLY . 6398 1 47 45 TYR . 6398 1 48 46 ALA . 6398 1 49 47 LYS . 6398 1 50 48 ASN . 6398 1 51 49 LEU . 6398 1 52 50 PRO . 6398 1 53 51 ASP . 6398 1 54 52 GLY . 6398 1 55 53 SER . 6398 1 56 54 VAL . 6398 1 57 55 GLU . 6398 1 58 56 VAL . 6398 1 59 57 VAL . 6398 1 60 58 ALA . 6398 1 61 59 GLU . 6398 1 62 60 GLY . 6398 1 63 61 TYR . 6398 1 64 62 GLU . 6398 1 65 63 GLU . 6398 1 66 64 ALA . 6398 1 67 65 LEU . 6398 1 68 66 SER . 6398 1 69 67 LYS . 6398 1 70 68 LEU . 6398 1 71 69 LEU . 6398 1 72 70 GLU . 6398 1 73 71 ARG . 6398 1 74 72 ILE . 6398 1 75 73 LYS . 6398 1 76 74 GLN . 6398 1 77 75 GLY . 6398 1 78 76 PRO . 6398 1 79 77 PRO . 6398 1 80 78 ALA . 6398 1 81 79 ALA . 6398 1 82 80 GLU . 6398 1 83 81 VAL . 6398 1 84 82 GLU . 6398 1 85 83 LYS . 6398 1 86 84 VAL . 6398 1 87 85 ASP . 6398 1 88 86 TYR . 6398 1 89 87 SER . 6398 1 90 88 PHE . 6398 1 91 89 SER . 6398 1 92 90 GLU . 6398 1 93 91 TYR . 6398 1 94 92 LYS . 6398 1 95 93 GLY . 6398 1 96 94 GLU . 6398 1 97 95 PHE . 6398 1 98 96 GLU . 6398 1 99 97 ASP . 6398 1 100 98 PHE . 6398 1 101 99 GLU . 6398 1 102 100 THR . 6398 1 103 101 TYR . 6398 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 6398 1 . SER 2 2 6398 1 . MET 3 3 6398 1 . LYS 4 4 6398 1 . LYS 5 5 6398 1 . TRP 6 6 6398 1 . SER 7 7 6398 1 . ASP 8 8 6398 1 . THR 9 9 6398 1 . GLU 10 10 6398 1 . VAL 11 11 6398 1 . PHE 12 12 6398 1 . GLU 13 13 6398 1 . MET 14 14 6398 1 . LEU 15 15 6398 1 . LYS 16 16 6398 1 . ARG 17 17 6398 1 . MET 18 18 6398 1 . TYR 19 19 6398 1 . ALA 20 20 6398 1 . ARG 21 21 6398 1 . VAL 22 22 6398 1 . TYR 23 23 6398 1 . GLY 24 24 6398 1 . LEU 25 25 6398 1 . VAL 26 26 6398 1 . GLN 27 27 6398 1 . GLY 28 28 6398 1 . VAL 29 29 6398 1 . GLY 30 30 6398 1 . PHE 31 31 6398 1 . ARG 32 32 6398 1 . LYS 33 33 6398 1 . PHE 34 34 6398 1 . VAL 35 35 6398 1 . GLN 36 36 6398 1 . ILE 37 37 6398 1 . HIS 38 38 6398 1 . ALA 39 39 6398 1 . ILE 40 40 6398 1 . ARG 41 41 6398 1 . LEU 42 42 6398 1 . GLY 43 43 6398 1 . ILE 44 44 6398 1 . LYS 45 45 6398 1 . GLY 46 46 6398 1 . TYR 47 47 6398 1 . ALA 48 48 6398 1 . LYS 49 49 6398 1 . ASN 50 50 6398 1 . LEU 51 51 6398 1 . PRO 52 52 6398 1 . ASP 53 53 6398 1 . GLY 54 54 6398 1 . SER 55 55 6398 1 . VAL 56 56 6398 1 . GLU 57 57 6398 1 . VAL 58 58 6398 1 . VAL 59 59 6398 1 . ALA 60 60 6398 1 . GLU 61 61 6398 1 . GLY 62 62 6398 1 . TYR 63 63 6398 1 . GLU 64 64 6398 1 . GLU 65 65 6398 1 . ALA 66 66 6398 1 . LEU 67 67 6398 1 . SER 68 68 6398 1 . LYS 69 69 6398 1 . LEU 70 70 6398 1 . LEU 71 71 6398 1 . GLU 72 72 6398 1 . ARG 73 73 6398 1 . ILE 74 74 6398 1 . LYS 75 75 6398 1 . GLN 76 76 6398 1 . GLY 77 77 6398 1 . PRO 78 78 6398 1 . PRO 79 79 6398 1 . ALA 80 80 6398 1 . ALA 81 81 6398 1 . GLU 82 82 6398 1 . VAL 83 83 6398 1 . GLU 84 84 6398 1 . LYS 85 85 6398 1 . VAL 86 86 6398 1 . ASP 87 87 6398 1 . TYR 88 88 6398 1 . SER 89 89 6398 1 . PHE 90 90 6398 1 . SER 91 91 6398 1 . GLU 92 92 6398 1 . TYR 93 93 6398 1 . LYS 94 94 6398 1 . GLY 95 95 6398 1 . GLU 96 96 6398 1 . PHE 97 97 6398 1 . GLU 98 98 6398 1 . ASP 99 99 6398 1 . PHE 100 100 6398 1 . GLU 101 101 6398 1 . THR 102 102 6398 1 . TYR 103 103 6398 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 6398 _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 $Sulfolobus_solfataricus_Acylphosphatase . 2287 organism . 'Sulfolobus solfataricus' 'Sulfolobus solfataricus' . . Archaea . Sulfolobus solfataricus . . . . . . . . . . . . . . . . . . 'phylum: crenarchaeon.' . . 6398 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 6398 _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 $Sulfolobus_solfataricus_Acylphosphatase . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6398 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6398 _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 'Sso AcP' . . . 1 $Sulfolobus_solfataricus_Acylphosphatase . . 0.4 . . mM . . . . 6398 1 2 'sodium phosphate buffer' . . . . . . . 50 . . mM . . . . 6398 1 3 NaCl . . . . . . . 50 . . mM . . . . 6398 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6398 _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 'Sso AcP' [U-15N] . . 1 $Sulfolobus_solfataricus_Acylphosphatase . . 0.7 . . mM . . . . 6398 2 2 'sodium phosphate buffer' . . . . . . . 50 . . mM . . . . 6398 2 3 NaCl . . . . . . . 50 . . mM . . . . 6398 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6398 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; Sso AcP 0.4 mM dissolved in aqueous solution with 50 mM sodium phosphate buffer and 50 mM NaCl, pH=5.6. ; 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 0.1 pH 6398 1 temperature 310 0.1 K 6398 1 stop_ save_ save_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_2 _Sample_condition_list.Entry_ID 6398 _Sample_condition_list.ID 2 _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 5.79 0.1 pH 6398 2 temperature 310 0.1 K 6398 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6398 _Software.ID 1 _Software.Name felix _Software.Version 2000 _Software.Details 'NMR data processing' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Accelrys ; Accelrys, Inc. 10188 Telesis Court, Suite 100 San Diego, CA 92121 USA ; . 6398 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 6398 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6398 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6398 _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 500MHz_spectrometer Bruker Avance . 500 . . . 6398 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 6398 _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 COSY . . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6398 1 2 TOCSY . . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6398 1 3 NOESY . . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6398 1 4 1H_15N_HSQC . . . . . . . . . . . 2 $sample_2 . . . . . . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6398 1 5 1H_15N_NOESY-HSQC . . . . . . . . . . . 2 $sample_2 . . . . . . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6398 1 stop_ save_ save_COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode COSY _NMR_spec_expt.Entry_ID 6398 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TOCSY _NMR_spec_expt.Entry_ID 6398 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NOESY _NMR_spec_expt.Entry_ID 6398 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H_15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H_15N_HSQC _NMR_spec_expt.Entry_ID 6398 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 1H_15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H_15N_NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H_15N_NOESY-HSQC _NMR_spec_expt.Entry_ID 6398 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 1H_15N_NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6398 _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 'LEU residue no. 69' 'methyl protons' . . . . ppm 0.529 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6398 1 N 15 'LEU residue no. 69' 'methyl protons' . . . . ppm 0.529 external indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6398 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6398 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _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 . 6398 1 3 NOESY . . . 6398 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 6398 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 4 4 LYS H H 1 8.306 0.01 . 1 . . . . . . . . 6398 1 2 . 1 1 4 4 LYS HA H 1 4.347 0.01 . 1 . . . . . . . . 6398 1 3 . 1 1 4 4 LYS HB2 H 1 2.012 0.01 . 2 . . . . . . . . 6398 1 4 . 1 1 4 4 LYS HB3 H 1 1.746 0.01 . 2 . . . . . . . . 6398 1 5 . 1 1 4 4 LYS HG2 H 1 1.524 0.01 . 2 . . . . . . . . 6398 1 6 . 1 1 4 4 LYS HG3 H 1 1.391 0.01 . 2 . . . . . . . . 6398 1 7 . 1 1 4 4 LYS HD2 H 1 1.869 0.01 . 2 . . . . . . . . 6398 1 8 . 1 1 4 4 LYS HD3 H 1 1.668 0.01 . 2 . . . . . . . . 6398 1 9 . 1 1 4 4 LYS N N 15 122.670 0.26 . 1 . . . . . . . . 6398 1 10 . 1 1 5 5 LYS H H 1 8.277 0.01 . 1 . . . . . . . . 6398 1 11 . 1 1 5 5 LYS HA H 1 4.377 0.01 . 1 . . . . . . . . 6398 1 12 . 1 1 5 5 LYS HB2 H 1 1.783 0.01 . 2 . . . . . . . . 6398 1 13 . 1 1 5 5 LYS HB3 H 1 1.438 0.01 . 2 . . . . . . . . 6398 1 14 . 1 1 5 5 LYS HG2 H 1 1.374 0.01 . 2 . . . . . . . . 6398 1 15 . 1 1 5 5 LYS HG3 H 1 1.725 0.01 . 2 . . . . . . . . 6398 1 16 . 1 1 5 5 LYS N N 15 122.637 0.26 . 1 . . . . . . . . 6398 1 17 . 1 1 6 6 TRP H H 1 8.184 0.01 . 1 . . . . . . . . 6398 1 18 . 1 1 6 6 TRP HA H 1 4.763 0.01 . 1 . . . . . . . . 6398 1 19 . 1 1 6 6 TRP HB2 H 1 3.412 0.01 . 2 . . . . . . . . 6398 1 20 . 1 1 6 6 TRP HB3 H 1 3.341 0.01 . 2 . . . . . . . . 6398 1 21 . 1 1 6 6 TRP HD1 H 1 7.352 0.01 . 1 . . . . . . . . 6398 1 22 . 1 1 6 6 TRP HE1 H 1 10.178 0.01 . 1 . . . . . . . . 6398 1 23 . 1 1 6 6 TRP HE3 H 1 7.728 0.01 . 1 . . . . . . . . 6398 1 24 . 1 1 6 6 TRP HZ3 H 1 7.235 0.01 . 1 . . . . . . . . 6398 1 25 . 1 1 6 6 TRP HH2 H 1 7.339 0.01 . 1 . . . . . . . . 6398 1 26 . 1 1 6 6 TRP HZ2 H 1 7.596 0.01 . 1 . . . . . . . . 6398 1 27 . 1 1 6 6 TRP N N 15 122.062 0.26 . 1 . . . . . . . . 6398 1 28 . 1 1 7 7 SER H H 1 8.064 0.01 . 1 . . . . . . . . 6398 1 29 . 1 1 7 7 SER HA H 1 4.476 0.01 . 1 . . . . . . . . 6398 1 30 . 1 1 7 7 SER HB2 H 1 3.942 0.01 . 2 . . . . . . . . 6398 1 31 . 1 1 7 7 SER HB3 H 1 3.758 0.01 . 2 . . . . . . . . 6398 1 32 . 1 1 7 7 SER N N 15 116.136 0.26 . 1 . . . . . . . . 6398 1 33 . 1 1 8 8 ASP H H 1 8.346 0.01 . 1 . . . . . . . . 6398 1 34 . 1 1 8 8 ASP HA H 1 4.706 0.01 . 1 . . . . . . . . 6398 1 35 . 1 1 8 8 ASP HB2 H 1 2.843 0.01 . 2 . . . . . . . . 6398 1 36 . 1 1 8 8 ASP HB3 H 1 2.785 0.01 . 2 . . . . . . . . 6398 1 37 . 1 1 8 8 ASP N N 15 122.032 0.26 . 1 . . . . . . . . 6398 1 38 . 1 1 9 9 THR H H 1 8.000 0.01 . 1 . . . . . . . . 6398 1 39 . 1 1 9 9 THR HA H 1 4.382 0.01 . 1 . . . . . . . . 6398 1 40 . 1 1 9 9 THR HB H 1 4.314 0.01 . 1 . . . . . . . . 6398 1 41 . 1 1 9 9 THR N N 15 112.407 0.26 . 1 . . . . . . . . 6398 1 42 . 1 1 10 10 GLU H H 1 8.206 0.01 . 1 . . . . . . . . 6398 1 43 . 1 1 10 10 GLU HA H 1 4.338 0.01 . 1 . . . . . . . . 6398 1 44 . 1 1 10 10 GLU HG2 H 1 2.314 0.01 . 2 . . . . . . . . 6398 1 45 . 1 1 10 10 GLU HG3 H 1 2.259 0.01 . 2 . . . . . . . . 6398 1 46 . 1 1 11 11 VAL H H 1 7.912 0.01 . 1 . . . . . . . . 6398 1 47 . 1 1 11 11 VAL HA H 1 4.127 0.01 . 1 . . . . . . . . 6398 1 48 . 1 1 11 11 VAL HB H 1 2.097 0.01 . 1 . . . . . . . . 6398 1 49 . 1 1 11 11 VAL N N 15 119.527 0.26 . 1 . . . . . . . . 6398 1 50 . 1 1 12 12 PHE H H 1 8.127 0.01 . 1 . . . . . . . . 6398 1 51 . 1 1 12 12 PHE HA H 1 4.613 0.01 . 1 . . . . . . . . 6398 1 52 . 1 1 12 12 PHE HB2 H 1 3.222 0.01 . 2 . . . . . . . . 6398 1 53 . 1 1 12 12 PHE HB3 H 1 3.092 0.01 . 2 . . . . . . . . 6398 1 54 . 1 1 12 12 PHE HD1 H 1 7.296 0.01 . 3 . . . . . . . . 6398 1 55 . 1 1 12 12 PHE HE1 H 1 7.195 0.01 . 3 . . . . . . . . 6398 1 56 . 1 1 12 12 PHE N N 15 122.599 0.26 . 1 . . . . . . . . 6398 1 57 . 1 1 13 13 GLU H H 1 8.191 0.01 . 1 . . . . . . . . 6398 1 58 . 1 1 13 13 GLU HA H 1 4.395 0.01 . 1 . . . . . . . . 6398 1 59 . 1 1 13 13 GLU HB2 H 1 1.989 0.01 . 2 . . . . . . . . 6398 1 60 . 1 1 13 13 GLU HB3 H 1 2.134 0.01 . 2 . . . . . . . . 6398 1 61 . 1 1 13 13 GLU N N 15 120.273 0.26 . 1 . . . . . . . . 6398 1 62 . 1 1 14 14 MET H H 1 8.406 0.01 . 1 . . . . . . . . 6398 1 63 . 1 1 14 14 MET HA H 1 4.706 0.01 . 1 . . . . . . . . 6398 1 64 . 1 1 14 14 MET HB2 H 1 2.324 0.01 . 2 . . . . . . . . 6398 1 65 . 1 1 14 14 MET HB3 H 1 2.218 0.01 . 2 . . . . . . . . 6398 1 66 . 1 1 14 14 MET N N 15 119.364 0.26 . 1 . . . . . . . . 6398 1 67 . 1 1 15 15 LEU H H 1 7.927 0.01 . 1 . . . . . . . . 6398 1 68 . 1 1 15 15 LEU HA H 1 4.483 0.01 . 1 . . . . . . . . 6398 1 69 . 1 1 15 15 LEU HB2 H 1 1.172 0.01 . 1 . . . . . . . . 6398 1 70 . 1 1 15 15 LEU HB3 H 1 0.454 0.01 . 1 . . . . . . . . 6398 1 71 . 1 1 15 15 LEU HG H 1 1.172 0.01 . 1 . . . . . . . . 6398 1 72 . 1 1 15 15 LEU HD11 H 1 0.222 0.01 . 2 . . . . . . . . 6398 1 73 . 1 1 15 15 LEU HD12 H 1 0.222 0.01 . 2 . . . . . . . . 6398 1 74 . 1 1 15 15 LEU HD13 H 1 0.222 0.01 . 2 . . . . . . . . 6398 1 75 . 1 1 15 15 LEU HD21 H 1 -0.099 0.01 . 2 . . . . . . . . 6398 1 76 . 1 1 15 15 LEU HD22 H 1 -0.099 0.01 . 2 . . . . . . . . 6398 1 77 . 1 1 15 15 LEU HD23 H 1 -0.099 0.01 . 2 . . . . . . . . 6398 1 78 . 1 1 15 15 LEU N N 15 123.115 0.26 . 1 . . . . . . . . 6398 1 79 . 1 1 16 16 LYS H H 1 8.953 0.01 . 1 . . . . . . . . 6398 1 80 . 1 1 16 16 LYS HA H 1 4.968 0.01 . 1 . . . . . . . . 6398 1 81 . 1 1 16 16 LYS N N 15 119.774 0.26 . 1 . . . . . . . . 6398 1 82 . 1 1 17 17 ARG H H 1 8.462 0.01 . 1 . . . . . . . . 6398 1 83 . 1 1 17 17 ARG HA H 1 5.636 0.01 . 1 . . . . . . . . 6398 1 84 . 1 1 17 17 ARG N N 15 120.285 0.26 . 1 . . . . . . . . 6398 1 85 . 1 1 18 18 MET H H 1 10.153 0.01 . 1 . . . . . . . . 6398 1 86 . 1 1 18 18 MET HA H 1 5.237 0.01 . 1 . . . . . . . . 6398 1 87 . 1 1 18 18 MET HB2 H 1 2.152 0.01 . 1 . . . . . . . . 6398 1 88 . 1 1 18 18 MET HB3 H 1 1.895 0.01 . 1 . . . . . . . . 6398 1 89 . 1 1 18 18 MET HE1 H 1 1.753 0.01 . 1 . . . . . . . . 6398 1 90 . 1 1 18 18 MET HE2 H 1 1.753 0.01 . 1 . . . . . . . . 6398 1 91 . 1 1 18 18 MET HE3 H 1 1.753 0.01 . 1 . . . . . . . . 6398 1 92 . 1 1 18 18 MET N N 15 127.633 0.26 . 1 . . . . . . . . 6398 1 93 . 1 1 19 19 TYR H H 1 8.812 0.01 . 1 . . . . . . . . 6398 1 94 . 1 1 19 19 TYR HA H 1 5.231 0.01 . 1 . . . . . . . . 6398 1 95 . 1 1 19 19 TYR HD1 H 1 7.108 0.01 . 3 . . . . . . . . 6398 1 96 . 1 1 19 19 TYR HE1 H 1 6.807 0.01 . 3 . . . . . . . . 6398 1 97 . 1 1 19 19 TYR N N 15 127.366 0.26 . 1 . . . . . . . . 6398 1 98 . 1 1 20 20 ALA H H 1 9.122 0.01 . 1 . . . . . . . . 6398 1 99 . 1 1 20 20 ALA HA H 1 5.436 0.01 . 1 . . . . . . . . 6398 1 100 . 1 1 20 20 ALA HB1 H 1 1.126 0.01 . 1 . . . . . . . . 6398 1 101 . 1 1 20 20 ALA HB2 H 1 1.126 0.01 . 1 . . . . . . . . 6398 1 102 . 1 1 20 20 ALA HB3 H 1 1.126 0.01 . 1 . . . . . . . . 6398 1 103 . 1 1 20 20 ALA N N 15 127.594 0.26 . 1 . . . . . . . . 6398 1 104 . 1 1 21 21 ARG H H 1 9.064 0.01 . 1 . . . . . . . . 6398 1 105 . 1 1 21 21 ARG HA H 1 5.237 0.01 . 1 . . . . . . . . 6398 1 106 . 1 1 21 21 ARG HB2 H 1 1.939 0.01 . 2 . . . . . . . . 6398 1 107 . 1 1 21 21 ARG HB3 H 1 1.810 0.01 . 2 . . . . . . . . 6398 1 108 . 1 1 21 21 ARG HD2 H 1 3.282 0.01 . 2 . . . . . . . . 6398 1 109 . 1 1 21 21 ARG HD3 H 1 3.155 0.01 . 2 . . . . . . . . 6398 1 110 . 1 1 21 21 ARG HE H 1 7.625 0.01 . 1 . . . . . . . . 6398 1 111 . 1 1 21 21 ARG N N 15 122.390 0.26 . 1 . . . . . . . . 6398 1 112 . 1 1 21 21 ARG NE N 15 118.455 0.26 . 1 . . . . . . . . 6398 1 113 . 1 1 22 22 VAL H H 1 9.081 0.01 . 1 . . . . . . . . 6398 1 114 . 1 1 22 22 VAL HA H 1 4.572 0.01 . 1 . . . . . . . . 6398 1 115 . 1 1 22 22 VAL HB H 1 1.733 0.01 . 1 . . . . . . . . 6398 1 116 . 1 1 22 22 VAL HG11 H 1 0.859 0.01 . 2 . . . . . . . . 6398 1 117 . 1 1 22 22 VAL HG12 H 1 0.859 0.01 . 2 . . . . . . . . 6398 1 118 . 1 1 22 22 VAL HG13 H 1 0.859 0.01 . 2 . . . . . . . . 6398 1 119 . 1 1 22 22 VAL HG21 H 1 0.810 0.01 . 2 . . . . . . . . 6398 1 120 . 1 1 22 22 VAL HG22 H 1 0.810 0.01 . 2 . . . . . . . . 6398 1 121 . 1 1 22 22 VAL HG23 H 1 0.810 0.01 . 2 . . . . . . . . 6398 1 122 . 1 1 22 22 VAL N N 15 125.290 0.26 . 1 . . . . . . . . 6398 1 123 . 1 1 23 23 TYR H H 1 8.770 0.01 . 1 . . . . . . . . 6398 1 124 . 1 1 23 23 TYR HA H 1 5.090 0.01 . 1 . . . . . . . . 6398 1 125 . 1 1 23 23 TYR HB2 H 1 2.799 0.01 . 1 . . . . . . . . 6398 1 126 . 1 1 23 23 TYR HB3 H 1 3.203 0.01 . 1 . . . . . . . . 6398 1 127 . 1 1 23 23 TYR HD1 H 1 7.150 0.01 . 3 . . . . . . . . 6398 1 128 . 1 1 23 23 TYR HE1 H 1 6.809 0.01 . 3 . . . . . . . . 6398 1 129 . 1 1 23 23 TYR N N 15 122.407 0.26 . 1 . . . . . . . . 6398 1 130 . 1 1 24 24 GLY H H 1 9.125 0.01 . 1 . . . . . . . . 6398 1 131 . 1 1 24 24 GLY HA2 H 1 4.944 0.01 . 2 . . . . . . . . 6398 1 132 . 1 1 24 24 GLY HA3 H 1 3.927 0.01 . 2 . . . . . . . . 6398 1 133 . 1 1 24 24 GLY N N 15 109.928 0.26 . 1 . . . . . . . . 6398 1 134 . 1 1 25 25 LEU H H 1 8.872 0.01 . 1 . . . . . . . . 6398 1 135 . 1 1 25 25 LEU HA H 1 4.879 0.01 . 1 . . . . . . . . 6398 1 136 . 1 1 25 25 LEU HB2 H 1 1.998 0.01 . 1 . . . . . . . . 6398 1 137 . 1 1 25 25 LEU HB3 H 1 1.722 0.01 . 1 . . . . . . . . 6398 1 138 . 1 1 25 25 LEU HG H 1 1.814 0.01 . 1 . . . . . . . . 6398 1 139 . 1 1 25 25 LEU N N 15 129.193 0.26 . 1 . . . . . . . . 6398 1 140 . 1 1 26 26 VAL H H 1 7.879 0.01 . 1 . . . . . . . . 6398 1 141 . 1 1 26 26 VAL HA H 1 4.500 0.01 . 1 . . . . . . . . 6398 1 142 . 1 1 26 26 VAL HB H 1 1.852 0.01 . 1 . . . . . . . . 6398 1 143 . 1 1 26 26 VAL HG11 H 1 0.704 0.01 . 2 . . . . . . . . 6398 1 144 . 1 1 26 26 VAL HG12 H 1 0.704 0.01 . 2 . . . . . . . . 6398 1 145 . 1 1 26 26 VAL HG13 H 1 0.704 0.01 . 2 . . . . . . . . 6398 1 146 . 1 1 26 26 VAL HG21 H 1 0.467 0.01 . 2 . . . . . . . . 6398 1 147 . 1 1 26 26 VAL HG22 H 1 0.467 0.01 . 2 . . . . . . . . 6398 1 148 . 1 1 26 26 VAL HG23 H 1 0.467 0.01 . 2 . . . . . . . . 6398 1 149 . 1 1 26 26 VAL N N 15 111.296 0.26 . 1 . . . . . . . . 6398 1 150 . 1 1 27 27 GLN H H 1 7.878 0.01 . 1 . . . . . . . . 6398 1 151 . 1 1 27 27 GLN HA H 1 5.098 0.01 . 1 . . . . . . . . 6398 1 152 . 1 1 27 27 GLN HB2 H 1 2.095 0.01 . 2 . . . . . . . . 6398 1 153 . 1 1 27 27 GLN HB3 H 1 2.054 0.01 . 2 . . . . . . . . 6398 1 154 . 1 1 27 27 GLN HG2 H 1 2.495 0.01 . 2 . . . . . . . . 6398 1 155 . 1 1 27 27 GLN HG3 H 1 2.266 0.01 . 2 . . . . . . . . 6398 1 156 . 1 1 27 27 GLN HE21 H 1 6.629 0.01 . 1 . . . . . . . . 6398 1 157 . 1 1 27 27 GLN HE22 H 1 7.701 0.01 . 1 . . . . . . . . 6398 1 158 . 1 1 27 27 GLN N N 15 118.862 0.26 . 1 . . . . . . . . 6398 1 159 . 1 1 27 27 GLN NE2 N 15 111.441 0.26 . 1 . . . . . . . . 6398 1 160 . 1 1 28 28 GLY H H 1 10.409 0.01 . 1 . . . . . . . . 6398 1 161 . 1 1 28 28 GLY HA2 H 1 4.233 0.01 . 2 . . . . . . . . 6398 1 162 . 1 1 28 28 GLY HA3 H 1 4.041 0.01 . 2 . . . . . . . . 6398 1 163 . 1 1 28 28 GLY N N 15 112.946 0.26 . 1 . . . . . . . . 6398 1 164 . 1 1 29 29 VAL H H 1 7.892 0.01 . 1 . . . . . . . . 6398 1 165 . 1 1 29 29 VAL HA H 1 4.684 0.01 . 1 . . . . . . . . 6398 1 166 . 1 1 29 29 VAL HB H 1 2.403 0.01 . 1 . . . . . . . . 6398 1 167 . 1 1 29 29 VAL HG11 H 1 0.755 0.01 . 2 . . . . . . . . 6398 1 168 . 1 1 29 29 VAL HG12 H 1 0.755 0.01 . 2 . . . . . . . . 6398 1 169 . 1 1 29 29 VAL HG13 H 1 0.755 0.01 . 2 . . . . . . . . 6398 1 170 . 1 1 29 29 VAL HG21 H 1 0.694 0.01 . 2 . . . . . . . . 6398 1 171 . 1 1 29 29 VAL HG22 H 1 0.694 0.01 . 2 . . . . . . . . 6398 1 172 . 1 1 29 29 VAL HG23 H 1 0.694 0.01 . 2 . . . . . . . . 6398 1 173 . 1 1 29 29 VAL N N 15 108.865 0.26 . 1 . . . . . . . . 6398 1 174 . 1 1 30 30 GLY H H 1 10.200 0.01 . 1 . . . . . . . . 6398 1 175 . 1 1 30 30 GLY N N 15 114.845 0.26 . 1 . . . . . . . . 6398 1 176 . 1 1 31 31 PHE H H 1 9.700 0.01 . 1 . . . . . . . . 6398 1 177 . 1 1 31 31 PHE HA H 1 3.827 0.01 . 1 . . . . . . . . 6398 1 178 . 1 1 31 31 PHE HB2 H 1 3.866 0.01 . 2 . . . . . . . . 6398 1 179 . 1 1 31 31 PHE HB3 H 1 2.940 0.01 . 2 . . . . . . . . 6398 1 180 . 1 1 31 31 PHE HD1 H 1 7.108 0.01 . 3 . . . . . . . . 6398 1 181 . 1 1 31 31 PHE HE1 H 1 6.807 0.01 . 3 . . . . . . . . 6398 1 182 . 1 1 31 31 PHE N N 15 124.728 0.26 . 1 . . . . . . . . 6398 1 183 . 1 1 32 32 ARG H H 1 9.144 0.01 . 1 . . . . . . . . 6398 1 184 . 1 1 32 32 ARG HA H 1 4.707 0.01 . 1 . . . . . . . . 6398 1 185 . 1 1 32 32 ARG HG2 H 1 1.637 0.01 . 2 . . . . . . . . 6398 1 186 . 1 1 32 32 ARG HG3 H 1 1.541 0.01 . 2 . . . . . . . . 6398 1 187 . 1 1 32 32 ARG N N 15 117.861 0.26 . 1 . . . . . . . . 6398 1 188 . 1 1 33 33 LYS H H 1 8.922 0.01 . 1 . . . . . . . . 6398 1 189 . 1 1 33 33 LYS HA H 1 4.081 0.01 . 1 . . . . . . . . 6398 1 190 . 1 1 33 33 LYS HB2 H 1 1.920 0.01 . 1 . . . . . . . . 6398 1 191 . 1 1 33 33 LYS HB3 H 1 1.859 0.01 . 1 . . . . . . . . 6398 1 192 . 1 1 33 33 LYS N N 15 118.904 0.26 . 1 . . . . . . . . 6398 1 193 . 1 1 34 34 PHE H H 1 7.754 0.01 . 1 . . . . . . . . 6398 1 194 . 1 1 34 34 PHE HA H 1 4.288 0.01 . 1 . . . . . . . . 6398 1 195 . 1 1 34 34 PHE HB2 H 1 3.370 0.01 . 1 . . . . . . . . 6398 1 196 . 1 1 34 34 PHE HB3 H 1 3.220 0.01 . 1 . . . . . . . . 6398 1 197 . 1 1 34 34 PHE HD1 H 1 7.127 0.01 . 3 . . . . . . . . 6398 1 198 . 1 1 34 34 PHE HE1 H 1 7.187 0.01 . 3 . . . . . . . . 6398 1 199 . 1 1 34 34 PHE N N 15 119.339 0.26 . 1 . . . . . . . . 6398 1 200 . 1 1 35 35 VAL H H 1 8.376 0.01 . 1 . . . . . . . . 6398 1 201 . 1 1 35 35 VAL HA H 1 3.088 0.01 . 1 . . . . . . . . 6398 1 202 . 1 1 35 35 VAL HB H 1 2.210 0.01 . 1 . . . . . . . . 6398 1 203 . 1 1 35 35 VAL HG11 H 1 1.129 0.01 . 1 . . . . . . . . 6398 1 204 . 1 1 35 35 VAL HG12 H 1 1.129 0.01 . 1 . . . . . . . . 6398 1 205 . 1 1 35 35 VAL HG13 H 1 1.129 0.01 . 1 . . . . . . . . 6398 1 206 . 1 1 35 35 VAL HG21 H 1 0.873 0.01 . 1 . . . . . . . . 6398 1 207 . 1 1 35 35 VAL HG22 H 1 0.873 0.01 . 1 . . . . . . . . 6398 1 208 . 1 1 35 35 VAL HG23 H 1 0.873 0.01 . 1 . . . . . . . . 6398 1 209 . 1 1 35 35 VAL N N 15 118.429 0.26 . 1 . . . . . . . . 6398 1 210 . 1 1 36 36 GLN H H 1 8.296 0.01 . 1 . . . . . . . . 6398 1 211 . 1 1 36 36 GLN HA H 1 3.401 0.01 . 1 . . . . . . . . 6398 1 212 . 1 1 36 36 GLN HB2 H 1 2.608 0.01 . 2 . . . . . . . . 6398 1 213 . 1 1 36 36 GLN HB3 H 1 2.232 0.01 . 2 . . . . . . . . 6398 1 214 . 1 1 36 36 GLN HG2 H 1 2.382 0.01 . 2 . . . . . . . . 6398 1 215 . 1 1 36 36 GLN HG3 H 1 1.865 0.01 . 2 . . . . . . . . 6398 1 216 . 1 1 36 36 GLN N N 15 118.756 0.26 . 1 . . . . . . . . 6398 1 217 . 1 1 36 36 GLN HE21 H 1 7.944 0.01 . 2 . . . . . . . . 6398 1 218 . 1 1 36 36 GLN HE22 H 1 7.245 0.01 . 2 . . . . . . . . 6398 1 219 . 1 1 36 36 GLN NE2 N 15 113.062 0.26 . 1 . . . . . . . . 6398 1 220 . 1 1 37 37 ILE H H 1 8.483 0.01 . 1 . . . . . . . . 6398 1 221 . 1 1 37 37 ILE HA H 1 3.638 0.01 . 1 . . . . . . . . 6398 1 222 . 1 1 37 37 ILE HB H 1 1.708 0.01 . 1 . . . . . . . . 6398 1 223 . 1 1 37 37 ILE HG12 H 1 1.585 0.01 . 2 . . . . . . . . 6398 1 224 . 1 1 37 37 ILE HG13 H 1 1.189 0.01 . 2 . . . . . . . . 6398 1 225 . 1 1 37 37 ILE HG21 H 1 0.579 0.01 . 1 . . . . . . . . 6398 1 226 . 1 1 37 37 ILE HG22 H 1 0.579 0.01 . 1 . . . . . . . . 6398 1 227 . 1 1 37 37 ILE HG23 H 1 0.579 0.01 . 1 . . . . . . . . 6398 1 228 . 1 1 37 37 ILE HD11 H 1 0.812 0.01 . 1 . . . . . . . . 6398 1 229 . 1 1 37 37 ILE HD12 H 1 0.812 0.01 . 1 . . . . . . . . 6398 1 230 . 1 1 37 37 ILE HD13 H 1 0.812 0.01 . 1 . . . . . . . . 6398 1 231 . 1 1 37 37 ILE N N 15 117.723 0.26 . 1 . . . . . . . . 6398 1 232 . 1 1 38 38 HIS H H 1 7.026 0.01 . 1 . . . . . . . . 6398 1 233 . 1 1 38 38 HIS HA H 1 4.043 0.01 . 1 . . . . . . . . 6398 1 234 . 1 1 38 38 HIS HD2 H 1 5.651 0.01 . 1 . . . . . . . . 6398 1 235 . 1 1 38 38 HIS N N 15 117.848 0.26 . 1 . . . . . . . . 6398 1 236 . 1 1 39 39 ALA H H 1 8.811 0.01 . 1 . . . . . . . . 6398 1 237 . 1 1 39 39 ALA HA H 1 3.654 0.01 . 1 . . . . . . . . 6398 1 238 . 1 1 39 39 ALA HB1 H 1 0.489 0.01 . 1 . . . . . . . . 6398 1 239 . 1 1 39 39 ALA HB2 H 1 0.489 0.01 . 1 . . . . . . . . 6398 1 240 . 1 1 39 39 ALA HB3 H 1 0.489 0.01 . 1 . . . . . . . . 6398 1 241 . 1 1 39 39 ALA N N 15 121.962 0.26 . 1 . . . . . . . . 6398 1 242 . 1 1 40 40 ILE H H 1 8.446 0.01 . 1 . . . . . . . . 6398 1 243 . 1 1 40 40 ILE HA H 1 3.997 0.01 . 1 . . . . . . . . 6398 1 244 . 1 1 40 40 ILE HB H 1 1.914 0.01 . 1 . . . . . . . . 6398 1 245 . 1 1 40 40 ILE HG21 H 1 1.042 0.01 . 1 . . . . . . . . 6398 1 246 . 1 1 40 40 ILE HG22 H 1 1.042 0.01 . 1 . . . . . . . . 6398 1 247 . 1 1 40 40 ILE HG23 H 1 1.042 0.01 . 1 . . . . . . . . 6398 1 248 . 1 1 40 40 ILE HD11 H 1 1.089 0.01 . 1 . . . . . . . . 6398 1 249 . 1 1 40 40 ILE HD12 H 1 1.089 0.01 . 1 . . . . . . . . 6398 1 250 . 1 1 40 40 ILE HD13 H 1 1.089 0.01 . 1 . . . . . . . . 6398 1 251 . 1 1 40 40 ILE N N 15 118.152 0.26 . 1 . . . . . . . . 6398 1 252 . 1 1 41 41 ARG H H 1 7.532 0.01 . 1 . . . . . . . . 6398 1 253 . 1 1 41 41 ARG HA H 1 4.137 0.01 . 1 . . . . . . . . 6398 1 254 . 1 1 41 41 ARG HB2 H 1 2.027 0.01 . 2 . . . . . . . . 6398 1 255 . 1 1 41 41 ARG HB3 H 1 1.959 0.01 . 2 . . . . . . . . 6398 1 256 . 1 1 41 41 ARG HG2 H 1 1.828 0.01 . 2 . . . . . . . . 6398 1 257 . 1 1 41 41 ARG HG3 H 1 1.739 0.01 . 2 . . . . . . . . 6398 1 258 . 1 1 41 41 ARG N N 15 120.361 0.26 . 1 . . . . . . . . 6398 1 259 . 1 1 42 42 LEU H H 1 7.610 0.01 . 1 . . . . . . . . 6398 1 260 . 1 1 42 42 LEU HA H 1 4.466 0.01 . 1 . . . . . . . . 6398 1 261 . 1 1 42 42 LEU HG H 1 1.780 0.01 . 1 . . . . . . . . 6398 1 262 . 1 1 42 42 LEU HD11 H 1 1.022 0.01 . 2 . . . . . . . . 6398 1 263 . 1 1 42 42 LEU HD12 H 1 1.022 0.01 . 2 . . . . . . . . 6398 1 264 . 1 1 42 42 LEU HD13 H 1 1.022 0.01 . 2 . . . . . . . . 6398 1 265 . 1 1 42 42 LEU HD21 H 1 0.871 0.01 . 2 . . . . . . . . 6398 1 266 . 1 1 42 42 LEU HD22 H 1 0.871 0.01 . 2 . . . . . . . . 6398 1 267 . 1 1 42 42 LEU HD23 H 1 0.871 0.01 . 2 . . . . . . . . 6398 1 268 . 1 1 42 42 LEU N N 15 116.782 0.26 . 1 . . . . . . . . 6398 1 269 . 1 1 43 43 GLY H H 1 7.936 0.01 . 1 . . . . . . . . 6398 1 270 . 1 1 43 43 GLY HA2 H 1 4.205 0.01 . 2 . . . . . . . . 6398 1 271 . 1 1 43 43 GLY HA3 H 1 4.089 0.01 . 2 . . . . . . . . 6398 1 272 . 1 1 43 43 GLY N N 15 109.245 0.26 . 1 . . . . . . . . 6398 1 273 . 1 1 44 44 ILE H H 1 8.452 0.01 . 1 . . . . . . . . 6398 1 274 . 1 1 44 44 ILE HA H 1 4.415 0.01 . 1 . . . . . . . . 6398 1 275 . 1 1 44 44 ILE HB H 1 1.668 0.01 . 1 . . . . . . . . 6398 1 276 . 1 1 44 44 ILE HG21 H 1 0.837 0.01 . 1 . . . . . . . . 6398 1 277 . 1 1 44 44 ILE HG22 H 1 0.837 0.01 . 1 . . . . . . . . 6398 1 278 . 1 1 44 44 ILE HG23 H 1 0.837 0.01 . 1 . . . . . . . . 6398 1 279 . 1 1 44 44 ILE HD11 H 1 0.979 0.01 . 1 . . . . . . . . 6398 1 280 . 1 1 44 44 ILE HD12 H 1 0.979 0.01 . 1 . . . . . . . . 6398 1 281 . 1 1 44 44 ILE HD13 H 1 0.979 0.01 . 1 . . . . . . . . 6398 1 282 . 1 1 44 44 ILE N N 15 122.642 0.26 . 1 . . . . . . . . 6398 1 283 . 1 1 45 45 LYS H H 1 8.233 0.01 . 1 . . . . . . . . 6398 1 284 . 1 1 45 45 LYS HA H 1 4.757 0.01 . 1 . . . . . . . . 6398 1 285 . 1 1 45 45 LYS HB2 H 1 2.074 0.01 . 2 . . . . . . . . 6398 1 286 . 1 1 45 45 LYS HB3 H 1 1.904 0.01 . 2 . . . . . . . . 6398 1 287 . 1 1 45 45 LYS HG2 H 1 1.559 0.01 . 2 . . . . . . . . 6398 1 288 . 1 1 45 45 LYS HG3 H 1 1.309 0.01 . 2 . . . . . . . . 6398 1 289 . 1 1 45 45 LYS HZ1 H 1 7.371 0.01 . 1 . . . . . . . . 6398 1 290 . 1 1 45 45 LYS HZ2 H 1 7.371 0.01 . 1 . . . . . . . . 6398 1 291 . 1 1 45 45 LYS HZ3 H 1 7.371 0.01 . 1 . . . . . . . . 6398 1 292 . 1 1 45 45 LYS N N 15 124.790 0.26 . 1 . . . . . . . . 6398 1 293 . 1 1 46 46 GLY H H 1 8.728 0.01 . 1 . . . . . . . . 6398 1 294 . 1 1 46 46 GLY HA2 H 1 4.791 0.01 . 2 . . . . . . . . 6398 1 295 . 1 1 46 46 GLY HA3 H 1 1.737 0.01 . 2 . . . . . . . . 6398 1 296 . 1 1 46 46 GLY N N 15 108.334 0.26 . 1 . . . . . . . . 6398 1 297 . 1 1 47 47 TYR H H 1 8.590 0.01 . 1 . . . . . . . . 6398 1 298 . 1 1 47 47 TYR HA H 1 4.684 0.01 . 1 . . . . . . . . 6398 1 299 . 1 1 47 47 TYR HB2 H 1 2.710 0.01 . 2 . . . . . . . . 6398 1 300 . 1 1 47 47 TYR HB3 H 1 2.539 0.01 . 2 . . . . . . . . 6398 1 301 . 1 1 47 47 TYR HD1 H 1 6.609 0.01 . 3 . . . . . . . . 6398 1 302 . 1 1 47 47 TYR HE1 H 1 6.539 0.01 . 3 . . . . . . . . 6398 1 303 . 1 1 47 47 TYR N N 15 119.691 0.26 . 1 . . . . . . . . 6398 1 304 . 1 1 48 48 ALA H H 1 7.896 0.01 . 1 . . . . . . . . 6398 1 305 . 1 1 48 48 ALA HA H 1 5.803 0.01 . 1 . . . . . . . . 6398 1 306 . 1 1 48 48 ALA HB1 H 1 1.563 0.01 . 1 . . . . . . . . 6398 1 307 . 1 1 48 48 ALA HB2 H 1 1.563 0.01 . 1 . . . . . . . . 6398 1 308 . 1 1 48 48 ALA HB3 H 1 1.563 0.01 . 1 . . . . . . . . 6398 1 309 . 1 1 48 48 ALA N N 15 118.372 0.26 . 1 . . . . . . . . 6398 1 310 . 1 1 49 49 LYS H H 1 9.816 0.01 . 1 . . . . . . . . 6398 1 311 . 1 1 49 49 LYS HA H 1 5.640 0.01 . 1 . . . . . . . . 6398 1 312 . 1 1 49 49 LYS HB2 H 1 2.047 0.01 . 2 . . . . . . . . 6398 1 313 . 1 1 49 49 LYS HB3 H 1 1.917 0.01 . 2 . . . . . . . . 6398 1 314 . 1 1 49 49 LYS HG2 H 1 1.575 0.01 . 2 . . . . . . . . 6398 1 315 . 1 1 49 49 LYS HG3 H 1 1.418 0.01 . 2 . . . . . . . . 6398 1 316 . 1 1 49 49 LYS N N 15 123.305 0.26 . 1 . . . . . . . . 6398 1 317 . 1 1 50 50 ASN H H 1 8.406 0.01 . 1 . . . . . . . . 6398 1 318 . 1 1 50 50 ASN HA H 1 5.151 0.01 . 1 . . . . . . . . 6398 1 319 . 1 1 50 50 ASN HB2 H 1 3.130 0.01 . 1 . . . . . . . . 6398 1 320 . 1 1 50 50 ASN HB3 H 1 2.822 0.01 . 1 . . . . . . . . 6398 1 321 . 1 1 50 50 ASN N N 15 126.089 0.26 . 1 . . . . . . . . 6398 1 322 . 1 1 50 50 ASN ND2 N 15 109.769 0.26 . 1 . . . . . . . . 6398 1 323 . 1 1 51 51 LEU H H 1 8.380 0.01 . 1 . . . . . . . . 6398 1 324 . 1 1 51 51 LEU HA H 1 4.996 0.01 . 1 . . . . . . . . 6398 1 325 . 1 1 51 51 LEU HB2 H 1 2.034 0.01 . 2 . . . . . . . . 6398 1 326 . 1 1 51 51 LEU HB3 H 1 1.568 0.01 . 2 . . . . . . . . 6398 1 327 . 1 1 51 51 LEU HG H 1 1.688 0.01 . 1 . . . . . . . . 6398 1 328 . 1 1 51 51 LEU N N 15 124.169 0.26 . 1 . . . . . . . . 6398 1 329 . 1 1 52 52 PRO HA H 1 4.344 0.01 . 1 . . . . . . . . 6398 1 330 . 1 1 52 52 PRO HB2 H 1 2.257 0.01 . 2 . . . . . . . . 6398 1 331 . 1 1 52 52 PRO HB3 H 1 1.991 0.01 . 2 . . . . . . . . 6398 1 332 . 1 1 53 53 ASP H H 1 7.691 0.01 . 1 . . . . . . . . 6398 1 333 . 1 1 53 53 ASP HA H 1 4.689 0.01 . 1 . . . . . . . . 6398 1 334 . 1 1 53 53 ASP HB2 H 1 3.211 0.01 . 2 . . . . . . . . 6398 1 335 . 1 1 53 53 ASP HB3 H 1 2.727 0.01 . 2 . . . . . . . . 6398 1 336 . 1 1 53 53 ASP N N 15 115.306 0.26 . 1 . . . . . . . . 6398 1 337 . 1 1 54 54 GLY H H 1 8.016 0.01 . 1 . . . . . . . . 6398 1 338 . 1 1 54 54 GLY HA2 H 1 4.632 0.01 . 2 . . . . . . . . 6398 1 339 . 1 1 54 54 GLY HA3 H 1 3.618 0.01 . 2 . . . . . . . . 6398 1 340 . 1 1 54 54 GLY N N 15 107.509 0.26 . 1 . . . . . . . . 6398 1 341 . 1 1 55 55 SER H H 1 8.182 0.01 . 1 . . . . . . . . 6398 1 342 . 1 1 55 55 SER HA H 1 4.870 0.01 . 1 . . . . . . . . 6398 1 343 . 1 1 55 55 SER N N 15 118.507 0.26 . 1 . . . . . . . . 6398 1 344 . 1 1 56 56 VAL H H 1 8.490 0.01 . 1 . . . . . . . . 6398 1 345 . 1 1 56 56 VAL HA H 1 4.967 0.01 . 1 . . . . . . . . 6398 1 346 . 1 1 56 56 VAL HB H 1 1.559 0.01 . 1 . . . . . . . . 6398 1 347 . 1 1 56 56 VAL N N 15 119.783 0.26 . 1 . . . . . . . . 6398 1 348 . 1 1 57 57 GLU H H 1 9.302 0.01 . 1 . . . . . . . . 6398 1 349 . 1 1 57 57 GLU HA H 1 5.109 0.01 . 1 . . . . . . . . 6398 1 350 . 1 1 57 57 GLU N N 15 127.025 0.26 . 1 . . . . . . . . 6398 1 351 . 1 1 58 58 VAL H H 1 9.300 0.01 . 1 . . . . . . . . 6398 1 352 . 1 1 58 58 VAL HA H 1 4.932 0.01 . 1 . . . . . . . . 6398 1 353 . 1 1 58 58 VAL HB H 1 1.920 0.01 . 1 . . . . . . . . 6398 1 354 . 1 1 58 58 VAL HG11 H 1 1.021 0.01 . 2 . . . . . . . . 6398 1 355 . 1 1 58 58 VAL HG12 H 1 1.021 0.01 . 2 . . . . . . . . 6398 1 356 . 1 1 58 58 VAL HG13 H 1 1.021 0.01 . 2 . . . . . . . . 6398 1 357 . 1 1 58 58 VAL HG21 H 1 0.905 0.01 . 2 . . . . . . . . 6398 1 358 . 1 1 58 58 VAL HG22 H 1 0.905 0.01 . 2 . . . . . . . . 6398 1 359 . 1 1 58 58 VAL HG23 H 1 0.905 0.01 . 2 . . . . . . . . 6398 1 360 . 1 1 58 58 VAL N N 15 126.316 0.26 . 1 . . . . . . . . 6398 1 361 . 1 1 59 59 VAL H H 1 8.083 0.01 . 1 . . . . . . . . 6398 1 362 . 1 1 59 59 VAL HA H 1 4.664 0.01 . 1 . . . . . . . . 6398 1 363 . 1 1 59 59 VAL HB H 1 1.555 0.01 . 1 . . . . . . . . 6398 1 364 . 1 1 59 59 VAL HG11 H 1 0.931 0.01 . 2 . . . . . . . . 6398 1 365 . 1 1 59 59 VAL HG12 H 1 0.931 0.01 . 2 . . . . . . . . 6398 1 366 . 1 1 59 59 VAL HG13 H 1 0.931 0.01 . 2 . . . . . . . . 6398 1 367 . 1 1 59 59 VAL HG21 H 1 0.899 0.01 . 2 . . . . . . . . 6398 1 368 . 1 1 59 59 VAL HG22 H 1 0.899 0.01 . 2 . . . . . . . . 6398 1 369 . 1 1 59 59 VAL HG23 H 1 0.899 0.01 . 2 . . . . . . . . 6398 1 370 . 1 1 59 59 VAL N N 15 125.889 0.26 . 1 . . . . . . . . 6398 1 371 . 1 1 60 60 ALA H H 1 9.110 0.01 . 1 . . . . . . . . 6398 1 372 . 1 1 60 60 ALA HA H 1 5.474 0.01 . 1 . . . . . . . . 6398 1 373 . 1 1 60 60 ALA HB1 H 1 1.199 0.01 . 1 . . . . . . . . 6398 1 374 . 1 1 60 60 ALA HB2 H 1 1.199 0.01 . 1 . . . . . . . . 6398 1 375 . 1 1 60 60 ALA HB3 H 1 1.199 0.01 . 1 . . . . . . . . 6398 1 376 . 1 1 60 60 ALA N N 15 127.239 0.26 . 1 . . . . . . . . 6398 1 377 . 1 1 61 61 GLU H H 1 9.861 0.01 . 1 . . . . . . . . 6398 1 378 . 1 1 61 61 GLU HA H 1 5.814 0.01 . 1 . . . . . . . . 6398 1 379 . 1 1 61 61 GLU HB2 H 1 2.442 0.01 . 2 . . . . . . . . 6398 1 380 . 1 1 61 61 GLU HB3 H 1 2.381 0.01 . 2 . . . . . . . . 6398 1 381 . 1 1 61 61 GLU HG2 H 1 2.731 0.01 . 2 . . . . . . . . 6398 1 382 . 1 1 61 61 GLU HG3 H 1 2.649 0.01 . 2 . . . . . . . . 6398 1 383 . 1 1 61 61 GLU N N 15 120.427 0.26 . 1 . . . . . . . . 6398 1 384 . 1 1 62 62 GLY H H 1 8.679 0.01 . 1 . . . . . . . . 6398 1 385 . 1 1 62 62 GLY HA2 H 1 4.418 0.01 . 2 . . . . . . . . 6398 1 386 . 1 1 62 62 GLY HA3 H 1 4.058 0.01 . 2 . . . . . . . . 6398 1 387 . 1 1 62 62 GLY N N 15 107.881 0.26 . 1 . . . . . . . . 6398 1 388 . 1 1 63 63 TYR H H 1 8.561 0.01 . 1 . . . . . . . . 6398 1 389 . 1 1 63 63 TYR HA H 1 4.857 0.01 . 1 . . . . . . . . 6398 1 390 . 1 1 63 63 TYR HB2 H 1 2.908 0.01 . 1 . . . . . . . . 6398 1 391 . 1 1 63 63 TYR HB3 H 1 3.523 0.01 . 1 . . . . . . . . 6398 1 392 . 1 1 63 63 TYR HD1 H 1 7.244 0.01 . 3 . . . . . . . . 6398 1 393 . 1 1 63 63 TYR HE1 H 1 6.923 0.01 . 3 . . . . . . . . 6398 1 394 . 1 1 63 63 TYR N N 15 119.836 0.26 . 1 . . . . . . . . 6398 1 395 . 1 1 64 64 GLU H H 1 9.060 0.01 . 1 . . . . . . . . 6398 1 396 . 1 1 64 64 GLU HA H 1 3.880 0.01 . 1 . . . . . . . . 6398 1 397 . 1 1 64 64 GLU N N 15 123.256 0.26 . 1 . . . . . . . . 6398 1 398 . 1 1 65 65 GLU H H 1 9.266 0.01 . 1 . . . . . . . . 6398 1 399 . 1 1 65 65 GLU HA H 1 4.193 0.01 . 1 . . . . . . . . 6398 1 400 . 1 1 65 65 GLU HB2 H 1 2.211 0.01 . 2 . . . . . . . . 6398 1 401 . 1 1 65 65 GLU HB3 H 1 2.085 0.01 . 2 . . . . . . . . 6398 1 402 . 1 1 65 65 GLU HG2 H 1 2.425 0.01 . 2 . . . . . . . . 6398 1 403 . 1 1 65 65 GLU HG3 H 1 2.334 0.01 . 2 . . . . . . . . 6398 1 404 . 1 1 65 65 GLU N N 15 118.123 0.26 . 1 . . . . . . . . 6398 1 405 . 1 1 66 66 ALA H H 1 7.054 0.01 . 1 . . . . . . . . 6398 1 406 . 1 1 66 66 ALA HA H 1 4.265 0.01 . 1 . . . . . . . . 6398 1 407 . 1 1 66 66 ALA HB1 H 1 1.783 0.01 . 1 . . . . . . . . 6398 1 408 . 1 1 66 66 ALA HB2 H 1 1.783 0.01 . 1 . . . . . . . . 6398 1 409 . 1 1 66 66 ALA HB3 H 1 1.783 0.01 . 1 . . . . . . . . 6398 1 410 . 1 1 66 66 ALA N N 15 122.105 0.26 . 1 . . . . . . . . 6398 1 411 . 1 1 67 67 LEU H H 1 8.533 0.01 . 1 . . . . . . . . 6398 1 412 . 1 1 67 67 LEU HA H 1 3.902 0.01 . 1 . . . . . . . . 6398 1 413 . 1 1 67 67 LEU HG H 1 1.793 0.01 . 1 . . . . . . . . 6398 1 414 . 1 1 67 67 LEU HD11 H 1 1.050 0.01 . 2 . . . . . . . . 6398 1 415 . 1 1 67 67 LEU HD12 H 1 1.050 0.01 . 2 . . . . . . . . 6398 1 416 . 1 1 67 67 LEU HD13 H 1 1.050 0.01 . 2 . . . . . . . . 6398 1 417 . 1 1 67 67 LEU HD21 H 1 0.829 0.01 . 2 . . . . . . . . 6398 1 418 . 1 1 67 67 LEU HD22 H 1 0.829 0.01 . 2 . . . . . . . . 6398 1 419 . 1 1 67 67 LEU HD23 H 1 0.829 0.01 . 2 . . . . . . . . 6398 1 420 . 1 1 67 67 LEU N N 15 118.041 0.26 . 1 . . . . . . . . 6398 1 421 . 1 1 68 68 SER H H 1 8.338 0.01 . 1 . . . . . . . . 6398 1 422 . 1 1 68 68 SER HA H 1 4.225 0.01 . 1 . . . . . . . . 6398 1 423 . 1 1 68 68 SER HB2 H 1 4.119 0.01 . 2 . . . . . . . . 6398 1 424 . 1 1 68 68 SER HB3 H 1 4.085 0.01 . 2 . . . . . . . . 6398 1 425 . 1 1 68 68 SER N N 15 113.989 0.26 . 1 . . . . . . . . 6398 1 426 . 1 1 69 69 LYS H H 1 7.659 0.01 . 1 . . . . . . . . 6398 1 427 . 1 1 69 69 LYS HA H 1 4.168 0.01 . 1 . . . . . . . . 6398 1 428 . 1 1 69 69 LYS HB2 H 1 2.184 0.01 . 2 . . . . . . . . 6398 1 429 . 1 1 69 69 LYS HB3 H 1 1.907 0.01 . 2 . . . . . . . . 6398 1 430 . 1 1 69 69 LYS N N 15 122.189 0.26 . 1 . . . . . . . . 6398 1 431 . 1 1 70 70 LEU H H 1 8.417 0.01 . 1 . . . . . . . . 6398 1 432 . 1 1 70 70 LEU HA H 1 3.784 0.01 . 1 . . . . . . . . 6398 1 433 . 1 1 70 70 LEU HB2 H 1 1.979 0.01 . 2 . . . . . . . . 6398 1 434 . 1 1 70 70 LEU HB3 H 1 1.499 0.01 . 2 . . . . . . . . 6398 1 435 . 1 1 70 70 LEU HG H 1 1.339 0.01 . 1 . . . . . . . . 6398 1 436 . 1 1 70 70 LEU HD11 H 1 0.721 0.01 . 2 . . . . . . . . 6398 1 437 . 1 1 70 70 LEU HD12 H 1 0.721 0.01 . 2 . . . . . . . . 6398 1 438 . 1 1 70 70 LEU HD13 H 1 0.721 0.01 . 2 . . . . . . . . 6398 1 439 . 1 1 70 70 LEU HD21 H 1 0.665 0.01 . 2 . . . . . . . . 6398 1 440 . 1 1 70 70 LEU HD22 H 1 0.665 0.01 . 2 . . . . . . . . 6398 1 441 . 1 1 70 70 LEU HD23 H 1 0.665 0.01 . 2 . . . . . . . . 6398 1 442 . 1 1 70 70 LEU N N 15 121.428 0.26 . 1 . . . . . . . . 6398 1 443 . 1 1 71 71 LEU H H 1 8.665 0.01 . 1 . . . . . . . . 6398 1 444 . 1 1 71 71 LEU HA H 1 3.891 0.01 . 1 . . . . . . . . 6398 1 445 . 1 1 71 71 LEU HB2 H 1 1.991 0.01 . 2 . . . . . . . . 6398 1 446 . 1 1 71 71 LEU HB3 H 1 1.528 0.01 . 2 . . . . . . . . 6398 1 447 . 1 1 71 71 LEU HG H 1 1.288 0.01 . 1 . . . . . . . . 6398 1 448 . 1 1 71 71 LEU HD11 H 1 0.529 0.01 . 2 . . . . . . . . 6398 1 449 . 1 1 71 71 LEU HD12 H 1 0.529 0.01 . 2 . . . . . . . . 6398 1 450 . 1 1 71 71 LEU HD13 H 1 0.529 0.01 . 2 . . . . . . . . 6398 1 451 . 1 1 71 71 LEU HD21 H 1 0.304 0.01 . 2 . . . . . . . . 6398 1 452 . 1 1 71 71 LEU HD22 H 1 0.304 0.01 . 2 . . . . . . . . 6398 1 453 . 1 1 71 71 LEU HD23 H 1 0.304 0.01 . 2 . . . . . . . . 6398 1 454 . 1 1 71 71 LEU N N 15 120.355 0.26 . 1 . . . . . . . . 6398 1 455 . 1 1 72 72 GLU H H 1 7.488 0.01 . 1 . . . . . . . . 6398 1 456 . 1 1 72 72 GLU HA H 1 3.967 0.01 . 1 . . . . . . . . 6398 1 457 . 1 1 72 72 GLU HB2 H 1 2.346 0.01 . 2 . . . . . . . . 6398 1 458 . 1 1 72 72 GLU HB3 H 1 2.210 0.01 . 2 . . . . . . . . 6398 1 459 . 1 1 72 72 GLU N N 15 116.089 0.26 . 1 . . . . . . . . 6398 1 460 . 1 1 73 73 ARG H H 1 7.412 0.01 . 1 . . . . . . . . 6398 1 461 . 1 1 73 73 ARG HA H 1 4.263 0.01 . 1 . . . . . . . . 6398 1 462 . 1 1 73 73 ARG HB2 H 1 1.962 0.01 . 2 . . . . . . . . 6398 1 463 . 1 1 73 73 ARG HB3 H 1 1.401 0.01 . 2 . . . . . . . . 6398 1 464 . 1 1 73 73 ARG HD2 H 1 2.717 0.01 . 2 . . . . . . . . 6398 1 465 . 1 1 73 73 ARG HD3 H 1 2.499 0.01 . 2 . . . . . . . . 6398 1 466 . 1 1 73 73 ARG N N 15 116.043 0.26 . 1 . . . . . . . . 6398 1 467 . 1 1 74 74 ILE H H 1 8.637 0.01 . 1 . . . . . . . . 6398 1 468 . 1 1 74 74 ILE HA H 1 3.763 0.01 . 1 . . . . . . . . 6398 1 469 . 1 1 74 74 ILE HB H 1 2.194 0.01 . 1 . . . . . . . . 6398 1 470 . 1 1 74 74 ILE HG12 H 1 1.863 0.01 . 2 . . . . . . . . 6398 1 471 . 1 1 74 74 ILE HG13 H 1 1.187 0.01 . 2 . . . . . . . . 6398 1 472 . 1 1 74 74 ILE HG21 H 1 1.017 0.01 . 1 . . . . . . . . 6398 1 473 . 1 1 74 74 ILE HG22 H 1 1.017 0.01 . 1 . . . . . . . . 6398 1 474 . 1 1 74 74 ILE HG23 H 1 1.017 0.01 . 1 . . . . . . . . 6398 1 475 . 1 1 74 74 ILE HD11 H 1 0.721 0.01 . 1 . . . . . . . . 6398 1 476 . 1 1 74 74 ILE HD12 H 1 0.721 0.01 . 1 . . . . . . . . 6398 1 477 . 1 1 74 74 ILE HD13 H 1 0.721 0.01 . 1 . . . . . . . . 6398 1 478 . 1 1 74 74 ILE N N 15 120.613 0.26 . 1 . . . . . . . . 6398 1 479 . 1 1 75 75 LYS H H 1 7.707 0.01 . 1 . . . . . . . . 6398 1 480 . 1 1 75 75 LYS HA H 1 3.985 0.01 . 1 . . . . . . . . 6398 1 481 . 1 1 75 75 LYS HB2 H 1 1.973 0.01 . 2 . . . . . . . . 6398 1 482 . 1 1 75 75 LYS HB3 H 1 1.865 0.01 . 2 . . . . . . . . 6398 1 483 . 1 1 75 75 LYS HE2 H 1 3.079 0.01 . 2 . . . . . . . . 6398 1 484 . 1 1 75 75 LYS HE3 H 1 2.834 0.01 . 2 . . . . . . . . 6398 1 485 . 1 1 75 75 LYS N N 15 112.553 0.26 . 1 . . . . . . . . 6398 1 486 . 1 1 76 76 GLN H H 1 7.237 0.01 . 1 . . . . . . . . 6398 1 487 . 1 1 76 76 GLN HA H 1 4.359 0.01 . 1 . . . . . . . . 6398 1 488 . 1 1 76 76 GLN N N 15 115.951 0.26 . 1 . . . . . . . . 6398 1 489 . 1 1 76 76 GLN HE21 H 1 7.515 0.01 . 2 . . . . . . . . 6398 1 490 . 1 1 76 76 GLN HE22 H 1 6.835 0.01 . 2 . . . . . . . . 6398 1 491 . 1 1 76 76 GLN NE2 N 15 111.696 0.26 . 1 . . . . . . . . 6398 1 492 . 1 1 77 77 GLY H H 1 8.196 0.01 . 1 . . . . . . . . 6398 1 493 . 1 1 77 77 GLY HA2 H 1 3.667 0.01 . 2 . . . . . . . . 6398 1 494 . 1 1 77 77 GLY HA3 H 1 2.823 0.01 . 2 . . . . . . . . 6398 1 495 . 1 1 77 77 GLY N N 15 102.541 0.26 . 1 . . . . . . . . 6398 1 496 . 1 1 78 78 PRO HA H 1 4.167 0.01 . 1 . . . . . . . . 6398 1 497 . 1 1 79 79 PRO HA H 1 4.311 0.01 . 1 . . . . . . . . 6398 1 498 . 1 1 79 79 PRO HB2 H 1 2.455 0.01 . 2 . . . . . . . . 6398 1 499 . 1 1 79 79 PRO HB3 H 1 2.115 0.01 . 2 . . . . . . . . 6398 1 500 . 1 1 79 79 PRO HD2 H 1 3.777 0.01 . 2 . . . . . . . . 6398 1 501 . 1 1 79 79 PRO HD3 H 1 3.729 0.01 . 2 . . . . . . . . 6398 1 502 . 1 1 80 80 ALA H H 1 8.059 0.01 . 1 . . . . . . . . 6398 1 503 . 1 1 80 80 ALA HA H 1 4.400 0.01 . 1 . . . . . . . . 6398 1 504 . 1 1 80 80 ALA HB1 H 1 1.539 0.01 . 1 . . . . . . . . 6398 1 505 . 1 1 80 80 ALA HB2 H 1 1.539 0.01 . 1 . . . . . . . . 6398 1 506 . 1 1 80 80 ALA HB3 H 1 1.539 0.01 . 1 . . . . . . . . 6398 1 507 . 1 1 80 80 ALA N N 15 115.584 0.26 . 1 . . . . . . . . 6398 1 508 . 1 1 81 81 ALA H H 1 7.677 0.01 . 1 . . . . . . . . 6398 1 509 . 1 1 81 81 ALA HA H 1 4.627 0.01 . 1 . . . . . . . . 6398 1 510 . 1 1 81 81 ALA HB1 H 1 1.507 0.01 . 1 . . . . . . . . 6398 1 511 . 1 1 81 81 ALA HB2 H 1 1.507 0.01 . 1 . . . . . . . . 6398 1 512 . 1 1 81 81 ALA HB3 H 1 1.507 0.01 . 1 . . . . . . . . 6398 1 513 . 1 1 81 81 ALA N N 15 117.902 0.26 . 1 . . . . . . . . 6398 1 514 . 1 1 82 82 GLU H H 1 8.406 0.01 . 1 . . . . . . . . 6398 1 515 . 1 1 82 82 GLU HA H 1 4.703 0.01 . 1 . . . . . . . . 6398 1 516 . 1 1 82 82 GLU HB2 H 1 2.123 0.01 . 2 . . . . . . . . 6398 1 517 . 1 1 82 82 GLU HB3 H 1 2.065 0.01 . 2 . . . . . . . . 6398 1 518 . 1 1 82 82 GLU HG2 H 1 2.324 0.01 . 2 . . . . . . . . 6398 1 519 . 1 1 82 82 GLU HG3 H 1 2.208 0.01 . 2 . . . . . . . . 6398 1 520 . 1 1 82 82 GLU N N 15 118.961 0.26 . 1 . . . . . . . . 6398 1 521 . 1 1 83 83 VAL H H 1 8.985 0.01 . 1 . . . . . . . . 6398 1 522 . 1 1 83 83 VAL HA H 1 3.702 0.01 . 1 . . . . . . . . 6398 1 523 . 1 1 83 83 VAL HB H 1 2.110 0.01 . 1 . . . . . . . . 6398 1 524 . 1 1 83 83 VAL N N 15 127.353 0.26 . 1 . . . . . . . . 6398 1 525 . 1 1 84 84 GLU H H 1 9.581 0.01 . 1 . . . . . . . . 6398 1 526 . 1 1 84 84 GLU HA H 1 4.497 0.01 . 1 . . . . . . . . 6398 1 527 . 1 1 84 84 GLU HG2 H 1 2.413 0.01 . 2 . . . . . . . . 6398 1 528 . 1 1 84 84 GLU HG3 H 1 2.259 0.01 . 2 . . . . . . . . 6398 1 529 . 1 1 84 84 GLU N N 15 129.587 0.26 . 1 . . . . . . . . 6398 1 530 . 1 1 85 85 LYS H H 1 7.728 0.01 . 1 . . . . . . . . 6398 1 531 . 1 1 85 85 LYS HA H 1 4.699 0.01 . 1 . . . . . . . . 6398 1 532 . 1 1 85 85 LYS HB2 H 1 1.938 0.01 . 2 . . . . . . . . 6398 1 533 . 1 1 85 85 LYS HB3 H 1 1.555 0.01 . 2 . . . . . . . . 6398 1 534 . 1 1 85 85 LYS HG2 H 1 1.411 0.01 . 2 . . . . . . . . 6398 1 535 . 1 1 85 85 LYS HG3 H 1 1.329 0.01 . 2 . . . . . . . . 6398 1 536 . 1 1 85 85 LYS N N 15 116.315 0.26 . 1 . . . . . . . . 6398 1 537 . 1 1 86 86 VAL H H 1 8.560 0.01 . 1 . . . . . . . . 6398 1 538 . 1 1 86 86 VAL HA H 1 5.151 0.01 . 1 . . . . . . . . 6398 1 539 . 1 1 86 86 VAL HB H 1 2.156 0.01 . 1 . . . . . . . . 6398 1 540 . 1 1 86 86 VAL HG11 H 1 1.055 0.01 . 1 . . . . . . . . 6398 1 541 . 1 1 86 86 VAL HG12 H 1 1.055 0.01 . 1 . . . . . . . . 6398 1 542 . 1 1 86 86 VAL HG13 H 1 1.055 0.01 . 1 . . . . . . . . 6398 1 543 . 1 1 86 86 VAL HG21 H 1 0.946 0.01 . 1 . . . . . . . . 6398 1 544 . 1 1 86 86 VAL HG22 H 1 0.946 0.01 . 1 . . . . . . . . 6398 1 545 . 1 1 86 86 VAL HG23 H 1 0.946 0.01 . 1 . . . . . . . . 6398 1 546 . 1 1 86 86 VAL N N 15 122.273 0.26 . 1 . . . . . . . . 6398 1 547 . 1 1 87 87 ASP H H 1 9.287 0.01 . 1 . . . . . . . . 6398 1 548 . 1 1 87 87 ASP HA H 1 5.300 0.01 . 1 . . . . . . . . 6398 1 549 . 1 1 87 87 ASP HB2 H 1 2.997 0.01 . 1 . . . . . . . . 6398 1 550 . 1 1 87 87 ASP HB3 H 1 2.813 0.01 . 1 . . . . . . . . 6398 1 551 . 1 1 87 87 ASP N N 15 128.937 0.26 . 1 . . . . . . . . 6398 1 552 . 1 1 88 88 TYR H H 1 8.320 0.01 . 1 . . . . . . . . 6398 1 553 . 1 1 88 88 TYR HA H 1 6.168 0.01 . 1 . . . . . . . . 6398 1 554 . 1 1 88 88 TYR HB2 H 1 2.936 0.01 . 2 . . . . . . . . 6398 1 555 . 1 1 88 88 TYR HB3 H 1 2.847 0.01 . 2 . . . . . . . . 6398 1 556 . 1 1 88 88 TYR HD1 H 1 6.801 0.01 . 3 . . . . . . . . 6398 1 557 . 1 1 88 88 TYR HE1 H 1 7.005 0.01 . 3 . . . . . . . . 6398 1 558 . 1 1 88 88 TYR N N 15 119.523 0.26 . 1 . . . . . . . . 6398 1 559 . 1 1 89 89 SER H H 1 9.241 0.01 . 1 . . . . . . . . 6398 1 560 . 1 1 89 89 SER HA H 1 4.652 0.01 . 1 . . . . . . . . 6398 1 561 . 1 1 89 89 SER N N 15 112.905 0.26 . 1 . . . . . . . . 6398 1 562 . 1 1 90 90 PHE H H 1 8.988 0.01 . 1 . . . . . . . . 6398 1 563 . 1 1 90 90 PHE HA H 1 6.058 0.01 . 1 . . . . . . . . 6398 1 564 . 1 1 90 90 PHE HB2 H 1 3.263 0.01 . 1 . . . . . . . . 6398 1 565 . 1 1 90 90 PHE HB3 H 1 3.182 0.01 . 1 . . . . . . . . 6398 1 566 . 1 1 90 90 PHE HZ H 1 7.330 0.01 . 1 . . . . . . . . 6398 1 567 . 1 1 90 90 PHE HD1 H 1 7.495 0.01 . 3 . . . . . . . . 6398 1 568 . 1 1 90 90 PHE HE1 H 1 7.246 0.01 . 3 . . . . . . . . 6398 1 569 . 1 1 90 90 PHE N N 15 119.867 0.26 . 1 . . . . . . . . 6398 1 570 . 1 1 91 91 SER H H 1 9.839 0.01 . 1 . . . . . . . . 6398 1 571 . 1 1 91 91 SER HA H 1 4.920 0.01 . 1 . . . . . . . . 6398 1 572 . 1 1 91 91 SER HB2 H 1 4.228 0.01 . 1 . . . . . . . . 6398 1 573 . 1 1 91 91 SER HB3 H 1 3.994 0.01 . 1 . . . . . . . . 6398 1 574 . 1 1 91 91 SER N N 15 117.000 0.26 . 1 . . . . . . . . 6398 1 575 . 1 1 92 92 GLU H H 1 8.513 0.01 . 1 . . . . . . . . 6398 1 576 . 1 1 92 92 GLU HA H 1 4.512 0.01 . 1 . . . . . . . . 6398 1 577 . 1 1 92 92 GLU HG2 H 1 2.539 0.01 . 2 . . . . . . . . 6398 1 578 . 1 1 92 92 GLU HG3 H 1 2.473 0.01 . 2 . . . . . . . . 6398 1 579 . 1 1 93 93 TYR H H 1 8.753 0.01 . 1 . . . . . . . . 6398 1 580 . 1 1 93 93 TYR HA H 1 4.123 0.01 . 1 . . . . . . . . 6398 1 581 . 1 1 93 93 TYR HB2 H 1 2.834 0.01 . 2 . . . . . . . . 6398 1 582 . 1 1 93 93 TYR HB3 H 1 2.604 0.01 . 2 . . . . . . . . 6398 1 583 . 1 1 93 93 TYR HD1 H 1 6.990 0.01 . 3 . . . . . . . . 6398 1 584 . 1 1 93 93 TYR HE1 H 1 6.790 0.01 . 3 . . . . . . . . 6398 1 585 . 1 1 93 93 TYR N N 15 123.396 0.26 . 1 . . . . . . . . 6398 1 586 . 1 1 94 94 LYS H H 1 8.961 0.01 . 1 . . . . . . . . 6398 1 587 . 1 1 94 94 LYS HA H 1 4.483 0.01 . 1 . . . . . . . . 6398 1 588 . 1 1 94 94 LYS HB2 H 1 1.784 0.01 . 2 . . . . . . . . 6398 1 589 . 1 1 94 94 LYS HB3 H 1 1.635 0.01 . 2 . . . . . . . . 6398 1 590 . 1 1 94 94 LYS N N 15 126.537 0.26 . 1 . . . . . . . . 6398 1 591 . 1 1 95 95 GLY H H 1 7.364 0.01 . 1 . . . . . . . . 6398 1 592 . 1 1 95 95 GLY HA2 H 1 3.661 0.01 . 2 . . . . . . . . 6398 1 593 . 1 1 95 95 GLY HA3 H 1 3.514 0.01 . 2 . . . . . . . . 6398 1 594 . 1 1 95 95 GLY N N 15 112.161 0.26 . 1 . . . . . . . . 6398 1 595 . 1 1 96 96 GLU H H 1 7.531 0.01 . 1 . . . . . . . . 6398 1 596 . 1 1 96 96 GLU HA H 1 3.932 0.01 . 1 . . . . . . . . 6398 1 597 . 1 1 96 96 GLU HB2 H 1 1.327 0.01 . 2 . . . . . . . . 6398 1 598 . 1 1 96 96 GLU HB3 H 1 0.932 0.01 . 2 . . . . . . . . 6398 1 599 . 1 1 96 96 GLU HG2 H 1 1.627 0.01 . 2 . . . . . . . . 6398 1 600 . 1 1 96 96 GLU HG3 H 1 1.395 0.01 . 2 . . . . . . . . 6398 1 601 . 1 1 96 96 GLU N N 15 118.048 0.26 . 1 . . . . . . . . 6398 1 602 . 1 1 97 97 PHE H H 1 7.981 0.01 . 1 . . . . . . . . 6398 1 603 . 1 1 97 97 PHE HA H 1 5.062 0.01 . 1 . . . . . . . . 6398 1 604 . 1 1 97 97 PHE HB2 H 1 3.661 0.01 . 1 . . . . . . . . 6398 1 605 . 1 1 97 97 PHE HB3 H 1 3.086 0.01 . 1 . . . . . . . . 6398 1 606 . 1 1 97 97 PHE HZ H 1 6.885 0.01 . 1 . . . . . . . . 6398 1 607 . 1 1 97 97 PHE HD1 H 1 7.373 0.01 . 3 . . . . . . . . 6398 1 608 . 1 1 97 97 PHE HE1 H 1 7.305 0.01 . 3 . . . . . . . . 6398 1 609 . 1 1 97 97 PHE N N 15 117.114 0.26 . 1 . . . . . . . . 6398 1 610 . 1 1 98 98 GLU H H 1 9.233 0.01 . 1 . . . . . . . . 6398 1 611 . 1 1 98 98 GLU HA H 1 4.707 0.01 . 1 . . . . . . . . 6398 1 612 . 1 1 98 98 GLU HG2 H 1 2.387 0.01 . 2 . . . . . . . . 6398 1 613 . 1 1 98 98 GLU HG3 H 1 2.300 0.01 . 2 . . . . . . . . 6398 1 614 . 1 1 98 98 GLU N N 15 118.989 0.26 . 1 . . . . . . . . 6398 1 615 . 1 1 99 99 ASP H H 1 8.299 0.01 . 1 . . . . . . . . 6398 1 616 . 1 1 99 99 ASP HA H 1 4.898 0.01 . 1 . . . . . . . . 6398 1 617 . 1 1 99 99 ASP N N 15 120.486 0.26 . 1 . . . . . . . . 6398 1 618 . 1 1 100 100 PHE H H 1 9.220 0.01 . 1 . . . . . . . . 6398 1 619 . 1 1 100 100 PHE HA H 1 5.409 0.01 . 1 . . . . . . . . 6398 1 620 . 1 1 100 100 PHE HB2 H 1 3.298 0.01 . 2 . . . . . . . . 6398 1 621 . 1 1 100 100 PHE HB3 H 1 2.991 0.01 . 2 . . . . . . . . 6398 1 622 . 1 1 100 100 PHE HZ H 1 6.847 0.01 . 1 . . . . . . . . 6398 1 623 . 1 1 100 100 PHE HD1 H 1 6.724 0.01 . 3 . . . . . . . . 6398 1 624 . 1 1 100 100 PHE HE1 H 1 6.888 0.01 . 3 . . . . . . . . 6398 1 625 . 1 1 100 100 PHE N N 15 121.750 0.26 . 1 . . . . . . . . 6398 1 626 . 1 1 101 101 GLU H H 1 7.956 0.01 . 1 . . . . . . . . 6398 1 627 . 1 1 101 101 GLU HA H 1 4.795 0.01 . 1 . . . . . . . . 6398 1 628 . 1 1 101 101 GLU HB2 H 1 1.876 0.01 . 1 . . . . . . . . 6398 1 629 . 1 1 101 101 GLU HB3 H 1 1.685 0.01 . 1 . . . . . . . . 6398 1 630 . 1 1 101 101 GLU HG2 H 1 2.471 0.01 . 2 . . . . . . . . 6398 1 631 . 1 1 101 101 GLU HG3 H 1 2.354 0.01 . 2 . . . . . . . . 6398 1 632 . 1 1 101 101 GLU N N 15 129.018 0.26 . 1 . . . . . . . . 6398 1 633 . 1 1 102 102 THR H H 1 8.121 0.01 . 1 . . . . . . . . 6398 1 634 . 1 1 102 102 THR HA H 1 5.363 0.01 . 1 . . . . . . . . 6398 1 635 . 1 1 102 102 THR HB H 1 4.232 0.01 . 1 . . . . . . . . 6398 1 636 . 1 1 102 102 THR HG21 H 1 1.163 0.01 . 1 . . . . . . . . 6398 1 637 . 1 1 102 102 THR HG22 H 1 1.163 0.01 . 1 . . . . . . . . 6398 1 638 . 1 1 102 102 THR HG23 H 1 1.163 0.01 . 1 . . . . . . . . 6398 1 639 . 1 1 102 102 THR N N 15 107.638 0.26 . 1 . . . . . . . . 6398 1 640 . 1 1 103 103 TYR H H 1 8.624 0.01 . 1 . . . . . . . . 6398 1 641 . 1 1 103 103 TYR HA H 1 4.831 0.01 . 1 . . . . . . . . 6398 1 642 . 1 1 103 103 TYR HB2 H 1 3.425 0.01 . 2 . . . . . . . . 6398 1 643 . 1 1 103 103 TYR HB3 H 1 2.493 0.01 . 2 . . . . . . . . 6398 1 644 . 1 1 103 103 TYR HD1 H 1 6.884 0.01 . 3 . . . . . . . . 6398 1 645 . 1 1 103 103 TYR HE1 H 1 6.543 0.01 . 3 . . . . . . . . 6398 1 646 . 1 1 103 103 TYR N N 15 125.341 0.26 . 1 . . . . . . . . 6398 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_coupling_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_coupling_list_1 _Coupling_constant_list.Entry_ID 6398 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 500 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 6398 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 4 4 LYS H H 1 . . 1 1 4 4 LYS HA H 1 . 8.16 . . 0.35 . . . . . . . . . . . 6398 1 2 3JHNHA . 1 1 6 6 TRP H H 1 . . 1 1 6 6 TRP HA H 1 . 7.08 . . 0.40 . . . . . . . . . . . 6398 1 3 3JHNHA . 1 1 7 7 SER H H 1 . . 1 1 7 7 SER HA H 1 . 7.46 . . 0.31 . . . . . . . . . . . 6398 1 4 3JHNHA . 1 1 12 12 PHE H H 1 . . 1 1 12 12 PHE HA H 1 . 6.90 . . 0.36 . . . . . . . . . . . 6398 1 5 3JHNHA . 1 1 13 13 GLU H H 1 . . 1 1 13 13 GLU HA H 1 . 8.12 . . 0.56 . . . . . . . . . . . 6398 1 6 3JHNHA . 1 1 16 16 LYS H H 1 . . 1 1 16 16 LYS HA H 1 . 9.14 . . 0.20 . . . . . . . . . . . 6398 1 7 3JHNHA . 1 1 18 18 MET H H 1 . . 1 1 18 18 MET HA H 1 . 12.94 . . 0.50 . . . . . . . . . . . 6398 1 8 3JHNHA . 1 1 22 22 VAL H H 1 . . 1 1 22 22 VAL HA H 1 . 9.25 . . 0.26 . . . . . . . . . . . 6398 1 9 3JHNHA . 1 1 23 23 TYR H H 1 . . 1 1 23 23 TYR HA H 1 . 9.94 . . 0.50 . . . . . . . . . . . 6398 1 10 3JHNHA . 1 1 25 25 LEU H H 1 . . 1 1 25 25 LEU HA H 1 . 9.06 . . 0.32 . . . . . . . . . . . 6398 1 11 3JHNHA . 1 1 27 27 GLN H H 1 . . 1 1 27 27 GLN HA H 1 . 12.49 . . 0.73 . . . . . . . . . . . 6398 1 12 3JHNHA . 1 1 29 29 VAL H H 1 . . 1 1 29 29 VAL HA H 1 . 11.41 . . 0.50 . . . . . . . . . . . 6398 1 13 3JHNHA . 1 1 33 33 LYS H H 1 . . 1 1 33 33 LYS HA H 1 . 4.86 . . 0.15 . . . . . . . . . . . 6398 1 14 3JHNHA . 1 1 34 34 PHE H H 1 . . 1 1 34 34 PHE HA H 1 . 5.69 . . 0.26 . . . . . . . . . . . 6398 1 15 3JHNHA . 1 1 35 35 VAL H H 1 . . 1 1 35 35 VAL HA H 1 . 5.84 . . 0.33 . . . . . . . . . . . 6398 1 16 3JHNHA . 1 1 37 37 ILE H H 1 . . 1 1 37 37 ILE HA H 1 . 4.75 . . 0.09 . . . . . . . . . . . 6398 1 17 3JHNHA . 1 1 38 38 HIS H H 1 . . 1 1 38 38 HIS HA H 1 . 6.34 . . 0.16 . . . . . . . . . . . 6398 1 18 3JHNHA . 1 1 39 39 ALA H H 1 . . 1 1 39 39 ALA HA H 1 . 4.90 . . 0.30 . . . . . . . . . . . 6398 1 19 3JHNHA . 1 1 40 40 ILE H H 1 . . 1 1 40 40 ILE HA H 1 . 4.99 . . 0.16 . . . . . . . . . . . 6398 1 20 3JHNHA . 1 1 41 41 ARG H H 1 . . 1 1 41 41 ARG HA H 1 . 4.65 . . 0.13 . . . . . . . . . . . 6398 1 21 3JHNHA . 1 1 42 42 LEU H H 1 . . 1 1 42 42 LEU HA H 1 . 7.56 . . 0.20 . . . . . . . . . . . 6398 1 22 3JHNHA . 1 1 44 44 ILE H H 1 . . 1 1 44 44 ILE HA H 1 . 8.05 . . 0.29 . . . . . . . . . . . 6398 1 23 3JHNHA . 1 1 45 45 LYS H H 1 . . 1 1 45 45 LYS HA H 1 . 9.03 . . 0.62 . . . . . . . . . . . 6398 1 24 3JHNHA . 1 1 47 47 TYR H H 1 . . 1 1 47 47 TYR HA H 1 . 5.43 . . 0.22 . . . . . . . . . . . 6398 1 25 3JHNHA . 1 1 49 49 LYS H H 1 . . 1 1 49 49 LYS HA H 1 . 11.44 . . 0.50 . . . . . . . . . . . 6398 1 26 3JHNHA . 1 1 50 50 ASN H H 1 . . 1 1 50 50 ASN HA H 1 . 8.51 . . 0.25 . . . . . . . . . . . 6398 1 27 3JHNHA . 1 1 51 51 LEU H H 1 . . 1 1 51 51 LEU HA H 1 . 9.20 . . 0.29 . . . . . . . . . . . 6398 1 28 3JHNHA . 1 1 55 55 SER H H 1 . . 1 1 55 55 SER HA H 1 . 8.29 . . 0.15 . . . . . . . . . . . 6398 1 29 3JHNHA . 1 1 56 56 VAL H H 1 . . 1 1 56 56 VAL HA H 1 . 9.38 . . 0.34 . . . . . . . . . . . 6398 1 30 3JHNHA . 1 1 57 57 GLU H H 1 . . 1 1 57 57 GLU HA H 1 . 11.44 . . 0.50 . . . . . . . . . . . 6398 1 31 3JHNHA . 1 1 58 58 VAL H H 1 . . 1 1 58 58 VAL HA H 1 . 9.16 . . 0.39 . . . . . . . . . . . 6398 1 32 3JHNHA . 1 1 63 63 TYR H H 1 . . 1 1 63 63 TYR HA H 1 . 6.06 . . 0.28 . . . . . . . . . . . 6398 1 33 3JHNHA . 1 1 64 64 GLU H H 1 . . 1 1 64 64 GLU HA H 1 . 3.47 . . 1.00 . . . . . . . . . . . 6398 1 34 3JHNHA . 1 1 65 65 GLU H H 1 . . 1 1 65 65 GLU HA H 1 . 4.52 . . 0.13 . . . . . . . . . . . 6398 1 35 3JHNHA . 1 1 66 66 ALA H H 1 . . 1 1 66 66 ALA HA H 1 . 8.32 . . 0.44 . . . . . . . . . . . 6398 1 36 3JHNHA . 1 1 67 67 LEU H H 1 . . 1 1 67 67 LEU HA H 1 . 5.69 . . 0.38 . . . . . . . . . . . 6398 1 37 3JHNHA . 1 1 68 68 SER H H 1 . . 1 1 68 68 SER HA H 1 . 5.26 . . 0.17 . . . . . . . . . . . 6398 1 38 3JHNHA . 1 1 69 69 LYS H H 1 . . 1 1 69 69 LYS HA H 1 . 6.71 . . 0.17 . . . . . . . . . . . 6398 1 39 3JHNHA . 1 1 70 70 LEU H H 1 . . 1 1 70 70 LEU HA H 1 . 4.98 . . 0.22 . . . . . . . . . . . 6398 1 40 3JHNHA . 1 1 71 71 LEU H H 1 . . 1 1 71 71 LEU HA H 1 . 4.12 . . 0.32 . . . . . . . . . . . 6398 1 41 3JHNHA . 1 1 72 72 GLU H H 1 . . 1 1 72 72 GLU HA H 1 . 4.83 . . 0.16 . . . . . . . . . . . 6398 1 42 3JHNHA . 1 1 73 73 ARG H H 1 . . 1 1 73 73 ARG HA H 1 . 6.86 . . 0.17 . . . . . . . . . . . 6398 1 43 3JHNHA . 1 1 74 74 ILE H H 1 . . 1 1 74 74 ILE HA H 1 . 5.41 . . 0.17 . . . . . . . . . . . 6398 1 44 3JHNHA . 1 1 75 75 LYS H H 1 . . 1 1 75 75 LYS HA H 1 . 4.90 . . 0.15 . . . . . . . . . . . 6398 1 45 3JHNHA . 1 1 76 76 GLN H H 1 . . 1 1 76 76 GLN HA H 1 . 8.49 . . 0.37 . . . . . . . . . . . 6398 1 46 3JHNHA . 1 1 80 80 ALA H H 1 . . 1 1 80 80 ALA HA H 1 . 6.80 . . 0.18 . . . . . . . . . . . 6398 1 47 3JHNHA . 1 1 81 81 ALA H H 1 . . 1 1 81 81 ALA HA H 1 . 7.81 . . 0.52 . . . . . . . . . . . 6398 1 48 3JHNHA . 1 1 83 83 VAL H H 1 . . 1 1 83 83 VAL HA H 1 . 7.45 . . 0.19 . . . . . . . . . . . 6398 1 49 3JHNHA . 1 1 84 84 GLU H H 1 . . 1 1 84 84 GLU HA H 1 . 4.78 . . 0.21 . . . . . . . . . . . 6398 1 50 3JHNHA . 1 1 91 91 SER H H 1 . . 1 1 91 91 SER HA H 1 . 7.23 . . 0.08 . . . . . . . . . . . 6398 1 51 3JHNHA . 1 1 92 92 GLU H H 1 . . 1 1 92 92 GLU HA H 1 . 4.87 . . 0.17 . . . . . . . . . . . 6398 1 52 3JHNHA . 1 1 93 93 TYR H H 1 . . 1 1 93 93 TYR HA H 1 . 6.20 . . 0.53 . . . . . . . . . . . 6398 1 53 3JHNHA . 1 1 94 94 LYS H H 1 . . 1 1 94 94 LYS HA H 1 . 11.23 . . 0.39 . . . . . . . . . . . 6398 1 54 3JHNHA . 1 1 96 96 GLU H H 1 . . 1 1 96 96 GLU HA H 1 . 10.44 . . 0.33 . . . . . . . . . . . 6398 1 55 3JHNHA . 1 1 97 97 PHE H H 1 . . 1 1 97 97 PHE HA H 1 . 9.15 . . 0.35 . . . . . . . . . . . 6398 1 56 3JHNHA . 1 1 99 99 ASP H H 1 . . 1 1 99 99 ASP HA H 1 . 6.77 . . 0.16 . . . . . . . . . . . 6398 1 57 3JHNHA . 1 1 100 100 PHE H H 1 . . 1 1 100 100 PHE HA H 1 . 12.24 . . 0.50 . . . . . . . . . . . 6398 1 58 3JHNHA . 1 1 101 101 GLU H H 1 . . 1 1 101 101 GLU HA H 1 . 10.00 . . 0.50 . . . . . . . . . . . 6398 1 59 3JHNHA . 1 1 102 102 THR H H 1 . . 1 1 102 102 THR HA H 1 . 10.94 . . 0.02 . . . . . . . . . . . 6398 1 60 3JHNHA . 1 1 103 103 TYR H H 1 . . 1 1 103 103 TYR HA H 1 . 9.28 . . 0.50 . . . . . . . . . . . 6398 1 stop_ save_