data_5903 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5903 _Entry.Title ; 1H,13C and 15N backbone resonance assignment of the Hyaluronan-binding domain of CD44 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-08-15 _Entry.Accession_date 2003-08-15 _Entry.Last_release_date 2003-08-15 _Entry.Original_release_date 2003-08-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Mitsuhiro Takeda . . . . 5903 2 Hiroaki Terasawa . . . . 5903 3 Masayosh Sakakura . . . . 5903 4 Yoshiki Yamaguchi . . . . 5903 5 Masahiro Kajiwara . . . . 5903 6 Hiroto Kawashima . . . . 5903 7 Masayuki Miyasaka . . . . 5903 8 Ichio Shimada . . . . 5903 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5903 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 284 5903 '15N chemical shifts' 144 5903 '1H chemical shifts' 144 5903 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-04-07 . original BMRB . 5903 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2I83 'BMRB Entry Tracking System' 5903 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5903 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15017146 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N backbone resonance assignments of the Hyaluronan-binding domain of CD44 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _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 97 _Citation.Page_last 98 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mitsuhiro Takeda . . . . 5903 1 2 Hiroaki Terasawa . . . . 5903 1 3 Masayoshi Sakakura . . . . 5903 1 4 Yoshiki Yamaguchi . . . . 5903 1 5 Masahiro Kajiwara . . . . 5903 1 6 Hiroto Kawashima . . . . 5903 1 7 Masayuki Miyasaka . . . . 5903 1 8 Ichio Shimada . . . . 5903 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CD44 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CD44 _Assembly.Entry_ID 5903 _Assembly.ID 1 _Assembly.Name 'CD44 hyaluronan-binding domain' _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 'all disulfide bound' _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 5903 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 'CD44 hyaluronan binding domain' 1 $CD44_hyaluronan-binding_domain . . . native . . . . . 5903 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 10 10 SG . 1 . 1 CYS 111 111 SG . . . . . . . . . . . . 5903 1 2 disulfide single . 1 . 1 CYS 35 35 SG . 1 . 1 CYS 100 100 SG . . . . . . . . . . . . 5903 1 3 disulfide single . 1 . 1 CYS 59 59 SG . 1 . 1 CYS 79 79 SG . . . . . . . . . . . . 5903 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID CD44 abbreviation 5903 1 'CD44 hyaluronan-binding domain' system 5903 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CD44_hyaluronan-binding_domain _Entity.Sf_category entity _Entity.Sf_framecode CD44_hyaluronan-binding_domain _Entity.Entry_ID 5903 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CD44 hyaluronan-binding domain' _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 ; MAQIDLNITCRFAGVFHVEK NGRYSISRTEAADLCKAFNS TLPTMAQMEKALSIGFETCR YGFIEGHVVIPRIHPNSICA ANNTGVYILTSNTSQYDTYC FNASAPPEEDCTSVTDLPNA FDGPITITIVNRDGTRYVQK GEYRTNPEDIYPSNPTDDDV ; _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 160 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CD44 abbreviation 5903 1 'CD44 hyaluronan-binding domain' common 5903 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 -2 MET . 5903 1 2 -1 ALA . 5903 1 3 21 GLN . 5903 1 4 22 ILE . 5903 1 5 23 ASP . 5903 1 6 24 LEU . 5903 1 7 25 ASN . 5903 1 8 26 ILE . 5903 1 9 27 THR . 5903 1 10 28 CYS . 5903 1 11 29 ARG . 5903 1 12 30 PHE . 5903 1 13 31 ALA . 5903 1 14 32 GLY . 5903 1 15 33 VAL . 5903 1 16 34 PHE . 5903 1 17 35 HIS . 5903 1 18 36 VAL . 5903 1 19 37 GLU . 5903 1 20 38 LYS . 5903 1 21 39 ASN . 5903 1 22 40 GLY . 5903 1 23 41 ARG . 5903 1 24 42 TYR . 5903 1 25 43 SER . 5903 1 26 44 ILE . 5903 1 27 45 SER . 5903 1 28 46 ARG . 5903 1 29 47 THR . 5903 1 30 48 GLU . 5903 1 31 49 ALA . 5903 1 32 50 ALA . 5903 1 33 51 ASP . 5903 1 34 52 LEU . 5903 1 35 53 CYS . 5903 1 36 54 LYS . 5903 1 37 55 ALA . 5903 1 38 56 PHE . 5903 1 39 57 ASN . 5903 1 40 58 SER . 5903 1 41 59 THR . 5903 1 42 60 LEU . 5903 1 43 61 PRO . 5903 1 44 62 THR . 5903 1 45 63 MET . 5903 1 46 64 ALA . 5903 1 47 65 GLN . 5903 1 48 66 MET . 5903 1 49 67 GLU . 5903 1 50 68 LYS . 5903 1 51 69 ALA . 5903 1 52 70 LEU . 5903 1 53 71 SER . 5903 1 54 72 ILE . 5903 1 55 73 GLY . 5903 1 56 74 PHE . 5903 1 57 75 GLU . 5903 1 58 76 THR . 5903 1 59 77 CYS . 5903 1 60 78 ARG . 5903 1 61 79 TYR . 5903 1 62 80 GLY . 5903 1 63 81 PHE . 5903 1 64 82 ILE . 5903 1 65 83 GLU . 5903 1 66 84 GLY . 5903 1 67 85 HIS . 5903 1 68 86 VAL . 5903 1 69 87 VAL . 5903 1 70 88 ILE . 5903 1 71 89 PRO . 5903 1 72 90 ARG . 5903 1 73 91 ILE . 5903 1 74 92 HIS . 5903 1 75 93 PRO . 5903 1 76 94 ASN . 5903 1 77 95 SER . 5903 1 78 96 ILE . 5903 1 79 97 CYS . 5903 1 80 98 ALA . 5903 1 81 99 ALA . 5903 1 82 100 ASN . 5903 1 83 101 ASN . 5903 1 84 102 THR . 5903 1 85 103 GLY . 5903 1 86 104 VAL . 5903 1 87 105 TYR . 5903 1 88 106 ILE . 5903 1 89 107 LEU . 5903 1 90 108 THR . 5903 1 91 109 SER . 5903 1 92 110 ASN . 5903 1 93 111 THR . 5903 1 94 112 SER . 5903 1 95 113 GLN . 5903 1 96 114 TYR . 5903 1 97 115 ASP . 5903 1 98 116 THR . 5903 1 99 117 TYR . 5903 1 100 118 CYS . 5903 1 101 119 PHE . 5903 1 102 120 ASN . 5903 1 103 121 ALA . 5903 1 104 122 SER . 5903 1 105 123 ALA . 5903 1 106 124 PRO . 5903 1 107 125 PRO . 5903 1 108 126 GLU . 5903 1 109 127 GLU . 5903 1 110 128 ASP . 5903 1 111 129 CYS . 5903 1 112 130 THR . 5903 1 113 131 SER . 5903 1 114 132 VAL . 5903 1 115 133 THR . 5903 1 116 134 ASP . 5903 1 117 135 LEU . 5903 1 118 136 PRO . 5903 1 119 137 ASN . 5903 1 120 138 ALA . 5903 1 121 139 PHE . 5903 1 122 140 ASP . 5903 1 123 141 GLY . 5903 1 124 142 PRO . 5903 1 125 143 ILE . 5903 1 126 144 THR . 5903 1 127 145 ILE . 5903 1 128 146 THR . 5903 1 129 147 ILE . 5903 1 130 148 VAL . 5903 1 131 149 ASN . 5903 1 132 150 ARG . 5903 1 133 151 ASP . 5903 1 134 152 GLY . 5903 1 135 153 THR . 5903 1 136 154 ARG . 5903 1 137 155 TYR . 5903 1 138 156 VAL . 5903 1 139 157 GLN . 5903 1 140 158 LYS . 5903 1 141 159 GLY . 5903 1 142 160 GLU . 5903 1 143 161 TYR . 5903 1 144 162 ARG . 5903 1 145 163 THR . 5903 1 146 164 ASN . 5903 1 147 165 PRO . 5903 1 148 166 GLU . 5903 1 149 167 ASP . 5903 1 150 168 ILE . 5903 1 151 169 TYR . 5903 1 152 170 PRO . 5903 1 153 171 SER . 5903 1 154 172 ASN . 5903 1 155 173 PRO . 5903 1 156 174 THR . 5903 1 157 175 ASP . 5903 1 158 176 ASP . 5903 1 159 177 ASP . 5903 1 160 178 VAL . 5903 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5903 1 . ALA 2 2 5903 1 . GLN 3 3 5903 1 . ILE 4 4 5903 1 . ASP 5 5 5903 1 . LEU 6 6 5903 1 . ASN 7 7 5903 1 . ILE 8 8 5903 1 . THR 9 9 5903 1 . CYS 10 10 5903 1 . ARG 11 11 5903 1 . PHE 12 12 5903 1 . ALA 13 13 5903 1 . GLY 14 14 5903 1 . VAL 15 15 5903 1 . PHE 16 16 5903 1 . HIS 17 17 5903 1 . VAL 18 18 5903 1 . GLU 19 19 5903 1 . LYS 20 20 5903 1 . ASN 21 21 5903 1 . GLY 22 22 5903 1 . ARG 23 23 5903 1 . TYR 24 24 5903 1 . SER 25 25 5903 1 . ILE 26 26 5903 1 . SER 27 27 5903 1 . ARG 28 28 5903 1 . THR 29 29 5903 1 . GLU 30 30 5903 1 . ALA 31 31 5903 1 . ALA 32 32 5903 1 . ASP 33 33 5903 1 . LEU 34 34 5903 1 . CYS 35 35 5903 1 . LYS 36 36 5903 1 . ALA 37 37 5903 1 . PHE 38 38 5903 1 . ASN 39 39 5903 1 . SER 40 40 5903 1 . THR 41 41 5903 1 . LEU 42 42 5903 1 . PRO 43 43 5903 1 . THR 44 44 5903 1 . MET 45 45 5903 1 . ALA 46 46 5903 1 . GLN 47 47 5903 1 . MET 48 48 5903 1 . GLU 49 49 5903 1 . LYS 50 50 5903 1 . ALA 51 51 5903 1 . LEU 52 52 5903 1 . SER 53 53 5903 1 . ILE 54 54 5903 1 . GLY 55 55 5903 1 . PHE 56 56 5903 1 . GLU 57 57 5903 1 . THR 58 58 5903 1 . CYS 59 59 5903 1 . ARG 60 60 5903 1 . TYR 61 61 5903 1 . GLY 62 62 5903 1 . PHE 63 63 5903 1 . ILE 64 64 5903 1 . GLU 65 65 5903 1 . GLY 66 66 5903 1 . HIS 67 67 5903 1 . VAL 68 68 5903 1 . VAL 69 69 5903 1 . ILE 70 70 5903 1 . PRO 71 71 5903 1 . ARG 72 72 5903 1 . ILE 73 73 5903 1 . HIS 74 74 5903 1 . PRO 75 75 5903 1 . ASN 76 76 5903 1 . SER 77 77 5903 1 . ILE 78 78 5903 1 . CYS 79 79 5903 1 . ALA 80 80 5903 1 . ALA 81 81 5903 1 . ASN 82 82 5903 1 . ASN 83 83 5903 1 . THR 84 84 5903 1 . GLY 85 85 5903 1 . VAL 86 86 5903 1 . TYR 87 87 5903 1 . ILE 88 88 5903 1 . LEU 89 89 5903 1 . THR 90 90 5903 1 . SER 91 91 5903 1 . ASN 92 92 5903 1 . THR 93 93 5903 1 . SER 94 94 5903 1 . GLN 95 95 5903 1 . TYR 96 96 5903 1 . ASP 97 97 5903 1 . THR 98 98 5903 1 . TYR 99 99 5903 1 . CYS 100 100 5903 1 . PHE 101 101 5903 1 . ASN 102 102 5903 1 . ALA 103 103 5903 1 . SER 104 104 5903 1 . ALA 105 105 5903 1 . PRO 106 106 5903 1 . PRO 107 107 5903 1 . GLU 108 108 5903 1 . GLU 109 109 5903 1 . ASP 110 110 5903 1 . CYS 111 111 5903 1 . THR 112 112 5903 1 . SER 113 113 5903 1 . VAL 114 114 5903 1 . THR 115 115 5903 1 . ASP 116 116 5903 1 . LEU 117 117 5903 1 . PRO 118 118 5903 1 . ASN 119 119 5903 1 . ALA 120 120 5903 1 . PHE 121 121 5903 1 . ASP 122 122 5903 1 . GLY 123 123 5903 1 . PRO 124 124 5903 1 . ILE 125 125 5903 1 . THR 126 126 5903 1 . ILE 127 127 5903 1 . THR 128 128 5903 1 . ILE 129 129 5903 1 . VAL 130 130 5903 1 . ASN 131 131 5903 1 . ARG 132 132 5903 1 . ASP 133 133 5903 1 . GLY 134 134 5903 1 . THR 135 135 5903 1 . ARG 136 136 5903 1 . TYR 137 137 5903 1 . VAL 138 138 5903 1 . GLN 139 139 5903 1 . LYS 140 140 5903 1 . GLY 141 141 5903 1 . GLU 142 142 5903 1 . TYR 143 143 5903 1 . ARG 144 144 5903 1 . THR 145 145 5903 1 . ASN 146 146 5903 1 . PRO 147 147 5903 1 . GLU 148 148 5903 1 . ASP 149 149 5903 1 . ILE 150 150 5903 1 . TYR 151 151 5903 1 . PRO 152 152 5903 1 . SER 153 153 5903 1 . ASN 154 154 5903 1 . PRO 155 155 5903 1 . THR 156 156 5903 1 . ASP 157 157 5903 1 . ASP 158 158 5903 1 . ASP 159 159 5903 1 . VAL 160 160 5903 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 5903 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CD44_hyaluronan-binding_domain . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 5903 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 5903 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CD44_hyaluronan-binding_domain . 'recombinant technology' . . . . . . . . . . . . . . . . 5903 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 5903 _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 'CD44 hyaluronan-binding domain' '[U-98% 13C; U-98% 15N]' . . 1 $CD44_hyaluronan-binding_domain . . 2.0 . . mM . . . . 5903 1 stop_ save_ ####################### # Sample conditions # ####################### save_EX-condition _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode EX-condition _Sample_condition_list.Entry_ID 5903 _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 6.7 0.1 n/a 5903 1 temperature 298 0.1 K 5903 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5903 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5903 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker Avance . 600 . . . 5903 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 5903 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5903 1 2 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5903 1 3 '3D HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5903 1 4 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5903 1 5 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5903 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5903 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449500 . . . . . 5903 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal . 1.0 . . . . . 5903 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329051 . . . . . 5903 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5903 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $EX-condition _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N HSQC' 1 $Sample_1 . 5903 1 2 '3D HNCA' 1 $Sample_1 . 5903 1 3 '3D HN(CO)CA' 1 $Sample_1 . 5903 1 4 '3D HNCACB' 1 $Sample_1 . 5903 1 5 '3D CBCA(CO)NH' 1 $Sample_1 . 5903 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLN C C 13 174.8 0.2 . 1 . . . . . . . . . 5903 1 2 . 1 1 4 4 ILE H H 1 8.67 0.01 . 1 . . . . . . . . . 5903 1 3 . 1 1 4 4 ILE C C 13 173.1 0.2 . 1 . . . . . . . . . 5903 1 4 . 1 1 4 4 ILE CA C 13 61.6 0.4 . 1 . . . . . . . . . 5903 1 5 . 1 1 4 4 ILE N N 15 124.5 0.7 . 1 . . . . . . . . . 5903 1 6 . 1 1 5 5 ASP H H 1 8.76 0.01 . 1 . . . . . . . . . 5903 1 7 . 1 1 5 5 ASP C C 13 174.7 0.2 . 1 . . . . . . . . . 5903 1 8 . 1 1 5 5 ASP CA C 13 52.7 0.4 . 1 . . . . . . . . . 5903 1 9 . 1 1 5 5 ASP N N 15 128.9 0.7 . 1 . . . . . . . . . 5903 1 10 . 1 1 6 6 LEU H H 1 9.46 0.01 . 1 . . . . . . . . . 5903 1 11 . 1 1 6 6 LEU C C 13 174.5 0.2 . 1 . . . . . . . . . 5903 1 12 . 1 1 6 6 LEU CA C 13 52.6 0.4 . 1 . . . . . . . . . 5903 1 13 . 1 1 6 6 LEU N N 15 123.9 0.7 . 1 . . . . . . . . . 5903 1 14 . 1 1 7 7 ASN H H 1 8.97 0.01 . 1 . . . . . . . . . 5903 1 15 . 1 1 7 7 ASN C C 13 173.8 0.2 . 1 . . . . . . . . . 5903 1 16 . 1 1 7 7 ASN CA C 13 52.7 0.4 . 1 . . . . . . . . . 5903 1 17 . 1 1 7 7 ASN N N 15 124 0.7 . 1 . . . . . . . . . 5903 1 18 . 1 1 8 8 ILE H H 1 8.34 0.01 . 1 . . . . . . . . . 5903 1 19 . 1 1 8 8 ILE C C 13 176.2 0.2 . 1 . . . . . . . . . 5903 1 20 . 1 1 8 8 ILE CA C 13 59.2 0.4 . 1 . . . . . . . . . 5903 1 21 . 1 1 8 8 ILE N N 15 120.8 0.7 . 1 . . . . . . . . . 5903 1 22 . 1 1 9 9 THR H H 1 7.99 0.01 . 1 . . . . . . . . . 5903 1 23 . 1 1 9 9 THR C C 13 176.7 0.2 . 1 . . . . . . . . . 5903 1 24 . 1 1 9 9 THR CA C 13 61.6 0.4 . 1 . . . . . . . . . 5903 1 25 . 1 1 9 9 THR N N 15 112.1 0.7 . 1 . . . . . . . . . 5903 1 26 . 1 1 10 10 CYS H H 1 8.97 0.01 . 1 . . . . . . . . . 5903 1 27 . 1 1 10 10 CYS C C 13 172.5 0.2 . 1 . . . . . . . . . 5903 1 28 . 1 1 10 10 CYS CA C 13 59.3 0.4 . 1 . . . . . . . . . 5903 1 29 . 1 1 10 10 CYS N N 15 114.8 0.7 . 1 . . . . . . . . . 5903 1 30 . 1 1 11 11 ARG H H 1 8.53 0.01 . 1 . . . . . . . . . 5903 1 31 . 1 1 11 11 ARG C C 13 175.9 0.2 . 1 . . . . . . . . . 5903 1 32 . 1 1 11 11 ARG CA C 13 55.2 0.4 . 1 . . . . . . . . . 5903 1 33 . 1 1 11 11 ARG N N 15 121.4 0.7 . 1 . . . . . . . . . 5903 1 34 . 1 1 12 12 PHE H H 1 9.81 0.01 . 1 . . . . . . . . . 5903 1 35 . 1 1 12 12 PHE C C 13 174.1 0.2 . 1 . . . . . . . . . 5903 1 36 . 1 1 12 12 PHE CA C 13 56.9 0.4 . 1 . . . . . . . . . 5903 1 37 . 1 1 12 12 PHE N N 15 123.9 0.7 . 1 . . . . . . . . . 5903 1 38 . 1 1 13 13 ALA H H 1 8.04 0.01 . 1 . . . . . . . . . 5903 1 39 . 1 1 13 13 ALA C C 13 177.1 0.2 . 1 . . . . . . . . . 5903 1 40 . 1 1 13 13 ALA CA C 13 53.2 0.4 . 1 . . . . . . . . . 5903 1 41 . 1 1 13 13 ALA N N 15 128.4 0.7 . 1 . . . . . . . . . 5903 1 42 . 1 1 14 14 GLY H H 1 8.86 0.01 . 1 . . . . . . . . . 5903 1 43 . 1 1 14 14 GLY C C 13 173.9 0.2 . 1 . . . . . . . . . 5903 1 44 . 1 1 14 14 GLY CA C 13 46.5 0.4 . 1 . . . . . . . . . 5903 1 45 . 1 1 14 14 GLY N N 15 102.6 0.7 . 1 . . . . . . . . . 5903 1 46 . 1 1 15 15 VAL H H 1 7.92 0.01 . 1 . . . . . . . . . 5903 1 47 . 1 1 15 15 VAL C C 13 175.1 0.2 . 1 . . . . . . . . . 5903 1 48 . 1 1 15 15 VAL CA C 13 62.0 0.4 . 1 . . . . . . . . . 5903 1 49 . 1 1 15 15 VAL N N 15 123.1 0.7 . 1 . . . . . . . . . 5903 1 50 . 1 1 16 16 PHE H H 1 9.18 0.01 . 1 . . . . . . . . . 5903 1 51 . 1 1 16 16 PHE C C 13 172.1 0.2 . 1 . . . . . . . . . 5903 1 52 . 1 1 16 16 PHE CA C 13 54.5 0.4 . 1 . . . . . . . . . 5903 1 53 . 1 1 16 16 PHE N N 15 120.9 0.7 . 1 . . . . . . . . . 5903 1 54 . 1 1 17 17 HIS H H 1 8.92 0.01 . 1 . . . . . . . . . 5903 1 55 . 1 1 17 17 HIS C C 13 172.9 0.2 . 1 . . . . . . . . . 5903 1 56 . 1 1 17 17 HIS CA C 13 55.1 0.4 . 1 . . . . . . . . . 5903 1 57 . 1 1 17 17 HIS N N 15 122.3 0.7 . 1 . . . . . . . . . 5903 1 58 . 1 1 18 18 VAL H H 1 8.39 0.01 . 1 . . . . . . . . . 5903 1 59 . 1 1 18 18 VAL C C 13 172.4 0.2 . 1 . . . . . . . . . 5903 1 60 . 1 1 18 18 VAL CA C 13 61.0 0.4 . 1 . . . . . . . . . 5903 1 61 . 1 1 18 18 VAL N N 15 126.2 0.7 . 1 . . . . . . . . . 5903 1 62 . 1 1 19 19 GLU H H 1 8.11 0.01 . 1 . . . . . . . . . 5903 1 63 . 1 1 19 19 GLU C C 13 174.7 0.2 . 1 . . . . . . . . . 5903 1 64 . 1 1 19 19 GLU CA C 13 53.8 0.4 . 1 . . . . . . . . . 5903 1 65 . 1 1 19 19 GLU N N 15 126.2 0.7 . 1 . . . . . . . . . 5903 1 66 . 1 1 20 20 LYS H H 1 9.91 0.01 . 1 . . . . . . . . . 5903 1 67 . 1 1 20 20 LYS C C 13 175.2 0.2 . 1 . . . . . . . . . 5903 1 68 . 1 1 20 20 LYS CA C 13 54.6 0.4 . 1 . . . . . . . . . 5903 1 69 . 1 1 20 20 LYS N N 15 134.7 0.7 . 1 . . . . . . . . . 5903 1 70 . 1 1 21 21 ASN H H 1 9.75 0.01 . 1 . . . . . . . . . 5903 1 71 . 1 1 21 21 ASN C C 13 175.3 0.2 . 1 . . . . . . . . . 5903 1 72 . 1 1 21 21 ASN CA C 13 54.3 0.4 . 1 . . . . . . . . . 5903 1 73 . 1 1 21 21 ASN N N 15 122.9 0.7 . 1 . . . . . . . . . 5903 1 74 . 1 1 22 22 GLY H H 1 8.95 0.01 . 1 . . . . . . . . . 5903 1 75 . 1 1 22 22 GLY C C 13 173.6 0.2 . 1 . . . . . . . . . 5903 1 76 . 1 1 22 22 GLY CA C 13 46.5 0.4 . 1 . . . . . . . . . 5903 1 77 . 1 1 22 22 GLY N N 15 105.5 0.7 . 1 . . . . . . . . . 5903 1 78 . 1 1 23 23 ARG H H 1 7.96 0.01 . 1 . . . . . . . . . 5903 1 79 . 1 1 23 23 ARG C C 13 175.4 0.2 . 1 . . . . . . . . . 5903 1 80 . 1 1 23 23 ARG CA C 13 54.5 0.4 . 1 . . . . . . . . . 5903 1 81 . 1 1 23 23 ARG N N 15 116.8 0.7 . 1 . . . . . . . . . 5903 1 82 . 1 1 24 24 TYR H H 1 8.48 0.01 . 1 . . . . . . . . . 5903 1 83 . 1 1 24 24 TYR C C 13 177.5 0.2 . 1 . . . . . . . . . 5903 1 84 . 1 1 24 24 TYR CA C 13 58.4 0.4 . 1 . . . . . . . . . 5903 1 85 . 1 1 24 24 TYR N N 15 122.4 0.7 . 1 . . . . . . . . . 5903 1 86 . 1 1 25 25 SER H H 1 8.02 0.01 . 1 . . . . . . . . . 5903 1 87 . 1 1 25 25 SER C C 13 172.8 0.2 . 1 . . . . . . . . . 5903 1 88 . 1 1 25 25 SER CA C 13 59 0.4 . 1 . . . . . . . . . 5903 1 89 . 1 1 25 25 SER N N 15 119 0.7 . 1 . . . . . . . . . 5903 1 90 . 1 1 26 26 ILE H H 1 9.35 0.01 . 1 . . . . . . . . . 5903 1 91 . 1 1 26 26 ILE C C 13 174.9 0.2 . 1 . . . . . . . . . 5903 1 92 . 1 1 26 26 ILE CA C 13 62 0.4 . 1 . . . . . . . . . 5903 1 93 . 1 1 26 26 ILE N N 15 126.2 0.7 . 1 . . . . . . . . . 5903 1 94 . 1 1 27 27 SER H H 1 8.18 0.01 . 1 . . . . . . . . . 5903 1 95 . 1 1 27 27 SER C C 13 174.5 0.2 . 1 . . . . . . . . . 5903 1 96 . 1 1 27 27 SER CA C 13 56.9 0.4 . 1 . . . . . . . . . 5903 1 97 . 1 1 27 27 SER N N 15 123.9 0.7 . 1 . . . . . . . . . 5903 1 98 . 1 1 28 28 ARG H H 1 9.02 0.01 . 1 . . . . . . . . . 5903 1 99 . 1 1 28 28 ARG C C 13 179.2 0.2 . 1 . . . . . . . . . 5903 1 100 . 1 1 28 28 ARG CA C 13 59.7 0.4 . 1 . . . . . . . . . 5903 1 101 . 1 1 28 28 ARG N N 15 121.8 0.7 . 1 . . . . . . . . . 5903 1 102 . 1 1 29 29 THR H H 1 7.76 0.01 . 1 . . . . . . . . . 5903 1 103 . 1 1 29 29 THR C C 13 177.5 0.2 . 1 . . . . . . . . . 5903 1 104 . 1 1 29 29 THR CA C 13 63.9 0.4 . 1 . . . . . . . . . 5903 1 105 . 1 1 29 29 THR N N 15 107.7 0.7 . 1 . . . . . . . . . 5903 1 106 . 1 1 30 30 GLU H H 1 8.08 0.01 . 1 . . . . . . . . . 5903 1 107 . 1 1 30 30 GLU C C 13 177.6 0.2 . 1 . . . . . . . . . 5903 1 108 . 1 1 30 30 GLU CA C 13 59.7 0.4 . 1 . . . . . . . . . 5903 1 109 . 1 1 30 30 GLU N N 15 127.3 0.7 . 1 . . . . . . . . . 5903 1 110 . 1 1 31 31 ALA H H 1 8.8 0.01 . 1 . . . . . . . . . 5903 1 111 . 1 1 31 31 ALA C C 13 178.2 0.2 . 1 . . . . . . . . . 5903 1 112 . 1 1 31 31 ALA CA C 13 56.1 0.4 . 1 . . . . . . . . . 5903 1 113 . 1 1 31 31 ALA N N 15 124.1 0.7 . 1 . . . . . . . . . 5903 1 114 . 1 1 32 32 ALA H H 1 7.05 0.01 . 1 . . . . . . . . . 5903 1 115 . 1 1 32 32 ALA C C 13 180.9 0.2 . 1 . . . . . . . . . 5903 1 116 . 1 1 32 32 ALA CA C 13 55.3 0.4 . 1 . . . . . . . . . 5903 1 117 . 1 1 32 32 ALA N N 15 116.9 0.7 . 1 . . . . . . . . . 5903 1 118 . 1 1 33 33 ASP H H 1 7.32 0.01 . 1 . . . . . . . . . 5903 1 119 . 1 1 33 33 ASP C C 13 178.9 0.2 . 1 . . . . . . . . . 5903 1 120 . 1 1 33 33 ASP CA C 13 57.3 0.4 . 1 . . . . . . . . . 5903 1 121 . 1 1 33 33 ASP N N 15 120.6 0.7 . 1 . . . . . . . . . 5903 1 122 . 1 1 34 34 LEU H H 1 9.53 0.01 . 1 . . . . . . . . . 5903 1 123 . 1 1 34 34 LEU C C 13 178.7 0.2 . 1 . . . . . . . . . 5903 1 124 . 1 1 34 34 LEU CA C 13 57.7 0.4 . 1 . . . . . . . . . 5903 1 125 . 1 1 34 34 LEU N N 15 127.3 0.7 . 1 . . . . . . . . . 5903 1 126 . 1 1 35 35 CYS H H 1 8.66 0.01 . 1 . . . . . . . . . 5903 1 127 . 1 1 35 35 CYS C C 13 179.1 0.2 . 1 . . . . . . . . . 5903 1 128 . 1 1 35 35 CYS CA C 13 56.6 0.4 . 1 . . . . . . . . . 5903 1 129 . 1 1 35 35 CYS N N 15 115.2 0.7 . 1 . . . . . . . . . 5903 1 130 . 1 1 36 36 LYS H H 1 8.2 0.01 . 1 . . . . . . . . . 5903 1 131 . 1 1 36 36 LYS C C 13 180.5 0.2 . 1 . . . . . . . . . 5903 1 132 . 1 1 36 36 LYS CA C 13 60.4 0.4 . 1 . . . . . . . . . 5903 1 133 . 1 1 36 36 LYS N N 15 123.1 0.7 . 1 . . . . . . . . . 5903 1 134 . 1 1 37 37 ALA H H 1 8.17 0.01 . 1 . . . . . . . . . 5903 1 135 . 1 1 37 37 ALA C C 13 177.7 0.2 . 1 . . . . . . . . . 5903 1 136 . 1 1 37 37 ALA CA C 13 55.6 0.4 . 1 . . . . . . . . . 5903 1 137 . 1 1 37 37 ALA N N 15 125.8 0.7 . 1 . . . . . . . . . 5903 1 138 . 1 1 38 38 PHE H H 1 7.67 0.01 . 1 . . . . . . . . . 5903 1 139 . 1 1 38 38 PHE C C 13 177.0 0.2 . 1 . . . . . . . . . 5903 1 140 . 1 1 38 38 PHE CA C 13 59.4 0.4 . 1 . . . . . . . . . 5903 1 141 . 1 1 38 38 PHE N N 15 115.4 0.7 . 1 . . . . . . . . . 5903 1 142 . 1 1 39 39 ASN H H 1 9.01 0.01 . 1 . . . . . . . . . 5903 1 143 . 1 1 39 39 ASN C C 13 173.8 0.2 . 1 . . . . . . . . . 5903 1 144 . 1 1 39 39 ASN CA C 13 54.6 0.4 . 1 . . . . . . . . . 5903 1 145 . 1 1 39 39 ASN N N 15 123.4 0.7 . 1 . . . . . . . . . 5903 1 146 . 1 1 40 40 SER H H 1 8.23 0.01 . 1 . . . . . . . . . 5903 1 147 . 1 1 40 40 SER C C 13 171.8 0.2 . 1 . . . . . . . . . 5903 1 148 . 1 1 40 40 SER CA C 13 58.7 0.4 . 1 . . . . . . . . . 5903 1 149 . 1 1 40 40 SER N N 15 112.2 0.7 . 1 . . . . . . . . . 5903 1 150 . 1 1 41 41 THR H H 1 9.09 0.01 . 1 . . . . . . . . . 5903 1 151 . 1 1 41 41 THR C C 13 175.3 0.2 . 1 . . . . . . . . . 5903 1 152 . 1 1 41 41 THR CA C 13 59.3 0.4 . 1 . . . . . . . . . 5903 1 153 . 1 1 41 41 THR N N 15 112.6 0.7 . 1 . . . . . . . . . 5903 1 154 . 1 1 42 42 LEU H H 1 9.08 0.01 . 1 . . . . . . . . . 5903 1 155 . 1 1 42 42 LEU CA C 13 54.1 0.4 . 1 . . . . . . . . . 5903 1 156 . 1 1 42 42 LEU N N 15 125.1 0.7 . 1 . . . . . . . . . 5903 1 157 . 1 1 43 43 PRO C C 13 175.6 0.2 . 1 . . . . . . . . . 5903 1 158 . 1 1 44 44 THR H H 1 8.46 0.01 . 1 . . . . . . . . . 5903 1 159 . 1 1 44 44 THR C C 13 176.4 0.2 . 1 . . . . . . . . . 5903 1 160 . 1 1 44 44 THR CA C 13 60.1 0.4 . 1 . . . . . . . . . 5903 1 161 . 1 1 44 44 THR N N 15 111.9 0.7 . 1 . . . . . . . . . 5903 1 162 . 1 1 45 45 MET H H 1 8.96 0.01 . 1 . . . . . . . . . 5903 1 163 . 1 1 45 45 MET C C 13 178.1 0.2 . 1 . . . . . . . . . 5903 1 164 . 1 1 45 45 MET CA C 13 57.7 0.4 . 1 . . . . . . . . . 5903 1 165 . 1 1 45 45 MET N N 15 121.8 0.7 . 1 . . . . . . . . . 5903 1 166 . 1 1 46 46 ALA H H 1 8.40 0.01 . 1 . . . . . . . . . 5903 1 167 . 1 1 46 46 ALA C C 13 181.7 0.2 . 1 . . . . . . . . . 5903 1 168 . 1 1 46 46 ALA CA C 13 55.0 0.4 . 1 . . . . . . . . . 5903 1 169 . 1 1 46 46 ALA N N 15 121.1 0.7 . 1 . . . . . . . . . 5903 1 170 . 1 1 47 47 GLN H H 1 7.70 0.01 . 1 . . . . . . . . . 5903 1 171 . 1 1 47 47 GLN C C 13 180.0 0.2 . 1 . . . . . . . . . 5903 1 172 . 1 1 47 47 GLN CA C 13 58.5 0.4 . 1 . . . . . . . . . 5903 1 173 . 1 1 47 47 GLN N N 15 119.7 0.7 . 1 . . . . . . . . . 5903 1 174 . 1 1 48 48 MET H H 1 8.11 0.01 . 1 . . . . . . . . . 5903 1 175 . 1 1 48 48 MET C C 13 178.0 0.2 . 1 . . . . . . . . . 5903 1 176 . 1 1 48 48 MET CA C 13 56.3 0.4 . 1 . . . . . . . . . 5903 1 177 . 1 1 48 48 MET N N 15 120.1 0.7 . 1 . . . . . . . . . 5903 1 178 . 1 1 49 49 GLU H H 1 8.8 0.01 . 1 . . . . . . . . . 5903 1 179 . 1 1 49 49 GLU C C 13 179.9 0.2 . 1 . . . . . . . . . 5903 1 180 . 1 1 49 49 GLU CA C 13 59.8 0.4 . 1 . . . . . . . . . 5903 1 181 . 1 1 49 49 GLU N N 15 120.8 0.7 . 1 . . . . . . . . . 5903 1 182 . 1 1 50 50 LYS H H 1 7.94 0.01 . 1 . . . . . . . . . 5903 1 183 . 1 1 50 50 LYS C C 13 179.7 0.2 . 1 . . . . . . . . . 5903 1 184 . 1 1 50 50 LYS CA C 13 58.4 0.4 . 1 . . . . . . . . . 5903 1 185 . 1 1 50 50 LYS N N 15 121.9 0.7 . 1 . . . . . . . . . 5903 1 186 . 1 1 51 51 ALA H H 1 7.81 0.01 . 1 . . . . . . . . . 5903 1 187 . 1 1 51 51 ALA C C 13 179.9 0.2 . 1 . . . . . . . . . 5903 1 188 . 1 1 51 51 ALA CA C 13 55.6 0.4 . 1 . . . . . . . . . 5903 1 189 . 1 1 51 51 ALA N N 15 124.1 0.7 . 1 . . . . . . . . . 5903 1 190 . 1 1 52 52 LEU H H 1 8.60 0.01 . 1 . . . . . . . . . 5903 1 191 . 1 1 52 52 LEU C C 13 181.0 0.2 . 1 . . . . . . . . . 5903 1 192 . 1 1 52 52 LEU CA C 13 58.3 0.4 . 1 . . . . . . . . . 5903 1 193 . 1 1 52 52 LEU N N 15 122.2 0.7 . 1 . . . . . . . . . 5903 1 194 . 1 1 53 53 SER H H 1 7.92 0.01 . 1 . . . . . . . . . 5903 1 195 . 1 1 53 53 SER C C 13 175.2 0.2 . 1 . . . . . . . . . 5903 1 196 . 1 1 53 53 SER CA C 13 61.5 0.4 . 1 . . . . . . . . . 5903 1 197 . 1 1 53 53 SER N N 15 115.2 0.7 . 1 . . . . . . . . . 5903 1 198 . 1 1 54 54 ILE H H 1 7.43 0.01 . 1 . . . . . . . . . 5903 1 199 . 1 1 54 54 ILE C C 13 176.0 0.2 . 1 . . . . . . . . . 5903 1 200 . 1 1 54 54 ILE CA C 13 60.5 0.4 . 1 . . . . . . . . . 5903 1 201 . 1 1 54 54 ILE N N 15 115.4 0.7 . 1 . . . . . . . . . 5903 1 202 . 1 1 55 55 GLY H H 1 7.76 0.01 . 1 . . . . . . . . . 5903 1 203 . 1 1 55 55 GLY C C 13 174.1 0.2 . 1 . . . . . . . . . 5903 1 204 . 1 1 55 55 GLY CA C 13 45.1 0.4 . 1 . . . . . . . . . 5903 1 205 . 1 1 55 55 GLY N N 15 107.3 0.7 . 1 . . . . . . . . . 5903 1 206 . 1 1 56 56 PHE H H 1 7.89 0.01 . 1 . . . . . . . . . 5903 1 207 . 1 1 56 56 PHE C C 13 170.8 0.2 . 1 . . . . . . . . . 5903 1 208 . 1 1 56 56 PHE CA C 13 57.3 0.4 . 1 . . . . . . . . . 5903 1 209 . 1 1 56 56 PHE N N 15 125 0.7 . 1 . . . . . . . . . 5903 1 210 . 1 1 57 57 GLU H H 1 6.89 0.01 . 1 . . . . . . . . . 5903 1 211 . 1 1 57 57 GLU C C 13 174.7 0.2 . 1 . . . . . . . . . 5903 1 212 . 1 1 57 57 GLU CA C 13 54.1 0.4 . 1 . . . . . . . . . 5903 1 213 . 1 1 57 57 GLU N N 15 120.1 0.7 . 1 . . . . . . . . . 5903 1 214 . 1 1 58 58 THR H H 1 7.94 0.01 . 1 . . . . . . . . . 5903 1 215 . 1 1 58 58 THR C C 13 172.6 0.2 . 1 . . . . . . . . . 5903 1 216 . 1 1 58 58 THR CA C 13 59.0 0.4 . 1 . . . . . . . . . 5903 1 217 . 1 1 58 58 THR N N 15 110.9 0.7 . 1 . . . . . . . . . 5903 1 218 . 1 1 59 59 CYS H H 1 8.96 0.01 . 1 . . . . . . . . . 5903 1 219 . 1 1 59 59 CYS C C 13 175.2 0.2 . 1 . . . . . . . . . 5903 1 220 . 1 1 59 59 CYS CA C 13 55.8 0.4 . 1 . . . . . . . . . 5903 1 221 . 1 1 59 59 CYS N N 15 120.6 0.7 . 1 . . . . . . . . . 5903 1 222 . 1 1 60 60 ARG H H 1 7.90 0.01 . 1 . . . . . . . . . 5903 1 223 . 1 1 60 60 ARG C C 13 179.2 0.2 . 1 . . . . . . . . . 5903 1 224 . 1 1 60 60 ARG CA C 13 52.9 0.4 . 1 . . . . . . . . . 5903 1 225 . 1 1 60 60 ARG N N 15 119.8 0.7 . 1 . . . . . . . . . 5903 1 226 . 1 1 61 61 TYR H H 1 8.41 0.01 . 1 . . . . . . . . . 5903 1 227 . 1 1 61 61 TYR C C 13 176.4 0.2 . 1 . . . . . . . . . 5903 1 228 . 1 1 61 61 TYR CA C 13 57.9 0.4 . 1 . . . . . . . . . 5903 1 229 . 1 1 61 61 TYR N N 15 123.7 0.7 . 1 . . . . . . . . . 5903 1 230 . 1 1 62 62 GLY H H 1 9.21 0.01 . 1 . . . . . . . . . 5903 1 231 . 1 1 62 62 GLY C C 13 171.9 0.2 . 1 . . . . . . . . . 5903 1 232 . 1 1 62 62 GLY CA C 13 44.8 0.4 . 1 . . . . . . . . . 5903 1 233 . 1 1 62 62 GLY N N 15 106.2 0.7 . 1 . . . . . . . . . 5903 1 234 . 1 1 63 63 PHE H H 1 7.86 0.01 . 1 . . . . . . . . . 5903 1 235 . 1 1 63 63 PHE C C 13 175.3 0.2 . 1 . . . . . . . . . 5903 1 236 . 1 1 63 63 PHE CA C 13 61.5 0.4 . 1 . . . . . . . . . 5903 1 237 . 1 1 63 63 PHE N N 15 121.2 0.7 . 1 . . . . . . . . . 5903 1 238 . 1 1 64 64 ILE H H 1 8.78 0.01 . 1 . . . . . . . . . 5903 1 239 . 1 1 64 64 ILE C C 13 175.7 0.2 . 1 . . . . . . . . . 5903 1 240 . 1 1 64 64 ILE CA C 13 60.9 0.4 . 1 . . . . . . . . . 5903 1 241 . 1 1 64 64 ILE N N 15 111.4 0.7 . 1 . . . . . . . . . 5903 1 242 . 1 1 65 65 GLU H H 1 9.20 0.01 . 1 . . . . . . . . . 5903 1 243 . 1 1 65 65 GLU C C 13 177.1 0.2 . 1 . . . . . . . . . 5903 1 244 . 1 1 65 65 GLU CA C 13 58.9 0.4 . 1 . . . . . . . . . 5903 1 245 . 1 1 65 65 GLU N N 15 123.4 0.7 . 1 . . . . . . . . . 5903 1 246 . 1 1 66 66 GLY H H 1 8.62 0.01 . 1 . . . . . . . . . 5903 1 247 . 1 1 66 66 GLY C C 13 173.4 0.2 . 1 . . . . . . . . . 5903 1 248 . 1 1 66 66 GLY CA C 13 46.0 0.4 . 1 . . . . . . . . . 5903 1 249 . 1 1 66 66 GLY N N 15 117.1 0.7 . 1 . . . . . . . . . 5903 1 250 . 1 1 67 67 HIS H H 1 7.13 0.01 . 1 . . . . . . . . . 5903 1 251 . 1 1 67 67 HIS C C 13 172.3 0.2 . 1 . . . . . . . . . 5903 1 252 . 1 1 67 67 HIS CA C 13 55.2 0.4 . 1 . . . . . . . . . 5903 1 253 . 1 1 67 67 HIS N N 15 115.0 0.7 . 1 . . . . . . . . . 5903 1 254 . 1 1 68 68 VAL H H 1 8.89 0.01 . 1 . . . . . . . . . 5903 1 255 . 1 1 68 68 VAL C C 13 175.5 0.2 . 1 . . . . . . . . . 5903 1 256 . 1 1 68 68 VAL CA C 13 62.8 0.4 . 1 . . . . . . . . . 5903 1 257 . 1 1 68 68 VAL N N 15 123.5 0.7 . 1 . . . . . . . . . 5903 1 258 . 1 1 69 69 VAL H H 1 8.67 0.01 . 1 . . . . . . . . . 5903 1 259 . 1 1 69 69 VAL C C 13 175.2 0.2 . 1 . . . . . . . . . 5903 1 260 . 1 1 69 69 VAL CA C 13 57.6 0.4 . 1 . . . . . . . . . 5903 1 261 . 1 1 69 69 VAL N N 15 115.8 0.7 . 1 . . . . . . . . . 5903 1 262 . 1 1 70 70 ILE H H 1 8.51 0.01 . 1 . . . . . . . . . 5903 1 263 . 1 1 70 70 ILE CA C 13 57.7 0.4 . 1 . . . . . . . . . 5903 1 264 . 1 1 70 70 ILE N N 15 117.3 0.7 . 1 . . . . . . . . . 5903 1 265 . 1 1 71 71 PRO C C 13 174.3 0.2 . 1 . . . . . . . . . 5903 1 266 . 1 1 72 72 ARG H H 1 8.46 0.01 . 1 . . . . . . . . . 5903 1 267 . 1 1 72 72 ARG C C 13 175.0 0.2 . 1 . . . . . . . . . 5903 1 268 . 1 1 72 72 ARG CA C 13 52.2 0.4 . 1 . . . . . . . . . 5903 1 269 . 1 1 72 72 ARG N N 15 121.3 0.7 . 1 . . . . . . . . . 5903 1 270 . 1 1 73 73 ILE H H 1 9.55 0.01 . 1 . . . . . . . . . 5903 1 271 . 1 1 73 73 ILE C C 13 175.6 0.2 . 1 . . . . . . . . . 5903 1 272 . 1 1 73 73 ILE CA C 13 62.6 0.4 . 1 . . . . . . . . . 5903 1 273 . 1 1 73 73 ILE N N 15 126.3 0.7 . 1 . . . . . . . . . 5903 1 274 . 1 1 74 74 HIS H H 1 9.13 0.01 . 1 . . . . . . . . . 5903 1 275 . 1 1 74 74 HIS CA C 13 53.5 0.4 . 1 . . . . . . . . . 5903 1 276 . 1 1 74 74 HIS N N 15 120.7 0.7 . 1 . . . . . . . . . 5903 1 277 . 1 1 78 78 ILE H H 1 7.88 0.01 . 1 . . . . . . . . . 5903 1 278 . 1 1 78 78 ILE C C 13 175.9 0.2 . 1 . . . . . . . . . 5903 1 279 . 1 1 78 78 ILE CA C 13 61.6 0.4 . 1 . . . . . . . . . 5903 1 280 . 1 1 78 78 ILE N N 15 115.9 0.7 . 1 . . . . . . . . . 5903 1 281 . 1 1 79 79 CYS H H 1 7.55 0.01 . 1 . . . . . . . . . 5903 1 282 . 1 1 79 79 CYS C C 13 171.9 0.2 . 1 . . . . . . . . . 5903 1 283 . 1 1 79 79 CYS CA C 13 52.8 0.4 . 1 . . . . . . . . . 5903 1 284 . 1 1 79 79 CYS N N 15 119.5 0.7 . 1 . . . . . . . . . 5903 1 285 . 1 1 80 80 ALA H H 1 9.08 0.01 . 1 . . . . . . . . . 5903 1 286 . 1 1 80 80 ALA C C 13 176.4 0.2 . 1 . . . . . . . . . 5903 1 287 . 1 1 80 80 ALA CA C 13 52.8 0.4 . 1 . . . . . . . . . 5903 1 288 . 1 1 80 80 ALA N N 15 124.5 0.7 . 1 . . . . . . . . . 5903 1 289 . 1 1 81 81 ALA H H 1 8.24 0.01 . 1 . . . . . . . . . 5903 1 290 . 1 1 81 81 ALA C C 13 175.6 0.2 . 1 . . . . . . . . . 5903 1 291 . 1 1 81 81 ALA CA C 13 53.2 0.4 . 1 . . . . . . . . . 5903 1 292 . 1 1 81 81 ALA N N 15 119.7 0.7 . 1 . . . . . . . . . 5903 1 293 . 1 1 82 82 ASN H H 1 7.42 0.01 . 1 . . . . . . . . . 5903 1 294 . 1 1 82 82 ASN C C 13 174.6 0.2 . 1 . . . . . . . . . 5903 1 295 . 1 1 82 82 ASN CA C 13 55.1 0.4 . 1 . . . . . . . . . 5903 1 296 . 1 1 82 82 ASN N N 15 110.4 0.7 . 1 . . . . . . . . . 5903 1 297 . 1 1 83 83 ASN H H 1 7.78 0.01 . 1 . . . . . . . . . 5903 1 298 . 1 1 83 83 ASN C C 13 174.8 0.2 . 1 . . . . . . . . . 5903 1 299 . 1 1 83 83 ASN CA C 13 54.8 0.4 . 1 . . . . . . . . . 5903 1 300 . 1 1 83 83 ASN N N 15 117.9 0.7 . 1 . . . . . . . . . 5903 1 301 . 1 1 84 84 THR H H 1 8.32 0.01 . 1 . . . . . . . . . 5903 1 302 . 1 1 84 84 THR C C 13 174.2 0.2 . 1 . . . . . . . . . 5903 1 303 . 1 1 84 84 THR CA C 13 60.4 0.4 . 1 . . . . . . . . . 5903 1 304 . 1 1 84 84 THR N N 15 108.2 0.7 . 1 . . . . . . . . . 5903 1 305 . 1 1 85 85 GLY H H 1 9.01 0.01 . 1 . . . . . . . . . 5903 1 306 . 1 1 85 85 GLY C C 13 173.3 0.2 . 1 . . . . . . . . . 5903 1 307 . 1 1 85 85 GLY CA C 13 43.8 0.4 . 1 . . . . . . . . . 5903 1 308 . 1 1 85 85 GLY N N 15 109.4 0.7 . 1 . . . . . . . . . 5903 1 309 . 1 1 86 86 VAL H H 1 8.73 0.01 . 1 . . . . . . . . . 5903 1 310 . 1 1 86 86 VAL C C 13 173.8 0.2 . 1 . . . . . . . . . 5903 1 311 . 1 1 86 86 VAL CA C 13 62.7 0.4 . 1 . . . . . . . . . 5903 1 312 . 1 1 86 86 VAL N N 15 121.8 0.7 . 1 . . . . . . . . . 5903 1 313 . 1 1 87 87 TYR H H 1 8.23 0.01 . 1 . . . . . . . . . 5903 1 314 . 1 1 87 87 TYR C C 13 174.5 0.2 . 1 . . . . . . . . . 5903 1 315 . 1 1 87 87 TYR CA C 13 58.5 0.4 . 1 . . . . . . . . . 5903 1 316 . 1 1 87 87 TYR N N 15 131 0.7 . 1 . . . . . . . . . 5903 1 317 . 1 1 88 88 ILE H H 1 7.42 0.01 . 1 . . . . . . . . . 5903 1 318 . 1 1 88 88 ILE C C 13 174.6 0.2 . 1 . . . . . . . . . 5903 1 319 . 1 1 88 88 ILE CA C 13 60.8 0.4 . 1 . . . . . . . . . 5903 1 320 . 1 1 88 88 ILE N N 15 127.8 0.7 . 1 . . . . . . . . . 5903 1 321 . 1 1 89 89 LEU H H 1 8.44 0.01 . 1 . . . . . . . . . 5903 1 322 . 1 1 89 89 LEU C C 13 176.9 0.2 . 1 . . . . . . . . . 5903 1 323 . 1 1 89 89 LEU CA C 13 53.5 0.4 . 1 . . . . . . . . . 5903 1 324 . 1 1 89 89 LEU N N 15 129.9 0.7 . 1 . . . . . . . . . 5903 1 325 . 1 1 90 90 THR H H 1 8.46 0.01 . 1 . . . . . . . . . 5903 1 326 . 1 1 90 90 THR C C 13 174.4 0.2 . 1 . . . . . . . . . 5903 1 327 . 1 1 90 90 THR CA C 13 63 0.4 . 1 . . . . . . . . . 5903 1 328 . 1 1 90 90 THR N N 15 122.3 0.7 . 1 . . . . . . . . . 5903 1 329 . 1 1 91 91 SER H H 1 7.87 0.01 . 1 . . . . . . . . . 5903 1 330 . 1 1 91 91 SER CA C 13 57.2 0.4 . 1 . . . . . . . . . 5903 1 331 . 1 1 91 91 SER N N 15 119.2 0.7 . 1 . . . . . . . . . 5903 1 332 . 1 1 93 93 THR H H 1 8.19 0.01 . 1 . . . . . . . . . 5903 1 333 . 1 1 93 93 THR C C 13 174.7 0.2 . 1 . . . . . . . . . 5903 1 334 . 1 1 93 93 THR CA C 13 62.1 0.4 . 1 . . . . . . . . . 5903 1 335 . 1 1 93 93 THR N N 15 113.7 0.7 . 1 . . . . . . . . . 5903 1 336 . 1 1 94 94 SER H H 1 8.12 0.01 . 1 . . . . . . . . . 5903 1 337 . 1 1 94 94 SER C C 13 173.3 0.2 . 1 . . . . . . . . . 5903 1 338 . 1 1 94 94 SER CA C 13 58.2 0.4 . 1 . . . . . . . . . 5903 1 339 . 1 1 94 94 SER N N 15 117.0 0.7 . 1 . . . . . . . . . 5903 1 340 . 1 1 95 95 GLN H H 1 7.27 0.01 . 1 . . . . . . . . . 5903 1 341 . 1 1 95 95 GLN C C 13 173.7 0.2 . 1 . . . . . . . . . 5903 1 342 . 1 1 95 95 GLN CA C 13 54.8 0.4 . 1 . . . . . . . . . 5903 1 343 . 1 1 95 95 GLN N N 15 119.3 0.7 . 1 . . . . . . . . . 5903 1 344 . 1 1 96 96 TYR H H 1 8.65 0.01 . 1 . . . . . . . . . 5903 1 345 . 1 1 96 96 TYR C C 13 174.6 0.2 . 1 . . . . . . . . . 5903 1 346 . 1 1 96 96 TYR CA C 13 57.9 0.4 . 1 . . . . . . . . . 5903 1 347 . 1 1 96 96 TYR N N 15 120.1 0.7 . 1 . . . . . . . . . 5903 1 348 . 1 1 97 97 ASP H H 1 7.82 0.01 . 1 . . . . . . . . . 5903 1 349 . 1 1 97 97 ASP C C 13 175.2 0.2 . 1 . . . . . . . . . 5903 1 350 . 1 1 97 97 ASP CA C 13 54.5 0.4 . 1 . . . . . . . . . 5903 1 351 . 1 1 97 97 ASP N N 15 120.6 0.7 . 1 . . . . . . . . . 5903 1 352 . 1 1 98 98 THR H H 1 8.07 0.01 . 1 . . . . . . . . . 5903 1 353 . 1 1 98 98 THR CA C 13 62.6 0.4 . 1 . . . . . . . . . 5903 1 354 . 1 1 98 98 THR N N 15 111.5 0.7 . 1 . . . . . . . . . 5903 1 355 . 1 1 99 99 TYR H H 1 8.61 0.01 . 1 . . . . . . . . . 5903 1 356 . 1 1 99 99 TYR C C 13 174.7 0.2 . 1 . . . . . . . . . 5903 1 357 . 1 1 99 99 TYR CA C 13 56.8 0.4 . 1 . . . . . . . . . 5903 1 358 . 1 1 99 99 TYR N N 15 123.7 0.7 . 1 . . . . . . . . . 5903 1 359 . 1 1 100 100 CYS H H 1 8.52 0.01 . 1 . . . . . . . . . 5903 1 360 . 1 1 100 100 CYS C C 13 172.3 0.2 . 1 . . . . . . . . . 5903 1 361 . 1 1 100 100 CYS CA C 13 51.6 0.4 . 1 . . . . . . . . . 5903 1 362 . 1 1 100 100 CYS N N 15 114.2 0.7 . 1 . . . . . . . . . 5903 1 363 . 1 1 101 101 PHE H H 1 9.95 0.01 . 1 . . . . . . . . . 5903 1 364 . 1 1 101 101 PHE C C 13 172.8 0.2 . 1 . . . . . . . . . 5903 1 365 . 1 1 101 101 PHE CA C 13 56.4 0.4 . 1 . . . . . . . . . 5903 1 366 . 1 1 101 101 PHE N N 15 121.2 0.7 . 1 . . . . . . . . . 5903 1 367 . 1 1 102 102 ASN H H 1 9.06 0.01 . 1 . . . . . . . . . 5903 1 368 . 1 1 102 102 ASN C C 13 174.6 0.2 . 1 . . . . . . . . . 5903 1 369 . 1 1 102 102 ASN CA C 13 51.7 0.4 . 1 . . . . . . . . . 5903 1 370 . 1 1 102 102 ASN N N 15 129.0 0.7 . 1 . . . . . . . . . 5903 1 371 . 1 1 103 103 ALA H H 1 8.75 0.01 . 1 . . . . . . . . . 5903 1 372 . 1 1 103 103 ALA C C 13 177.6 0.2 . 1 . . . . . . . . . 5903 1 373 . 1 1 103 103 ALA CA C 13 54.0 0.4 . 1 . . . . . . . . . 5903 1 374 . 1 1 103 103 ALA N N 15 128.4 0.7 . 1 . . . . . . . . . 5903 1 375 . 1 1 104 104 SER H H 1 8.13 0.01 . 1 . . . . . . . . . 5903 1 376 . 1 1 104 104 SER C C 13 173.7 0.2 . 1 . . . . . . . . . 5903 1 377 . 1 1 104 104 SER CA C 13 58.6 0.4 . 1 . . . . . . . . . 5903 1 378 . 1 1 104 104 SER N N 15 112.7 0.7 . 1 . . . . . . . . . 5903 1 379 . 1 1 105 105 ALA H H 1 6.90 0.01 . 1 . . . . . . . . . 5903 1 380 . 1 1 105 105 ALA CA C 13 50.6 0.4 . 1 . . . . . . . . . 5903 1 381 . 1 1 105 105 ALA N N 15 126.2 0.7 . 1 . . . . . . . . . 5903 1 382 . 1 1 107 107 PRO C C 13 175.9 0.2 . 1 . . . . . . . . . 5903 1 383 . 1 1 108 108 GLU H H 1 7.86 0.01 . 1 . . . . . . . . . 5903 1 384 . 1 1 108 108 GLU C C 13 174.7 0.2 . 1 . . . . . . . . . 5903 1 385 . 1 1 108 108 GLU CA C 13 55.3 0.4 . 1 . . . . . . . . . 5903 1 386 . 1 1 108 108 GLU N N 15 116.7 0.7 . 1 . . . . . . . . . 5903 1 387 . 1 1 109 109 GLU H H 1 8.31 0.01 . 1 . . . . . . . . . 5903 1 388 . 1 1 109 109 GLU C C 13 173.2 0.2 . 1 . . . . . . . . . 5903 1 389 . 1 1 109 109 GLU CA C 13 56.3 0.4 . 1 . . . . . . . . . 5903 1 390 . 1 1 109 109 GLU N N 15 124.0 0.7 . 1 . . . . . . . . . 5903 1 391 . 1 1 110 110 ASP H H 1 9.45 0.01 . 1 . . . . . . . . . 5903 1 392 . 1 1 110 110 ASP C C 13 176.5 0.2 . 1 . . . . . . . . . 5903 1 393 . 1 1 110 110 ASP CA C 13 53.2 0.4 . 1 . . . . . . . . . 5903 1 394 . 1 1 110 110 ASP N N 15 127.9 0.7 . 1 . . . . . . . . . 5903 1 395 . 1 1 111 111 CYS H H 1 9.34 0.01 . 1 . . . . . . . . . 5903 1 396 . 1 1 111 111 CYS C C 13 175.3 0.2 . 1 . . . . . . . . . 5903 1 397 . 1 1 111 111 CYS CA C 13 52.6 0.4 . 1 . . . . . . . . . 5903 1 398 . 1 1 111 111 CYS N N 15 125.2 0.7 . 1 . . . . . . . . . 5903 1 399 . 1 1 112 112 THR H H 1 8.18 0.01 . 1 . . . . . . . . . 5903 1 400 . 1 1 112 112 THR C C 13 175.2 0.2 . 1 . . . . . . . . . 5903 1 401 . 1 1 112 112 THR CA C 13 64.7 0.4 . 1 . . . . . . . . . 5903 1 402 . 1 1 112 112 THR N N 15 119.7 0.7 . 1 . . . . . . . . . 5903 1 403 . 1 1 113 113 SER H H 1 8.72 0.01 . 1 . . . . . . . . . 5903 1 404 . 1 1 113 113 SER C C 13 173.7 0.2 . 1 . . . . . . . . . 5903 1 405 . 1 1 113 113 SER CA C 13 60.1 0.4 . 1 . . . . . . . . . 5903 1 406 . 1 1 113 113 SER N N 15 122.8 0.7 . 1 . . . . . . . . . 5903 1 407 . 1 1 114 114 VAL H H 1 8.87 0.01 . 1 . . . . . . . . . 5903 1 408 . 1 1 114 114 VAL C C 13 176.1 0.2 . 1 . . . . . . . . . 5903 1 409 . 1 1 114 114 VAL CA C 13 62.7 0.4 . 1 . . . . . . . . . 5903 1 410 . 1 1 114 114 VAL N N 15 129.0 0.7 . 1 . . . . . . . . . 5903 1 411 . 1 1 115 115 THR H H 1 8.06 0.01 . 1 . . . . . . . . . 5903 1 412 . 1 1 115 115 THR C C 13 172.7 0.2 . 1 . . . . . . . . . 5903 1 413 . 1 1 115 115 THR CA C 13 60.8 0.4 . 1 . . . . . . . . . 5903 1 414 . 1 1 115 115 THR N N 15 114.3 0.7 . 1 . . . . . . . . . 5903 1 415 . 1 1 116 116 ASP H H 1 7.38 0.01 . 1 . . . . . . . . . 5903 1 416 . 1 1 116 116 ASP C C 13 172.8 0.2 . 1 . . . . . . . . . 5903 1 417 . 1 1 116 116 ASP CA C 13 53.0 0.4 . 1 . . . . . . . . . 5903 1 418 . 1 1 116 116 ASP N N 15 117.5 0.7 . 1 . . . . . . . . . 5903 1 419 . 1 1 117 117 LEU H H 1 8.85 0.01 . 1 . . . . . . . . . 5903 1 420 . 1 1 117 117 LEU CA C 13 51.4 0.4 . 1 . . . . . . . . . 5903 1 421 . 1 1 117 117 LEU N N 15 120.1 0.7 . 1 . . . . . . . . . 5903 1 422 . 1 1 119 119 ASN H H 1 8.19 0.01 . 1 . . . . . . . . . 5903 1 423 . 1 1 119 119 ASN C C 13 176.2 0.2 . 1 . . . . . . . . . 5903 1 424 . 1 1 119 119 ASN CA C 13 51.2 0.4 . 1 . . . . . . . . . 5903 1 425 . 1 1 119 119 ASN N N 15 113.7 0.7 . 1 . . . . . . . . . 5903 1 426 . 1 1 120 120 ALA H H 1 7.17 0.01 . 1 . . . . . . . . . 5903 1 427 . 1 1 120 120 ALA C C 13 175.4 0.2 . 1 . . . . . . . . . 5903 1 428 . 1 1 120 120 ALA CA C 13 52.7 0.4 . 1 . . . . . . . . . 5903 1 429 . 1 1 120 120 ALA N N 15 122.5 0.7 . 1 . . . . . . . . . 5903 1 430 . 1 1 121 121 PHE H H 1 8.16 0.01 . 1 . . . . . . . . . 5903 1 431 . 1 1 121 121 PHE C C 13 175.1 0.2 . 1 . . . . . . . . . 5903 1 432 . 1 1 121 121 PHE CA C 13 54.1 0.4 . 1 . . . . . . . . . 5903 1 433 . 1 1 121 121 PHE N N 15 119.7 0.7 . 1 . . . . . . . . . 5903 1 434 . 1 1 122 122 ASP H H 1 8.50 0.01 . 1 . . . . . . . . . 5903 1 435 . 1 1 122 122 ASP C C 13 176.1 0.2 . 1 . . . . . . . . . 5903 1 436 . 1 1 122 122 ASP CA C 13 55.5 0.4 . 1 . . . . . . . . . 5903 1 437 . 1 1 122 122 ASP N N 15 119.2 0.7 . 1 . . . . . . . . . 5903 1 438 . 1 1 123 123 GLY H H 1 7.97 0.01 . 1 . . . . . . . . . 5903 1 439 . 1 1 123 123 GLY CA C 13 45.4 0.4 . 1 . . . . . . . . . 5903 1 440 . 1 1 123 123 GLY N N 15 109.2 0.7 . 1 . . . . . . . . . 5903 1 441 . 1 1 124 124 PRO C C 13 177.0 0.2 . 1 . . . . . . . . . 5903 1 442 . 1 1 125 125 ILE H H 1 8.21 0.01 . 1 . . . . . . . . . 5903 1 443 . 1 1 125 125 ILE C C 13 177.0 0.2 . 1 . . . . . . . . . 5903 1 444 . 1 1 125 125 ILE CA C 13 59.9 0.4 . 1 . . . . . . . . . 5903 1 445 . 1 1 125 125 ILE N N 15 125.6 0.7 . 1 . . . . . . . . . 5903 1 446 . 1 1 126 126 THR H H 1 8.34 0.01 . 1 . . . . . . . . . 5903 1 447 . 1 1 126 126 THR C C 13 172.8 0.2 . 1 . . . . . . . . . 5903 1 448 . 1 1 126 126 THR CA C 13 63.9 0.4 . 1 . . . . . . . . . 5903 1 449 . 1 1 126 126 THR N N 15 122.8 0.7 . 1 . . . . . . . . . 5903 1 450 . 1 1 127 127 ILE H H 1 9.44 0.01 . 1 . . . . . . . . . 5903 1 451 . 1 1 127 127 ILE C C 13 174.7 0.2 . 1 . . . . . . . . . 5903 1 452 . 1 1 127 127 ILE CA C 13 60.3 0.4 . 1 . . . . . . . . . 5903 1 453 . 1 1 127 127 ILE N N 15 134.6 0.7 . 1 . . . . . . . . . 5903 1 454 . 1 1 128 128 THR H H 1 9.16 0.01 . 1 . . . . . . . . . 5903 1 455 . 1 1 128 128 THR C C 13 175.8 0.2 . 1 . . . . . . . . . 5903 1 456 . 1 1 128 128 THR CA C 13 61.1 0.4 . 1 . . . . . . . . . 5903 1 457 . 1 1 128 128 THR N N 15 123.9 0.7 . 1 . . . . . . . . . 5903 1 458 . 1 1 129 129 ILE H H 1 9.44 0.01 . 1 . . . . . . . . . 5903 1 459 . 1 1 129 129 ILE C C 13 174.8 0.2 . 1 . . . . . . . . . 5903 1 460 . 1 1 129 129 ILE CA C 13 60.9 0.4 . 1 . . . . . . . . . 5903 1 461 . 1 1 129 129 ILE N N 15 127.7 0.7 . 1 . . . . . . . . . 5903 1 462 . 1 1 130 130 VAL H H 1 9.22 0.01 . 1 . . . . . . . . . 5903 1 463 . 1 1 130 130 VAL C C 13 176.0 0.2 . 1 . . . . . . . . . 5903 1 464 . 1 1 130 130 VAL CA C 13 61.9 0.4 . 1 . . . . . . . . . 5903 1 465 . 1 1 130 130 VAL N N 15 128.1 0.7 . 1 . . . . . . . . . 5903 1 466 . 1 1 131 131 ASN H H 1 8.58 0.01 . 1 . . . . . . . . . 5903 1 467 . 1 1 131 131 ASN C C 13 177.3 0.2 . 1 . . . . . . . . . 5903 1 468 . 1 1 131 131 ASN CA C 13 53.7 0.4 . 1 . . . . . . . . . 5903 1 469 . 1 1 131 131 ASN N N 15 124.6 0.7 . 1 . . . . . . . . . 5903 1 470 . 1 1 132 132 ARG H H 1 9.32 0.01 . 1 . . . . . . . . . 5903 1 471 . 1 1 132 132 ARG C C 13 177.1 0.2 . 1 . . . . . . . . . 5903 1 472 . 1 1 132 132 ARG CA C 13 58.4 0.4 . 1 . . . . . . . . . 5903 1 473 . 1 1 132 132 ARG N N 15 124.0 0.7 . 1 . . . . . . . . . 5903 1 474 . 1 1 133 133 ASP H H 1 7.99 0.01 . 1 . . . . . . . . . 5903 1 475 . 1 1 133 133 ASP C C 13 176.9 0.2 . 1 . . . . . . . . . 5903 1 476 . 1 1 133 133 ASP CA C 13 53.6 0.4 . 1 . . . . . . . . . 5903 1 477 . 1 1 133 133 ASP N N 15 117.0 0.7 . 1 . . . . . . . . . 5903 1 478 . 1 1 134 134 GLY H H 1 8.27 0.01 . 1 . . . . . . . . . 5903 1 479 . 1 1 134 134 GLY C C 13 175.0 0.2 . 1 . . . . . . . . . 5903 1 480 . 1 1 134 134 GLY CA C 13 44.8 0.4 . 1 . . . . . . . . . 5903 1 481 . 1 1 134 134 GLY N N 15 109.3 0.7 . 1 . . . . . . . . . 5903 1 482 . 1 1 135 135 THR H H 1 8.35 0.01 . 1 . . . . . . . . . 5903 1 483 . 1 1 135 135 THR C C 13 174.1 0.2 . 1 . . . . . . . . . 5903 1 484 . 1 1 135 135 THR CA C 13 63.4 0.4 . 1 . . . . . . . . . 5903 1 485 . 1 1 135 135 THR N N 15 116.6 0.7 . 1 . . . . . . . . . 5903 1 486 . 1 1 136 136 ARG H H 1 8.18 0.01 . 1 . . . . . . . . . 5903 1 487 . 1 1 136 136 ARG C C 13 175.1 0.2 . 1 . . . . . . . . . 5903 1 488 . 1 1 136 136 ARG CA C 13 54.3 0.4 . 1 . . . . . . . . . 5903 1 489 . 1 1 136 136 ARG N N 15 124.7 0.7 . 1 . . . . . . . . . 5903 1 490 . 1 1 137 137 TYR H H 1 8.84 0.01 . 1 . . . . . . . . . 5903 1 491 . 1 1 137 137 TYR C C 13 173.8 0.2 . 1 . . . . . . . . . 5903 1 492 . 1 1 137 137 TYR CA C 13 57.5 0.4 . 1 . . . . . . . . . 5903 1 493 . 1 1 137 137 TYR N N 15 123.5 0.7 . 1 . . . . . . . . . 5903 1 494 . 1 1 138 138 VAL H H 1 8.57 0.01 . 1 . . . . . . . . . 5903 1 495 . 1 1 138 138 VAL C C 13 175.2 0.2 . 1 . . . . . . . . . 5903 1 496 . 1 1 138 138 VAL CA C 13 61.1 0.4 . 1 . . . . . . . . . 5903 1 497 . 1 1 138 138 VAL N N 15 123.4 0.7 . 1 . . . . . . . . . 5903 1 498 . 1 1 139 139 GLN H H 1 9.48 0.01 . 1 . . . . . . . . . 5903 1 499 . 1 1 139 139 GLN C C 13 173.0 0.2 . 1 . . . . . . . . . 5903 1 500 . 1 1 139 139 GLN CA C 13 54.3 0.4 . 1 . . . . . . . . . 5903 1 501 . 1 1 139 139 GLN N N 15 128.3 0.7 . 1 . . . . . . . . . 5903 1 502 . 1 1 140 140 LYS H H 1 8.64 0.01 . 1 . . . . . . . . . 5903 1 503 . 1 1 140 140 LYS C C 13 177.5 0.2 . 1 . . . . . . . . . 5903 1 504 . 1 1 140 140 LYS CA C 13 53.9 0.4 . 1 . . . . . . . . . 5903 1 505 . 1 1 140 140 LYS N N 15 124.7 0.7 . 1 . . . . . . . . . 5903 1 506 . 1 1 141 141 GLY H H 1 9.15 0.01 . 1 . . . . . . . . . 5903 1 507 . 1 1 141 141 GLY C C 13 169.5 0.2 . 1 . . . . . . . . . 5903 1 508 . 1 1 141 141 GLY CA C 13 46.8 0.4 . 1 . . . . . . . . . 5903 1 509 . 1 1 141 141 GLY N N 15 115.4 0.7 . 1 . . . . . . . . . 5903 1 510 . 1 1 142 142 GLU H H 1 8.00 0.01 . 1 . . . . . . . . . 5903 1 511 . 1 1 142 142 GLU C C 13 170.5 0.2 . 1 . . . . . . . . . 5903 1 512 . 1 1 142 142 GLU CA C 13 54.8 0.4 . 1 . . . . . . . . . 5903 1 513 . 1 1 142 142 GLU N N 15 119.2 0.7 . 1 . . . . . . . . . 5903 1 514 . 1 1 143 143 TYR H H 1 8.79 0.01 . 1 . . . . . . . . . 5903 1 515 . 1 1 143 143 TYR C C 13 174.0 0.2 . 1 . . . . . . . . . 5903 1 516 . 1 1 143 143 TYR CA C 13 57.2 0.4 . 1 . . . . . . . . . 5903 1 517 . 1 1 143 143 TYR N N 15 117.2 0.7 . 1 . . . . . . . . . 5903 1 518 . 1 1 144 144 ARG H H 1 8.96 0.01 . 1 . . . . . . . . . 5903 1 519 . 1 1 144 144 ARG C C 13 175.8 0.2 . 1 . . . . . . . . . 5903 1 520 . 1 1 144 144 ARG CA C 13 57.0 0.4 . 1 . . . . . . . . . 5903 1 521 . 1 1 144 144 ARG N N 15 128.5 0.7 . 1 . . . . . . . . . 5903 1 522 . 1 1 145 145 THR H H 1 8.83 0.01 . 1 . . . . . . . . . 5903 1 523 . 1 1 145 145 THR C C 13 174.9 0.2 . 1 . . . . . . . . . 5903 1 524 . 1 1 145 145 THR CA C 13 61.8 0.4 . 1 . . . . . . . . . 5903 1 525 . 1 1 145 145 THR N N 15 112.1 0.7 . 1 . . . . . . . . . 5903 1 526 . 1 1 146 146 ASN H H 1 8.81 0.01 . 1 . . . . . . . . . 5903 1 527 . 1 1 146 146 ASN CA C 13 49.9 0.4 . 1 . . . . . . . . . 5903 1 528 . 1 1 146 146 ASN N N 15 125.6 0.7 . 1 . . . . . . . . . 5903 1 529 . 1 1 147 147 PRO C C 13 178.0 0.2 . 1 . . . . . . . . . 5903 1 530 . 1 1 148 148 GLU H H 1 7.95 0.01 . 1 . . . . . . . . . 5903 1 531 . 1 1 148 148 GLU C C 13 177.7 0.2 . 1 . . . . . . . . . 5903 1 532 . 1 1 148 148 GLU CA C 13 58.1 0.4 . 1 . . . . . . . . . 5903 1 533 . 1 1 148 148 GLU N N 15 115.8 0.7 . 1 . . . . . . . . . 5903 1 534 . 1 1 149 149 ASP H H 1 7.83 0.01 . 1 . . . . . . . . . 5903 1 535 . 1 1 149 149 ASP C C 13 176.1 0.2 . 1 . . . . . . . . . 5903 1 536 . 1 1 149 149 ASP CA C 13 55.5 0.4 . 1 . . . . . . . . . 5903 1 537 . 1 1 149 149 ASP N N 15 115.6 0.7 . 1 . . . . . . . . . 5903 1 538 . 1 1 150 150 ILE H H 1 7.13 0.01 . 1 . . . . . . . . . 5903 1 539 . 1 1 150 150 ILE C C 13 175.7 0.2 . 1 . . . . . . . . . 5903 1 540 . 1 1 150 150 ILE CA C 13 63.7 0.4 . 1 . . . . . . . . . 5903 1 541 . 1 1 150 150 ILE N N 15 120.9 0.7 . 1 . . . . . . . . . 5903 1 542 . 1 1 151 151 TYR H H 1 7.95 0.01 . 1 . . . . . . . . . 5903 1 543 . 1 1 151 151 TYR CA C 13 54.8 0.4 . 1 . . . . . . . . . 5903 1 544 . 1 1 151 151 TYR N N 15 120.7 0.7 . 1 . . . . . . . . . 5903 1 545 . 1 1 152 152 PRO C C 13 177.6 0.2 . 1 . . . . . . . . . 5903 1 546 . 1 1 153 153 SER H H 1 8.75 0.01 . 1 . . . . . . . . . 5903 1 547 . 1 1 153 153 SER C C 13 174.1 0.2 . 1 . . . . . . . . . 5903 1 548 . 1 1 153 153 SER CA C 13 58.7 0.4 . 1 . . . . . . . . . 5903 1 549 . 1 1 153 153 SER N N 15 118.0 0.7 . 1 . . . . . . . . . 5903 1 550 . 1 1 154 154 ASN H H 1 8.54 0.01 . 1 . . . . . . . . . 5903 1 551 . 1 1 154 154 ASN CA C 13 51.3 0.4 . 1 . . . . . . . . . 5903 1 552 . 1 1 154 154 ASN N N 15 121.8 0.7 . 1 . . . . . . . . . 5903 1 553 . 1 1 155 155 PRO C C 13 177.2 0.2 . 1 . . . . . . . . . 5903 1 554 . 1 1 156 156 THR H H 1 8.34 0.01 . 1 . . . . . . . . . 5903 1 555 . 1 1 156 156 THR C C 13 174.6 0.2 . 1 . . . . . . . . . 5903 1 556 . 1 1 156 156 THR CA C 13 61.6 0.4 . 1 . . . . . . . . . 5903 1 557 . 1 1 156 156 THR N N 15 114.1 0.7 . 1 . . . . . . . . . 5903 1 558 . 1 1 157 157 ASP H H 1 8.33 0.01 . 1 . . . . . . . . . 5903 1 559 . 1 1 157 157 ASP C C 13 175.9 0.2 . 1 . . . . . . . . . 5903 1 560 . 1 1 157 157 ASP CA C 13 54.6 0.4 . 1 . . . . . . . . . 5903 1 561 . 1 1 157 157 ASP N N 15 122.9 0.7 . 1 . . . . . . . . . 5903 1 562 . 1 1 158 158 ASP H H 1 8.35 0.01 . 1 . . . . . . . . . 5903 1 563 . 1 1 158 158 ASP C C 13 175.9 0.2 . 1 . . . . . . . . . 5903 1 564 . 1 1 158 158 ASP CA C 13 54.4 0.4 . 1 . . . . . . . . . 5903 1 565 . 1 1 158 158 ASP N N 15 121.9 0.7 . 1 . . . . . . . . . 5903 1 566 . 1 1 159 159 ASP H H 1 8.28 0.01 . 1 . . . . . . . . . 5903 1 567 . 1 1 159 159 ASP C C 13 175.3 0.2 . 1 . . . . . . . . . 5903 1 568 . 1 1 159 159 ASP CA C 13 54.5 0.4 . 1 . . . . . . . . . 5903 1 569 . 1 1 159 159 ASP N N 15 120.8 0.7 . 1 . . . . . . . . . 5903 1 570 . 1 1 160 160 VAL H H 1 7.63 0.01 . 1 . . . . . . . . . 5903 1 571 . 1 1 160 160 VAL CA C 13 63.6 0.4 . 1 . . . . . . . . . 5903 1 572 . 1 1 160 160 VAL N N 15 124.2 0.7 . 1 . . . . . . . . . 5903 1 stop_ save_