data_3441 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 3441 _Entry.Title ; 1H-NMR analysis of turkey egg-white lysozyme and comparison with hen egg-white lysozyme ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _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 Kristin Bartik . . . 3441 2 Christopher Dobson . M. . 3441 3 Christina Redfield . . . 3441 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 3441 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 657 3441 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 4 . . 2010-06-17 . revision BMRB 'Complete natural source information' 3441 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 3441 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 3441 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 3441 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 3441 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Bartik, Kristin, Dobson, Christopher M., Redfield, Christina, "1H-NMR analysis of turkey egg-white lysozyme and comparison with hen egg-white lysozyme," Eur. J. Biochem. 215, 255-266 (1993). ; _Citation.Title ; 1H-NMR analysis of turkey egg-white lysozyme and comparison with hen egg-white lysozyme ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 215 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 255 _Citation.Page_last 266 _Citation.Year 1993 _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 Kristin Bartik . . . 3441 1 2 Christopher Dobson . M. . 3441 1 3 Christina Redfield . . . 3441 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_lysozyme _Assembly.Sf_category assembly _Assembly.Sf_framecode system_lysozyme _Assembly.Entry_ID 3441 _Assembly.ID 1 _Assembly.Name lysozyme _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 . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 lysozyme 1 $lysozyme . . . . . . . . . 3441 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID lysozyme system 3441 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_lysozyme _Entity.Sf_category entity _Entity.Sf_framecode lysozyme _Entity.Entry_ID 3441 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name lysozyme _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 ; KVYGRCELAAAMKRLGLDNY RGYSLGNWVCAAKFESNFNT HATNRNTDGSTDYGILQINS RWWCNNGRTPGSKNLCNIPC SALLSSDITASVNCAKKIAS GGNGMNAWVAWRNRCKGTDV HAWIRGCRL ; _Entity.Polymer_seq_one_letter_code ; KVYGRCELAAAMKRLGLDNY RGYSLGNWVCAAKFESNFNT HATNRNTDGSTDYGILQINS RWWCNNGRTPGSKNLCNIPC SALLSSDITASVNCAKKIAS GGNGMNAWVAWRNRCKGTDV HAWIRGCRL ; _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 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.2.1.17 _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 135L . "X-Ray Structure Of Monoclinic Turkey Egg Lysozyme At 1.3 Angstroms Resolution" . . . . . 100.00 129 99.22 100.00 8.92e-87 . . . . 3441 1 2 no PDB 1DZB . "Crystal Structure Of Phage Library-Derived Single-Chain Fv Fragment 1f9 In Complex With Turkey Egg-White Lysozyme" . . . . . 100.00 129 99.22 100.00 8.92e-87 . . . . 3441 1 3 no PDB 1JEF . "Turkey Lysozyme Complex With (glcnac)3" . . . . . 100.00 129 99.22 100.00 8.92e-87 . . . . 3441 1 4 no PDB 1JSE . "Full-Matrix Least-Squares Refinement Of Turkey Lysozyme" . . . . . 100.00 129 99.22 100.00 8.92e-87 . . . . 3441 1 5 no PDB 1JTP . "Degenerate Interfaces In Antigen-Antibody Complexes" . . . . . 100.00 129 99.22 100.00 8.92e-87 . . . . 3441 1 6 no PDB 1LJN . "Crystal Structure Of Tuekey Egg Lysozyme Complex With Di-N- Acetylchitobiose At 1.19a Resolution" . . . . . 100.00 129 99.22 100.00 8.92e-87 . . . . 3441 1 7 no PDB 1LZ2 . "Crystallographic Study Of Turkey Egg-White Lysozyme And Its Complex With A Disaccharide" . . . . . 100.00 129 96.90 100.00 7.11e-85 . . . . 3441 1 8 no PDB 1LZY . "X-Ray Structure Of Turkey Egg Lysozyme Complex With Di-N- Acetylchitobiose. Recognition And Binding Of Alpha-Anomeric Form" . . . . . 100.00 129 99.22 100.00 8.92e-87 . . . . 3441 1 9 no PDB 1TEW . "Structure Of Hexagonal Turkey Egg White Lysozyme At 1.65 Angstroms Resolution" . . . . . 100.00 129 99.22 100.00 8.92e-87 . . . . 3441 1 10 no PDB 1UAC . "Crystal Structure Of Hyhel-10 Fv Mutant Sfsf Complexed With Turkey White Lysozyme" . . . . . 100.00 129 99.22 100.00 8.92e-87 . . . . 3441 1 11 no PDB 1XFT . "Synchrotron X-Ray Powder Diffraction Study Of Hexagonal Turkey Egg-White Lysozyme" . . . . . 100.00 129 99.22 100.00 8.92e-87 . . . . 3441 1 12 no PDB 2LZ2 . "The Three Dimensional Structure Of Turkey Egg White Lysozyme At 2.2 Angstroms Resolution" . . . . . 100.00 129 99.22 100.00 8.92e-87 . . . . 3441 1 13 no PDB 3LZ2 . "Structure Determination Of Turkey Egg White Lysozyme Using Laue Diffraction" . . . . . 100.00 129 99.22 100.00 8.92e-87 . . . . 3441 1 14 no REF XP_003202118 . "PREDICTED: lysozyme C [Meleagris gallopavo]" . . . . . 100.00 147 99.22 100.00 7.42e-87 . . . . 3441 1 15 no SP P00703 . "RecName: Full=Lysozyme C; AltName: Full=1,4-beta-N-acetylmuramidase C; Flags: Precursor" . . . . . 100.00 147 99.22 100.00 7.42e-87 . . . . 3441 1 16 no SP Q7LZP9 . "RecName: Full=Lysozyme C; AltName: Full=1,4-beta-N-acetylmuramidase C" . . . . . 100.00 129 96.90 98.45 7.93e-85 . . . . 3441 1 17 no SP Q7LZQ0 . "RecName: Full=Lysozyme C; AltName: Full=1,4-beta-N-acetylmuramidase C" . . . . . 100.00 129 96.90 98.45 7.93e-85 . . . . 3441 1 18 no SP Q7LZT2 . "RecName: Full=Lysozyme C; AltName: Full=1,4-beta-N-acetylmuramidase" . . . . . 100.00 129 96.90 99.22 4.45e-85 . . . . 3441 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID lysozyme common 3441 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 . LYS . 3441 1 2 . VAL . 3441 1 3 . TYR . 3441 1 4 . GLY . 3441 1 5 . ARG . 3441 1 6 . CYS . 3441 1 7 . GLU . 3441 1 8 . LEU . 3441 1 9 . ALA . 3441 1 10 . ALA . 3441 1 11 . ALA . 3441 1 12 . MET . 3441 1 13 . LYS . 3441 1 14 . ARG . 3441 1 15 . LEU . 3441 1 16 . GLY . 3441 1 17 . LEU . 3441 1 18 . ASP . 3441 1 19 . ASN . 3441 1 20 . TYR . 3441 1 21 . ARG . 3441 1 22 . GLY . 3441 1 23 . TYR . 3441 1 24 . SER . 3441 1 25 . LEU . 3441 1 26 . GLY . 3441 1 27 . ASN . 3441 1 28 . TRP . 3441 1 29 . VAL . 3441 1 30 . CYS . 3441 1 31 . ALA . 3441 1 32 . ALA . 3441 1 33 . LYS . 3441 1 34 . PHE . 3441 1 35 . GLU . 3441 1 36 . SER . 3441 1 37 . ASN . 3441 1 38 . PHE . 3441 1 39 . ASN . 3441 1 40 . THR . 3441 1 41 . HIS . 3441 1 42 . ALA . 3441 1 43 . THR . 3441 1 44 . ASN . 3441 1 45 . ARG . 3441 1 46 . ASN . 3441 1 47 . THR . 3441 1 48 . ASP . 3441 1 49 . GLY . 3441 1 50 . SER . 3441 1 51 . THR . 3441 1 52 . ASP . 3441 1 53 . TYR . 3441 1 54 . GLY . 3441 1 55 . ILE . 3441 1 56 . LEU . 3441 1 57 . GLN . 3441 1 58 . ILE . 3441 1 59 . ASN . 3441 1 60 . SER . 3441 1 61 . ARG . 3441 1 62 . TRP . 3441 1 63 . TRP . 3441 1 64 . CYS . 3441 1 65 . ASN . 3441 1 66 . ASN . 3441 1 67 . GLY . 3441 1 68 . ARG . 3441 1 69 . THR . 3441 1 70 . PRO . 3441 1 71 . GLY . 3441 1 72 . SER . 3441 1 73 . LYS . 3441 1 74 . ASN . 3441 1 75 . LEU . 3441 1 76 . CYS . 3441 1 77 . ASN . 3441 1 78 . ILE . 3441 1 79 . PRO . 3441 1 80 . CYS . 3441 1 81 . SER . 3441 1 82 . ALA . 3441 1 83 . LEU . 3441 1 84 . LEU . 3441 1 85 . SER . 3441 1 86 . SER . 3441 1 87 . ASP . 3441 1 88 . ILE . 3441 1 89 . THR . 3441 1 90 . ALA . 3441 1 91 . SER . 3441 1 92 . VAL . 3441 1 93 . ASN . 3441 1 94 . CYS . 3441 1 95 . ALA . 3441 1 96 . LYS . 3441 1 97 . LYS . 3441 1 98 . ILE . 3441 1 99 . ALA . 3441 1 100 . SER . 3441 1 101 . GLY . 3441 1 102 . GLY . 3441 1 103 . ASN . 3441 1 104 . GLY . 3441 1 105 . MET . 3441 1 106 . ASN . 3441 1 107 . ALA . 3441 1 108 . TRP . 3441 1 109 . VAL . 3441 1 110 . ALA . 3441 1 111 . TRP . 3441 1 112 . ARG . 3441 1 113 . ASN . 3441 1 114 . ARG . 3441 1 115 . CYS . 3441 1 116 . LYS . 3441 1 117 . GLY . 3441 1 118 . THR . 3441 1 119 . ASP . 3441 1 120 . VAL . 3441 1 121 . HIS . 3441 1 122 . ALA . 3441 1 123 . TRP . 3441 1 124 . ILE . 3441 1 125 . ARG . 3441 1 126 . GLY . 3441 1 127 . CYS . 3441 1 128 . ARG . 3441 1 129 . LEU . 3441 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 . LYS 1 1 3441 1 . VAL 2 2 3441 1 . TYR 3 3 3441 1 . GLY 4 4 3441 1 . ARG 5 5 3441 1 . CYS 6 6 3441 1 . GLU 7 7 3441 1 . LEU 8 8 3441 1 . ALA 9 9 3441 1 . ALA 10 10 3441 1 . ALA 11 11 3441 1 . MET 12 12 3441 1 . LYS 13 13 3441 1 . ARG 14 14 3441 1 . LEU 15 15 3441 1 . GLY 16 16 3441 1 . LEU 17 17 3441 1 . ASP 18 18 3441 1 . ASN 19 19 3441 1 . TYR 20 20 3441 1 . ARG 21 21 3441 1 . GLY 22 22 3441 1 . TYR 23 23 3441 1 . SER 24 24 3441 1 . LEU 25 25 3441 1 . GLY 26 26 3441 1 . ASN 27 27 3441 1 . TRP 28 28 3441 1 . VAL 29 29 3441 1 . CYS 30 30 3441 1 . ALA 31 31 3441 1 . ALA 32 32 3441 1 . LYS 33 33 3441 1 . PHE 34 34 3441 1 . GLU 35 35 3441 1 . SER 36 36 3441 1 . ASN 37 37 3441 1 . PHE 38 38 3441 1 . ASN 39 39 3441 1 . THR 40 40 3441 1 . HIS 41 41 3441 1 . ALA 42 42 3441 1 . THR 43 43 3441 1 . ASN 44 44 3441 1 . ARG 45 45 3441 1 . ASN 46 46 3441 1 . THR 47 47 3441 1 . ASP 48 48 3441 1 . GLY 49 49 3441 1 . SER 50 50 3441 1 . THR 51 51 3441 1 . ASP 52 52 3441 1 . TYR 53 53 3441 1 . GLY 54 54 3441 1 . ILE 55 55 3441 1 . LEU 56 56 3441 1 . GLN 57 57 3441 1 . ILE 58 58 3441 1 . ASN 59 59 3441 1 . SER 60 60 3441 1 . ARG 61 61 3441 1 . TRP 62 62 3441 1 . TRP 63 63 3441 1 . CYS 64 64 3441 1 . ASN 65 65 3441 1 . ASN 66 66 3441 1 . GLY 67 67 3441 1 . ARG 68 68 3441 1 . THR 69 69 3441 1 . PRO 70 70 3441 1 . GLY 71 71 3441 1 . SER 72 72 3441 1 . LYS 73 73 3441 1 . ASN 74 74 3441 1 . LEU 75 75 3441 1 . CYS 76 76 3441 1 . ASN 77 77 3441 1 . ILE 78 78 3441 1 . PRO 79 79 3441 1 . CYS 80 80 3441 1 . SER 81 81 3441 1 . ALA 82 82 3441 1 . LEU 83 83 3441 1 . LEU 84 84 3441 1 . SER 85 85 3441 1 . SER 86 86 3441 1 . ASP 87 87 3441 1 . ILE 88 88 3441 1 . THR 89 89 3441 1 . ALA 90 90 3441 1 . SER 91 91 3441 1 . VAL 92 92 3441 1 . ASN 93 93 3441 1 . CYS 94 94 3441 1 . ALA 95 95 3441 1 . LYS 96 96 3441 1 . LYS 97 97 3441 1 . ILE 98 98 3441 1 . ALA 99 99 3441 1 . SER 100 100 3441 1 . GLY 101 101 3441 1 . GLY 102 102 3441 1 . ASN 103 103 3441 1 . GLY 104 104 3441 1 . MET 105 105 3441 1 . ASN 106 106 3441 1 . ALA 107 107 3441 1 . TRP 108 108 3441 1 . VAL 109 109 3441 1 . ALA 110 110 3441 1 . TRP 111 111 3441 1 . ARG 112 112 3441 1 . ASN 113 113 3441 1 . ARG 114 114 3441 1 . CYS 115 115 3441 1 . LYS 116 116 3441 1 . GLY 117 117 3441 1 . THR 118 118 3441 1 . ASP 119 119 3441 1 . VAL 120 120 3441 1 . HIS 121 121 3441 1 . ALA 122 122 3441 1 . TRP 123 123 3441 1 . ILE 124 124 3441 1 . ARG 125 125 3441 1 . GLY 126 126 3441 1 . CYS 127 127 3441 1 . ARG 128 128 3441 1 . LEU 129 129 3441 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 3441 _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 $lysozyme . 9103 organism . 'Maleagris gallopavo' turkey . . Eukaryota Metazoa Maleagris gallopavo generic . . . egg . . . . . . . white . . . . . . . . 3441 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 3441 _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 $lysozyme . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3441 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 3441 _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 3441 _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 3.8 . pH 3441 1 temperature 308 . K 3441 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 3441 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 3441 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 3441 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 3441 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 3441 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 3441 _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 . DSS . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 3441 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_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 3441 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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_one . 3441 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 LYS HA H 1 3.9 0.02 . 1 . . . . . . . . 3441 1 2 . 1 1 1 1 LYS HB2 H 1 1.85 0.02 . 2 . . . . . . . . 3441 1 3 . 1 1 1 1 LYS HB3 H 1 1.64 0.02 . 2 . . . . . . . . 3441 1 4 . 1 1 2 2 VAL H H 1 8.93 0.02 . 1 . . . . . . . . 3441 1 5 . 1 1 2 2 VAL HA H 1 4.92 0.02 . 1 . . . . . . . . 3441 1 6 . 1 1 2 2 VAL HB H 1 1.98 0.02 . 1 . . . . . . . . 3441 1 7 . 1 1 2 2 VAL HG11 H 1 1.01 0.02 . 2 . . . . . . . . 3441 1 8 . 1 1 2 2 VAL HG12 H 1 1.01 0.02 . 2 . . . . . . . . 3441 1 9 . 1 1 2 2 VAL HG13 H 1 1.01 0.02 . 2 . . . . . . . . 3441 1 10 . 1 1 2 2 VAL HG21 H 1 .92 0.02 . 2 . . . . . . . . 3441 1 11 . 1 1 2 2 VAL HG22 H 1 .92 0.02 . 2 . . . . . . . . 3441 1 12 . 1 1 2 2 VAL HG23 H 1 .92 0.02 . 2 . . . . . . . . 3441 1 13 . 1 1 3 3 TYR H H 1 8.89 0.02 . 1 . . . . . . . . 3441 1 14 . 1 1 3 3 TYR HA H 1 4.05 0.02 . 1 . . . . . . . . 3441 1 15 . 1 1 3 3 TYR HB2 H 1 2.99 0.02 . 2 . . . . . . . . 3441 1 16 . 1 1 3 3 TYR HB3 H 1 2.63 0.02 . 2 . . . . . . . . 3441 1 17 . 1 1 3 3 TYR HD1 H 1 6.82 0.02 . 1 . . . . . . . . 3441 1 18 . 1 1 3 3 TYR HD2 H 1 6.82 0.02 . 1 . . . . . . . . 3441 1 19 . 1 1 3 3 TYR HE1 H 1 6.72 0.02 . 1 . . . . . . . . 3441 1 20 . 1 1 3 3 TYR HE2 H 1 6.72 0.02 . 1 . . . . . . . . 3441 1 21 . 1 1 4 4 GLY H H 1 8.56 0.02 . 1 . . . . . . . . 3441 1 22 . 1 1 4 4 GLY HA2 H 1 4.25 0.02 . 2 . . . . . . . . 3441 1 23 . 1 1 4 4 GLY HA3 H 1 3.91 0.02 . 2 . . . . . . . . 3441 1 24 . 1 1 5 5 ARG H H 1 8.51 0.02 . 1 . . . . . . . . 3441 1 25 . 1 1 5 5 ARG HA H 1 3.33 0.02 . 1 . . . . . . . . 3441 1 26 . 1 1 6 6 CYS H H 1 8.56 0.02 . 1 . . . . . . . . 3441 1 27 . 1 1 6 6 CYS HA H 1 4.71 0.02 . 1 . . . . . . . . 3441 1 28 . 1 1 6 6 CYS HB2 H 1 3.19 0.02 . 2 . . . . . . . . 3441 1 29 . 1 1 6 6 CYS HB3 H 1 2.76 0.02 . 2 . . . . . . . . 3441 1 30 . 1 1 7 7 GLU H H 1 8.08 0.02 . 1 . . . . . . . . 3441 1 31 . 1 1 7 7 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 3441 1 32 . 1 1 7 7 GLU HB2 H 1 2.45 0.02 . 2 . . . . . . . . 3441 1 33 . 1 1 7 7 GLU HB3 H 1 2.32 0.02 . 2 . . . . . . . . 3441 1 34 . 1 1 8 8 LEU H H 1 8.64 0.02 . 1 . . . . . . . . 3441 1 35 . 1 1 8 8 LEU HA H 1 3.8 0.02 . 1 . . . . . . . . 3441 1 36 . 1 1 8 8 LEU HB2 H 1 1.64 0.02 . 2 . . . . . . . . 3441 1 37 . 1 1 8 8 LEU HB3 H 1 1.05 0.02 . 2 . . . . . . . . 3441 1 38 . 1 1 8 8 LEU HG H 1 1.51 0.02 . 1 . . . . . . . . 3441 1 39 . 1 1 8 8 LEU HD11 H 1 .57 0.02 . 2 . . . . . . . . 3441 1 40 . 1 1 8 8 LEU HD12 H 1 .57 0.02 . 2 . . . . . . . . 3441 1 41 . 1 1 8 8 LEU HD13 H 1 .57 0.02 . 2 . . . . . . . . 3441 1 42 . 1 1 8 8 LEU HD21 H 1 .14 0.02 . 2 . . . . . . . . 3441 1 43 . 1 1 8 8 LEU HD22 H 1 .14 0.02 . 2 . . . . . . . . 3441 1 44 . 1 1 8 8 LEU HD23 H 1 .14 0.02 . 2 . . . . . . . . 3441 1 45 . 1 1 9 9 ALA H H 1 8.33 0.02 . 1 . . . . . . . . 3441 1 46 . 1 1 9 9 ALA HA H 1 3.57 0.02 . 1 . . . . . . . . 3441 1 47 . 1 1 9 9 ALA HB1 H 1 1.53 0.02 . 1 . . . . . . . . 3441 1 48 . 1 1 9 9 ALA HB2 H 1 1.53 0.02 . 1 . . . . . . . . 3441 1 49 . 1 1 9 9 ALA HB3 H 1 1.53 0.02 . 1 . . . . . . . . 3441 1 50 . 1 1 10 10 ALA H H 1 8.13 0.02 . 1 . . . . . . . . 3441 1 51 . 1 1 10 10 ALA HA H 1 3.93 0.02 . 1 . . . . . . . . 3441 1 52 . 1 1 10 10 ALA HB1 H 1 1.5 0.02 . 1 . . . . . . . . 3441 1 53 . 1 1 10 10 ALA HB2 H 1 1.5 0.02 . 1 . . . . . . . . 3441 1 54 . 1 1 10 10 ALA HB3 H 1 1.5 0.02 . 1 . . . . . . . . 3441 1 55 . 1 1 11 11 ALA H H 1 7.62 0.02 . 1 . . . . . . . . 3441 1 56 . 1 1 11 11 ALA HA H 1 4.09 0.02 . 1 . . . . . . . . 3441 1 57 . 1 1 11 11 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 3441 1 58 . 1 1 11 11 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 3441 1 59 . 1 1 11 11 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 3441 1 60 . 1 1 12 12 MET H H 1 8.64 0.02 . 1 . . . . . . . . 3441 1 61 . 1 1 12 12 MET HA H 1 3.46 0.02 . 1 . . . . . . . . 3441 1 62 . 1 1 13 13 LYS H H 1 8.47 0.02 . 1 . . . . . . . . 3441 1 63 . 1 1 13 13 LYS HA H 1 3.92 0.02 . 1 . . . . . . . . 3441 1 64 . 1 1 13 13 LYS HB2 H 1 2.11 0.02 . 1 . . . . . . . . 3441 1 65 . 1 1 13 13 LYS HB3 H 1 2.11 0.02 . 1 . . . . . . . . 3441 1 66 . 1 1 14 14 ARG H H 1 7.96 0.02 . 1 . . . . . . . . 3441 1 67 . 1 1 14 14 ARG HA H 1 4.08 0.02 . 1 . . . . . . . . 3441 1 68 . 1 1 14 14 ARG HB2 H 1 1.94 0.02 . 1 . . . . . . . . 3441 1 69 . 1 1 14 14 ARG HB3 H 1 1.94 0.02 . 1 . . . . . . . . 3441 1 70 . 1 1 15 15 LEU H H 1 7.09 0.02 . 1 . . . . . . . . 3441 1 71 . 1 1 15 15 LEU HA H 1 4.29 0.02 . 1 . . . . . . . . 3441 1 72 . 1 1 15 15 LEU HB2 H 1 1.39 0.02 . 2 . . . . . . . . 3441 1 73 . 1 1 15 15 LEU HB3 H 1 1.17 0.02 . 2 . . . . . . . . 3441 1 74 . 1 1 16 16 GLY H H 1 7.47 0.02 . 1 . . . . . . . . 3441 1 75 . 1 1 16 16 GLY HA2 H 1 4.03 0.02 . 2 . . . . . . . . 3441 1 76 . 1 1 16 16 GLY HA3 H 1 3.9 0.02 . 2 . . . . . . . . 3441 1 77 . 1 1 17 17 LEU H H 1 7.21 0.02 . 1 . . . . . . . . 3441 1 78 . 1 1 17 17 LEU HA H 1 3.84 0.02 . 1 . . . . . . . . 3441 1 79 . 1 1 17 17 LEU HB2 H 1 .72 0.02 . 2 . . . . . . . . 3441 1 80 . 1 1 17 17 LEU HB3 H 1 .27 0.02 . 2 . . . . . . . . 3441 1 81 . 1 1 17 17 LEU HG H 1 .6 0.02 . 1 . . . . . . . . 3441 1 82 . 1 1 17 17 LEU HD11 H 1 .08 0.02 . 2 . . . . . . . . 3441 1 83 . 1 1 17 17 LEU HD12 H 1 .08 0.02 . 2 . . . . . . . . 3441 1 84 . 1 1 17 17 LEU HD13 H 1 .08 0.02 . 2 . . . . . . . . 3441 1 85 . 1 1 17 17 LEU HD21 H 1 .81 0.02 . 2 . . . . . . . . 3441 1 86 . 1 1 17 17 LEU HD22 H 1 .81 0.02 . 2 . . . . . . . . 3441 1 87 . 1 1 17 17 LEU HD23 H 1 .81 0.02 . 2 . . . . . . . . 3441 1 88 . 1 1 18 18 ASP H H 1 8.72 0.02 . 1 . . . . . . . . 3441 1 89 . 1 1 18 18 ASP HA H 1 4.24 0.02 . 1 . . . . . . . . 3441 1 90 . 1 1 18 18 ASP HB2 H 1 2.98 0.02 . 2 . . . . . . . . 3441 1 91 . 1 1 18 18 ASP HB3 H 1 2.34 0.02 . 2 . . . . . . . . 3441 1 92 . 1 1 19 19 ASN H H 1 8.37 0.02 . 1 . . . . . . . . 3441 1 93 . 1 1 19 19 ASN HA H 1 3.9 0.02 . 1 . . . . . . . . 3441 1 94 . 1 1 19 19 ASN HB2 H 1 3.03 0.02 . 2 . . . . . . . . 3441 1 95 . 1 1 19 19 ASN HB3 H 1 2.84 0.02 . 2 . . . . . . . . 3441 1 96 . 1 1 20 20 TYR H H 1 8.09 0.02 . 1 . . . . . . . . 3441 1 97 . 1 1 20 20 TYR HA H 1 4.22 0.02 . 1 . . . . . . . . 3441 1 98 . 1 1 20 20 TYR HB2 H 1 3.17 0.02 . 2 . . . . . . . . 3441 1 99 . 1 1 20 20 TYR HB3 H 1 2.96 0.02 . 2 . . . . . . . . 3441 1 100 . 1 1 20 20 TYR HD1 H 1 7.17 0.02 . 1 . . . . . . . . 3441 1 101 . 1 1 20 20 TYR HD2 H 1 7.17 0.02 . 1 . . . . . . . . 3441 1 102 . 1 1 20 20 TYR HE1 H 1 6.94 0.02 . 1 . . . . . . . . 3441 1 103 . 1 1 20 20 TYR HE2 H 1 6.94 0.02 . 1 . . . . . . . . 3441 1 104 . 1 1 21 21 ARG H H 1 8.93 0.02 . 1 . . . . . . . . 3441 1 105 . 1 1 21 21 ARG HA H 1 3.58 0.02 . 1 . . . . . . . . 3441 1 106 . 1 1 22 22 GLY H H 1 7.6 0.02 . 1 . . . . . . . . 3441 1 107 . 1 1 22 22 GLY HA2 H 1 3.96 0.02 . 2 . . . . . . . . 3441 1 108 . 1 1 22 22 GLY HA3 H 1 3.48 0.02 . 2 . . . . . . . . 3441 1 109 . 1 1 23 23 TYR H H 1 7.76 0.02 . 1 . . . . . . . . 3441 1 110 . 1 1 23 23 TYR HA H 1 4.57 0.02 . 1 . . . . . . . . 3441 1 111 . 1 1 23 23 TYR HB2 H 1 3.37 0.02 . 2 . . . . . . . . 3441 1 112 . 1 1 23 23 TYR HB3 H 1 2.45 0.02 . 2 . . . . . . . . 3441 1 113 . 1 1 23 23 TYR HD1 H 1 7.08 0.02 . 1 . . . . . . . . 3441 1 114 . 1 1 23 23 TYR HD2 H 1 7.08 0.02 . 1 . . . . . . . . 3441 1 115 . 1 1 23 23 TYR HE1 H 1 6.74 0.02 . 1 . . . . . . . . 3441 1 116 . 1 1 23 23 TYR HE2 H 1 6.74 0.02 . 1 . . . . . . . . 3441 1 117 . 1 1 24 24 SER H H 1 9.01 0.02 . 1 . . . . . . . . 3441 1 118 . 1 1 24 24 SER HA H 1 4.51 0.02 . 1 . . . . . . . . 3441 1 119 . 1 1 25 25 LEU H H 1 9.14 0.02 . 1 . . . . . . . . 3441 1 120 . 1 1 25 25 LEU HA H 1 4.35 0.02 . 1 . . . . . . . . 3441 1 121 . 1 1 25 25 LEU HG H 1 1.51 0.02 . 1 . . . . . . . . 3441 1 122 . 1 1 25 25 LEU HD11 H 1 .96 0.02 . 2 . . . . . . . . 3441 1 123 . 1 1 25 25 LEU HD12 H 1 .96 0.02 . 2 . . . . . . . . 3441 1 124 . 1 1 25 25 LEU HD13 H 1 .96 0.02 . 2 . . . . . . . . 3441 1 125 . 1 1 25 25 LEU HD21 H 1 .8 0.02 . 2 . . . . . . . . 3441 1 126 . 1 1 25 25 LEU HD22 H 1 .8 0.02 . 2 . . . . . . . . 3441 1 127 . 1 1 25 25 LEU HD23 H 1 .8 0.02 . 2 . . . . . . . . 3441 1 128 . 1 1 26 26 GLY H H 1 9.74 0.02 . 1 . . . . . . . . 3441 1 129 . 1 1 26 26 GLY HA2 H 1 4.22 0.02 . 2 . . . . . . . . 3441 1 130 . 1 1 26 26 GLY HA3 H 1 3.62 0.02 . 2 . . . . . . . . 3441 1 131 . 1 1 27 27 ASN H H 1 8.3 0.02 . 1 . . . . . . . . 3441 1 132 . 1 1 27 27 ASN HA H 1 4.13 0.02 . 1 . . . . . . . . 3441 1 133 . 1 1 27 27 ASN HB2 H 1 2.72 0.02 . 2 . . . . . . . . 3441 1 134 . 1 1 27 27 ASN HB3 H 1 2.25 0.02 . 2 . . . . . . . . 3441 1 135 . 1 1 28 28 TRP H H 1 7.17 0.02 . 1 . . . . . . . . 3441 1 136 . 1 1 28 28 TRP HA H 1 3.65 0.02 . 1 . . . . . . . . 3441 1 137 . 1 1 28 28 TRP HB2 H 1 3.22 0.02 . 2 . . . . . . . . 3441 1 138 . 1 1 28 28 TRP HB3 H 1 3.09 0.02 . 2 . . . . . . . . 3441 1 139 . 1 1 28 28 TRP HD1 H 1 7.29 0.02 . 1 . . . . . . . . 3441 1 140 . 1 1 28 28 TRP HE1 H 1 9.41 0.02 . 1 . . . . . . . . 3441 1 141 . 1 1 28 28 TRP HE3 H 1 6.6 0.02 . 1 . . . . . . . . 3441 1 142 . 1 1 28 28 TRP HZ2 H 1 7.52 0.02 . 1 . . . . . . . . 3441 1 143 . 1 1 28 28 TRP HZ3 H 1 6.24 0.02 . 1 . . . . . . . . 3441 1 144 . 1 1 28 28 TRP HH2 H 1 6.69 0.02 . 1 . . . . . . . . 3441 1 145 . 1 1 29 29 VAL H H 1 7.32 0.02 . 1 . . . . . . . . 3441 1 146 . 1 1 29 29 VAL HA H 1 3.42 0.02 . 1 . . . . . . . . 3441 1 147 . 1 1 29 29 VAL HB H 1 1.91 0.02 . 1 . . . . . . . . 3441 1 148 . 1 1 29 29 VAL HG11 H 1 1.24 0.02 . 2 . . . . . . . . 3441 1 149 . 1 1 29 29 VAL HG12 H 1 1.24 0.02 . 2 . . . . . . . . 3441 1 150 . 1 1 29 29 VAL HG13 H 1 1.24 0.02 . 2 . . . . . . . . 3441 1 151 . 1 1 29 29 VAL HG21 H 1 .9 0.02 . 2 . . . . . . . . 3441 1 152 . 1 1 29 29 VAL HG22 H 1 .9 0.02 . 2 . . . . . . . . 3441 1 153 . 1 1 29 29 VAL HG23 H 1 .9 0.02 . 2 . . . . . . . . 3441 1 154 . 1 1 30 30 CYS H H 1 7.95 0.02 . 1 . . . . . . . . 3441 1 155 . 1 1 30 30 CYS HA H 1 2.41 0.02 . 1 . . . . . . . . 3441 1 156 . 1 1 30 30 CYS HB2 H 1 2.87 0.02 . 1 . . . . . . . . 3441 1 157 . 1 1 30 30 CYS HB3 H 1 2.87 0.02 . 1 . . . . . . . . 3441 1 158 . 1 1 31 31 ALA H H 1 8.05 0.02 . 1 . . . . . . . . 3441 1 159 . 1 1 31 31 ALA HA H 1 3.67 0.02 . 1 . . . . . . . . 3441 1 160 . 1 1 31 31 ALA HB1 H 1 .94 0.02 . 1 . . . . . . . . 3441 1 161 . 1 1 31 31 ALA HB2 H 1 .94 0.02 . 1 . . . . . . . . 3441 1 162 . 1 1 31 31 ALA HB3 H 1 .94 0.02 . 1 . . . . . . . . 3441 1 163 . 1 1 32 32 ALA H H 1 7.5 0.02 . 1 . . . . . . . . 3441 1 164 . 1 1 32 32 ALA HA H 1 4 0.02 . 1 . . . . . . . . 3441 1 165 . 1 1 32 32 ALA HB1 H 1 1.31 0.02 . 1 . . . . . . . . 3441 1 166 . 1 1 32 32 ALA HB2 H 1 1.31 0.02 . 1 . . . . . . . . 3441 1 167 . 1 1 32 32 ALA HB3 H 1 1.31 0.02 . 1 . . . . . . . . 3441 1 168 . 1 1 33 33 LYS H H 1 7.87 0.02 . 1 . . . . . . . . 3441 1 169 . 1 1 33 33 LYS HA H 1 2.54 0.02 . 1 . . . . . . . . 3441 1 170 . 1 1 34 34 PHE H H 1 7.32 0.02 . 1 . . . . . . . . 3441 1 171 . 1 1 34 34 PHE HA H 1 4.29 0.02 . 1 . . . . . . . . 3441 1 172 . 1 1 34 34 PHE HB2 H 1 3.15 0.02 . 2 . . . . . . . . 3441 1 173 . 1 1 34 34 PHE HB3 H 1 2.26 0.02 . 2 . . . . . . . . 3441 1 174 . 1 1 34 34 PHE HD1 H 1 7.21 0.02 . 1 . . . . . . . . 3441 1 175 . 1 1 34 34 PHE HD2 H 1 7.21 0.02 . 1 . . . . . . . . 3441 1 176 . 1 1 34 34 PHE HE1 H 1 7.35 0.02 . 1 . . . . . . . . 3441 1 177 . 1 1 34 34 PHE HE2 H 1 7.35 0.02 . 1 . . . . . . . . 3441 1 178 . 1 1 34 34 PHE HZ H 1 7.48 0.02 . 1 . . . . . . . . 3441 1 179 . 1 1 35 35 GLU H H 1 8.58 0.02 . 1 . . . . . . . . 3441 1 180 . 1 1 35 35 GLU HA H 1 4.46 0.02 . 1 . . . . . . . . 3441 1 181 . 1 1 35 35 GLU HB2 H 1 2 0.02 . 1 . . . . . . . . 3441 1 182 . 1 1 35 35 GLU HB3 H 1 2 0.02 . 1 . . . . . . . . 3441 1 183 . 1 1 36 36 SER H H 1 7.86 0.02 . 1 . . . . . . . . 3441 1 184 . 1 1 36 36 SER HA H 1 4.57 0.02 . 1 . . . . . . . . 3441 1 185 . 1 1 37 37 ASN H H 1 8.13 0.02 . 1 . . . . . . . . 3441 1 186 . 1 1 37 37 ASN HA H 1 4.46 0.02 . 1 . . . . . . . . 3441 1 187 . 1 1 37 37 ASN HB2 H 1 3.29 0.02 . 2 . . . . . . . . 3441 1 188 . 1 1 37 37 ASN HB3 H 1 2.46 0.02 . 2 . . . . . . . . 3441 1 189 . 1 1 38 38 PHE H H 1 7.34 0.02 . 1 . . . . . . . . 3441 1 190 . 1 1 38 38 PHE HA H 1 3.83 0.02 . 1 . . . . . . . . 3441 1 191 . 1 1 38 38 PHE HB2 H 1 3.57 0.02 . 2 . . . . . . . . 3441 1 192 . 1 1 38 38 PHE HB3 H 1 3.43 0.02 . 2 . . . . . . . . 3441 1 193 . 1 1 38 38 PHE HD1 H 1 6.96 0.02 . 1 . . . . . . . . 3441 1 194 . 1 1 38 38 PHE HD2 H 1 6.96 0.02 . 1 . . . . . . . . 3441 1 195 . 1 1 38 38 PHE HE1 H 1 7.43 0.02 . 1 . . . . . . . . 3441 1 196 . 1 1 38 38 PHE HE2 H 1 7.43 0.02 . 1 . . . . . . . . 3441 1 197 . 1 1 38 38 PHE HZ H 1 7.96 0.02 . 1 . . . . . . . . 3441 1 198 . 1 1 39 39 ASN H H 1 7.39 0.02 . 1 . . . . . . . . 3441 1 199 . 1 1 39 39 ASN HA H 1 5.36 0.02 . 1 . . . . . . . . 3441 1 200 . 1 1 39 39 ASN HB2 H 1 3.46 0.02 . 2 . . . . . . . . 3441 1 201 . 1 1 39 39 ASN HB3 H 1 2.82 0.02 . 2 . . . . . . . . 3441 1 202 . 1 1 40 40 THR H H 1 9.29 0.02 . 1 . . . . . . . . 3441 1 203 . 1 1 40 40 THR HA H 1 4.05 0.02 . 1 . . . . . . . . 3441 1 204 . 1 1 40 40 THR HB H 1 4.67 0.02 . 1 . . . . . . . . 3441 1 205 . 1 1 40 40 THR HG21 H 1 1.63 0.02 . 1 . . . . . . . . 3441 1 206 . 1 1 40 40 THR HG22 H 1 1.63 0.02 . 1 . . . . . . . . 3441 1 207 . 1 1 40 40 THR HG23 H 1 1.63 0.02 . 1 . . . . . . . . 3441 1 208 . 1 1 41 41 HIS H H 1 8.21 0.02 . 1 . . . . . . . . 3441 1 209 . 1 1 41 41 HIS HA H 1 4.74 0.02 . 1 . . . . . . . . 3441 1 210 . 1 1 41 41 HIS HB2 H 1 3.39 0.02 . 2 . . . . . . . . 3441 1 211 . 1 1 41 41 HIS HB3 H 1 3.12 0.02 . 2 . . . . . . . . 3441 1 212 . 1 1 41 41 HIS HD2 H 1 7.39 0.02 . 1 . . . . . . . . 3441 1 213 . 1 1 41 41 HIS HE1 H 1 8.54 0.02 . 1 . . . . . . . . 3441 1 214 . 1 1 42 42 ALA H H 1 6.9 0.02 . 1 . . . . . . . . 3441 1 215 . 1 1 42 42 ALA HA H 1 4.2 0.02 . 1 . . . . . . . . 3441 1 216 . 1 1 42 42 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 3441 1 217 . 1 1 42 42 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 3441 1 218 . 1 1 42 42 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 3441 1 219 . 1 1 43 43 THR H H 1 8.25 0.02 . 1 . . . . . . . . 3441 1 220 . 1 1 43 43 THR HA H 1 5.13 0.02 . 1 . . . . . . . . 3441 1 221 . 1 1 43 43 THR HB H 1 3.68 0.02 . 1 . . . . . . . . 3441 1 222 . 1 1 43 43 THR HG21 H 1 1.02 0.02 . 1 . . . . . . . . 3441 1 223 . 1 1 43 43 THR HG22 H 1 1.02 0.02 . 1 . . . . . . . . 3441 1 224 . 1 1 43 43 THR HG23 H 1 1.02 0.02 . 1 . . . . . . . . 3441 1 225 . 1 1 44 44 ASN H H 1 8.14 0.02 . 1 . . . . . . . . 3441 1 226 . 1 1 44 44 ASN HA H 1 4.97 0.02 . 1 . . . . . . . . 3441 1 227 . 1 1 44 44 ASN HB2 H 1 2.75 0.02 . 2 . . . . . . . . 3441 1 228 . 1 1 44 44 ASN HB3 H 1 2.68 0.02 . 2 . . . . . . . . 3441 1 229 . 1 1 45 45 ARG H H 1 8.78 0.02 . 1 . . . . . . . . 3441 1 230 . 1 1 45 45 ARG HA H 1 4.48 0.02 . 1 . . . . . . . . 3441 1 231 . 1 1 45 45 ARG HB2 H 1 1.8 0.02 . 2 . . . . . . . . 3441 1 232 . 1 1 45 45 ARG HB3 H 1 1.68 0.02 . 2 . . . . . . . . 3441 1 233 . 1 1 46 46 ASN H H 1 8.84 0.02 . 1 . . . . . . . . 3441 1 234 . 1 1 46 46 ASN HA H 1 5.1 0.02 . 1 . . . . . . . . 3441 1 235 . 1 1 46 46 ASN HB2 H 1 2.81 0.02 . 1 . . . . . . . . 3441 1 236 . 1 1 46 46 ASN HB3 H 1 2.81 0.02 . 1 . . . . . . . . 3441 1 237 . 1 1 47 47 THR H H 1 8.8 0.02 . 1 . . . . . . . . 3441 1 238 . 1 1 47 47 THR HA H 1 4.08 0.02 . 1 . . . . . . . . 3441 1 239 . 1 1 47 47 THR HB H 1 4.34 0.02 . 1 . . . . . . . . 3441 1 240 . 1 1 47 47 THR HG21 H 1 1.32 0.02 . 1 . . . . . . . . 3441 1 241 . 1 1 47 47 THR HG22 H 1 1.32 0.02 . 1 . . . . . . . . 3441 1 242 . 1 1 47 47 THR HG23 H 1 1.32 0.02 . 1 . . . . . . . . 3441 1 243 . 1 1 48 48 ASP H H 1 7.82 0.02 . 1 . . . . . . . . 3441 1 244 . 1 1 48 48 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 3441 1 245 . 1 1 48 48 ASP HB2 H 1 3.05 0.02 . 2 . . . . . . . . 3441 1 246 . 1 1 48 48 ASP HB3 H 1 2.64 0.02 . 2 . . . . . . . . 3441 1 247 . 1 1 49 49 GLY H H 1 7.84 0.02 . 1 . . . . . . . . 3441 1 248 . 1 1 49 49 GLY HA2 H 1 3.69 0.02 . 2 . . . . . . . . 3441 1 249 . 1 1 49 49 GLY HA3 H 1 4.38 0.02 . 2 . . . . . . . . 3441 1 250 . 1 1 50 50 SER H H 1 8.26 0.02 . 1 . . . . . . . . 3441 1 251 . 1 1 50 50 SER HA H 1 4.52 0.02 . 1 . . . . . . . . 3441 1 252 . 1 1 51 51 THR H H 1 9.11 0.02 . 1 . . . . . . . . 3441 1 253 . 1 1 51 51 THR HA H 1 4.9 0.02 . 1 . . . . . . . . 3441 1 254 . 1 1 51 51 THR HB H 1 3.72 0.02 . 1 . . . . . . . . 3441 1 255 . 1 1 51 51 THR HG21 H 1 .26 0.02 . 1 . . . . . . . . 3441 1 256 . 1 1 51 51 THR HG22 H 1 .26 0.02 . 1 . . . . . . . . 3441 1 257 . 1 1 51 51 THR HG23 H 1 .26 0.02 . 1 . . . . . . . . 3441 1 258 . 1 1 52 52 ASP H H 1 8.78 0.02 . 1 . . . . . . . . 3441 1 259 . 1 1 52 52 ASP HA H 1 5.15 0.02 . 1 . . . . . . . . 3441 1 260 . 1 1 52 52 ASP HB2 H 1 2.51 0.02 . 2 . . . . . . . . 3441 1 261 . 1 1 52 52 ASP HB3 H 1 1.95 0.02 . 2 . . . . . . . . 3441 1 262 . 1 1 53 53 TYR H H 1 9.01 0.02 . 1 . . . . . . . . 3441 1 263 . 1 1 53 53 TYR HA H 1 4.72 0.02 . 1 . . . . . . . . 3441 1 264 . 1 1 53 53 TYR HB2 H 1 2.94 0.02 . 1 . . . . . . . . 3441 1 265 . 1 1 53 53 TYR HB3 H 1 2.94 0.02 . 1 . . . . . . . . 3441 1 266 . 1 1 53 53 TYR HD1 H 1 7.06 0.02 . 1 . . . . . . . . 3441 1 267 . 1 1 53 53 TYR HD2 H 1 7.06 0.02 . 1 . . . . . . . . 3441 1 268 . 1 1 53 53 TYR HE1 H 1 6.8 0.02 . 1 . . . . . . . . 3441 1 269 . 1 1 53 53 TYR HE2 H 1 6.8 0.02 . 1 . . . . . . . . 3441 1 270 . 1 1 54 54 GLY H H 1 8.99 0.02 . 1 . . . . . . . . 3441 1 271 . 1 1 54 54 GLY HA2 H 1 4.45 0.02 . 2 . . . . . . . . 3441 1 272 . 1 1 54 54 GLY HA3 H 1 4.35 0.02 . 2 . . . . . . . . 3441 1 273 . 1 1 55 55 ILE H H 1 9.2 0.02 . 1 . . . . . . . . 3441 1 274 . 1 1 55 55 ILE HA H 1 4.29 0.02 . 1 . . . . . . . . 3441 1 275 . 1 1 55 55 ILE HB H 1 1.83 0.02 . 1 . . . . . . . . 3441 1 276 . 1 1 55 55 ILE HG12 H 1 1.45 0.02 . 2 . . . . . . . . 3441 1 277 . 1 1 55 55 ILE HG13 H 1 1.04 0.02 . 2 . . . . . . . . 3441 1 278 . 1 1 55 55 ILE HD11 H 1 .84 0.02 . 1 . . . . . . . . 3441 1 279 . 1 1 55 55 ILE HD12 H 1 .84 0.02 . 1 . . . . . . . . 3441 1 280 . 1 1 55 55 ILE HD13 H 1 .84 0.02 . 1 . . . . . . . . 3441 1 281 . 1 1 56 56 LEU H H 1 8.89 0.02 . 1 . . . . . . . . 3441 1 282 . 1 1 56 56 LEU HA H 1 4.41 0.02 . 1 . . . . . . . . 3441 1 283 . 1 1 56 56 LEU HB2 H 1 1.72 0.02 . 2 . . . . . . . . 3441 1 284 . 1 1 56 56 LEU HB3 H 1 1.42 0.02 . 2 . . . . . . . . 3441 1 285 . 1 1 56 56 LEU HG H 1 1.18 0.02 . 1 . . . . . . . . 3441 1 286 . 1 1 56 56 LEU HD11 H 1 .47 0.02 . 2 . . . . . . . . 3441 1 287 . 1 1 56 56 LEU HD12 H 1 .47 0.02 . 2 . . . . . . . . 3441 1 288 . 1 1 56 56 LEU HD13 H 1 .47 0.02 . 2 . . . . . . . . 3441 1 289 . 1 1 56 56 LEU HD21 H 1 .25 0.02 . 2 . . . . . . . . 3441 1 290 . 1 1 56 56 LEU HD22 H 1 .25 0.02 . 2 . . . . . . . . 3441 1 291 . 1 1 56 56 LEU HD23 H 1 .25 0.02 . 2 . . . . . . . . 3441 1 292 . 1 1 57 57 GLN H H 1 7.9 0.02 . 1 . . . . . . . . 3441 1 293 . 1 1 57 57 GLN HA H 1 3.34 0.02 . 1 . . . . . . . . 3441 1 294 . 1 1 58 58 ILE H H 1 7.69 0.02 . 1 . . . . . . . . 3441 1 295 . 1 1 58 58 ILE HA H 1 3.98 0.02 . 1 . . . . . . . . 3441 1 296 . 1 1 58 58 ILE HB H 1 1.82 0.02 . 1 . . . . . . . . 3441 1 297 . 1 1 58 58 ILE HG21 H 1 1.02 0.02 . 1 . . . . . . . . 3441 1 298 . 1 1 58 58 ILE HG22 H 1 1.02 0.02 . 1 . . . . . . . . 3441 1 299 . 1 1 58 58 ILE HG23 H 1 1.02 0.02 . 1 . . . . . . . . 3441 1 300 . 1 1 59 59 ASN H H 1 8.57 0.02 . 1 . . . . . . . . 3441 1 301 . 1 1 59 59 ASN HA H 1 5.6 0.02 . 1 . . . . . . . . 3441 1 302 . 1 1 59 59 ASN HB2 H 1 3.41 0.02 . 2 . . . . . . . . 3441 1 303 . 1 1 59 59 ASN HB3 H 1 2.96 0.02 . 2 . . . . . . . . 3441 1 304 . 1 1 60 60 SER H H 1 9.15 0.02 . 1 . . . . . . . . 3441 1 305 . 1 1 60 60 SER HA H 1 5.12 0.02 . 1 . . . . . . . . 3441 1 306 . 1 1 61 61 ARG H H 1 8.72 0.02 . 1 . . . . . . . . 3441 1 307 . 1 1 61 61 ARG HA H 1 4.04 0.02 . 1 . . . . . . . . 3441 1 308 . 1 1 61 61 ARG HB2 H 1 1.65 0.02 . 1 . . . . . . . . 3441 1 309 . 1 1 61 61 ARG HB3 H 1 1.65 0.02 . 1 . . . . . . . . 3441 1 310 . 1 1 62 62 TRP H H 1 6.99 0.02 . 1 . . . . . . . . 3441 1 311 . 1 1 62 62 TRP HA H 1 4.38 0.02 . 1 . . . . . . . . 3441 1 312 . 1 1 62 62 TRP HB2 H 1 1.82 0.02 . 1 . . . . . . . . 3441 1 313 . 1 1 62 62 TRP HB3 H 1 1.82 0.02 . 1 . . . . . . . . 3441 1 314 . 1 1 62 62 TRP HD1 H 1 7.11 0.02 . 1 . . . . . . . . 3441 1 315 . 1 1 62 62 TRP HE1 H 1 10.17 0.02 . 1 . . . . . . . . 3441 1 316 . 1 1 62 62 TRP HE3 H 1 7.3 0.02 . 1 . . . . . . . . 3441 1 317 . 1 1 62 62 TRP HZ2 H 1 7.43 0.02 . 1 . . . . . . . . 3441 1 318 . 1 1 62 62 TRP HZ3 H 1 7.04 0.02 . 1 . . . . . . . . 3441 1 319 . 1 1 62 62 TRP HH2 H 1 7.19 0.02 . 1 . . . . . . . . 3441 1 320 . 1 1 63 63 TRP H H 1 7.45 0.02 . 1 . . . . . . . . 3441 1 321 . 1 1 63 63 TRP HA H 1 4.94 0.02 . 1 . . . . . . . . 3441 1 322 . 1 1 63 63 TRP HB2 H 1 3.35 0.02 . 2 . . . . . . . . 3441 1 323 . 1 1 63 63 TRP HB3 H 1 2.71 0.02 . 2 . . . . . . . . 3441 1 324 . 1 1 63 63 TRP HD1 H 1 7.66 0.02 . 1 . . . . . . . . 3441 1 325 . 1 1 63 63 TRP HE1 H 1 10.23 0.02 . 1 . . . . . . . . 3441 1 326 . 1 1 63 63 TRP HE3 H 1 7.74 0.02 . 1 . . . . . . . . 3441 1 327 . 1 1 63 63 TRP HZ2 H 1 7.1 0.02 . 1 . . . . . . . . 3441 1 328 . 1 1 63 63 TRP HZ3 H 1 6.81 0.02 . 1 . . . . . . . . 3441 1 329 . 1 1 63 63 TRP HH2 H 1 7.11 0.02 . 1 . . . . . . . . 3441 1 330 . 1 1 64 64 CYS H H 1 7.54 0.02 . 1 . . . . . . . . 3441 1 331 . 1 1 64 64 CYS HA H 1 5.8 0.02 . 1 . . . . . . . . 3441 1 332 . 1 1 64 64 CYS HB2 H 1 2.52 0.02 . 2 . . . . . . . . 3441 1 333 . 1 1 64 64 CYS HB3 H 1 3.01 0.02 . 2 . . . . . . . . 3441 1 334 . 1 1 65 65 ASN H H 1 8.24 0.02 . 1 . . . . . . . . 3441 1 335 . 1 1 65 65 ASN HA H 1 5.5 0.02 . 1 . . . . . . . . 3441 1 336 . 1 1 65 65 ASN HB2 H 1 2.81 0.02 . 2 . . . . . . . . 3441 1 337 . 1 1 65 65 ASN HB3 H 1 2.44 0.02 . 2 . . . . . . . . 3441 1 338 . 1 1 66 66 ASN H H 1 9.67 0.02 . 1 . . . . . . . . 3441 1 339 . 1 1 66 66 ASN HA H 1 4.96 0.02 . 1 . . . . . . . . 3441 1 340 . 1 1 66 66 ASN HB2 H 1 3.23 0.02 . 2 . . . . . . . . 3441 1 341 . 1 1 66 66 ASN HB3 H 1 2.2 0.02 . 2 . . . . . . . . 3441 1 342 . 1 1 67 67 GLY H H 1 8.3 0.02 . 1 . . . . . . . . 3441 1 343 . 1 1 67 67 GLY HA2 H 1 4.11 0.02 . 2 . . . . . . . . 3441 1 344 . 1 1 67 67 GLY HA3 H 1 3.82 0.02 . 2 . . . . . . . . 3441 1 345 . 1 1 68 68 ARG H H 1 8.05 0.02 . 1 . . . . . . . . 3441 1 346 . 1 1 68 68 ARG HA H 1 4.73 0.02 . 1 . . . . . . . . 3441 1 347 . 1 1 68 68 ARG HB2 H 1 1.79 0.02 . 1 . . . . . . . . 3441 1 348 . 1 1 68 68 ARG HB3 H 1 1.79 0.02 . 1 . . . . . . . . 3441 1 349 . 1 1 69 69 THR H H 1 8.17 0.02 . 1 . . . . . . . . 3441 1 350 . 1 1 69 69 THR HA H 1 4.57 0.02 . 1 . . . . . . . . 3441 1 351 . 1 1 69 69 THR HB H 1 4.14 0.02 . 1 . . . . . . . . 3441 1 352 . 1 1 69 69 THR HG21 H 1 .86 0.02 . 1 . . . . . . . . 3441 1 353 . 1 1 69 69 THR HG22 H 1 .86 0.02 . 1 . . . . . . . . 3441 1 354 . 1 1 69 69 THR HG23 H 1 .86 0.02 . 1 . . . . . . . . 3441 1 355 . 1 1 70 70 PRO HA H 1 4.3 0.02 . 1 . . . . . . . . 3441 1 356 . 1 1 71 71 GLY H H 1 8.66 0.02 . 1 . . . . . . . . 3441 1 357 . 1 1 71 71 GLY HA2 H 1 3.78 0.02 . 2 . . . . . . . . 3441 1 358 . 1 1 71 71 GLY HA3 H 1 3.64 0.02 . 2 . . . . . . . . 3441 1 359 . 1 1 72 72 SER H H 1 7.27 0.02 . 1 . . . . . . . . 3441 1 360 . 1 1 72 72 SER HA H 1 4.52 0.02 . 1 . . . . . . . . 3441 1 361 . 1 1 72 72 SER HB2 H 1 4.22 0.02 . 2 . . . . . . . . 3441 1 362 . 1 1 72 72 SER HB3 H 1 3.73 0.02 . 2 . . . . . . . . 3441 1 363 . 1 1 73 73 LYS H H 1 7.97 0.02 . 1 . . . . . . . . 3441 1 364 . 1 1 73 73 LYS HA H 1 4.19 0.02 . 1 . . . . . . . . 3441 1 365 . 1 1 73 73 LYS HB2 H 1 1.84 0.02 . 1 . . . . . . . . 3441 1 366 . 1 1 73 73 LYS HB3 H 1 1.84 0.02 . 1 . . . . . . . . 3441 1 367 . 1 1 74 74 ASN H H 1 8.14 0.02 . 1 . . . . . . . . 3441 1 368 . 1 1 74 74 ASN HA H 1 3.73 0.02 . 1 . . . . . . . . 3441 1 369 . 1 1 74 74 ASN HB2 H 1 3.04 0.02 . 2 . . . . . . . . 3441 1 370 . 1 1 74 74 ASN HB3 H 1 1.98 0.02 . 2 . . . . . . . . 3441 1 371 . 1 1 75 75 LEU H H 1 9.04 0.02 . 1 . . . . . . . . 3441 1 372 . 1 1 75 75 LEU HA H 1 4.09 0.02 . 1 . . . . . . . . 3441 1 373 . 1 1 75 75 LEU HB2 H 1 2.09 0.02 . 1 . . . . . . . . 3441 1 374 . 1 1 75 75 LEU HB3 H 1 2.09 0.02 . 1 . . . . . . . . 3441 1 375 . 1 1 76 76 CYS H H 1 9.43 0.02 . 1 . . . . . . . . 3441 1 376 . 1 1 76 76 CYS HA H 1 4.44 0.02 . 1 . . . . . . . . 3441 1 377 . 1 1 76 76 CYS HB2 H 1 3.65 0.02 . 1 . . . . . . . . 3441 1 378 . 1 1 76 76 CYS HB3 H 1 3.65 0.02 . 1 . . . . . . . . 3441 1 379 . 1 1 77 77 ASN H H 1 8.01 0.02 . 1 . . . . . . . . 3441 1 380 . 1 1 77 77 ASN HA H 1 4.18 0.02 . 1 . . . . . . . . 3441 1 381 . 1 1 77 77 ASN HB2 H 1 3.12 0.02 . 2 . . . . . . . . 3441 1 382 . 1 1 77 77 ASN HB3 H 1 2.47 0.02 . 2 . . . . . . . . 3441 1 383 . 1 1 78 78 ILE H H 1 8.78 0.02 . 1 . . . . . . . . 3441 1 384 . 1 1 78 78 ILE HA H 1 4.95 0.02 . 1 . . . . . . . . 3441 1 385 . 1 1 78 78 ILE HB H 1 1.67 0.02 . 1 . . . . . . . . 3441 1 386 . 1 1 78 78 ILE HG12 H 1 1.52 0.02 . 2 . . . . . . . . 3441 1 387 . 1 1 78 78 ILE HG13 H 1 1.04 0.02 . 2 . . . . . . . . 3441 1 388 . 1 1 78 78 ILE HG21 H 1 .84 0.02 . 1 . . . . . . . . 3441 1 389 . 1 1 78 78 ILE HG22 H 1 .84 0.02 . 1 . . . . . . . . 3441 1 390 . 1 1 78 78 ILE HG23 H 1 .84 0.02 . 1 . . . . . . . . 3441 1 391 . 1 1 78 78 ILE HD11 H 1 .64 0.02 . 1 . . . . . . . . 3441 1 392 . 1 1 78 78 ILE HD12 H 1 .64 0.02 . 1 . . . . . . . . 3441 1 393 . 1 1 78 78 ILE HD13 H 1 .64 0.02 . 1 . . . . . . . . 3441 1 394 . 1 1 79 79 PRO HA H 1 5.15 0.02 . 1 . . . . . . . . 3441 1 395 . 1 1 79 79 PRO HB2 H 1 2.32 0.02 . 2 . . . . . . . . 3441 1 396 . 1 1 79 79 PRO HB3 H 1 1.98 0.02 . 2 . . . . . . . . 3441 1 397 . 1 1 80 80 CYS H H 1 8.22 0.02 . 1 . . . . . . . . 3441 1 398 . 1 1 80 80 CYS HA H 1 3.84 0.02 . 1 . . . . . . . . 3441 1 399 . 1 1 81 81 SER H H 1 8.54 0.02 . 1 . . . . . . . . 3441 1 400 . 1 1 81 81 SER HA H 1 3.73 0.02 . 1 . . . . . . . . 3441 1 401 . 1 1 82 82 ALA H H 1 7.56 0.02 . 1 . . . . . . . . 3441 1 402 . 1 1 82 82 ALA HA H 1 4.2 0.02 . 1 . . . . . . . . 3441 1 403 . 1 1 82 82 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 3441 1 404 . 1 1 82 82 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 3441 1 405 . 1 1 82 82 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 3441 1 406 . 1 1 83 83 LEU H H 1 7.81 0.02 . 1 . . . . . . . . 3441 1 407 . 1 1 83 83 LEU HA H 1 4.23 0.02 . 1 . . . . . . . . 3441 1 408 . 1 1 83 83 LEU HB2 H 1 2.04 0.02 . 1 . . . . . . . . 3441 1 409 . 1 1 83 83 LEU HB3 H 1 2.04 0.02 . 1 . . . . . . . . 3441 1 410 . 1 1 83 83 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 3441 1 411 . 1 1 83 83 LEU HD11 H 1 .99 0.02 . 1 . . . . . . . . 3441 1 412 . 1 1 83 83 LEU HD12 H 1 .99 0.02 . 1 . . . . . . . . 3441 1 413 . 1 1 83 83 LEU HD13 H 1 .99 0.02 . 1 . . . . . . . . 3441 1 414 . 1 1 83 83 LEU HD21 H 1 .99 0.02 . 1 . . . . . . . . 3441 1 415 . 1 1 83 83 LEU HD22 H 1 .99 0.02 . 1 . . . . . . . . 3441 1 416 . 1 1 83 83 LEU HD23 H 1 .99 0.02 . 1 . . . . . . . . 3441 1 417 . 1 1 84 84 LEU H H 1 7.06 0.02 . 1 . . . . . . . . 3441 1 418 . 1 1 84 84 LEU HA H 1 5.01 0.02 . 1 . . . . . . . . 3441 1 419 . 1 1 84 84 LEU HB2 H 1 1.79 0.02 . 1 . . . . . . . . 3441 1 420 . 1 1 84 84 LEU HB3 H 1 1.79 0.02 . 1 . . . . . . . . 3441 1 421 . 1 1 84 84 LEU HG H 1 1.6 0.02 . 1 . . . . . . . . 3441 1 422 . 1 1 84 84 LEU HD11 H 1 .9 0.02 . 1 . . . . . . . . 3441 1 423 . 1 1 84 84 LEU HD12 H 1 .9 0.02 . 1 . . . . . . . . 3441 1 424 . 1 1 84 84 LEU HD13 H 1 .9 0.02 . 1 . . . . . . . . 3441 1 425 . 1 1 84 84 LEU HD21 H 1 .9 0.02 . 1 . . . . . . . . 3441 1 426 . 1 1 84 84 LEU HD22 H 1 .9 0.02 . 1 . . . . . . . . 3441 1 427 . 1 1 84 84 LEU HD23 H 1 .9 0.02 . 1 . . . . . . . . 3441 1 428 . 1 1 85 85 SER H H 1 6.76 0.02 . 1 . . . . . . . . 3441 1 429 . 1 1 85 85 SER HA H 1 4.47 0.02 . 1 . . . . . . . . 3441 1 430 . 1 1 85 85 SER HB2 H 1 4.19 0.02 . 2 . . . . . . . . 3441 1 431 . 1 1 85 85 SER HB3 H 1 3.94 0.02 . 2 . . . . . . . . 3441 1 432 . 1 1 86 86 SER H H 1 8.68 0.02 . 1 . . . . . . . . 3441 1 433 . 1 1 86 86 SER HA H 1 4.32 0.02 . 1 . . . . . . . . 3441 1 434 . 1 1 87 87 ASP H H 1 8.19 0.02 . 1 . . . . . . . . 3441 1 435 . 1 1 87 87 ASP HA H 1 4.78 0.02 . 1 . . . . . . . . 3441 1 436 . 1 1 87 87 ASP HB2 H 1 2.89 0.02 . 2 . . . . . . . . 3441 1 437 . 1 1 87 87 ASP HB3 H 1 2.62 0.02 . 2 . . . . . . . . 3441 1 438 . 1 1 88 88 ILE H H 1 8.07 0.02 . 1 . . . . . . . . 3441 1 439 . 1 1 88 88 ILE HA H 1 4.68 0.02 . 1 . . . . . . . . 3441 1 440 . 1 1 88 88 ILE HB H 1 1.91 0.02 . 1 . . . . . . . . 3441 1 441 . 1 1 88 88 ILE HG12 H 1 1.16 0.02 . 2 . . . . . . . . 3441 1 442 . 1 1 88 88 ILE HG13 H 1 .85 0.02 . 2 . . . . . . . . 3441 1 443 . 1 1 88 88 ILE HG21 H 1 .72 0.02 . 1 . . . . . . . . 3441 1 444 . 1 1 88 88 ILE HG22 H 1 .72 0.02 . 1 . . . . . . . . 3441 1 445 . 1 1 88 88 ILE HG23 H 1 .72 0.02 . 1 . . . . . . . . 3441 1 446 . 1 1 88 88 ILE HD11 H 1 .28 0.02 . 1 . . . . . . . . 3441 1 447 . 1 1 88 88 ILE HD12 H 1 .28 0.02 . 1 . . . . . . . . 3441 1 448 . 1 1 88 88 ILE HD13 H 1 .28 0.02 . 1 . . . . . . . . 3441 1 449 . 1 1 89 89 THR H H 1 8.45 0.02 . 1 . . . . . . . . 3441 1 450 . 1 1 89 89 THR HA H 1 3.47 0.02 . 1 . . . . . . . . 3441 1 451 . 1 1 89 89 THR HB H 1 4.01 0.02 . 1 . . . . . . . . 3441 1 452 . 1 1 89 89 THR HG21 H 1 1.09 0.02 . 1 . . . . . . . . 3441 1 453 . 1 1 89 89 THR HG22 H 1 1.09 0.02 . 1 . . . . . . . . 3441 1 454 . 1 1 89 89 THR HG23 H 1 1.09 0.02 . 1 . . . . . . . . 3441 1 455 . 1 1 90 90 ALA H H 1 9.08 0.02 . 1 . . . . . . . . 3441 1 456 . 1 1 90 90 ALA HA H 1 4.09 0.02 . 1 . . . . . . . . 3441 1 457 . 1 1 90 90 ALA HB1 H 1 1.32 0.02 . 1 . . . . . . . . 3441 1 458 . 1 1 90 90 ALA HB2 H 1 1.32 0.02 . 1 . . . . . . . . 3441 1 459 . 1 1 90 90 ALA HB3 H 1 1.32 0.02 . 1 . . . . . . . . 3441 1 460 . 1 1 91 91 SER H H 1 7.74 0.02 . 1 . . . . . . . . 3441 1 461 . 1 1 91 91 SER HA H 1 4.08 0.02 . 1 . . . . . . . . 3441 1 462 . 1 1 92 92 VAL H H 1 8.45 0.02 . 1 . . . . . . . . 3441 1 463 . 1 1 92 92 VAL HA H 1 3.11 0.02 . 1 . . . . . . . . 3441 1 464 . 1 1 92 92 VAL HB H 1 1.97 0.02 . 1 . . . . . . . . 3441 1 465 . 1 1 92 92 VAL HG11 H 1 .59 0.02 . 2 . . . . . . . . 3441 1 466 . 1 1 92 92 VAL HG12 H 1 .59 0.02 . 2 . . . . . . . . 3441 1 467 . 1 1 92 92 VAL HG13 H 1 .59 0.02 . 2 . . . . . . . . 3441 1 468 . 1 1 92 92 VAL HG21 H 1 .53 0.02 . 2 . . . . . . . . 3441 1 469 . 1 1 92 92 VAL HG22 H 1 .53 0.02 . 2 . . . . . . . . 3441 1 470 . 1 1 92 92 VAL HG23 H 1 .53 0.02 . 2 . . . . . . . . 3441 1 471 . 1 1 93 93 ASN H H 1 8.71 0.02 . 1 . . . . . . . . 3441 1 472 . 1 1 93 93 ASN HA H 1 4.25 0.02 . 1 . . . . . . . . 3441 1 473 . 1 1 93 93 ASN HB2 H 1 2.82 0.02 . 2 . . . . . . . . 3441 1 474 . 1 1 93 93 ASN HB3 H 1 2.7 0.02 . 2 . . . . . . . . 3441 1 475 . 1 1 94 94 CYS H H 1 7.85 0.02 . 1 . . . . . . . . 3441 1 476 . 1 1 94 94 CYS HA H 1 4.94 0.02 . 1 . . . . . . . . 3441 1 477 . 1 1 94 94 CYS HB2 H 1 3.3 0.02 . 1 . . . . . . . . 3441 1 478 . 1 1 94 94 CYS HB3 H 1 3.3 0.02 . 1 . . . . . . . . 3441 1 479 . 1 1 95 95 ALA H H 1 8.8 0.02 . 1 . . . . . . . . 3441 1 480 . 1 1 95 95 ALA HA H 1 4.11 0.02 . 1 . . . . . . . . 3441 1 481 . 1 1 95 95 ALA HB1 H 1 1.52 0.02 . 1 . . . . . . . . 3441 1 482 . 1 1 95 95 ALA HB2 H 1 1.52 0.02 . 1 . . . . . . . . 3441 1 483 . 1 1 95 95 ALA HB3 H 1 1.52 0.02 . 1 . . . . . . . . 3441 1 484 . 1 1 96 96 LYS H H 1 8.08 0.02 . 1 . . . . . . . . 3441 1 485 . 1 1 96 96 LYS HA H 1 3.62 0.02 . 1 . . . . . . . . 3441 1 486 . 1 1 97 97 LYS H H 1 7.17 0.02 . 1 . . . . . . . . 3441 1 487 . 1 1 97 97 LYS HA H 1 4.12 0.02 . 1 . . . . . . . . 3441 1 488 . 1 1 97 97 LYS HB2 H 1 2.16 0.02 . 1 . . . . . . . . 3441 1 489 . 1 1 97 97 LYS HB3 H 1 2.16 0.02 . 1 . . . . . . . . 3441 1 490 . 1 1 98 98 ILE H H 1 8.09 0.02 . 1 . . . . . . . . 3441 1 491 . 1 1 98 98 ILE HA H 1 2.77 0.02 . 1 . . . . . . . . 3441 1 492 . 1 1 98 98 ILE HB H 1 1.45 0.02 . 1 . . . . . . . . 3441 1 493 . 1 1 98 98 ILE HG12 H 1 .49 0.02 . 2 . . . . . . . . 3441 1 494 . 1 1 98 98 ILE HG13 H 1 2.15 0.02 . 2 . . . . . . . . 3441 1 495 . 1 1 98 98 ILE HG21 H 1 .4 0.02 . 1 . . . . . . . . 3441 1 496 . 1 1 98 98 ILE HG22 H 1 .4 0.02 . 1 . . . . . . . . 3441 1 497 . 1 1 98 98 ILE HG23 H 1 .4 0.02 . 1 . . . . . . . . 3441 1 498 . 1 1 98 98 ILE HD11 H 1 -.07 0.02 . 1 . . . . . . . . 3441 1 499 . 1 1 98 98 ILE HD12 H 1 -.07 0.02 . 1 . . . . . . . . 3441 1 500 . 1 1 98 98 ILE HD13 H 1 -.07 0.02 . 1 . . . . . . . . 3441 1 501 . 1 1 99 99 ALA H H 1 8.56 0.02 . 1 . . . . . . . . 3441 1 502 . 1 1 99 99 ALA HA H 1 4.1 0.02 . 1 . . . . . . . . 3441 1 503 . 1 1 99 99 ALA HB1 H 1 1.71 0.02 . 1 . . . . . . . . 3441 1 504 . 1 1 99 99 ALA HB2 H 1 1.71 0.02 . 1 . . . . . . . . 3441 1 505 . 1 1 99 99 ALA HB3 H 1 1.71 0.02 . 1 . . . . . . . . 3441 1 506 . 1 1 100 100 SER H H 1 7.58 0.02 . 1 . . . . . . . . 3441 1 507 . 1 1 100 100 SER HA H 1 4.35 0.02 . 1 . . . . . . . . 3441 1 508 . 1 1 101 101 GLY H H 1 7.73 0.02 . 1 . . . . . . . . 3441 1 509 . 1 1 101 101 GLY HA2 H 1 4.02 0.02 . 2 . . . . . . . . 3441 1 510 . 1 1 101 101 GLY HA3 H 1 4.33 0.02 . 2 . . . . . . . . 3441 1 511 . 1 1 102 102 GLY H H 1 8.48 0.02 . 1 . . . . . . . . 3441 1 512 . 1 1 102 102 GLY HA2 H 1 4.04 0.02 . 2 . . . . . . . . 3441 1 513 . 1 1 102 102 GLY HA3 H 1 3.82 0.02 . 2 . . . . . . . . 3441 1 514 . 1 1 103 103 ASN H H 1 8.33 0.02 . 1 . . . . . . . . 3441 1 515 . 1 1 103 103 ASN HA H 1 4.91 0.02 . 1 . . . . . . . . 3441 1 516 . 1 1 103 103 ASN HB2 H 1 2.7 0.02 . 1 . . . . . . . . 3441 1 517 . 1 1 103 103 ASN HB3 H 1 2.7 0.02 . 1 . . . . . . . . 3441 1 518 . 1 1 104 104 GLY H H 1 7.97 0.02 . 1 . . . . . . . . 3441 1 519 . 1 1 104 104 GLY HA2 H 1 4.19 0.02 . 1 . . . . . . . . 3441 1 520 . 1 1 104 104 GLY HA3 H 1 4.19 0.02 . 1 . . . . . . . . 3441 1 521 . 1 1 105 105 MET H H 1 7.05 0.02 . 1 . . . . . . . . 3441 1 522 . 1 1 105 105 MET HA H 1 3.81 0.02 . 1 . . . . . . . . 3441 1 523 . 1 1 106 106 ASN H H 1 7.83 0.02 . 1 . . . . . . . . 3441 1 524 . 1 1 106 106 ASN HA H 1 4.47 0.02 . 1 . . . . . . . . 3441 1 525 . 1 1 106 106 ASN HB2 H 1 3.01 0.02 . 2 . . . . . . . . 3441 1 526 . 1 1 106 106 ASN HB3 H 1 2.74 0.02 . 2 . . . . . . . . 3441 1 527 . 1 1 107 107 ALA H H 1 6.72 0.02 . 1 . . . . . . . . 3441 1 528 . 1 1 107 107 ALA HA H 1 3.81 0.02 . 1 . . . . . . . . 3441 1 529 . 1 1 107 107 ALA HB1 H 1 .61 0.02 . 1 . . . . . . . . 3441 1 530 . 1 1 107 107 ALA HB2 H 1 .61 0.02 . 1 . . . . . . . . 3441 1 531 . 1 1 107 107 ALA HB3 H 1 .61 0.02 . 1 . . . . . . . . 3441 1 532 . 1 1 108 108 TRP H H 1 7.86 0.02 . 1 . . . . . . . . 3441 1 533 . 1 1 108 108 TRP HA H 1 4.64 0.02 . 1 . . . . . . . . 3441 1 534 . 1 1 108 108 TRP HB2 H 1 3.32 0.02 . 2 . . . . . . . . 3441 1 535 . 1 1 108 108 TRP HB3 H 1 3.22 0.02 . 2 . . . . . . . . 3441 1 536 . 1 1 108 108 TRP HD1 H 1 7.09 0.02 . 1 . . . . . . . . 3441 1 537 . 1 1 108 108 TRP HE1 H 1 10.04 0.02 . 1 . . . . . . . . 3441 1 538 . 1 1 108 108 TRP HE3 H 1 7.42 0.02 . 1 . . . . . . . . 3441 1 539 . 1 1 108 108 TRP HZ2 H 1 7.9 0.02 . 1 . . . . . . . . 3441 1 540 . 1 1 108 108 TRP HZ3 H 1 6.5 0.02 . 1 . . . . . . . . 3441 1 541 . 1 1 108 108 TRP HH2 H 1 7.4 0.02 . 1 . . . . . . . . 3441 1 542 . 1 1 109 109 VAL H H 1 8.97 0.02 . 1 . . . . . . . . 3441 1 543 . 1 1 109 109 VAL HA H 1 3.53 0.02 . 1 . . . . . . . . 3441 1 544 . 1 1 109 109 VAL HB H 1 2.14 0.02 . 1 . . . . . . . . 3441 1 545 . 1 1 109 109 VAL HG11 H 1 1.07 0.02 . 2 . . . . . . . . 3441 1 546 . 1 1 109 109 VAL HG12 H 1 1.07 0.02 . 2 . . . . . . . . 3441 1 547 . 1 1 109 109 VAL HG13 H 1 1.07 0.02 . 2 . . . . . . . . 3441 1 548 . 1 1 109 109 VAL HG21 H 1 1 0.02 . 2 . . . . . . . . 3441 1 549 . 1 1 109 109 VAL HG22 H 1 1 0.02 . 2 . . . . . . . . 3441 1 550 . 1 1 109 109 VAL HG23 H 1 1 0.02 . 2 . . . . . . . . 3441 1 551 . 1 1 110 110 ALA H H 1 8.08 0.02 . 1 . . . . . . . . 3441 1 552 . 1 1 110 110 ALA HA H 1 4.22 0.02 . 1 . . . . . . . . 3441 1 553 . 1 1 110 110 ALA HB1 H 1 1.3 0.02 . 1 . . . . . . . . 3441 1 554 . 1 1 110 110 ALA HB2 H 1 1.3 0.02 . 1 . . . . . . . . 3441 1 555 . 1 1 110 110 ALA HB3 H 1 1.3 0.02 . 1 . . . . . . . . 3441 1 556 . 1 1 111 111 TRP H H 1 7.18 0.02 . 1 . . . . . . . . 3441 1 557 . 1 1 111 111 TRP HA H 1 3.67 0.02 . 1 . . . . . . . . 3441 1 558 . 1 1 111 111 TRP HB2 H 1 4.01 0.02 . 2 . . . . . . . . 3441 1 559 . 1 1 111 111 TRP HB3 H 1 2.72 0.02 . 2 . . . . . . . . 3441 1 560 . 1 1 111 111 TRP HD1 H 1 6.99 0.02 . 1 . . . . . . . . 3441 1 561 . 1 1 111 111 TRP HE1 H 1 10.32 0.02 . 1 . . . . . . . . 3441 1 562 . 1 1 111 111 TRP HE3 H 1 7.22 0.02 . 1 . . . . . . . . 3441 1 563 . 1 1 111 111 TRP HZ2 H 1 7.46 0.02 . 1 . . . . . . . . 3441 1 564 . 1 1 111 111 TRP HZ3 H 1 7.01 0.02 . 1 . . . . . . . . 3441 1 565 . 1 1 111 111 TRP HH2 H 1 7.349 0.02 . 1 . . . . . . . . 3441 1 566 . 1 1 112 112 ARG H H 1 8.25 0.02 . 1 . . . . . . . . 3441 1 567 . 1 1 112 112 ARG HA H 1 3.37 0.02 . 1 . . . . . . . . 3441 1 568 . 1 1 113 113 ASN H H 1 7.94 0.02 . 1 . . . . . . . . 3441 1 569 . 1 1 113 113 ASN HA H 1 4.5 0.02 . 1 . . . . . . . . 3441 1 570 . 1 1 113 113 ASN HB2 H 1 2.64 0.02 . 1 . . . . . . . . 3441 1 571 . 1 1 113 113 ASN HB3 H 1 2.64 0.02 . 1 . . . . . . . . 3441 1 572 . 1 1 114 114 ARG H H 1 7.61 0.02 . 1 . . . . . . . . 3441 1 573 . 1 1 114 114 ARG HA H 1 4.29 0.02 . 1 . . . . . . . . 3441 1 574 . 1 1 115 115 CYS H H 1 7.29 0.02 . 1 . . . . . . . . 3441 1 575 . 1 1 115 115 CYS HA H 1 4.49 0.02 . 1 . . . . . . . . 3441 1 576 . 1 1 115 115 CYS HB2 H 1 2.58 0.02 . 2 . . . . . . . . 3441 1 577 . 1 1 115 115 CYS HB3 H 1 2.4 0.02 . 2 . . . . . . . . 3441 1 578 . 1 1 116 116 LYS H H 1 7.05 0.02 . 1 . . . . . . . . 3441 1 579 . 1 1 116 116 LYS HA H 1 3.38 0.02 . 1 . . . . . . . . 3441 1 580 . 1 1 117 117 GLY H H 1 8.67 0.02 . 1 . . . . . . . . 3441 1 581 . 1 1 117 117 GLY HA2 H 1 4.09 0.02 . 2 . . . . . . . . 3441 1 582 . 1 1 117 117 GLY HA3 H 1 3.78 0.02 . 2 . . . . . . . . 3441 1 583 . 1 1 118 118 THR H H 1 7.6 0.02 . 1 . . . . . . . . 3441 1 584 . 1 1 118 118 THR HA H 1 4.71 0.02 . 1 . . . . . . . . 3441 1 585 . 1 1 118 118 THR HB H 1 4.25 0.02 . 1 . . . . . . . . 3441 1 586 . 1 1 118 118 THR HG21 H 1 .92 0.02 . 1 . . . . . . . . 3441 1 587 . 1 1 118 118 THR HG22 H 1 .92 0.02 . 1 . . . . . . . . 3441 1 588 . 1 1 118 118 THR HG23 H 1 .92 0.02 . 1 . . . . . . . . 3441 1 589 . 1 1 119 119 ASP H H 1 8.62 0.02 . 1 . . . . . . . . 3441 1 590 . 1 1 119 119 ASP HA H 1 4.97 0.02 . 1 . . . . . . . . 3441 1 591 . 1 1 119 119 ASP HB2 H 1 2.93 0.02 . 1 . . . . . . . . 3441 1 592 . 1 1 119 119 ASP HB3 H 1 2.93 0.02 . 1 . . . . . . . . 3441 1 593 . 1 1 120 120 VAL H H 1 8.08 0.02 . 1 . . . . . . . . 3441 1 594 . 1 1 120 120 VAL HA H 1 4.39 0.02 . 1 . . . . . . . . 3441 1 595 . 1 1 120 120 VAL HB H 1 2.14 0.02 . 1 . . . . . . . . 3441 1 596 . 1 1 120 120 VAL HG11 H 1 1.07 0.02 . 2 . . . . . . . . 3441 1 597 . 1 1 120 120 VAL HG12 H 1 1.07 0.02 . 2 . . . . . . . . 3441 1 598 . 1 1 120 120 VAL HG13 H 1 1.07 0.02 . 2 . . . . . . . . 3441 1 599 . 1 1 120 120 VAL HG21 H 1 .96 0.02 . 2 . . . . . . . . 3441 1 600 . 1 1 120 120 VAL HG22 H 1 .96 0.02 . 2 . . . . . . . . 3441 1 601 . 1 1 120 120 VAL HG23 H 1 .96 0.02 . 2 . . . . . . . . 3441 1 602 . 1 1 121 121 HIS H H 1 8.39 0.02 . 1 . . . . . . . . 3441 1 603 . 1 1 121 121 HIS HA H 1 4.5 0.02 . 1 . . . . . . . . 3441 1 604 . 1 1 121 121 HIS HB2 H 1 3.42 0.02 . 2 . . . . . . . . 3441 1 605 . 1 1 121 121 HIS HB3 H 1 3.32 0.02 . 2 . . . . . . . . 3441 1 606 . 1 1 121 121 HIS HD1 H 1 8.65 0.02 . 1 . . . . . . . . 3441 1 607 . 1 1 121 121 HIS HD2 H 1 7.46 0.02 . 1 . . . . . . . . 3441 1 608 . 1 1 122 122 ALA H H 1 7.62 0.02 . 1 . . . . . . . . 3441 1 609 . 1 1 122 122 ALA HA H 1 3.78 0.02 . 1 . . . . . . . . 3441 1 610 . 1 1 122 122 ALA HB1 H 1 1.12 0.02 . 1 . . . . . . . . 3441 1 611 . 1 1 122 122 ALA HB2 H 1 1.12 0.02 . 1 . . . . . . . . 3441 1 612 . 1 1 122 122 ALA HB3 H 1 1.12 0.02 . 1 . . . . . . . . 3441 1 613 . 1 1 123 123 TRP H H 1 7.42 0.02 . 1 . . . . . . . . 3441 1 614 . 1 1 123 123 TRP HA H 1 4.08 0.02 . 1 . . . . . . . . 3441 1 615 . 1 1 123 123 TRP HB2 H 1 3.32 0.02 . 1 . . . . . . . . 3441 1 616 . 1 1 123 123 TRP HB3 H 1 3.32 0.02 . 1 . . . . . . . . 3441 1 617 . 1 1 123 123 TRP HD1 H 1 7.41 0.02 . 1 . . . . . . . . 3441 1 618 . 1 1 123 123 TRP HE1 H 1 10.81 0.02 . 1 . . . . . . . . 3441 1 619 . 1 1 123 123 TRP HE3 H 1 7.47 0.02 . 1 . . . . . . . . 3441 1 620 . 1 1 123 123 TRP HZ2 H 1 7.75 0.02 . 1 . . . . . . . . 3441 1 621 . 1 1 123 123 TRP HZ3 H 1 7.12 0.02 . 1 . . . . . . . . 3441 1 622 . 1 1 123 123 TRP HH2 H 1 7.09 0.02 . 1 . . . . . . . . 3441 1 623 . 1 1 124 124 ILE H H 1 7.44 0.02 . 1 . . . . . . . . 3441 1 624 . 1 1 124 124 ILE HA H 1 4.69 0.02 . 1 . . . . . . . . 3441 1 625 . 1 1 124 124 ILE HB H 1 2.14 0.02 . 1 . . . . . . . . 3441 1 626 . 1 1 124 124 ILE HG12 H 1 1.24 0.02 . 2 . . . . . . . . 3441 1 627 . 1 1 124 124 ILE HG13 H 1 1.12 0.02 . 2 . . . . . . . . 3441 1 628 . 1 1 124 124 ILE HG21 H 1 .77 0.02 . 1 . . . . . . . . 3441 1 629 . 1 1 124 124 ILE HG22 H 1 .77 0.02 . 1 . . . . . . . . 3441 1 630 . 1 1 124 124 ILE HG23 H 1 .77 0.02 . 1 . . . . . . . . 3441 1 631 . 1 1 124 124 ILE HD11 H 1 .88 0.02 . 1 . . . . . . . . 3441 1 632 . 1 1 124 124 ILE HD12 H 1 .88 0.02 . 1 . . . . . . . . 3441 1 633 . 1 1 124 124 ILE HD13 H 1 .88 0.02 . 1 . . . . . . . . 3441 1 634 . 1 1 125 125 ARG H H 1 7.2 0.02 . 1 . . . . . . . . 3441 1 635 . 1 1 125 125 ARG HA H 1 4.07 0.02 . 1 . . . . . . . . 3441 1 636 . 1 1 126 126 GLY H H 1 9.1 0.02 . 1 . . . . . . . . 3441 1 637 . 1 1 126 126 GLY HA2 H 1 4.27 0.02 . 2 . . . . . . . . 3441 1 638 . 1 1 126 126 GLY HA3 H 1 3.73 0.02 . 2 . . . . . . . . 3441 1 639 . 1 1 127 127 CYS H H 1 7.41 0.02 . 1 . . . . . . . . 3441 1 640 . 1 1 127 127 CYS HA H 1 4.87 0.02 . 1 . . . . . . . . 3441 1 641 . 1 1 127 127 CYS HB2 H 1 3.07 0.02 . 2 . . . . . . . . 3441 1 642 . 1 1 127 127 CYS HB3 H 1 2.57 0.02 . 2 . . . . . . . . 3441 1 643 . 1 1 128 128 ARG H H 1 8.9 0.02 . 1 . . . . . . . . 3441 1 644 . 1 1 128 128 ARG HA H 1 4.32 0.02 . 1 . . . . . . . . 3441 1 645 . 1 1 128 128 ARG HB2 H 1 1.84 0.02 . 2 . . . . . . . . 3441 1 646 . 1 1 128 128 ARG HB3 H 1 1.77 0.02 . 2 . . . . . . . . 3441 1 647 . 1 1 129 129 LEU H H 1 7.85 0.02 . 1 . . . . . . . . 3441 1 648 . 1 1 129 129 LEU HA H 1 4.25 0.02 . 1 . . . . . . . . 3441 1 649 . 1 1 129 129 LEU HB2 H 1 1.6 0.02 . 1 . . . . . . . . 3441 1 650 . 1 1 129 129 LEU HB3 H 1 1.6 0.02 . 1 . . . . . . . . 3441 1 651 . 1 1 129 129 LEU HG H 1 1.36 0.02 . 1 . . . . . . . . 3441 1 652 . 1 1 129 129 LEU HD11 H 1 .8 0.02 . 2 . . . . . . . . 3441 1 653 . 1 1 129 129 LEU HD12 H 1 .8 0.02 . 2 . . . . . . . . 3441 1 654 . 1 1 129 129 LEU HD13 H 1 .8 0.02 . 2 . . . . . . . . 3441 1 655 . 1 1 129 129 LEU HD21 H 1 .7 0.02 . 2 . . . . . . . . 3441 1 656 . 1 1 129 129 LEU HD22 H 1 .7 0.02 . 2 . . . . . . . . 3441 1 657 . 1 1 129 129 LEU HD23 H 1 .7 0.02 . 2 . . . . . . . . 3441 1 stop_ save_