data_15553 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15553 _Entry.Title ; 1H, 13C and 15N resonance assignments from the Gal_lectin domain of mouse Latrophilin-1 GPCR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-11-10 _Entry.Accession_date 2007-11-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.109 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Ioannis Vakonakis . . . 15553 2 Iain Campbell . D. . 15553 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Biochemistry, University of Oxford' . 15553 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15553 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 463 15553 '15N chemical shifts' 112 15553 '1H chemical shifts' 724 15553 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 2 . . 2008-07-07 2007-11-10 update BMRB 'complete entry citation' 15553 1 . . 2008-04-21 2007-11-10 original author 'original release' 15553 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JX9 'BMRB Entry Tracking System' 15553 PDB 2JXA 'BMRB Entry Tracking System' 15553 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15553 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18547526 _Citation.Full_citation . _Citation.Title 'Solution structure and sugar-binding mechanism of mouse latrophilin-1 RBL: a 7TM receptor-attached lectin-like domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 6 _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 944 _Citation.Page_last 953 _Citation.Year 2008 _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 Ioannis Vakonakis . . . 15553 1 2 Tobias Langenhan . . . 15553 1 3 Simone Promel . . . 15553 1 4 Andreas Russ . . . 15553 1 5 Iain Campbell . . . 15553 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID GPCR 15553 1 lectin 15553 1 NMR 15553 1 'protein structure' 15553 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15553 _Assembly.ID 1 _Assembly.Name Gal_lectin _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12191 _Assembly.Enzyme_commission_number . _Assembly.Details 'NAG beta linked to Asn70 ND2' _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 protein 1 $Gal_lectin A . yes native no no 1 . . 15553 1 2 carbohydrate 2 $NAG A . yes native no no 1 . . 15553 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_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_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 covalent single . 1 . 1 ASN 70 70 ND2 . 2 . 2 NAG 1 1 C1 . . . . . . . . . . 15553 1 2 disulfide single . 1 . 1 CYS 13 13 SG . 1 . 1 CYS 43 43 SG . . . . . . . . . . 15553 1 3 disulfide single . 1 . 1 CYS 22 22 SG . 1 . 1 CYS 100 100 SG . . . . . . . . . . 15553 1 4 disulfide single . 1 . 1 CYS 55 55 SG . 1 . 1 CYS 87 87 SG . . . . . . . . . . 15553 1 5 disulfide single . 1 . 1 CYS 68 68 SG . 1 . 1 CYS 74 74 SG . . . . . . . . . . 15553 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 2 2 NAG 1 1 HO1 . . NAG HO1 15553 1 . . 2 2 NAG 1 1 O1 . . NAG O1 15553 1 . . 1 1 ASN 70 70 HD21 . 98 Asn HD21 15553 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID lectin 15553 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Gal_lectin _Entity.Sf_category entity _Entity.Sf_framecode Gal_lectin _Entity.Entry_ID 15553 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Gal_lectin _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 ; GLPFGLMRRELACEGYPIEL RCPGSDVIMVENANYGRTDD KICDADPFQMENVQCYLPDA FKIMSQRCNNRTQCVVVAGS DAFPDPCPGTYKYLEVQYDC VPYKVE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This is the Gal_lectin-type extracellular domain of Latrophilin-1 GPCR' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID NAG _Entity.Nonpolymer_comp_label $chem_comp_NAG _Entity.Number_of_monomers 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Latrophilin-1 GPCR Gal_lectin domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11979.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2JX9 . "Solution Structure Of The Gal_lectin Domain Of Mouse Latrophilin-1 Gpcr" . . . . . 100.00 106 100.00 100.00 6.82e-71 . . . . 15553 1 2 no PDB 2JXA . "Mouse Latrophilin-1 Gpcr Gal_lectin Domain In Complex With Rhamnose" . . . . . 100.00 106 100.00 100.00 6.82e-71 . . . . 15553 1 3 no DBJ BAA74844 . "KIAA0821 protein [Homo sapiens]" . . . . . 100.00 1474 100.00 100.00 3.74e-69 . . . . 15553 1 4 no DBJ BAC06134 . "seven transmembrane helix receptor [Homo sapiens]" . . . . . 100.00 1474 100.00 100.00 3.74e-69 . . . . 15553 1 5 no DBJ BAC65662 . "mKIAA0821 protein [Mus musculus]" . . . . . 66.98 1406 100.00 100.00 3.46e-43 . . . . 15553 1 6 no DBJ BAG09856 . "latrophilin-1 precursor [synthetic construct]" . . . . . 100.00 1474 100.00 100.00 3.74e-69 . . . . 15553 1 7 no GB AAC53268 . "calcium-independent alpha-latrotoxin receptor [Rattus norvegicus]" . . . . . 100.00 1471 100.00 100.00 2.67e-69 . . . . 15553 1 8 no GB AAC62650 . "CL1AA [Rattus norvegicus]" . . . . . 97.17 1466 100.00 100.00 1.98e-67 . . . . 15553 1 9 no GB AAC62651 . "CL1AB [Rattus norvegicus]" . . . . . 97.17 1510 100.00 100.00 2.75e-67 . . . . 15553 1 10 no GB AAC62652 . "CL1BA [Rattus norvegicus]" . . . . . 100.00 1471 100.00 100.00 2.67e-69 . . . . 15553 1 11 no GB AAC62653 . "CL1BB [Rattus norvegicus]" . . . . . 100.00 1515 100.00 100.00 3.77e-69 . . . . 15553 1 12 no REF NP_001008701 . "adhesion G protein-coupled receptor L1 isoform 1 precursor [Homo sapiens]" . . . . . 100.00 1474 100.00 100.00 3.74e-69 . . . . 15553 1 13 no REF NP_001107200 . "adhesion G protein-coupled receptor L1 precursor [Bos taurus]" . . . . . 100.00 1472 99.06 100.00 1.34e-68 . . . . 15553 1 14 no REF NP_055736 . "adhesion G protein-coupled receptor L1 isoform 2 precursor [Homo sapiens]" . . . . . 97.17 1469 100.00 100.00 2.72e-67 . . . . 15553 1 15 no REF NP_075251 . "adhesion G protein-coupled receptor L1 precursor [Rattus norvegicus]" . . . . . 100.00 1471 100.00 100.00 2.67e-69 . . . . 15553 1 16 no REF NP_851382 . "adhesion G protein-coupled receptor L1 precursor [Mus musculus]" . . . . . 97.17 1466 100.00 100.00 2.22e-67 . . . . 15553 1 17 no SP O88917 . "RecName: Full=Adhesion G protein-coupled receptor L1; AltName: Full=Calcium-independent alpha-latrotoxin receptor 1; Short=CIRL" . . . . . 100.00 1515 100.00 100.00 3.77e-69 . . . . 15553 1 18 no SP O94910 . "RecName: Full=Adhesion G protein-coupled receptor L1; AltName: Full=Calcium-independent alpha-latrotoxin receptor 1; Short=CIRL" . . . . . 100.00 1474 100.00 100.00 3.74e-69 . . . . 15553 1 19 no SP O97831 . "RecName: Full=Adhesion G protein-coupled receptor L1; AltName: Full=Calcium-independent alpha-latrotoxin receptor 1; Short=CIRL" . . . . . 100.00 1472 99.06 100.00 1.34e-68 . . . . 15553 1 20 no SP Q80TR1 . "RecName: Full=Adhesion G protein-coupled receptor L1; AltName: Full=Calcium-independent alpha-latrotoxin receptor 1; Short=CIRL" . . . . . 97.17 1466 100.00 100.00 2.22e-67 . . . . 15553 1 21 no TPG DAA28096 . "TPA: latrophilin-1 precursor [Bos taurus]" . . . . . 100.00 1472 100.00 100.00 3.48e-69 . . . . 15553 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Lectin 15553 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 29 GLY . 15553 1 2 30 LEU . 15553 1 3 31 PRO . 15553 1 4 32 PHE . 15553 1 5 33 GLY . 15553 1 6 34 LEU . 15553 1 7 35 MET . 15553 1 8 36 ARG . 15553 1 9 37 ARG . 15553 1 10 38 GLU . 15553 1 11 39 LEU . 15553 1 12 40 ALA . 15553 1 13 41 CYS . 15553 1 14 42 GLU . 15553 1 15 43 GLY . 15553 1 16 44 TYR . 15553 1 17 45 PRO . 15553 1 18 46 ILE . 15553 1 19 47 GLU . 15553 1 20 48 LEU . 15553 1 21 49 ARG . 15553 1 22 50 CYS . 15553 1 23 51 PRO . 15553 1 24 52 GLY . 15553 1 25 53 SER . 15553 1 26 54 ASP . 15553 1 27 55 VAL . 15553 1 28 56 ILE . 15553 1 29 57 MET . 15553 1 30 58 VAL . 15553 1 31 59 GLU . 15553 1 32 60 ASN . 15553 1 33 61 ALA . 15553 1 34 62 ASN . 15553 1 35 63 TYR . 15553 1 36 64 GLY . 15553 1 37 65 ARG . 15553 1 38 66 THR . 15553 1 39 67 ASP . 15553 1 40 68 ASP . 15553 1 41 69 LYS . 15553 1 42 70 ILE . 15553 1 43 71 CYS . 15553 1 44 72 ASP . 15553 1 45 73 ALA . 15553 1 46 74 ASP . 15553 1 47 75 PRO . 15553 1 48 76 PHE . 15553 1 49 77 GLN . 15553 1 50 78 MET . 15553 1 51 79 GLU . 15553 1 52 80 ASN . 15553 1 53 81 VAL . 15553 1 54 82 GLN . 15553 1 55 83 CYS . 15553 1 56 84 TYR . 15553 1 57 85 LEU . 15553 1 58 86 PRO . 15553 1 59 87 ASP . 15553 1 60 88 ALA . 15553 1 61 89 PHE . 15553 1 62 90 LYS . 15553 1 63 91 ILE . 15553 1 64 92 MET . 15553 1 65 93 SER . 15553 1 66 94 GLN . 15553 1 67 95 ARG . 15553 1 68 96 CYS . 15553 1 69 97 ASN . 15553 1 70 98 ASN . 15553 1 71 99 ARG . 15553 1 72 100 THR . 15553 1 73 101 GLN . 15553 1 74 102 CYS . 15553 1 75 103 VAL . 15553 1 76 104 VAL . 15553 1 77 105 VAL . 15553 1 78 106 ALA . 15553 1 79 107 GLY . 15553 1 80 108 SER . 15553 1 81 109 ASP . 15553 1 82 110 ALA . 15553 1 83 111 PHE . 15553 1 84 112 PRO . 15553 1 85 113 ASP . 15553 1 86 114 PRO . 15553 1 87 115 CYS . 15553 1 88 116 PRO . 15553 1 89 117 GLY . 15553 1 90 118 THR . 15553 1 91 119 TYR . 15553 1 92 120 LYS . 15553 1 93 121 TYR . 15553 1 94 122 LEU . 15553 1 95 123 GLU . 15553 1 96 124 VAL . 15553 1 97 125 GLN . 15553 1 98 126 TYR . 15553 1 99 127 ASP . 15553 1 100 128 CYS . 15553 1 101 129 VAL . 15553 1 102 130 PRO . 15553 1 103 131 TYR . 15553 1 104 132 LYS . 15553 1 105 133 VAL . 15553 1 106 134 GLU . 15553 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15553 1 . LEU 2 2 15553 1 . PRO 3 3 15553 1 . PHE 4 4 15553 1 . GLY 5 5 15553 1 . LEU 6 6 15553 1 . MET 7 7 15553 1 . ARG 8 8 15553 1 . ARG 9 9 15553 1 . GLU 10 10 15553 1 . LEU 11 11 15553 1 . ALA 12 12 15553 1 . CYS 13 13 15553 1 . GLU 14 14 15553 1 . GLY 15 15 15553 1 . TYR 16 16 15553 1 . PRO 17 17 15553 1 . ILE 18 18 15553 1 . GLU 19 19 15553 1 . LEU 20 20 15553 1 . ARG 21 21 15553 1 . CYS 22 22 15553 1 . PRO 23 23 15553 1 . GLY 24 24 15553 1 . SER 25 25 15553 1 . ASP 26 26 15553 1 . VAL 27 27 15553 1 . ILE 28 28 15553 1 . MET 29 29 15553 1 . VAL 30 30 15553 1 . GLU 31 31 15553 1 . ASN 32 32 15553 1 . ALA 33 33 15553 1 . ASN 34 34 15553 1 . TYR 35 35 15553 1 . GLY 36 36 15553 1 . ARG 37 37 15553 1 . THR 38 38 15553 1 . ASP 39 39 15553 1 . ASP 40 40 15553 1 . LYS 41 41 15553 1 . ILE 42 42 15553 1 . CYS 43 43 15553 1 . ASP 44 44 15553 1 . ALA 45 45 15553 1 . ASP 46 46 15553 1 . PRO 47 47 15553 1 . PHE 48 48 15553 1 . GLN 49 49 15553 1 . MET 50 50 15553 1 . GLU 51 51 15553 1 . ASN 52 52 15553 1 . VAL 53 53 15553 1 . GLN 54 54 15553 1 . CYS 55 55 15553 1 . TYR 56 56 15553 1 . LEU 57 57 15553 1 . PRO 58 58 15553 1 . ASP 59 59 15553 1 . ALA 60 60 15553 1 . PHE 61 61 15553 1 . LYS 62 62 15553 1 . ILE 63 63 15553 1 . MET 64 64 15553 1 . SER 65 65 15553 1 . GLN 66 66 15553 1 . ARG 67 67 15553 1 . CYS 68 68 15553 1 . ASN 69 69 15553 1 . ASN 70 70 15553 1 . ARG 71 71 15553 1 . THR 72 72 15553 1 . GLN 73 73 15553 1 . CYS 74 74 15553 1 . VAL 75 75 15553 1 . VAL 76 76 15553 1 . VAL 77 77 15553 1 . ALA 78 78 15553 1 . GLY 79 79 15553 1 . SER 80 80 15553 1 . ASP 81 81 15553 1 . ALA 82 82 15553 1 . PHE 83 83 15553 1 . PRO 84 84 15553 1 . ASP 85 85 15553 1 . PRO 86 86 15553 1 . CYS 87 87 15553 1 . PRO 88 88 15553 1 . GLY 89 89 15553 1 . THR 90 90 15553 1 . TYR 91 91 15553 1 . LYS 92 92 15553 1 . TYR 93 93 15553 1 . LEU 94 94 15553 1 . GLU 95 95 15553 1 . VAL 96 96 15553 1 . GLN 97 97 15553 1 . TYR 98 98 15553 1 . ASP 99 99 15553 1 . CYS 100 100 15553 1 . VAL 101 101 15553 1 . PRO 102 102 15553 1 . TYR 103 103 15553 1 . LYS 104 104 15553 1 . VAL 105 105 15553 1 . GLU 106 106 15553 1 stop_ save_ save_NAG _Entity.Sf_category entity _Entity.Sf_framecode NAG _Entity.Entry_ID 15553 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name NAG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID NAG _Entity.Nonpolymer_comp_label $chem_comp_NAG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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_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 . NAG . 15553 2 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 15553 _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 $Gal_lectin . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . Lphn1 . . . . 15553 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 15553 _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 $Gal_lectin . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris X-33 . . . . . . . . . . . . N/A . . N/A . . . 'Gene construct integrated in the genome at the AOX1 locus' . . 15553 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NAG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NAG _Chem_comp.Entry_ID 15553 _Chem_comp.ID NAG _Chem_comp.Provenance . _Chem_comp.Name N-ACETYL-D-GLUCOSAMINE _Chem_comp.Type D-SACCHARIDE _Chem_comp.BMRB_code . _Chem_comp.PDB_code NAG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-07-01 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NAG _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C8 H15 N O6' _Chem_comp.Formula_weight 221.208 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 8PCH _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 21 14:16:11 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(=O)NC1C(C(C(OC1O)CO)O)O SMILES 'OpenEye OEToolkits' 1.7.2 15553 NAG CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.2 15553 NAG CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O SMILES_CANONICAL CACTVS 3.370 15553 NAG CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O SMILES CACTVS 3.370 15553 NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 InChI InChI 1.03 15553 NAG O=C(NC1C(O)C(O)C(OC1O)CO)C SMILES ACDLabs 12.01 15553 NAG OVRNDRQMDRJTHS-FMDGEEDCSA-N InChIKey InChI 1.03 15553 NAG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 2-(acetylamino)-2-deoxy-beta-D-glucopyranose 'SYSTEMATIC NAME' ACDLabs 12.01 15553 NAG N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.2 15553 NAG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . R 0 . . . . no no . . . . 7.396 . 28.163 . 26.662 . 0.185 1.082 -0.421 1 . 15553 NAG C2 . C2 . . C . . R 0 . . . . no no . . . . 6.973 . 29.233 . 27.644 . 0.790 -0.220 0.112 2 . 15553 NAG C3 . C3 . . C . . R 0 . . . . no no . . . . 7.667 . 29.055 . 29.000 . -0.124 -1.390 -0.265 3 . 15553 NAG C4 . C4 . . C . . S 0 . . . . no no . . . . 7.573 . 27.588 . 29.490 . -1.526 -1.129 0.294 4 . 15553 NAG C5 . C5 . . C . . R 0 . . . . no no . . . . 7.902 . 26.592 . 28.373 . -2.042 0.207 -0.246 5 . 15553 NAG C6 . C6 . . C . . N 0 . . . . no no . . . . 7.599 . 25.173 . 28.797 . -3.417 0.504 0.355 6 . 15553 NAG C7 . C7 . . C . . N 0 . . . . no no . . . . 6.291 . 31.299 . 26.595 . 3.197 0.157 0.076 7 . 15553 NAG C8 . C8 . . C . . N 0 . . . . no no . . . . 6.684 . 32.649 . 26.036 . 4.559 -0.052 -0.533 8 . 15553 NAG N2 . N2 . . N . . N 0 . . . . no no . . . . 7.268 . 30.545 . 27.089 . 2.114 -0.422 -0.480 9 . 15553 NAG O1 . O1 . . O . . N 0 . . . . no yes . . . . 6.676 . 28.363 . 25.419 . 1.003 2.185 -0.024 10 . 15553 NAG O3 . O3 . . O . . N 0 . . . . no yes . . . . 7.038 . 29.909 . 29.947 . 0.395 -2.600 0.291 11 . 15553 NAG O4 . O4 . . O . . N 0 . . . . no no . . . . 8.494 . 27.358 . 30.574 . -2.405 -2.180 -0.114 12 . 15553 NAG O5 . O5 . . O . . N 0 . . . . no no . . . . 7.104 . 26.875 . 27.206 . -1.130 1.248 0.113 13 . 15553 NAG O6 . O6 . . O . . N 0 . . . . no no . . . . 6.232 . 25.040 . 29.165 . -3.949 1.691 -0.236 14 . 15553 NAG O7 . O7 . . O . . N 0 . . . . no no . . . . 5.114 . 30.936 . 26.562 . 3.074 0.845 1.067 15 . 15553 NAG H1 . H1 . . H . . N 0 . . . . no no . . . . 8.478 . 28.225 . 26.471 . 0.133 1.040 -1.509 16 . 15553 NAG H2 . H2 . . H . . N 0 . . . . no no . . . . 5.890 . 29.142 . 27.814 . 0.879 -0.163 1.197 17 . 15553 NAG H3 . H3 . . H . . N 0 . . . . no no . . . . 8.731 . 29.311 . 28.891 . -0.174 -1.478 -1.350 18 . 15553 NAG H4 . H4 . . H . . N 0 . . . . no no . . . . 6.536 . 27.433 . 29.822 . -1.483 -1.091 1.382 19 . 15553 NAG H5 . H5 . . H . . N 0 . . . . no no . . . . 8.975 . 26.694 . 28.151 . -2.123 0.154 -1.332 20 . 15553 NAG H61 . H61 . . H . . N 0 . . . . no no . . . . 7.813 . 24.494 . 27.959 . -4.088 -0.333 0.157 21 . 15553 NAG H62 . H62 . . H . . N 0 . . . . no no . . . . 8.230 . 24.913 . 29.659 . -3.320 0.645 1.431 22 . 15553 NAG H81 . H81 . . H . . N 0 . . . . no no . . . . 5.791 . 33.159 . 25.646 . 4.560 0.320 -1.558 23 . 15553 NAG H82 . H82 . . H . . N 0 . . . . no no . . . . 7.136 . 33.258 . 26.833 . 5.305 0.490 0.050 24 . 15553 NAG H83 . H83 . . H . . N 0 . . . . no no . . . . 7.411 . 32.511 . 25.222 . 4.799 -1.115 -0.532 25 . 15553 NAG HN2 . HN2 . . H . . N 0 . . . . no no . . . . 8.210 . 30.881 . 27.079 . 2.212 -0.973 -1.273 26 . 15553 NAG HO1 . HO1 . . H . . N 0 . . . . no no . . . . 6.933 . 27.696 . 24.793 . 0.679 3.044 -0.328 27 . 15553 NAG HO3 . HO3 . . H . . N 0 . . . . no no . . . . 7.459 . 29.809 . 30.793 . -0.135 -3.384 0.091 28 . 15553 NAG HO4 . HO4 . . H . . N 0 . . . . no no . . . . 8.425 . 26.456 . 30.863 . -3.312 -2.079 0.206 29 . 15553 NAG HO6 . HO6 . . H . . N 0 . . . . no no . . . . 6.060 . 24.143 . 29.428 . -4.822 1.940 0.099 30 . 15553 NAG stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 no N 1 . 15553 NAG 2 . SING C1 O1 no N 2 . 15553 NAG 3 . SING C1 O5 no N 3 . 15553 NAG 4 . SING C1 H1 no N 4 . 15553 NAG 5 . SING C2 C3 no N 5 . 15553 NAG 6 . SING C2 N2 no N 6 . 15553 NAG 7 . SING C2 H2 no N 7 . 15553 NAG 8 . SING C3 C4 no N 8 . 15553 NAG 9 . SING C3 O3 no N 9 . 15553 NAG 10 . SING C3 H3 no N 10 . 15553 NAG 11 . SING C4 C5 no N 11 . 15553 NAG 12 . SING C4 O4 no N 12 . 15553 NAG 13 . SING C4 H4 no N 13 . 15553 NAG 14 . SING C5 C6 no N 14 . 15553 NAG 15 . SING C5 O5 no N 15 . 15553 NAG 16 . SING C5 H5 no N 16 . 15553 NAG 17 . SING C6 O6 no N 17 . 15553 NAG 18 . SING C6 H61 no N 18 . 15553 NAG 19 . SING C6 H62 no N 19 . 15553 NAG 20 . SING C7 C8 no N 20 . 15553 NAG 21 . SING C7 N2 no N 21 . 15553 NAG 22 . DOUB C7 O7 no N 22 . 15553 NAG 23 . SING C8 H81 no N 23 . 15553 NAG 24 . SING C8 H82 no N 24 . 15553 NAG 25 . SING C8 H83 no N 25 . 15553 NAG 26 . SING N2 HN2 no N 26 . 15553 NAG 27 . SING O1 HO1 no N 27 . 15553 NAG 28 . SING O3 HO3 no N 28 . 15553 NAG 29 . SING O4 HO4 no N 29 . 15553 NAG 30 . SING O6 HO6 no N 30 . 15553 NAG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15553 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Gal_lectin '[U-100% 15N]' . . 1 $Gal_lectin . . 1-2 . . mM 0.1 . . . 15553 1 2 carbohydrate '[U-100% 15N]' . . 2 $NAG . . 1-2 . . mM 0.1 . . . 15553 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15553 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15553 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15553 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15553 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Gal_lectin '[U-100% 13C; U-100% 15N]' . . 1 $Gal_lectin . . 1-2 . . mM 0.1 . . . 15553 2 2 carbohydrate '[U-100% 13C; U-100% 15N]' . . 2 $NAG . . 1-2 . . mM 0.1 . . . 15553 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15553 2 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15553 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15553 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15553 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Gal_lectin '[U-100% 13C; U-100% 15N]' . . 1 $Gal_lectin . . 1-2 . . mM 0.1 . . . 15553 3 2 carbohydrate '[U-100% 13C; U-100% 15N]' . . 2 $NAG . . 1-2 . . mM 0.1 . . . 15553 3 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 15553 3 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15553 3 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15553 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15553 _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 'ionic strength' 30 3 mM 15553 1 pH 7 0.02 pH 15553 1 pressure 1 . atm 15553 1 temperature 303 0.1 K 15553 1 stop_ save_ ############################ # Computer software used # ############################ save_Omega _Software.Sf_category software _Software.Sf_framecode Omega _Software.Entry_ID 15553 _Software.ID 1 _Software.Name 'Omega Spectrometer Operating Software' _Software.Version 'Beta 6.0.3b2' _Software.Details 'Spectrometer control software' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID GE/Bruker . . 15553 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15553 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15553 _Software.ID 2 _Software.Name NMRPipe _Software.Version '2.4 Rev 2006.095.11.35' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15553 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15553 2 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 15553 _Software.ID 3 _Software.Name PIPP _Software.Version 4.3.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 15553 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15553 3 'peak picking' 15553 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15553 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Oxford Instruments supercon, GE instrument control computer, home-built RF and probes' _NMR_spectrometer.Manufacturer home-built _NMR_spectrometer.Model N/A _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15553 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Oxford Instruments supercon, GE instrument control computer, home-built RF and probes' _NMR_spectrometer.Manufacturer home-built _NMR_spectrometer.Model N/A _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15553 _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 home-built N/A . 600 'Oxford Instruments supercon, GE instrument control computer, home-built RF and probes' . . 15553 1 2 spectrometer_2 home-built N/A . 500 'Oxford Instruments supercon, GE instrument control computer, home-built RF and probes' . . 15553 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 15553 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15553 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15553 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15553 1 4 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15553 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15553 1 6 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15553 1 7 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15553 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15553 1 9 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15553 1 10 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15553 1 11 '4D 13C-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15553 1 12 '3D HACAHB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15553 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15553 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15553 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15553 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15553 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15553 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 'Digital resolution of spectra' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15553 1 2 '3D CBCA(CO)NH' . . . 15553 1 3 '3D HNCACB' . . . 15553 1 4 '3D C(CO)NH' . . . 15553 1 5 '2D 1H-13C HSQC' . . . 15553 1 6 '3D HCCH-COSY' . . . 15553 1 7 '3D HNHB' . . . 15553 1 8 '3D HBHA(CO)NH' . . . 15553 1 9 '3D H(CCO)NH' . . . 15553 1 10 '3D HNCO' . . . 15553 1 11 '4D 13C-13C NOESY' . . . 15553 1 12 '3D HACAHB' . . . 15553 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Omega . . 15553 1 2 $NMRPipe . . 15553 1 3 $PIPP . . 15553 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.55 0.02 . 1 . . . . 29 GLY HA2 . 15553 1 2 . 1 1 1 1 GLY HA3 H 1 3.55 0.02 . 1 . . . . 29 GLY HA3 . 15553 1 3 . 1 1 1 1 GLY CA C 13 44.41 0.10 . 1 . . . . 29 GLY CA . 15553 1 4 . 1 1 3 3 PRO HA H 1 4.41 0.02 . 1 . . . . 31 PRO HA . 15553 1 5 . 1 1 3 3 PRO HB2 H 1 1.93 0.02 . 1 . . . . 31 PRO HB2 . 15553 1 6 . 1 1 3 3 PRO HB3 H 1 2.19 0.02 . 1 . . . . 31 PRO HB3 . 15553 1 7 . 1 1 3 3 PRO HD2 H 1 3.59 0.02 . 1 . . . . 31 PRO HD2 . 15553 1 8 . 1 1 3 3 PRO HD3 H 1 3.78 0.02 . 1 . . . . 31 PRO HD3 . 15553 1 9 . 1 1 3 3 PRO HG2 H 1 1.96 0.02 . 1 . . . . 31 PRO HG2 . 15553 1 10 . 1 1 3 3 PRO HG3 H 1 1.96 0.02 . 1 . . . . 31 PRO HG3 . 15553 1 11 . 1 1 3 3 PRO C C 13 175.45 0.10 . 1 . . . . 31 PRO C . 15553 1 12 . 1 1 3 3 PRO CA C 13 63.52 0.10 . 1 . . . . 31 PRO CA . 15553 1 13 . 1 1 3 3 PRO CB C 13 31.63 0.10 . 1 . . . . 31 PRO CB . 15553 1 14 . 1 1 3 3 PRO CD C 13 50.50 0.10 . 1 . . . . 31 PRO CD . 15553 1 15 . 1 1 3 3 PRO CG C 13 27.16 0.10 . 1 . . . . 31 PRO CG . 15553 1 16 . 1 1 4 4 PHE H H 1 8.26 0.02 . 1 . . . . 32 PHE H . 15553 1 17 . 1 1 4 4 PHE HA H 1 4.51 0.02 . 1 . . . . 32 PHE HA . 15553 1 18 . 1 1 4 4 PHE CA C 13 58.72 0.10 . 1 . . . . 32 PHE CA . 15553 1 19 . 1 1 4 4 PHE CB C 13 40.16 0.10 . 1 . . . . 32 PHE CB . 15553 1 20 . 1 1 4 4 PHE N N 15 119.76 0.10 . 1 . . . . 32 PHE N . 15553 1 21 . 1 1 5 5 GLY H H 1 8.26 0.02 . 1 . . . . 33 GLY H . 15553 1 22 . 1 1 5 5 GLY HA2 H 1 3.83 0.02 . 1 . . . . 33 GLY HA2 . 15553 1 23 . 1 1 5 5 GLY HA3 H 1 3.93 0.02 . 1 . . . . 33 GLY HA3 . 15553 1 24 . 1 1 5 5 GLY CA C 13 43.55 0.10 . 1 . . . . 33 GLY CA . 15553 1 25 . 1 1 5 5 GLY N N 15 110.16 0.10 . 1 . . . . 33 GLY N . 15553 1 26 . 1 1 6 6 LEU H H 1 8.10 0.02 . 1 . . . . 34 LEU H . 15553 1 27 . 1 1 6 6 LEU HA H 1 4.36 0.02 . 1 . . . . 34 LEU HA . 15553 1 28 . 1 1 6 6 LEU HB2 H 1 1.58 0.02 . 1 . . . . 34 LEU HB2 . 15553 1 29 . 1 1 6 6 LEU HB3 H 1 1.58 0.02 . 1 . . . . 34 LEU HB3 . 15553 1 30 . 1 1 6 6 LEU HD11 H 1 0.87 0.02 . 1 . . . . 34 LEU HD1 . 15553 1 31 . 1 1 6 6 LEU HD12 H 1 0.87 0.02 . 1 . . . . 34 LEU HD1 . 15553 1 32 . 1 1 6 6 LEU HD13 H 1 0.87 0.02 . 1 . . . . 34 LEU HD1 . 15553 1 33 . 1 1 6 6 LEU HD21 H 1 0.93 0.02 . 1 . . . . 34 LEU HD2 . 15553 1 34 . 1 1 6 6 LEU HD22 H 1 0.93 0.02 . 1 . . . . 34 LEU HD2 . 15553 1 35 . 1 1 6 6 LEU HD23 H 1 0.93 0.02 . 1 . . . . 34 LEU HD2 . 15553 1 36 . 1 1 6 6 LEU HG H 1 1.58 0.02 . 1 . . . . 34 LEU HG . 15553 1 37 . 1 1 6 6 LEU C C 13 176.34 0.10 . 1 . . . . 34 LEU C . 15553 1 38 . 1 1 6 6 LEU CA C 13 55.03 0.10 . 1 . . . . 34 LEU CA . 15553 1 39 . 1 1 6 6 LEU CB C 13 42.59 0.10 . 1 . . . . 34 LEU CB . 15553 1 40 . 1 1 6 6 LEU CD1 C 13 24.18 0.10 . 1 . . . . 34 LEU CD1 . 15553 1 41 . 1 1 6 6 LEU CD2 C 13 24.59 0.10 . 1 . . . . 34 LEU CD2 . 15553 1 42 . 1 1 6 6 LEU CG C 13 26.99 0.10 . 1 . . . . 34 LEU CG . 15553 1 43 . 1 1 6 6 LEU N N 15 121.24 0.10 . 1 . . . . 34 LEU N . 15553 1 44 . 1 1 7 7 MET H H 1 7.97 0.02 . 1 . . . . 35 MET H . 15553 1 45 . 1 1 7 7 MET HA H 1 4.43 0.02 . 1 . . . . 35 MET HA . 15553 1 46 . 1 1 7 7 MET HB2 H 1 1.86 0.02 . 1 . . . . 35 MET HB2 . 15553 1 47 . 1 1 7 7 MET HB3 H 1 1.98 0.02 . 1 . . . . 35 MET HB3 . 15553 1 48 . 1 1 7 7 MET HE1 H 1 1.99 0.02 . 1 . . . . 35 MET HE . 15553 1 49 . 1 1 7 7 MET HE2 H 1 1.99 0.02 . 1 . . . . 35 MET HE . 15553 1 50 . 1 1 7 7 MET HE3 H 1 1.99 0.02 . 1 . . . . 35 MET HE . 15553 1 51 . 1 1 7 7 MET HG2 H 1 2.47 0.02 . 1 . . . . 35 MET HG2 . 15553 1 52 . 1 1 7 7 MET HG3 H 1 2.54 0.02 . 1 . . . . 35 MET HG3 . 15553 1 53 . 1 1 7 7 MET C C 13 176.18 0.10 . 1 . . . . 35 MET C . 15553 1 54 . 1 1 7 7 MET CA C 13 55.61 0.10 . 1 . . . . 35 MET CA . 15553 1 55 . 1 1 7 7 MET CB C 13 32.78 0.10 . 1 . . . . 35 MET CB . 15553 1 56 . 1 1 7 7 MET CE C 13 17.22 0.10 . 1 . . . . 35 MET CE . 15553 1 57 . 1 1 7 7 MET CG C 13 32.33 0.10 . 1 . . . . 35 MET CG . 15553 1 58 . 1 1 7 7 MET N N 15 121.72 0.10 . 1 . . . . 35 MET N . 15553 1 59 . 1 1 8 8 ARG H H 1 8.33 0.02 . 1 . . . . 36 ARG H . 15553 1 60 . 1 1 8 8 ARG HA H 1 4.32 0.02 . 1 . . . . 36 ARG HA . 15553 1 61 . 1 1 8 8 ARG HB2 H 1 0.56 0.02 . 1 . . . . 36 ARG HB2 . 15553 1 62 . 1 1 8 8 ARG HB3 H 1 1.42 0.02 . 1 . . . . 36 ARG HB3 . 15553 1 63 . 1 1 8 8 ARG HD2 H 1 2.96 0.02 . 1 . . . . 36 ARG HD2 . 15553 1 64 . 1 1 8 8 ARG HD3 H 1 2.96 0.02 . 1 . . . . 36 ARG HD3 . 15553 1 65 . 1 1 8 8 ARG HE H 1 7.29 0.02 . 1 . . . . 36 ARG HE . 15553 1 66 . 1 1 8 8 ARG HG2 H 1 1.47 0.02 . 1 . . . . 36 ARG HG2 . 15553 1 67 . 1 1 8 8 ARG HG3 H 1 1.47 0.02 . 1 . . . . 36 ARG HG3 . 15553 1 68 . 1 1 8 8 ARG C C 13 174.55 0.10 . 1 . . . . 36 ARG C . 15553 1 69 . 1 1 8 8 ARG CA C 13 55.74 0.10 . 1 . . . . 36 ARG CA . 15553 1 70 . 1 1 8 8 ARG CB C 13 31.44 0.10 . 1 . . . . 36 ARG CB . 15553 1 71 . 1 1 8 8 ARG CD C 13 43.96 0.10 . 1 . . . . 36 ARG CD . 15553 1 72 . 1 1 8 8 ARG CG C 13 28.10 0.10 . 1 . . . . 36 ARG CG . 15553 1 73 . 1 1 8 8 ARG N N 15 124.20 0.10 . 1 . . . . 36 ARG N . 15553 1 74 . 1 1 8 8 ARG NE N 15 87.08 0.10 . 1 . . . . 36 ARG NE . 15553 1 75 . 1 1 9 9 ARG H H 1 8.16 0.02 . 1 . . . . 37 ARG H . 15553 1 76 . 1 1 9 9 ARG HA H 1 5.63 0.02 . 1 . . . . 37 ARG HA . 15553 1 77 . 1 1 9 9 ARG HB2 H 1 1.78 0.02 . 1 . . . . 37 ARG HB2 . 15553 1 78 . 1 1 9 9 ARG HB3 H 1 1.74 0.02 . 1 . . . . 37 ARG HB3 . 15553 1 79 . 1 1 9 9 ARG HD2 H 1 3.15 0.02 . 1 . . . . 37 ARG HD2 . 15553 1 80 . 1 1 9 9 ARG HD3 H 1 3.15 0.02 . 1 . . . . 37 ARG HD3 . 15553 1 81 . 1 1 9 9 ARG HE H 1 7.43 0.02 . 1 . . . . 37 ARG HE . 15553 1 82 . 1 1 9 9 ARG HG2 H 1 1.45 0.02 . 1 . . . . 37 ARG HG2 . 15553 1 83 . 1 1 9 9 ARG HG3 H 1 1.60 0.02 . 1 . . . . 37 ARG HG3 . 15553 1 84 . 1 1 9 9 ARG C C 13 175.40 0.10 . 1 . . . . 37 ARG C . 15553 1 85 . 1 1 9 9 ARG CA C 13 54.80 0.10 . 1 . . . . 37 ARG CA . 15553 1 86 . 1 1 9 9 ARG CB C 13 33.71 0.10 . 1 . . . . 37 ARG CB . 15553 1 87 . 1 1 9 9 ARG CD C 13 43.77 0.10 . 1 . . . . 37 ARG CD . 15553 1 88 . 1 1 9 9 ARG CG C 13 27.66 0.10 . 1 . . . . 37 ARG CG . 15553 1 89 . 1 1 9 9 ARG N N 15 120.96 0.10 . 1 . . . . 37 ARG N . 15553 1 90 . 1 1 9 9 ARG NE N 15 84.78 0.10 . 1 . . . . 37 ARG NE . 15553 1 91 . 1 1 10 10 GLU H H 1 8.90 0.02 . 1 . . . . 38 GLU H . 15553 1 92 . 1 1 10 10 GLU HA H 1 4.88 0.02 . 1 . . . . 38 GLU HA . 15553 1 93 . 1 1 10 10 GLU HB2 H 1 1.60 0.02 . 1 . . . . 38 GLU HB2 . 15553 1 94 . 1 1 10 10 GLU HB3 H 1 2.17 0.02 . 1 . . . . 38 GLU HB3 . 15553 1 95 . 1 1 10 10 GLU HG2 H 1 2.66 0.02 . 1 . . . . 38 GLU HG2 . 15553 1 96 . 1 1 10 10 GLU HG3 H 1 2.50 0.02 . 1 . . . . 38 GLU HG3 . 15553 1 97 . 1 1 10 10 GLU C C 13 173.90 0.10 . 1 . . . . 38 GLU C . 15553 1 98 . 1 1 10 10 GLU CA C 13 54.24 0.10 . 1 . . . . 38 GLU CA . 15553 1 99 . 1 1 10 10 GLU CB C 13 34.93 0.10 . 1 . . . . 38 GLU CB . 15553 1 100 . 1 1 10 10 GLU CG C 13 35.92 0.10 . 1 . . . . 38 GLU CG . 15553 1 101 . 1 1 10 10 GLU N N 15 122.77 0.10 . 1 . . . . 38 GLU N . 15553 1 102 . 1 1 11 11 LEU H H 1 8.66 0.02 . 1 . . . . 39 LEU H . 15553 1 103 . 1 1 11 11 LEU HA H 1 5.66 0.02 . 1 . . . . 39 LEU HA . 15553 1 104 . 1 1 11 11 LEU HB2 H 1 1.54 0.02 . 1 . . . . 39 LEU HB2 . 15553 1 105 . 1 1 11 11 LEU HB3 H 1 1.54 0.02 . 1 . . . . 39 LEU HB3 . 15553 1 106 . 1 1 11 11 LEU HD11 H 1 0.66 0.02 . 1 . . . . 39 LEU HD1 . 15553 1 107 . 1 1 11 11 LEU HD12 H 1 0.66 0.02 . 1 . . . . 39 LEU HD1 . 15553 1 108 . 1 1 11 11 LEU HD13 H 1 0.66 0.02 . 1 . . . . 39 LEU HD1 . 15553 1 109 . 1 1 11 11 LEU HD21 H 1 0.62 0.02 . 1 . . . . 39 LEU HD2 . 15553 1 110 . 1 1 11 11 LEU HD22 H 1 0.62 0.02 . 1 . . . . 39 LEU HD2 . 15553 1 111 . 1 1 11 11 LEU HD23 H 1 0.62 0.02 . 1 . . . . 39 LEU HD2 . 15553 1 112 . 1 1 11 11 LEU HG H 1 1.53 0.02 . 1 . . . . 39 LEU HG . 15553 1 113 . 1 1 11 11 LEU C C 13 176.03 0.10 . 1 . . . . 39 LEU C . 15553 1 114 . 1 1 11 11 LEU CA C 13 54.74 0.10 . 1 . . . . 39 LEU CA . 15553 1 115 . 1 1 11 11 LEU CB C 13 46.80 0.10 . 1 . . . . 39 LEU CB . 15553 1 116 . 1 1 11 11 LEU CD1 C 13 26.31 0.10 . 1 . . . . 39 LEU CD1 . 15553 1 117 . 1 1 11 11 LEU CD2 C 13 25.19 0.10 . 1 . . . . 39 LEU CD2 . 15553 1 118 . 1 1 11 11 LEU CG C 13 27.86 0.10 . 1 . . . . 39 LEU CG . 15553 1 119 . 1 1 11 11 LEU N N 15 124.18 0.10 . 1 . . . . 39 LEU N . 15553 1 120 . 1 1 12 12 ALA H H 1 9.27 0.02 . 1 . . . . 40 ALA H . 15553 1 121 . 1 1 12 12 ALA HA H 1 4.80 0.02 . 1 . . . . 40 ALA HA . 15553 1 122 . 1 1 12 12 ALA HB1 H 1 1.33 0.02 . 1 . . . . 40 ALA HB . 15553 1 123 . 1 1 12 12 ALA HB2 H 1 1.33 0.02 . 1 . . . . 40 ALA HB . 15553 1 124 . 1 1 12 12 ALA HB3 H 1 1.33 0.02 . 1 . . . . 40 ALA HB . 15553 1 125 . 1 1 12 12 ALA C C 13 175.55 0.10 . 1 . . . . 40 ALA C . 15553 1 126 . 1 1 12 12 ALA CA C 13 51.21 0.10 . 1 . . . . 40 ALA CA . 15553 1 127 . 1 1 12 12 ALA CB C 13 23.43 0.10 . 1 . . . . 40 ALA CB . 15553 1 128 . 1 1 12 12 ALA N N 15 127.06 0.10 . 1 . . . . 40 ALA N . 15553 1 129 . 1 1 13 13 CYS H H 1 9.03 0.02 . 1 . . . . 41 CYS H . 15553 1 130 . 1 1 13 13 CYS HA H 1 4.83 0.02 . 1 . . . . 41 CYS HA . 15553 1 131 . 1 1 13 13 CYS HB2 H 1 2.63 0.02 . 1 . . . . 41 CYS HB2 . 15553 1 132 . 1 1 13 13 CYS HB3 H 1 3.66 0.02 . 1 . . . . 41 CYS HB3 . 15553 1 133 . 1 1 13 13 CYS C C 13 173.62 0.10 . 1 . . . . 41 CYS C . 15553 1 134 . 1 1 13 13 CYS CA C 13 53.75 0.10 . 1 . . . . 41 CYS CA . 15553 1 135 . 1 1 13 13 CYS CB C 13 37.68 0.10 . 1 . . . . 41 CYS CB . 15553 1 136 . 1 1 13 13 CYS N N 15 121.14 0.10 . 1 . . . . 41 CYS N . 15553 1 137 . 1 1 14 14 GLU H H 1 8.27 0.02 . 1 . . . . 42 GLU H . 15553 1 138 . 1 1 14 14 GLU HA H 1 4.11 0.02 . 1 . . . . 42 GLU HA . 15553 1 139 . 1 1 14 14 GLU HB2 H 1 1.70 0.02 . 1 . . . . 42 GLU HB2 . 15553 1 140 . 1 1 14 14 GLU HB3 H 1 1.70 0.02 . 1 . . . . 42 GLU HB3 . 15553 1 141 . 1 1 14 14 GLU HG2 H 1 2.15 0.02 . 1 . . . . 42 GLU HG2 . 15553 1 142 . 1 1 14 14 GLU HG3 H 1 2.46 0.02 . 1 . . . . 42 GLU HG3 . 15553 1 143 . 1 1 14 14 GLU C C 13 177.46 0.10 . 1 . . . . 42 GLU C . 15553 1 144 . 1 1 14 14 GLU CA C 13 58.58 0.10 . 1 . . . . 42 GLU CA . 15553 1 145 . 1 1 14 14 GLU CB C 13 29.24 0.10 . 1 . . . . 42 GLU CB . 15553 1 146 . 1 1 14 14 GLU CG C 13 35.10 0.10 . 1 . . . . 42 GLU CG . 15553 1 147 . 1 1 14 14 GLU N N 15 120.83 0.10 . 1 . . . . 42 GLU N . 15553 1 148 . 1 1 15 15 GLY H H 1 9.36 0.02 . 1 . . . . 43 GLY H . 15553 1 149 . 1 1 15 15 GLY HA2 H 1 3.61 0.02 . 1 . . . . 43 GLY HA2 . 15553 1 150 . 1 1 15 15 GLY HA3 H 1 4.35 0.02 . 1 . . . . 43 GLY HA3 . 15553 1 151 . 1 1 15 15 GLY C C 13 173.86 0.10 . 1 . . . . 43 GLY C . 15553 1 152 . 1 1 15 15 GLY CA C 13 44.34 0.10 . 1 . . . . 43 GLY CA . 15553 1 153 . 1 1 15 15 GLY N N 15 114.32 0.10 . 1 . . . . 43 GLY N . 15553 1 154 . 1 1 16 16 TYR H H 1 8.62 0.02 . 1 . . . . 44 TYR H . 15553 1 155 . 1 1 16 16 TYR HA H 1 4.87 0.02 . 1 . . . . 44 TYR HA . 15553 1 156 . 1 1 16 16 TYR HB2 H 1 3.36 0.02 . 1 . . . . 44 TYR HB2 . 15553 1 157 . 1 1 16 16 TYR HB3 H 1 3.16 0.02 . 1 . . . . 44 TYR HB3 . 15553 1 158 . 1 1 16 16 TYR HD1 H 1 7.16 0.02 . 3 . . . . 44 TYR HD1 . 15553 1 159 . 1 1 16 16 TYR HD2 H 1 7.16 0.02 . 3 . . . . 44 TYR HD2 . 15553 1 160 . 1 1 16 16 TYR HE1 H 1 6.91 0.02 . 3 . . . . 44 TYR HE1 . 15553 1 161 . 1 1 16 16 TYR HE2 H 1 6.91 0.02 . 3 . . . . 44 TYR HE2 . 15553 1 162 . 1 1 16 16 TYR CA C 13 56.55 0.10 . 1 . . . . 44 TYR CA . 15553 1 163 . 1 1 16 16 TYR CB C 13 38.45 0.10 . 1 . . . . 44 TYR CB . 15553 1 164 . 1 1 16 16 TYR CD1 C 13 133.40 0.10 . 3 . . . . 44 TYR CD1 . 15553 1 165 . 1 1 16 16 TYR CD2 C 13 133.40 0.10 . 3 . . . . 44 TYR CD2 . 15553 1 166 . 1 1 16 16 TYR CE1 C 13 118.10 0.10 . 3 . . . . 44 TYR CE1 . 15553 1 167 . 1 1 16 16 TYR CE2 C 13 118.10 0.10 . 3 . . . . 44 TYR CE2 . 15553 1 168 . 1 1 16 16 TYR N N 15 120.68 0.10 . 1 . . . . 44 TYR N . 15553 1 169 . 1 1 17 17 PRO HA H 1 4.95 0.02 . 1 . . . . 45 PRO HA . 15553 1 170 . 1 1 17 17 PRO HB2 H 1 1.96 0.02 . 1 . . . . 45 PRO HB2 . 15553 1 171 . 1 1 17 17 PRO HB3 H 1 1.75 0.02 . 1 . . . . 45 PRO HB3 . 15553 1 172 . 1 1 17 17 PRO HD2 H 1 4.02 0.02 . 1 . . . . 45 PRO HD2 . 15553 1 173 . 1 1 17 17 PRO HD3 H 1 3.91 0.02 . 1 . . . . 45 PRO HD3 . 15553 1 174 . 1 1 17 17 PRO HG2 H 1 2.08 0.02 . 1 . . . . 45 PRO HG2 . 15553 1 175 . 1 1 17 17 PRO HG3 H 1 2.26 0.02 . 1 . . . . 45 PRO HG3 . 15553 1 176 . 1 1 17 17 PRO C C 13 176.15 0.10 . 1 . . . . 45 PRO C . 15553 1 177 . 1 1 17 17 PRO CA C 13 61.86 0.10 . 1 . . . . 45 PRO CA . 15553 1 178 . 1 1 17 17 PRO CB C 13 32.02 0.10 . 1 . . . . 45 PRO CB . 15553 1 179 . 1 1 17 17 PRO CD C 13 50.60 0.10 . 1 . . . . 45 PRO CD . 15553 1 180 . 1 1 17 17 PRO CG C 13 27.11 0.10 . 1 . . . . 45 PRO CG . 15553 1 181 . 1 1 18 18 ILE H H 1 9.20 0.02 . 1 . . . . 46 ILE H . 15553 1 182 . 1 1 18 18 ILE HA H 1 4.55 0.02 . 1 . . . . 46 ILE HA . 15553 1 183 . 1 1 18 18 ILE HB H 1 1.54 0.02 . 1 . . . . 46 ILE HB . 15553 1 184 . 1 1 18 18 ILE HD11 H 1 0.73 0.02 . 1 . . . . 46 ILE HD1 . 15553 1 185 . 1 1 18 18 ILE HD12 H 1 0.73 0.02 . 1 . . . . 46 ILE HD1 . 15553 1 186 . 1 1 18 18 ILE HD13 H 1 0.73 0.02 . 1 . . . . 46 ILE HD1 . 15553 1 187 . 1 1 18 18 ILE HG12 H 1 1.57 0.02 . 1 . . . . 46 ILE HG12 . 15553 1 188 . 1 1 18 18 ILE HG13 H 1 1.03 0.02 . 1 . . . . 46 ILE HG13 . 15553 1 189 . 1 1 18 18 ILE HG21 H 1 0.90 0.02 . 1 . . . . 46 ILE HG2 . 15553 1 190 . 1 1 18 18 ILE HG22 H 1 0.90 0.02 . 1 . . . . 46 ILE HG2 . 15553 1 191 . 1 1 18 18 ILE HG23 H 1 0.90 0.02 . 1 . . . . 46 ILE HG2 . 15553 1 192 . 1 1 18 18 ILE C C 13 171.94 0.10 . 1 . . . . 46 ILE C . 15553 1 193 . 1 1 18 18 ILE CA C 13 59.73 0.10 . 1 . . . . 46 ILE CA . 15553 1 194 . 1 1 18 18 ILE CB C 13 41.89 0.10 . 1 . . . . 46 ILE CB . 15553 1 195 . 1 1 18 18 ILE CD1 C 13 15.17 0.10 . 1 . . . . 46 ILE CD1 . 15553 1 196 . 1 1 18 18 ILE CG1 C 13 30.97 0.10 . 1 . . . . 46 ILE CG1 . 15553 1 197 . 1 1 18 18 ILE CG2 C 13 16.67 0.10 . 1 . . . . 46 ILE CG2 . 15553 1 198 . 1 1 18 18 ILE N N 15 125.73 0.10 . 1 . . . . 46 ILE N . 15553 1 199 . 1 1 19 19 GLU H H 1 8.47 0.02 . 1 . . . . 47 GLU H . 15553 1 200 . 1 1 19 19 GLU HA H 1 5.14 0.02 . 1 . . . . 47 GLU HA . 15553 1 201 . 1 1 19 19 GLU HB2 H 1 1.82 0.02 . 1 . . . . 47 GLU HB2 . 15553 1 202 . 1 1 19 19 GLU HB3 H 1 1.90 0.02 . 1 . . . . 47 GLU HB3 . 15553 1 203 . 1 1 19 19 GLU HG2 H 1 1.86 0.02 . 1 . . . . 47 GLU HG2 . 15553 1 204 . 1 1 19 19 GLU HG3 H 1 2.06 0.02 . 1 . . . . 47 GLU HG3 . 15553 1 205 . 1 1 19 19 GLU C C 13 174.79 0.10 . 1 . . . . 47 GLU C . 15553 1 206 . 1 1 19 19 GLU CA C 13 54.54 0.10 . 1 . . . . 47 GLU CA . 15553 1 207 . 1 1 19 19 GLU CB C 13 31.94 0.10 . 1 . . . . 47 GLU CB . 15553 1 208 . 1 1 19 19 GLU CG C 13 36.75 0.10 . 1 . . . . 47 GLU CG . 15553 1 209 . 1 1 19 19 GLU N N 15 125.50 0.10 . 1 . . . . 47 GLU N . 15553 1 210 . 1 1 20 20 LEU H H 1 8.58 0.02 . 1 . . . . 48 LEU H . 15553 1 211 . 1 1 20 20 LEU HA H 1 4.36 0.02 . 1 . . . . 48 LEU HA . 15553 1 212 . 1 1 20 20 LEU HB2 H 1 1.52 0.02 . 1 . . . . 48 LEU HB2 . 15553 1 213 . 1 1 20 20 LEU HB3 H 1 0.31 0.02 . 1 . . . . 48 LEU HB3 . 15553 1 214 . 1 1 20 20 LEU HD11 H 1 0.43 0.02 . 1 . . . . 48 LEU HD1 . 15553 1 215 . 1 1 20 20 LEU HD12 H 1 0.43 0.02 . 1 . . . . 48 LEU HD1 . 15553 1 216 . 1 1 20 20 LEU HD13 H 1 0.43 0.02 . 1 . . . . 48 LEU HD1 . 15553 1 217 . 1 1 20 20 LEU HD21 H 1 0.29 0.02 . 1 . . . . 48 LEU HD2 . 15553 1 218 . 1 1 20 20 LEU HD22 H 1 0.29 0.02 . 1 . . . . 48 LEU HD2 . 15553 1 219 . 1 1 20 20 LEU HD23 H 1 0.29 0.02 . 1 . . . . 48 LEU HD2 . 15553 1 220 . 1 1 20 20 LEU HG H 1 1.21 0.02 . 1 . . . . 48 LEU HG . 15553 1 221 . 1 1 20 20 LEU C C 13 175.69 0.10 . 1 . . . . 48 LEU C . 15553 1 222 . 1 1 20 20 LEU CA C 13 53.86 0.10 . 1 . . . . 48 LEU CA . 15553 1 223 . 1 1 20 20 LEU CB C 13 41.32 0.10 . 1 . . . . 48 LEU CB . 15553 1 224 . 1 1 20 20 LEU CD1 C 13 25.60 0.10 . 1 . . . . 48 LEU CD1 . 15553 1 225 . 1 1 20 20 LEU CD2 C 13 23.95 0.10 . 1 . . . . 48 LEU CD2 . 15553 1 226 . 1 1 20 20 LEU CG C 13 28.29 0.10 . 1 . . . . 48 LEU CG . 15553 1 227 . 1 1 20 20 LEU N N 15 126.21 0.10 . 1 . . . . 48 LEU N . 15553 1 228 . 1 1 21 21 ARG H H 1 8.05 0.02 . 1 . . . . 49 ARG H . 15553 1 229 . 1 1 21 21 ARG HA H 1 5.09 0.02 . 1 . . . . 49 ARG HA . 15553 1 230 . 1 1 21 21 ARG HB2 H 1 1.78 0.02 . 1 . . . . 49 ARG HB2 . 15553 1 231 . 1 1 21 21 ARG HB3 H 1 1.78 0.02 . 1 . . . . 49 ARG HB3 . 15553 1 232 . 1 1 21 21 ARG HD2 H 1 3.12 0.02 . 1 . . . . 49 ARG HD2 . 15553 1 233 . 1 1 21 21 ARG HD3 H 1 3.16 0.02 . 1 . . . . 49 ARG HD3 . 15553 1 234 . 1 1 21 21 ARG HE H 1 7.19 0.02 . 1 . . . . 49 ARG HE . 15553 1 235 . 1 1 21 21 ARG HG2 H 1 1.52 0.02 . 1 . . . . 49 ARG HG2 . 15553 1 236 . 1 1 21 21 ARG HG3 H 1 1.52 0.02 . 1 . . . . 49 ARG HG3 . 15553 1 237 . 1 1 21 21 ARG C C 13 174.70 0.10 . 1 . . . . 49 ARG C . 15553 1 238 . 1 1 21 21 ARG CA C 13 56.03 0.10 . 1 . . . . 49 ARG CA . 15553 1 239 . 1 1 21 21 ARG CB C 13 34.03 0.10 . 1 . . . . 49 ARG CB . 15553 1 240 . 1 1 21 21 ARG CD C 13 43.57 0.10 . 1 . . . . 49 ARG CD . 15553 1 241 . 1 1 21 21 ARG CG C 13 27.54 0.10 . 1 . . . . 49 ARG CG . 15553 1 242 . 1 1 21 21 ARG N N 15 119.07 0.10 . 1 . . . . 49 ARG N . 15553 1 243 . 1 1 21 21 ARG NE N 15 84.45 0.10 . 1 . . . . 49 ARG NE . 15553 1 244 . 1 1 22 22 CYS H H 1 8.70 0.02 . 1 . . . . 50 CYS H . 15553 1 245 . 1 1 22 22 CYS HA H 1 5.40 0.02 . 1 . . . . 50 CYS HA . 15553 1 246 . 1 1 22 22 CYS HB2 H 1 2.67 0.02 . 1 . . . . 50 CYS HB2 . 15553 1 247 . 1 1 22 22 CYS HB3 H 1 2.74 0.02 . 1 . . . . 50 CYS HB3 . 15553 1 248 . 1 1 22 22 CYS CA C 13 52.12 0.10 . 1 . . . . 50 CYS CA . 15553 1 249 . 1 1 22 22 CYS CB C 13 41.04 0.10 . 1 . . . . 50 CYS CB . 15553 1 250 . 1 1 22 22 CYS N N 15 122.91 0.10 . 1 . . . . 50 CYS N . 15553 1 251 . 1 1 23 23 PRO HA H 1 4.57 0.02 . 1 . . . . 51 PRO HA . 15553 1 252 . 1 1 23 23 PRO HB2 H 1 2.22 0.02 . 1 . . . . 51 PRO HB2 . 15553 1 253 . 1 1 23 23 PRO HB3 H 1 1.98 0.02 . 1 . . . . 51 PRO HB3 . 15553 1 254 . 1 1 23 23 PRO HD2 H 1 3.72 0.02 . 1 . . . . 51 PRO HD2 . 15553 1 255 . 1 1 23 23 PRO HD3 H 1 3.83 0.02 . 1 . . . . 51 PRO HD3 . 15553 1 256 . 1 1 23 23 PRO HG2 H 1 2.02 0.02 . 1 . . . . 51 PRO HG2 . 15553 1 257 . 1 1 23 23 PRO HG3 H 1 2.14 0.02 . 1 . . . . 51 PRO HG3 . 15553 1 258 . 1 1 23 23 PRO C C 13 176.67 0.10 . 1 . . . . 51 PRO C . 15553 1 259 . 1 1 23 23 PRO CA C 13 62.05 0.10 . 1 . . . . 51 PRO CA . 15553 1 260 . 1 1 23 23 PRO CB C 13 32.48 0.10 . 1 . . . . 51 PRO CB . 15553 1 261 . 1 1 23 23 PRO CD C 13 50.54 0.10 . 1 . . . . 51 PRO CD . 15553 1 262 . 1 1 23 23 PRO CG C 13 27.11 0.10 . 1 . . . . 51 PRO CG . 15553 1 263 . 1 1 24 24 GLY H H 1 8.29 0.02 . 1 . . . . 52 GLY H . 15553 1 264 . 1 1 24 24 GLY HA2 H 1 3.70 0.02 . 1 . . . . 52 GLY HA2 . 15553 1 265 . 1 1 24 24 GLY HA3 H 1 3.89 0.02 . 1 . . . . 52 GLY HA3 . 15553 1 266 . 1 1 24 24 GLY C C 13 174.75 0.10 . 1 . . . . 52 GLY C . 15553 1 267 . 1 1 24 24 GLY CA C 13 47.41 0.10 . 1 . . . . 52 GLY CA . 15553 1 268 . 1 1 24 24 GLY N N 15 106.21 0.10 . 1 . . . . 52 GLY N . 15553 1 269 . 1 1 25 25 SER H H 1 8.77 0.02 . 1 . . . . 53 SER H . 15553 1 270 . 1 1 25 25 SER HA H 1 4.55 0.02 . 1 . . . . 53 SER HA . 15553 1 271 . 1 1 25 25 SER HB2 H 1 4.05 0.02 . 1 . . . . 53 SER HB2 . 15553 1 272 . 1 1 25 25 SER HB3 H 1 3.79 0.02 . 1 . . . . 53 SER HB3 . 15553 1 273 . 1 1 25 25 SER C C 13 174.15 0.10 . 1 . . . . 53 SER C . 15553 1 274 . 1 1 25 25 SER CA C 13 57.21 0.10 . 1 . . . . 53 SER CA . 15553 1 275 . 1 1 25 25 SER CB C 13 64.03 0.10 . 1 . . . . 53 SER CB . 15553 1 276 . 1 1 25 25 SER N N 15 120.59 0.10 . 1 . . . . 53 SER N . 15553 1 277 . 1 1 26 26 ASP H H 1 7.97 0.02 . 1 . . . . 54 ASP H . 15553 1 278 . 1 1 26 26 ASP HA H 1 4.68 0.02 . 1 . . . . 54 ASP HA . 15553 1 279 . 1 1 26 26 ASP HB2 H 1 2.75 0.02 . 1 . . . . 54 ASP HB2 . 15553 1 280 . 1 1 26 26 ASP HB3 H 1 2.37 0.02 . 1 . . . . 54 ASP HB3 . 15553 1 281 . 1 1 26 26 ASP C C 13 174.59 0.10 . 1 . . . . 54 ASP C . 15553 1 282 . 1 1 26 26 ASP CA C 13 54.88 0.10 . 1 . . . . 54 ASP CA . 15553 1 283 . 1 1 26 26 ASP CB C 13 41.63 0.10 . 1 . . . . 54 ASP CB . 15553 1 284 . 1 1 26 26 ASP N N 15 124.17 0.10 . 1 . . . . 54 ASP N . 15553 1 285 . 1 1 27 27 VAL H H 1 9.10 0.02 . 1 . . . . 55 VAL H . 15553 1 286 . 1 1 27 27 VAL HA H 1 4.65 0.02 . 1 . . . . 55 VAL HA . 15553 1 287 . 1 1 27 27 VAL HB H 1 1.65 0.02 . 1 . . . . 55 VAL HB . 15553 1 288 . 1 1 27 27 VAL HG11 H 1 0.66 0.02 . 1 . . . . 55 VAL HG1 . 15553 1 289 . 1 1 27 27 VAL HG12 H 1 0.66 0.02 . 1 . . . . 55 VAL HG1 . 15553 1 290 . 1 1 27 27 VAL HG13 H 1 0.66 0.02 . 1 . . . . 55 VAL HG1 . 15553 1 291 . 1 1 27 27 VAL HG21 H 1 0.87 0.02 . 1 . . . . 55 VAL HG2 . 15553 1 292 . 1 1 27 27 VAL HG22 H 1 0.87 0.02 . 1 . . . . 55 VAL HG2 . 15553 1 293 . 1 1 27 27 VAL HG23 H 1 0.87 0.02 . 1 . . . . 55 VAL HG2 . 15553 1 294 . 1 1 27 27 VAL C C 13 175.32 0.10 . 1 . . . . 55 VAL C . 15553 1 295 . 1 1 27 27 VAL CA C 13 58.51 0.10 . 1 . . . . 55 VAL CA . 15553 1 296 . 1 1 27 27 VAL CB C 13 36.60 0.10 . 1 . . . . 55 VAL CB . 15553 1 297 . 1 1 27 27 VAL CG1 C 13 21.80 0.10 . 1 . . . . 55 VAL CG1 . 15553 1 298 . 1 1 27 27 VAL CG2 C 13 18.14 0.10 . 1 . . . . 55 VAL CG2 . 15553 1 299 . 1 1 27 27 VAL N N 15 107.83 0.10 . 1 . . . . 55 VAL N . 15553 1 300 . 1 1 28 28 ILE H H 1 8.50 0.02 . 1 . . . . 56 ILE H . 15553 1 301 . 1 1 28 28 ILE HA H 1 4.22 0.02 . 1 . . . . 56 ILE HA . 15553 1 302 . 1 1 28 28 ILE HB H 1 1.99 0.02 . 1 . . . . 56 ILE HB . 15553 1 303 . 1 1 28 28 ILE HD11 H 1 0.45 0.02 . 1 . . . . 56 ILE HD1 . 15553 1 304 . 1 1 28 28 ILE HD12 H 1 0.45 0.02 . 1 . . . . 56 ILE HD1 . 15553 1 305 . 1 1 28 28 ILE HD13 H 1 0.45 0.02 . 1 . . . . 56 ILE HD1 . 15553 1 306 . 1 1 28 28 ILE HG12 H 1 0.72 0.02 . 1 . . . . 56 ILE HG12 . 15553 1 307 . 1 1 28 28 ILE HG13 H 1 1.78 0.02 . 1 . . . . 56 ILE HG13 . 15553 1 308 . 1 1 28 28 ILE HG21 H 1 0.60 0.02 . 1 . . . . 56 ILE HG2 . 15553 1 309 . 1 1 28 28 ILE HG22 H 1 0.60 0.02 . 1 . . . . 56 ILE HG2 . 15553 1 310 . 1 1 28 28 ILE HG23 H 1 0.60 0.02 . 1 . . . . 56 ILE HG2 . 15553 1 311 . 1 1 28 28 ILE C C 13 177.51 0.10 . 1 . . . . 56 ILE C . 15553 1 312 . 1 1 28 28 ILE CA C 13 62.52 0.10 . 1 . . . . 56 ILE CA . 15553 1 313 . 1 1 28 28 ILE CB C 13 39.72 0.10 . 1 . . . . 56 ILE CB . 15553 1 314 . 1 1 28 28 ILE CD1 C 13 16.45 0.10 . 1 . . . . 56 ILE CD1 . 15553 1 315 . 1 1 28 28 ILE CG1 C 13 30.67 0.10 . 1 . . . . 56 ILE CG1 . 15553 1 316 . 1 1 28 28 ILE CG2 C 13 18.68 0.10 . 1 . . . . 56 ILE CG2 . 15553 1 317 . 1 1 28 28 ILE N N 15 121.58 0.10 . 1 . . . . 56 ILE N . 15553 1 318 . 1 1 29 29 MET H H 1 8.73 0.02 . 1 . . . . 57 MET H . 15553 1 319 . 1 1 29 29 MET HA H 1 4.75 0.02 . 1 . . . . 57 MET HA . 15553 1 320 . 1 1 29 29 MET HB2 H 1 2.01 0.02 . 1 . . . . 57 MET HB2 . 15553 1 321 . 1 1 29 29 MET HB3 H 1 1.81 0.02 . 1 . . . . 57 MET HB3 . 15553 1 322 . 1 1 29 29 MET HE1 H 1 2.11 0.02 . 1 . . . . 57 MET HE . 15553 1 323 . 1 1 29 29 MET HE2 H 1 2.11 0.02 . 1 . . . . 57 MET HE . 15553 1 324 . 1 1 29 29 MET HE3 H 1 2.11 0.02 . 1 . . . . 57 MET HE . 15553 1 325 . 1 1 29 29 MET HG2 H 1 2.47 0.02 . 1 . . . . 57 MET HG2 . 15553 1 326 . 1 1 29 29 MET HG3 H 1 2.47 0.02 . 1 . . . . 57 MET HG3 . 15553 1 327 . 1 1 29 29 MET C C 13 176.02 0.10 . 1 . . . . 57 MET C . 15553 1 328 . 1 1 29 29 MET CA C 13 54.33 0.10 . 1 . . . . 57 MET CA . 15553 1 329 . 1 1 29 29 MET CB C 13 34.40 0.10 . 1 . . . . 57 MET CB . 15553 1 330 . 1 1 29 29 MET CE C 13 17.09 0.10 . 1 . . . . 57 MET CE . 15553 1 331 . 1 1 29 29 MET CG C 13 32.34 0.10 . 1 . . . . 57 MET CG . 15553 1 332 . 1 1 29 29 MET N N 15 125.77 0.10 . 1 . . . . 57 MET N . 15553 1 333 . 1 1 30 30 VAL H H 1 9.68 0.02 . 1 . . . . 58 VAL H . 15553 1 334 . 1 1 30 30 VAL HA H 1 3.71 0.02 . 1 . . . . 58 VAL HA . 15553 1 335 . 1 1 30 30 VAL HB H 1 2.09 0.02 . 1 . . . . 58 VAL HB . 15553 1 336 . 1 1 30 30 VAL HG11 H 1 0.93 0.02 . 1 . . . . 58 VAL HG1 . 15553 1 337 . 1 1 30 30 VAL HG12 H 1 0.93 0.02 . 1 . . . . 58 VAL HG1 . 15553 1 338 . 1 1 30 30 VAL HG13 H 1 0.93 0.02 . 1 . . . . 58 VAL HG1 . 15553 1 339 . 1 1 30 30 VAL HG21 H 1 0.69 0.02 . 1 . . . . 58 VAL HG2 . 15553 1 340 . 1 1 30 30 VAL HG22 H 1 0.69 0.02 . 1 . . . . 58 VAL HG2 . 15553 1 341 . 1 1 30 30 VAL HG23 H 1 0.69 0.02 . 1 . . . . 58 VAL HG2 . 15553 1 342 . 1 1 30 30 VAL C C 13 175.44 0.10 . 1 . . . . 58 VAL C . 15553 1 343 . 1 1 30 30 VAL CA C 13 65.91 0.10 . 1 . . . . 58 VAL CA . 15553 1 344 . 1 1 30 30 VAL CB C 13 31.45 0.10 . 1 . . . . 58 VAL CB . 15553 1 345 . 1 1 30 30 VAL CG1 C 13 21.99 0.10 . 1 . . . . 58 VAL CG1 . 15553 1 346 . 1 1 30 30 VAL CG2 C 13 22.47 0.10 . 1 . . . . 58 VAL CG2 . 15553 1 347 . 1 1 30 30 VAL N N 15 129.74 0.10 . 1 . . . . 58 VAL N . 15553 1 348 . 1 1 31 31 GLU H H 1 9.42 0.02 . 1 . . . . 59 GLU H . 15553 1 349 . 1 1 31 31 GLU HA H 1 4.77 0.02 . 1 . . . . 59 GLU HA . 15553 1 350 . 1 1 31 31 GLU HB2 H 1 1.80 0.02 . 1 . . . . 59 GLU HB2 . 15553 1 351 . 1 1 31 31 GLU HB3 H 1 1.98 0.02 . 1 . . . . 59 GLU HB3 . 15553 1 352 . 1 1 31 31 GLU HG2 H 1 2.29 0.02 . 1 . . . . 59 GLU HG2 . 15553 1 353 . 1 1 31 31 GLU HG3 H 1 2.29 0.02 . 1 . . . . 59 GLU HG3 . 15553 1 354 . 1 1 31 31 GLU C C 13 175.95 0.10 . 1 . . . . 59 GLU C . 15553 1 355 . 1 1 31 31 GLU CA C 13 57.43 0.10 . 1 . . . . 59 GLU CA . 15553 1 356 . 1 1 31 31 GLU CB C 13 31.99 0.10 . 1 . . . . 59 GLU CB . 15553 1 357 . 1 1 31 31 GLU CG C 13 35.32 0.10 . 1 . . . . 59 GLU CG . 15553 1 358 . 1 1 31 31 GLU N N 15 128.98 0.10 . 1 . . . . 59 GLU N . 15553 1 359 . 1 1 32 32 ASN H H 1 8.22 0.02 . 1 . . . . 60 ASN H . 15553 1 360 . 1 1 32 32 ASN HA H 1 4.71 0.02 . 1 . . . . 60 ASN HA . 15553 1 361 . 1 1 32 32 ASN HB2 H 1 2.75 0.02 . 1 . . . . 60 ASN HB2 . 15553 1 362 . 1 1 32 32 ASN HB3 H 1 2.75 0.02 . 1 . . . . 60 ASN HB3 . 15553 1 363 . 1 1 32 32 ASN HD21 H 1 6.75 0.02 . 1 . . . . 60 ASN HD21 . 15553 1 364 . 1 1 32 32 ASN HD22 H 1 7.57 0.02 . 1 . . . . 60 ASN HD22 . 15553 1 365 . 1 1 32 32 ASN C C 13 173.40 0.10 . 1 . . . . 60 ASN C . 15553 1 366 . 1 1 32 32 ASN CA C 13 53.18 0.10 . 1 . . . . 60 ASN CA . 15553 1 367 . 1 1 32 32 ASN CB C 13 41.74 0.10 . 1 . . . . 60 ASN CB . 15553 1 368 . 1 1 32 32 ASN CG C 13 176.56 0.10 . 1 . . . . 60 ASN CG . 15553 1 369 . 1 1 32 32 ASN N N 15 113.67 0.10 . 1 . . . . 60 ASN N . 15553 1 370 . 1 1 32 32 ASN ND2 N 15 113.29 0.10 . 1 . . . . 60 ASN ND2 . 15553 1 371 . 1 1 33 33 ALA H H 1 8.80 0.02 . 1 . . . . 61 ALA H . 15553 1 372 . 1 1 33 33 ALA HA H 1 5.43 0.02 . 1 . . . . 61 ALA HA . 15553 1 373 . 1 1 33 33 ALA HB1 H 1 1.32 0.02 . 1 . . . . 61 ALA HB . 15553 1 374 . 1 1 33 33 ALA HB2 H 1 1.32 0.02 . 1 . . . . 61 ALA HB . 15553 1 375 . 1 1 33 33 ALA HB3 H 1 1.32 0.02 . 1 . . . . 61 ALA HB . 15553 1 376 . 1 1 33 33 ALA C C 13 174.72 0.10 . 1 . . . . 61 ALA C . 15553 1 377 . 1 1 33 33 ALA CA C 13 52.24 0.10 . 1 . . . . 61 ALA CA . 15553 1 378 . 1 1 33 33 ALA CB C 13 23.18 0.10 . 1 . . . . 61 ALA CB . 15553 1 379 . 1 1 33 33 ALA N N 15 121.03 0.10 . 1 . . . . 61 ALA N . 15553 1 380 . 1 1 34 34 ASN H H 1 8.79 0.02 . 1 . . . . 62 ASN H . 15553 1 381 . 1 1 34 34 ASN HA H 1 4.96 0.02 . 1 . . . . 62 ASN HA . 15553 1 382 . 1 1 34 34 ASN HB2 H 1 2.78 0.02 . 1 . . . . 62 ASN HB2 . 15553 1 383 . 1 1 34 34 ASN HB3 H 1 2.65 0.02 . 1 . . . . 62 ASN HB3 . 15553 1 384 . 1 1 34 34 ASN HD21 H 1 6.32 0.02 . 1 . . . . 62 ASN HD21 . 15553 1 385 . 1 1 34 34 ASN HD22 H 1 8.05 0.02 . 1 . . . . 62 ASN HD22 . 15553 1 386 . 1 1 34 34 ASN C C 13 172.62 0.10 . 1 . . . . 62 ASN C . 15553 1 387 . 1 1 34 34 ASN CA C 13 53.44 0.10 . 1 . . . . 62 ASN CA . 15553 1 388 . 1 1 34 34 ASN CB C 13 42.75 0.10 . 1 . . . . 62 ASN CB . 15553 1 389 . 1 1 34 34 ASN CG C 13 176.92 0.10 . 1 . . . . 62 ASN CG . 15553 1 390 . 1 1 34 34 ASN N N 15 114.84 0.10 . 1 . . . . 62 ASN N . 15553 1 391 . 1 1 34 34 ASN ND2 N 15 114.93 0.10 . 1 . . . . 62 ASN ND2 . 15553 1 392 . 1 1 35 35 TYR H H 1 7.20 0.02 . 1 . . . . 63 TYR H . 15553 1 393 . 1 1 35 35 TYR HA H 1 5.23 0.02 . 1 . . . . 63 TYR HA . 15553 1 394 . 1 1 35 35 TYR HB2 H 1 2.20 0.02 . 1 . . . . 63 TYR HB2 . 15553 1 395 . 1 1 35 35 TYR HB3 H 1 2.52 0.02 . 1 . . . . 63 TYR HB3 . 15553 1 396 . 1 1 35 35 TYR HD1 H 1 6.55 0.02 . 3 . . . . 63 TYR HD1 . 15553 1 397 . 1 1 35 35 TYR HD2 H 1 6.55 0.02 . 3 . . . . 63 TYR HD2 . 15553 1 398 . 1 1 35 35 TYR HE1 H 1 6.34 0.02 . 3 . . . . 63 TYR HE1 . 15553 1 399 . 1 1 35 35 TYR HE2 H 1 6.34 0.02 . 3 . . . . 63 TYR HE2 . 15553 1 400 . 1 1 35 35 TYR C C 13 172.14 0.10 . 1 . . . . 63 TYR C . 15553 1 401 . 1 1 35 35 TYR CA C 13 55.66 0.10 . 1 . . . . 63 TYR CA . 15553 1 402 . 1 1 35 35 TYR CB C 13 41.29 0.10 . 1 . . . . 63 TYR CB . 15553 1 403 . 1 1 35 35 TYR CD1 C 13 132.23 0.10 . 3 . . . . 63 TYR CD1 . 15553 1 404 . 1 1 35 35 TYR CD2 C 13 132.23 0.10 . 3 . . . . 63 TYR CD2 . 15553 1 405 . 1 1 35 35 TYR CE1 C 13 116.90 0.10 . 3 . . . . 63 TYR CE1 . 15553 1 406 . 1 1 35 35 TYR CE2 C 13 116.90 0.10 . 3 . . . . 63 TYR CE2 . 15553 1 407 . 1 1 35 35 TYR N N 15 124.86 0.10 . 1 . . . . 63 TYR N . 15553 1 408 . 1 1 36 36 GLY H H 1 7.42 0.02 . 1 . . . . 64 GLY H . 15553 1 409 . 1 1 36 36 GLY HA2 H 1 2.71 0.02 . 1 . . . . 64 GLY HA2 . 15553 1 410 . 1 1 36 36 GLY HA3 H 1 3.84 0.02 . 1 . . . . 64 GLY HA3 . 15553 1 411 . 1 1 36 36 GLY C C 13 170.66 0.10 . 1 . . . . 64 GLY C . 15553 1 412 . 1 1 36 36 GLY CA C 13 46.21 0.10 . 1 . . . . 64 GLY CA . 15553 1 413 . 1 1 36 36 GLY N N 15 110.36 0.10 . 1 . . . . 64 GLY N . 15553 1 414 . 1 1 37 37 ARG H H 1 8.44 0.02 . 1 . . . . 65 ARG H . 15553 1 415 . 1 1 37 37 ARG HA H 1 3.69 0.02 . 1 . . . . 65 ARG HA . 15553 1 416 . 1 1 37 37 ARG HB2 H 1 1.96 0.02 . 1 . . . . 65 ARG HB2 . 15553 1 417 . 1 1 37 37 ARG HB3 H 1 1.64 0.02 . 1 . . . . 65 ARG HB3 . 15553 1 418 . 1 1 37 37 ARG HD2 H 1 2.92 0.02 . 1 . . . . 65 ARG HD2 . 15553 1 419 . 1 1 37 37 ARG HD3 H 1 3.48 0.02 . 1 . . . . 65 ARG HD3 . 15553 1 420 . 1 1 37 37 ARG HE H 1 7.39 0.02 . 1 . . . . 65 ARG HE . 15553 1 421 . 1 1 37 37 ARG HG2 H 1 1.91 0.02 . 1 . . . . 65 ARG HG2 . 15553 1 422 . 1 1 37 37 ARG HG3 H 1 1.52 0.02 . 1 . . . . 65 ARG HG3 . 15553 1 423 . 1 1 37 37 ARG C C 13 173.45 0.10 . 1 . . . . 65 ARG C . 15553 1 424 . 1 1 37 37 ARG CA C 13 58.85 0.10 . 1 . . . . 65 ARG CA . 15553 1 425 . 1 1 37 37 ARG CB C 13 31.35 0.10 . 1 . . . . 65 ARG CB . 15553 1 426 . 1 1 37 37 ARG CD C 13 42.85 0.10 . 1 . . . . 65 ARG CD . 15553 1 427 . 1 1 37 37 ARG CG C 13 30.37 0.10 . 1 . . . . 65 ARG CG . 15553 1 428 . 1 1 37 37 ARG N N 15 123.44 0.10 . 1 . . . . 65 ARG N . 15553 1 429 . 1 1 37 37 ARG NE N 15 80.61 0.10 . 1 . . . . 65 ARG NE . 15553 1 430 . 1 1 38 38 THR H H 1 7.70 0.02 . 1 . . . . 66 THR H . 15553 1 431 . 1 1 38 38 THR HA H 1 4.88 0.02 . 1 . . . . 66 THR HA . 15553 1 432 . 1 1 38 38 THR HB H 1 4.57 0.02 . 1 . . . . 66 THR HB . 15553 1 433 . 1 1 38 38 THR HG21 H 1 0.66 0.02 . 1 . . . . 66 THR HG2 . 15553 1 434 . 1 1 38 38 THR HG22 H 1 0.66 0.02 . 1 . . . . 66 THR HG2 . 15553 1 435 . 1 1 38 38 THR HG23 H 1 0.66 0.02 . 1 . . . . 66 THR HG2 . 15553 1 436 . 1 1 38 38 THR C C 13 172.92 0.10 . 1 . . . . 66 THR C . 15553 1 437 . 1 1 38 38 THR CA C 13 60.15 0.10 . 1 . . . . 66 THR CA . 15553 1 438 . 1 1 38 38 THR CB C 13 69.43 0.10 . 1 . . . . 66 THR CB . 15553 1 439 . 1 1 38 38 THR CG2 C 13 21.89 0.10 . 1 . . . . 66 THR CG2 . 15553 1 440 . 1 1 38 38 THR N N 15 113.96 0.10 . 1 . . . . 66 THR N . 15553 1 441 . 1 1 39 39 ASP H H 1 7.52 0.02 . 1 . . . . 67 ASP H . 15553 1 442 . 1 1 39 39 ASP HA H 1 4.92 0.02 . 1 . . . . 67 ASP HA . 15553 1 443 . 1 1 39 39 ASP HB2 H 1 2.58 0.02 . 1 . . . . 67 ASP HB2 . 15553 1 444 . 1 1 39 39 ASP HB3 H 1 2.69 0.02 . 1 . . . . 67 ASP HB3 . 15553 1 445 . 1 1 39 39 ASP C C 13 175.26 0.10 . 1 . . . . 67 ASP C . 15553 1 446 . 1 1 39 39 ASP CA C 13 54.10 0.10 . 1 . . . . 67 ASP CA . 15553 1 447 . 1 1 39 39 ASP CB C 13 46.44 0.10 . 1 . . . . 67 ASP CB . 15553 1 448 . 1 1 39 39 ASP N N 15 122.91 0.10 . 1 . . . . 67 ASP N . 15553 1 449 . 1 1 40 40 ASP H H 1 8.72 0.02 . 1 . . . . 68 ASP H . 15553 1 450 . 1 1 40 40 ASP HA H 1 4.66 0.02 . 1 . . . . 68 ASP HA . 15553 1 451 . 1 1 40 40 ASP HB2 H 1 3.09 0.02 . 1 . . . . 68 ASP HB2 . 15553 1 452 . 1 1 40 40 ASP HB3 H 1 2.59 0.02 . 1 . . . . 68 ASP HB3 . 15553 1 453 . 1 1 40 40 ASP C C 13 175.52 0.10 . 1 . . . . 68 ASP C . 15553 1 454 . 1 1 40 40 ASP CA C 13 54.28 0.10 . 1 . . . . 68 ASP CA . 15553 1 455 . 1 1 40 40 ASP CB C 13 40.20 0.10 . 1 . . . . 68 ASP CB . 15553 1 456 . 1 1 40 40 ASP N N 15 123.95 0.10 . 1 . . . . 68 ASP N . 15553 1 457 . 1 1 41 41 LYS H H 1 8.77 0.02 . 1 . . . . 69 LYS H . 15553 1 458 . 1 1 41 41 LYS HA H 1 4.52 0.02 . 1 . . . . 69 LYS HA . 15553 1 459 . 1 1 41 41 LYS HB2 H 1 1.82 0.02 . 1 . . . . 69 LYS HB2 . 15553 1 460 . 1 1 41 41 LYS HB3 H 1 1.82 0.02 . 1 . . . . 69 LYS HB3 . 15553 1 461 . 1 1 41 41 LYS HD2 H 1 1.67 0.02 . 1 . . . . 69 LYS HD2 . 15553 1 462 . 1 1 41 41 LYS HD3 H 1 1.67 0.02 . 1 . . . . 69 LYS HD3 . 15553 1 463 . 1 1 41 41 LYS HE2 H 1 3.00 0.02 . 1 . . . . 69 LYS HE2 . 15553 1 464 . 1 1 41 41 LYS HE3 H 1 3.00 0.02 . 1 . . . . 69 LYS HE3 . 15553 1 465 . 1 1 41 41 LYS HG2 H 1 1.42 0.02 . 1 . . . . 69 LYS HG2 . 15553 1 466 . 1 1 41 41 LYS HG3 H 1 1.48 0.02 . 1 . . . . 69 LYS HG3 . 15553 1 467 . 1 1 41 41 LYS C C 13 176.95 0.10 . 1 . . . . 69 LYS C . 15553 1 468 . 1 1 41 41 LYS CA C 13 55.88 0.10 . 1 . . . . 69 LYS CA . 15553 1 469 . 1 1 41 41 LYS CB C 13 33.80 0.10 . 1 . . . . 69 LYS CB . 15553 1 470 . 1 1 41 41 LYS CD C 13 28.34 0.10 . 1 . . . . 69 LYS CD . 15553 1 471 . 1 1 41 41 LYS CE C 13 42.05 0.10 . 1 . . . . 69 LYS CE . 15553 1 472 . 1 1 41 41 LYS CG C 13 24.27 0.10 . 1 . . . . 69 LYS CG . 15553 1 473 . 1 1 41 41 LYS N N 15 116.90 0.10 . 1 . . . . 69 LYS N . 15553 1 474 . 1 1 42 42 ILE H H 1 7.02 0.02 . 1 . . . . 70 ILE H . 15553 1 475 . 1 1 42 42 ILE HA H 1 3.86 0.02 . 1 . . . . 70 ILE HA . 15553 1 476 . 1 1 42 42 ILE HB H 1 1.18 0.02 . 1 . . . . 70 ILE HB . 15553 1 477 . 1 1 42 42 ILE HD11 H 1 0.48 0.02 . 1 . . . . 70 ILE HD1 . 15553 1 478 . 1 1 42 42 ILE HD12 H 1 0.48 0.02 . 1 . . . . 70 ILE HD1 . 15553 1 479 . 1 1 42 42 ILE HD13 H 1 0.48 0.02 . 1 . . . . 70 ILE HD1 . 15553 1 480 . 1 1 42 42 ILE HG12 H 1 0.84 0.02 . 1 . . . . 70 ILE HG12 . 15553 1 481 . 1 1 42 42 ILE HG13 H 1 1.23 0.02 . 1 . . . . 70 ILE HG13 . 15553 1 482 . 1 1 42 42 ILE HG21 H 1 0.10 0.02 . 1 . . . . 70 ILE HG2 . 15553 1 483 . 1 1 42 42 ILE HG22 H 1 0.10 0.02 . 1 . . . . 70 ILE HG2 . 15553 1 484 . 1 1 42 42 ILE HG23 H 1 0.10 0.02 . 1 . . . . 70 ILE HG2 . 15553 1 485 . 1 1 42 42 ILE C C 13 175.41 0.10 . 1 . . . . 70 ILE C . 15553 1 486 . 1 1 42 42 ILE CA C 13 60.52 0.10 . 1 . . . . 70 ILE CA . 15553 1 487 . 1 1 42 42 ILE CB C 13 40.31 0.10 . 1 . . . . 70 ILE CB . 15553 1 488 . 1 1 42 42 ILE CD1 C 13 12.73 0.10 . 1 . . . . 70 ILE CD1 . 15553 1 489 . 1 1 42 42 ILE CG1 C 13 27.83 0.10 . 1 . . . . 70 ILE CG1 . 15553 1 490 . 1 1 42 42 ILE CG2 C 13 17.86 0.10 . 1 . . . . 70 ILE CG2 . 15553 1 491 . 1 1 42 42 ILE N N 15 119.36 0.10 . 1 . . . . 70 ILE N . 15553 1 492 . 1 1 43 43 CYS H H 1 9.02 0.02 . 1 . . . . 71 CYS H . 15553 1 493 . 1 1 43 43 CYS HA H 1 4.20 0.02 . 1 . . . . 71 CYS HA . 15553 1 494 . 1 1 43 43 CYS HB2 H 1 3.10 0.02 . 1 . . . . 71 CYS HB2 . 15553 1 495 . 1 1 43 43 CYS HB3 H 1 3.10 0.02 . 1 . . . . 71 CYS HB3 . 15553 1 496 . 1 1 43 43 CYS C C 13 172.85 0.10 . 1 . . . . 71 CYS C . 15553 1 497 . 1 1 43 43 CYS CA C 13 58.19 0.10 . 1 . . . . 71 CYS CA . 15553 1 498 . 1 1 43 43 CYS CB C 13 37.01 0.10 . 1 . . . . 71 CYS CB . 15553 1 499 . 1 1 43 43 CYS N N 15 119.68 0.10 . 1 . . . . 71 CYS N . 15553 1 500 . 1 1 44 44 ASP H H 1 7.92 0.02 . 1 . . . . 72 ASP H . 15553 1 501 . 1 1 44 44 ASP HA H 1 4.27 0.02 . 1 . . . . 72 ASP HA . 15553 1 502 . 1 1 44 44 ASP HB2 H 1 2.49 0.02 . 1 . . . . 72 ASP HB2 . 15553 1 503 . 1 1 44 44 ASP HB3 H 1 2.49 0.02 . 1 . . . . 72 ASP HB3 . 15553 1 504 . 1 1 44 44 ASP C C 13 174.99 0.10 . 1 . . . . 72 ASP C . 15553 1 505 . 1 1 44 44 ASP CA C 13 56.14 0.10 . 1 . . . . 72 ASP CA . 15553 1 506 . 1 1 44 44 ASP CB C 13 42.20 0.10 . 1 . . . . 72 ASP CB . 15553 1 507 . 1 1 44 44 ASP N N 15 119.22 0.10 . 1 . . . . 72 ASP N . 15553 1 508 . 1 1 45 45 ALA H H 1 8.22 0.02 . 1 . . . . 73 ALA H . 15553 1 509 . 1 1 45 45 ALA HA H 1 4.22 0.02 . 1 . . . . 73 ALA HA . 15553 1 510 . 1 1 45 45 ALA HB1 H 1 1.14 0.02 . 1 . . . . 73 ALA HB . 15553 1 511 . 1 1 45 45 ALA HB2 H 1 1.14 0.02 . 1 . . . . 73 ALA HB . 15553 1 512 . 1 1 45 45 ALA HB3 H 1 1.14 0.02 . 1 . . . . 73 ALA HB . 15553 1 513 . 1 1 45 45 ALA C C 13 175.40 0.10 . 1 . . . . 73 ALA C . 15553 1 514 . 1 1 45 45 ALA CA C 13 51.07 0.10 . 1 . . . . 73 ALA CA . 15553 1 515 . 1 1 45 45 ALA CB C 13 21.12 0.10 . 1 . . . . 73 ALA CB . 15553 1 516 . 1 1 45 45 ALA N N 15 126.52 0.10 . 1 . . . . 73 ALA N . 15553 1 517 . 1 1 46 46 ASP H H 1 7.87 0.02 . 1 . . . . 74 ASP H . 15553 1 518 . 1 1 46 46 ASP HA H 1 4.69 0.02 . 1 . . . . 74 ASP HA . 15553 1 519 . 1 1 46 46 ASP HB2 H 1 2.51 0.02 . 1 . . . . 74 ASP HB2 . 15553 1 520 . 1 1 46 46 ASP HB3 H 1 2.51 0.02 . 1 . . . . 74 ASP HB3 . 15553 1 521 . 1 1 46 46 ASP CA C 13 53.47 0.10 . 1 . . . . 74 ASP CA . 15553 1 522 . 1 1 46 46 ASP CB C 13 41.31 0.10 . 1 . . . . 74 ASP CB . 15553 1 523 . 1 1 46 46 ASP N N 15 120.36 0.10 . 1 . . . . 74 ASP N . 15553 1 524 . 1 1 47 47 PRO HA H 1 4.08 0.02 . 1 . . . . 75 PRO HA . 15553 1 525 . 1 1 47 47 PRO HB2 H 1 1.82 0.02 . 1 . . . . 75 PRO HB2 . 15553 1 526 . 1 1 47 47 PRO HB3 H 1 2.35 0.02 . 1 . . . . 75 PRO HB3 . 15553 1 527 . 1 1 47 47 PRO HD2 H 1 3.75 0.02 . 1 . . . . 75 PRO HD2 . 15553 1 528 . 1 1 47 47 PRO HD3 H 1 3.84 0.02 . 1 . . . . 75 PRO HD3 . 15553 1 529 . 1 1 47 47 PRO HG2 H 1 2.04 0.02 . 1 . . . . 75 PRO HG2 . 15553 1 530 . 1 1 47 47 PRO HG3 H 1 2.04 0.02 . 1 . . . . 75 PRO HG3 . 15553 1 531 . 1 1 47 47 PRO C C 13 179.97 0.10 . 1 . . . . 75 PRO C . 15553 1 532 . 1 1 47 47 PRO CA C 13 66.30 0.10 . 1 . . . . 75 PRO CA . 15553 1 533 . 1 1 47 47 PRO CB C 13 31.89 0.10 . 1 . . . . 75 PRO CB . 15553 1 534 . 1 1 47 47 PRO CD C 13 50.49 0.10 . 1 . . . . 75 PRO CD . 15553 1 535 . 1 1 47 47 PRO CG C 13 27.62 0.10 . 1 . . . . 75 PRO CG . 15553 1 536 . 1 1 48 48 PHE H H 1 8.28 0.02 . 1 . . . . 76 PHE H . 15553 1 537 . 1 1 48 48 PHE HA H 1 4.55 0.02 . 1 . . . . 76 PHE HA . 15553 1 538 . 1 1 48 48 PHE HB2 H 1 3.23 0.02 . 1 . . . . 76 PHE HB2 . 15553 1 539 . 1 1 48 48 PHE HB3 H 1 3.23 0.02 . 1 . . . . 76 PHE HB3 . 15553 1 540 . 1 1 48 48 PHE HD1 H 1 7.41 0.02 . 3 . . . . 76 PHE HD1 . 15553 1 541 . 1 1 48 48 PHE HD2 H 1 7.41 0.02 . 3 . . . . 76 PHE HD2 . 15553 1 542 . 1 1 48 48 PHE HE1 H 1 7.42 0.02 . 3 . . . . 76 PHE HE1 . 15553 1 543 . 1 1 48 48 PHE HE2 H 1 7.42 0.02 . 3 . . . . 76 PHE HE2 . 15553 1 544 . 1 1 48 48 PHE C C 13 177.63 0.10 . 1 . . . . 76 PHE C . 15553 1 545 . 1 1 48 48 PHE CA C 13 59.73 0.10 . 1 . . . . 76 PHE CA . 15553 1 546 . 1 1 48 48 PHE CB C 13 37.82 0.10 . 1 . . . . 76 PHE CB . 15553 1 547 . 1 1 48 48 PHE CD1 C 13 131.90 0.10 . 3 . . . . 76 PHE CD1 . 15553 1 548 . 1 1 48 48 PHE CD2 C 13 131.90 0.10 . 3 . . . . 76 PHE CD2 . 15553 1 549 . 1 1 48 48 PHE N N 15 116.00 0.10 . 1 . . . . 76 PHE N . 15553 1 550 . 1 1 49 49 GLN H H 1 8.07 0.02 . 1 . . . . 77 GLN H . 15553 1 551 . 1 1 49 49 GLN HA H 1 4.73 0.02 . 1 . . . . 77 GLN HA . 15553 1 552 . 1 1 49 49 GLN HB2 H 1 2.23 0.02 . 1 . . . . 77 GLN HB2 . 15553 1 553 . 1 1 49 49 GLN HB3 H 1 2.46 0.02 . 1 . . . . 77 GLN HB3 . 15553 1 554 . 1 1 49 49 GLN HE21 H 1 6.71 0.02 . 1 . . . . 77 GLN HE21 . 15553 1 555 . 1 1 49 49 GLN HE22 H 1 7.48 0.02 . 1 . . . . 77 GLN HE22 . 15553 1 556 . 1 1 49 49 GLN HG2 H 1 2.37 0.02 . 1 . . . . 77 GLN HG2 . 15553 1 557 . 1 1 49 49 GLN HG3 H 1 2.06 0.02 . 1 . . . . 77 GLN HG3 . 15553 1 558 . 1 1 49 49 GLN C C 13 175.97 0.10 . 1 . . . . 77 GLN C . 15553 1 559 . 1 1 49 49 GLN CA C 13 56.49 0.10 . 1 . . . . 77 GLN CA . 15553 1 560 . 1 1 49 49 GLN CB C 13 30.02 0.10 . 1 . . . . 77 GLN CB . 15553 1 561 . 1 1 49 49 GLN CD C 13 180.02 0.10 . 1 . . . . 77 GLN CD . 15553 1 562 . 1 1 49 49 GLN CG C 13 34.68 0.10 . 1 . . . . 77 GLN CG . 15553 1 563 . 1 1 49 49 GLN N N 15 117.69 0.10 . 1 . . . . 77 GLN N . 15553 1 564 . 1 1 49 49 GLN NE2 N 15 111.13 0.10 . 1 . . . . 77 GLN NE2 . 15553 1 565 . 1 1 50 50 MET H H 1 7.51 0.02 . 1 . . . . 78 MET H . 15553 1 566 . 1 1 50 50 MET HA H 1 4.51 0.02 . 1 . . . . 78 MET HA . 15553 1 567 . 1 1 50 50 MET HB2 H 1 1.85 0.02 . 1 . . . . 78 MET HB2 . 15553 1 568 . 1 1 50 50 MET HB3 H 1 2.45 0.02 . 1 . . . . 78 MET HB3 . 15553 1 569 . 1 1 50 50 MET HE1 H 1 2.02 0.02 . 1 . . . . 78 MET HE . 15553 1 570 . 1 1 50 50 MET HE2 H 1 2.02 0.02 . 1 . . . . 78 MET HE . 15553 1 571 . 1 1 50 50 MET HE3 H 1 2.02 0.02 . 1 . . . . 78 MET HE . 15553 1 572 . 1 1 50 50 MET HG2 H 1 2.12 0.02 . 1 . . . . 78 MET HG2 . 15553 1 573 . 1 1 50 50 MET HG3 H 1 2.50 0.02 . 1 . . . . 78 MET HG3 . 15553 1 574 . 1 1 50 50 MET C C 13 173.88 0.10 . 1 . . . . 78 MET C . 15553 1 575 . 1 1 50 50 MET CA C 13 55.21 0.10 . 1 . . . . 78 MET CA . 15553 1 576 . 1 1 50 50 MET CB C 13 35.48 0.10 . 1 . . . . 78 MET CB . 15553 1 577 . 1 1 50 50 MET CE C 13 17.22 0.10 . 1 . . . . 78 MET CE . 15553 1 578 . 1 1 50 50 MET CG C 13 31.38 0.10 . 1 . . . . 78 MET CG . 15553 1 579 . 1 1 50 50 MET N N 15 116.38 0.10 . 1 . . . . 78 MET N . 15553 1 580 . 1 1 51 51 GLU H H 1 6.98 0.02 . 1 . . . . 79 GLU H . 15553 1 581 . 1 1 51 51 GLU HA H 1 4.06 0.02 . 1 . . . . 79 GLU HA . 15553 1 582 . 1 1 51 51 GLU HB2 H 1 2.00 0.02 . 1 . . . . 79 GLU HB2 . 15553 1 583 . 1 1 51 51 GLU HB3 H 1 2.00 0.02 . 1 . . . . 79 GLU HB3 . 15553 1 584 . 1 1 51 51 GLU HG2 H 1 2.26 0.02 . 1 . . . . 79 GLU HG2 . 15553 1 585 . 1 1 51 51 GLU HG3 H 1 2.45 0.02 . 1 . . . . 79 GLU HG3 . 15553 1 586 . 1 1 51 51 GLU C C 13 177.14 0.10 . 1 . . . . 79 GLU C . 15553 1 587 . 1 1 51 51 GLU CA C 13 58.35 0.10 . 1 . . . . 79 GLU CA . 15553 1 588 . 1 1 51 51 GLU CB C 13 31.02 0.10 . 1 . . . . 79 GLU CB . 15553 1 589 . 1 1 51 51 GLU CG C 13 36.51 0.10 . 1 . . . . 79 GLU CG . 15553 1 590 . 1 1 51 51 GLU N N 15 116.42 0.10 . 1 . . . . 79 GLU N . 15553 1 591 . 1 1 52 52 ASN H H 1 7.86 0.02 . 1 . . . . 80 ASN H . 15553 1 592 . 1 1 52 52 ASN HA H 1 4.48 0.02 . 1 . . . . 80 ASN HA . 15553 1 593 . 1 1 52 52 ASN HB2 H 1 2.53 0.02 . 1 . . . . 80 ASN HB2 . 15553 1 594 . 1 1 52 52 ASN HB3 H 1 3.28 0.02 . 1 . . . . 80 ASN HB3 . 15553 1 595 . 1 1 52 52 ASN HD21 H 1 6.82 0.02 . 1 . . . . 80 ASN HD21 . 15553 1 596 . 1 1 52 52 ASN HD22 H 1 7.09 0.02 . 1 . . . . 80 ASN HD22 . 15553 1 597 . 1 1 52 52 ASN C C 13 173.28 0.10 . 1 . . . . 80 ASN C . 15553 1 598 . 1 1 52 52 ASN CA C 13 52.57 0.10 . 1 . . . . 80 ASN CA . 15553 1 599 . 1 1 52 52 ASN CB C 13 37.66 0.10 . 1 . . . . 80 ASN CB . 15553 1 600 . 1 1 52 52 ASN CG C 13 177.75 0.10 . 1 . . . . 80 ASN CG . 15553 1 601 . 1 1 52 52 ASN N N 15 117.54 0.10 . 1 . . . . 80 ASN N . 15553 1 602 . 1 1 52 52 ASN ND2 N 15 107.90 0.10 . 1 . . . . 80 ASN ND2 . 15553 1 603 . 1 1 53 53 VAL H H 1 7.42 0.02 . 1 . . . . 81 VAL H . 15553 1 604 . 1 1 53 53 VAL HA H 1 4.18 0.02 . 1 . . . . 81 VAL HA . 15553 1 605 . 1 1 53 53 VAL HB H 1 2.22 0.02 . 1 . . . . 81 VAL HB . 15553 1 606 . 1 1 53 53 VAL HG11 H 1 0.70 0.02 . 1 . . . . 81 VAL HG1 . 15553 1 607 . 1 1 53 53 VAL HG12 H 1 0.70 0.02 . 1 . . . . 81 VAL HG1 . 15553 1 608 . 1 1 53 53 VAL HG13 H 1 0.70 0.02 . 1 . . . . 81 VAL HG1 . 15553 1 609 . 1 1 53 53 VAL HG21 H 1 0.81 0.02 . 1 . . . . 81 VAL HG2 . 15553 1 610 . 1 1 53 53 VAL HG22 H 1 0.81 0.02 . 1 . . . . 81 VAL HG2 . 15553 1 611 . 1 1 53 53 VAL HG23 H 1 0.81 0.02 . 1 . . . . 81 VAL HG2 . 15553 1 612 . 1 1 53 53 VAL C C 13 175.71 0.10 . 1 . . . . 81 VAL C . 15553 1 613 . 1 1 53 53 VAL CA C 13 59.87 0.10 . 1 . . . . 81 VAL CA . 15553 1 614 . 1 1 53 53 VAL CB C 13 29.82 0.10 . 1 . . . . 81 VAL CB . 15553 1 615 . 1 1 53 53 VAL CG1 C 13 21.41 0.10 . 1 . . . . 81 VAL CG1 . 15553 1 616 . 1 1 53 53 VAL CG2 C 13 18.39 0.10 . 1 . . . . 81 VAL CG2 . 15553 1 617 . 1 1 53 53 VAL N N 15 113.52 0.10 . 1 . . . . 81 VAL N . 15553 1 618 . 1 1 54 54 GLN H H 1 8.11 0.02 . 1 . . . . 82 GLN H . 15553 1 619 . 1 1 54 54 GLN HA H 1 4.52 0.02 . 1 . . . . 82 GLN HA . 15553 1 620 . 1 1 54 54 GLN HB2 H 1 2.33 0.02 . 1 . . . . 82 GLN HB2 . 15553 1 621 . 1 1 54 54 GLN HB3 H 1 1.87 0.02 . 1 . . . . 82 GLN HB3 . 15553 1 622 . 1 1 54 54 GLN HE21 H 1 6.84 0.02 . 1 . . . . 82 GLN HE21 . 15553 1 623 . 1 1 54 54 GLN HE22 H 1 7.51 0.02 . 1 . . . . 82 GLN HE22 . 15553 1 624 . 1 1 54 54 GLN HG2 H 1 2.32 0.02 . 1 . . . . 82 GLN HG2 . 15553 1 625 . 1 1 54 54 GLN HG3 H 1 2.32 0.02 . 1 . . . . 82 GLN HG3 . 15553 1 626 . 1 1 54 54 GLN C C 13 173.99 0.10 . 1 . . . . 82 GLN C . 15553 1 627 . 1 1 54 54 GLN CA C 13 53.27 0.10 . 1 . . . . 82 GLN CA . 15553 1 628 . 1 1 54 54 GLN CB C 13 28.86 0.10 . 1 . . . . 82 GLN CB . 15553 1 629 . 1 1 54 54 GLN CD C 13 181.32 0.10 . 1 . . . . 82 GLN CD . 15553 1 630 . 1 1 54 54 GLN CG C 13 33.63 0.10 . 1 . . . . 82 GLN CG . 15553 1 631 . 1 1 54 54 GLN N N 15 121.64 0.10 . 1 . . . . 82 GLN N . 15553 1 632 . 1 1 54 54 GLN NE2 N 15 111.86 0.10 . 1 . . . . 82 GLN NE2 . 15553 1 633 . 1 1 55 55 CYS H H 1 7.46 0.02 . 1 . . . . 83 CYS H . 15553 1 634 . 1 1 55 55 CYS HA H 1 4.85 0.02 . 1 . . . . 83 CYS HA . 15553 1 635 . 1 1 55 55 CYS HB2 H 1 2.51 0.02 . 1 . . . . 83 CYS HB2 . 15553 1 636 . 1 1 55 55 CYS HB3 H 1 3.35 0.02 . 1 . . . . 83 CYS HB3 . 15553 1 637 . 1 1 55 55 CYS C C 13 172.43 0.10 . 1 . . . . 83 CYS C . 15553 1 638 . 1 1 55 55 CYS CA C 13 54.72 0.10 . 1 . . . . 83 CYS CA . 15553 1 639 . 1 1 55 55 CYS CB C 13 41.85 0.10 . 1 . . . . 83 CYS CB . 15553 1 640 . 1 1 55 55 CYS N N 15 121.80 0.10 . 1 . . . . 83 CYS N . 15553 1 641 . 1 1 56 56 TYR H H 1 8.72 0.02 . 1 . . . . 84 TYR H . 15553 1 642 . 1 1 56 56 TYR HA H 1 4.87 0.02 . 1 . . . . 84 TYR HA . 15553 1 643 . 1 1 56 56 TYR HB2 H 1 2.79 0.02 . 1 . . . . 84 TYR HB2 . 15553 1 644 . 1 1 56 56 TYR HB3 H 1 2.90 0.02 . 1 . . . . 84 TYR HB3 . 15553 1 645 . 1 1 56 56 TYR HD1 H 1 6.90 0.02 . 3 . . . . 84 TYR HD1 . 15553 1 646 . 1 1 56 56 TYR HD2 H 1 6.90 0.02 . 3 . . . . 84 TYR HD2 . 15553 1 647 . 1 1 56 56 TYR HE1 H 1 6.70 0.02 . 3 . . . . 84 TYR HE1 . 15553 1 648 . 1 1 56 56 TYR HE2 H 1 6.70 0.02 . 3 . . . . 84 TYR HE2 . 15553 1 649 . 1 1 56 56 TYR C C 13 173.82 0.10 . 1 . . . . 84 TYR C . 15553 1 650 . 1 1 56 56 TYR CA C 13 56.55 0.10 . 1 . . . . 84 TYR CA . 15553 1 651 . 1 1 56 56 TYR CB C 13 42.08 0.10 . 1 . . . . 84 TYR CB . 15553 1 652 . 1 1 56 56 TYR CD1 C 13 133.43 0.10 . 3 . . . . 84 TYR CD1 . 15553 1 653 . 1 1 56 56 TYR CD2 C 13 133.43 0.10 . 3 . . . . 84 TYR CD2 . 15553 1 654 . 1 1 56 56 TYR CE1 C 13 117.88 0.10 . 3 . . . . 84 TYR CE1 . 15553 1 655 . 1 1 56 56 TYR CE2 C 13 117.88 0.10 . 3 . . . . 84 TYR CE2 . 15553 1 656 . 1 1 56 56 TYR N N 15 126.84 0.10 . 1 . . . . 84 TYR N . 15553 1 657 . 1 1 57 57 LEU H H 1 8.47 0.02 . 1 . . . . 85 LEU H . 15553 1 658 . 1 1 57 57 LEU HA H 1 5.14 0.02 . 1 . . . . 85 LEU HA . 15553 1 659 . 1 1 57 57 LEU HB2 H 1 1.61 0.02 . 1 . . . . 85 LEU HB2 . 15553 1 660 . 1 1 57 57 LEU HB3 H 1 2.52 0.02 . 1 . . . . 85 LEU HB3 . 15553 1 661 . 1 1 57 57 LEU HD11 H 1 1.17 0.02 . 1 . . . . 85 LEU HD1 . 15553 1 662 . 1 1 57 57 LEU HD12 H 1 1.17 0.02 . 1 . . . . 85 LEU HD1 . 15553 1 663 . 1 1 57 57 LEU HD13 H 1 1.17 0.02 . 1 . . . . 85 LEU HD1 . 15553 1 664 . 1 1 57 57 LEU HD21 H 1 1.28 0.02 . 1 . . . . 85 LEU HD2 . 15553 1 665 . 1 1 57 57 LEU HD22 H 1 1.28 0.02 . 1 . . . . 85 LEU HD2 . 15553 1 666 . 1 1 57 57 LEU HD23 H 1 1.28 0.02 . 1 . . . . 85 LEU HD2 . 15553 1 667 . 1 1 57 57 LEU HG H 1 1.52 0.02 . 1 . . . . 85 LEU HG . 15553 1 668 . 1 1 57 57 LEU CA C 13 51.69 0.10 . 1 . . . . 85 LEU CA . 15553 1 669 . 1 1 57 57 LEU CB C 13 44.61 0.10 . 1 . . . . 85 LEU CB . 15553 1 670 . 1 1 57 57 LEU CD1 C 13 24.29 0.10 . 1 . . . . 85 LEU CD1 . 15553 1 671 . 1 1 57 57 LEU CD2 C 13 28.38 0.10 . 1 . . . . 85 LEU CD2 . 15553 1 672 . 1 1 57 57 LEU CG C 13 28.57 0.10 . 1 . . . . 85 LEU CG . 15553 1 673 . 1 1 57 57 LEU N N 15 121.31 0.10 . 1 . . . . 85 LEU N . 15553 1 674 . 1 1 58 58 PRO HA H 1 4.67 0.02 . 1 . . . . 86 PRO HA . 15553 1 675 . 1 1 58 58 PRO HB2 H 1 2.56 0.02 . 1 . . . . 86 PRO HB2 . 15553 1 676 . 1 1 58 58 PRO HB3 H 1 2.14 0.02 . 1 . . . . 86 PRO HB3 . 15553 1 677 . 1 1 58 58 PRO HD2 H 1 4.09 0.02 . 1 . . . . 86 PRO HD2 . 15553 1 678 . 1 1 58 58 PRO HD3 H 1 3.85 0.02 . 1 . . . . 86 PRO HD3 . 15553 1 679 . 1 1 58 58 PRO HG2 H 1 2.27 0.02 . 1 . . . . 86 PRO HG2 . 15553 1 680 . 1 1 58 58 PRO HG3 H 1 2.11 0.02 . 1 . . . . 86 PRO HG3 . 15553 1 681 . 1 1 58 58 PRO C C 13 178.76 0.10 . 1 . . . . 86 PRO C . 15553 1 682 . 1 1 58 58 PRO CA C 13 65.56 0.10 . 1 . . . . 86 PRO CA . 15553 1 683 . 1 1 58 58 PRO CB C 13 31.93 0.10 . 1 . . . . 86 PRO CB . 15553 1 684 . 1 1 58 58 PRO CD C 13 51.08 0.10 . 1 . . . . 86 PRO CD . 15553 1 685 . 1 1 58 58 PRO CG C 13 27.61 0.10 . 1 . . . . 86 PRO CG . 15553 1 686 . 1 1 59 59 ASP H H 1 8.40 0.02 . 1 . . . . 87 ASP H . 15553 1 687 . 1 1 59 59 ASP HA H 1 4.84 0.02 . 1 . . . . 87 ASP HA . 15553 1 688 . 1 1 59 59 ASP HB2 H 1 2.45 0.02 . 1 . . . . 87 ASP HB2 . 15553 1 689 . 1 1 59 59 ASP HB3 H 1 2.92 0.02 . 1 . . . . 87 ASP HB3 . 15553 1 690 . 1 1 59 59 ASP C C 13 176.54 0.10 . 1 . . . . 87 ASP C . 15553 1 691 . 1 1 59 59 ASP CA C 13 55.53 0.10 . 1 . . . . 87 ASP CA . 15553 1 692 . 1 1 59 59 ASP CB C 13 40.46 0.10 . 1 . . . . 87 ASP CB . 15553 1 693 . 1 1 59 59 ASP N N 15 113.55 0.10 . 1 . . . . 87 ASP N . 15553 1 694 . 1 1 60 60 ALA H H 1 8.49 0.02 . 1 . . . . 88 ALA H . 15553 1 695 . 1 1 60 60 ALA HA H 1 4.09 0.02 . 1 . . . . 88 ALA HA . 15553 1 696 . 1 1 60 60 ALA HB1 H 1 1.55 0.02 . 1 . . . . 88 ALA HB . 15553 1 697 . 1 1 60 60 ALA HB2 H 1 1.55 0.02 . 1 . . . . 88 ALA HB . 15553 1 698 . 1 1 60 60 ALA HB3 H 1 1.55 0.02 . 1 . . . . 88 ALA HB . 15553 1 699 . 1 1 60 60 ALA C C 13 178.57 0.10 . 1 . . . . 88 ALA C . 15553 1 700 . 1 1 60 60 ALA CA C 13 56.49 0.10 . 1 . . . . 88 ALA CA . 15553 1 701 . 1 1 60 60 ALA CB C 13 18.34 0.10 . 1 . . . . 88 ALA CB . 15553 1 702 . 1 1 60 60 ALA N N 15 121.89 0.10 . 1 . . . . 88 ALA N . 15553 1 703 . 1 1 61 61 PHE H H 1 8.52 0.02 . 1 . . . . 89 PHE H . 15553 1 704 . 1 1 61 61 PHE HA H 1 4.12 0.02 . 1 . . . . 89 PHE HA . 15553 1 705 . 1 1 61 61 PHE HB2 H 1 3.61 0.02 . 1 . . . . 89 PHE HB2 . 15553 1 706 . 1 1 61 61 PHE HB3 H 1 3.34 0.02 . 1 . . . . 89 PHE HB3 . 15553 1 707 . 1 1 61 61 PHE HD1 H 1 7.07 0.02 . 3 . . . . 89 PHE HD1 . 15553 1 708 . 1 1 61 61 PHE HD2 H 1 7.07 0.02 . 3 . . . . 89 PHE HD2 . 15553 1 709 . 1 1 61 61 PHE HE1 H 1 7.20 0.02 . 3 . . . . 89 PHE HE1 . 15553 1 710 . 1 1 61 61 PHE HE2 H 1 7.20 0.02 . 3 . . . . 89 PHE HE2 . 15553 1 711 . 1 1 61 61 PHE C C 13 177.73 0.10 . 1 . . . . 89 PHE C . 15553 1 712 . 1 1 61 61 PHE CA C 13 61.75 0.10 . 1 . . . . 89 PHE CA . 15553 1 713 . 1 1 61 61 PHE CB C 13 38.77 0.10 . 1 . . . . 89 PHE CB . 15553 1 714 . 1 1 61 61 PHE CD1 C 13 130.85 0.10 . 3 . . . . 89 PHE CD1 . 15553 1 715 . 1 1 61 61 PHE CD2 C 13 130.85 0.10 . 3 . . . . 89 PHE CD2 . 15553 1 716 . 1 1 61 61 PHE CE1 C 13 131.55 0.10 . 3 . . . . 89 PHE CE1 . 15553 1 717 . 1 1 61 61 PHE CE2 C 13 131.55 0.10 . 3 . . . . 89 PHE CE2 . 15553 1 718 . 1 1 61 61 PHE N N 15 117.16 0.10 . 1 . . . . 89 PHE N . 15553 1 719 . 1 1 62 62 LYS H H 1 7.97 0.02 . 1 . . . . 90 LYS H . 15553 1 720 . 1 1 62 62 LYS HA H 1 3.79 0.02 . 1 . . . . 90 LYS HA . 15553 1 721 . 1 1 62 62 LYS HB2 H 1 1.95 0.02 . 1 . . . . 90 LYS HB2 . 15553 1 722 . 1 1 62 62 LYS HB3 H 1 2.04 0.02 . 1 . . . . 90 LYS HB3 . 15553 1 723 . 1 1 62 62 LYS HD2 H 1 1.72 0.02 . 1 . . . . 90 LYS HD2 . 15553 1 724 . 1 1 62 62 LYS HD3 H 1 1.72 0.02 . 1 . . . . 90 LYS HD3 . 15553 1 725 . 1 1 62 62 LYS HE2 H 1 3.00 0.02 . 1 . . . . 90 LYS HE2 . 15553 1 726 . 1 1 62 62 LYS HE3 H 1 3.00 0.02 . 1 . . . . 90 LYS HE3 . 15553 1 727 . 1 1 62 62 LYS HG2 H 1 1.56 0.02 . 1 . . . . 90 LYS HG2 . 15553 1 728 . 1 1 62 62 LYS HG3 H 1 1.43 0.02 . 1 . . . . 90 LYS HG3 . 15553 1 729 . 1 1 62 62 LYS C C 13 178.46 0.10 . 1 . . . . 90 LYS C . 15553 1 730 . 1 1 62 62 LYS CA C 13 59.75 0.10 . 1 . . . . 90 LYS CA . 15553 1 731 . 1 1 62 62 LYS CB C 13 32.18 0.10 . 1 . . . . 90 LYS CB . 15553 1 732 . 1 1 62 62 LYS CD C 13 29.52 0.10 . 1 . . . . 90 LYS CD . 15553 1 733 . 1 1 62 62 LYS CE C 13 42.05 0.10 . 1 . . . . 90 LYS CE . 15553 1 734 . 1 1 62 62 LYS CG C 13 24.89 0.10 . 1 . . . . 90 LYS CG . 15553 1 735 . 1 1 62 62 LYS N N 15 124.87 0.10 . 1 . . . . 90 LYS N . 15553 1 736 . 1 1 63 63 ILE H H 1 8.27 0.02 . 1 . . . . 91 ILE H . 15553 1 737 . 1 1 63 63 ILE HA H 1 3.59 0.02 . 1 . . . . 91 ILE HA . 15553 1 738 . 1 1 63 63 ILE HB H 1 1.59 0.02 . 1 . . . . 91 ILE HB . 15553 1 739 . 1 1 63 63 ILE HD11 H 1 0.77 0.02 . 1 . . . . 91 ILE HD1 . 15553 1 740 . 1 1 63 63 ILE HD12 H 1 0.77 0.02 . 1 . . . . 91 ILE HD1 . 15553 1 741 . 1 1 63 63 ILE HD13 H 1 0.77 0.02 . 1 . . . . 91 ILE HD1 . 15553 1 742 . 1 1 63 63 ILE HG12 H 1 0.93 0.02 . 1 . . . . 91 ILE HG12 . 15553 1 743 . 1 1 63 63 ILE HG13 H 1 1.71 0.02 . 1 . . . . 91 ILE HG13 . 15553 1 744 . 1 1 63 63 ILE HG21 H 1 0.38 0.02 . 1 . . . . 91 ILE HG2 . 15553 1 745 . 1 1 63 63 ILE HG22 H 1 0.38 0.02 . 1 . . . . 91 ILE HG2 . 15553 1 746 . 1 1 63 63 ILE HG23 H 1 0.38 0.02 . 1 . . . . 91 ILE HG2 . 15553 1 747 . 1 1 63 63 ILE C C 13 178.60 0.10 . 1 . . . . 91 ILE C . 15553 1 748 . 1 1 63 63 ILE CA C 13 65.42 0.10 . 1 . . . . 91 ILE CA . 15553 1 749 . 1 1 63 63 ILE CB C 13 39.26 0.10 . 1 . . . . 91 ILE CB . 15553 1 750 . 1 1 63 63 ILE CD1 C 13 14.30 0.10 . 1 . . . . 91 ILE CD1 . 15553 1 751 . 1 1 63 63 ILE CG1 C 13 29.40 0.10 . 1 . . . . 91 ILE CG1 . 15553 1 752 . 1 1 63 63 ILE CG2 C 13 16.45 0.10 . 1 . . . . 91 ILE CG2 . 15553 1 753 . 1 1 63 63 ILE N N 15 120.26 0.10 . 1 . . . . 91 ILE N . 15553 1 754 . 1 1 64 64 MET H H 1 8.28 0.02 . 1 . . . . 92 MET H . 15553 1 755 . 1 1 64 64 MET HA H 1 4.47 0.02 . 1 . . . . 92 MET HA . 15553 1 756 . 1 1 64 64 MET HB2 H 1 2.01 0.02 . 1 . . . . 92 MET HB2 . 15553 1 757 . 1 1 64 64 MET HB3 H 1 1.74 0.02 . 1 . . . . 92 MET HB3 . 15553 1 758 . 1 1 64 64 MET HE1 H 1 1.85 0.02 . 1 . . . . 92 MET HE . 15553 1 759 . 1 1 64 64 MET HE2 H 1 1.85 0.02 . 1 . . . . 92 MET HE . 15553 1 760 . 1 1 64 64 MET HE3 H 1 1.85 0.02 . 1 . . . . 92 MET HE . 15553 1 761 . 1 1 64 64 MET HG2 H 1 2.49 0.02 . 1 . . . . 92 MET HG2 . 15553 1 762 . 1 1 64 64 MET HG3 H 1 2.76 0.02 . 1 . . . . 92 MET HG3 . 15553 1 763 . 1 1 64 64 MET C C 13 178.81 0.10 . 1 . . . . 92 MET C . 15553 1 764 . 1 1 64 64 MET CA C 13 55.34 0.10 . 1 . . . . 92 MET CA . 15553 1 765 . 1 1 64 64 MET CB C 13 29.20 0.10 . 1 . . . . 92 MET CB . 15553 1 766 . 1 1 64 64 MET CE C 13 16.04 0.10 . 1 . . . . 92 MET CE . 15553 1 767 . 1 1 64 64 MET CG C 13 31.86 0.10 . 1 . . . . 92 MET CG . 15553 1 768 . 1 1 64 64 MET N N 15 114.61 0.10 . 1 . . . . 92 MET N . 15553 1 769 . 1 1 65 65 SER H H 1 8.12 0.02 . 1 . . . . 93 SER H . 15553 1 770 . 1 1 65 65 SER HA H 1 3.82 0.02 . 1 . . . . 93 SER HA . 15553 1 771 . 1 1 65 65 SER HB2 H 1 3.73 0.02 . 1 . . . . 93 SER HB2 . 15553 1 772 . 1 1 65 65 SER HB3 H 1 3.50 0.02 . 1 . . . . 93 SER HB3 . 15553 1 773 . 1 1 65 65 SER C C 13 175.71 0.10 . 1 . . . . 93 SER C . 15553 1 774 . 1 1 65 65 SER CA C 13 62.36 0.10 . 1 . . . . 93 SER CA . 15553 1 775 . 1 1 65 65 SER CB C 13 62.68 0.10 . 1 . . . . 93 SER CB . 15553 1 776 . 1 1 65 65 SER N N 15 117.30 0.10 . 1 . . . . 93 SER N . 15553 1 777 . 1 1 66 66 GLN H H 1 8.02 0.02 . 1 . . . . 94 GLN H . 15553 1 778 . 1 1 66 66 GLN HA H 1 3.89 0.02 . 1 . . . . 94 GLN HA . 15553 1 779 . 1 1 66 66 GLN HB2 H 1 2.14 0.02 . 1 . . . . 94 GLN HB2 . 15553 1 780 . 1 1 66 66 GLN HB3 H 1 2.05 0.02 . 1 . . . . 94 GLN HB3 . 15553 1 781 . 1 1 66 66 GLN HE21 H 1 6.77 0.02 . 1 . . . . 94 GLN HE21 . 15553 1 782 . 1 1 66 66 GLN HE22 H 1 7.36 0.02 . 1 . . . . 94 GLN HE22 . 15553 1 783 . 1 1 66 66 GLN HG2 H 1 2.34 0.02 . 1 . . . . 94 GLN HG2 . 15553 1 784 . 1 1 66 66 GLN HG3 H 1 2.48 0.02 . 1 . . . . 94 GLN HG3 . 15553 1 785 . 1 1 66 66 GLN C C 13 178.88 0.10 . 1 . . . . 94 GLN C . 15553 1 786 . 1 1 66 66 GLN CA C 13 58.83 0.10 . 1 . . . . 94 GLN CA . 15553 1 787 . 1 1 66 66 GLN CB C 13 28.24 0.10 . 1 . . . . 94 GLN CB . 15553 1 788 . 1 1 66 66 GLN CD C 13 180.13 0.10 . 1 . . . . 94 GLN CD . 15553 1 789 . 1 1 66 66 GLN CG C 13 34.06 0.10 . 1 . . . . 94 GLN CG . 15553 1 790 . 1 1 66 66 GLN N N 15 120.65 0.10 . 1 . . . . 94 GLN N . 15553 1 791 . 1 1 66 66 GLN NE2 N 15 110.98 0.10 . 1 . . . . 94 GLN NE2 . 15553 1 792 . 1 1 67 67 ARG H H 1 7.79 0.02 . 1 . . . . 95 ARG H . 15553 1 793 . 1 1 67 67 ARG HA H 1 4.09 0.02 . 1 . . . . 95 ARG HA . 15553 1 794 . 1 1 67 67 ARG HB2 H 1 1.76 0.02 . 1 . . . . 95 ARG HB2 . 15553 1 795 . 1 1 67 67 ARG HB3 H 1 1.76 0.02 . 1 . . . . 95 ARG HB3 . 15553 1 796 . 1 1 67 67 ARG HD2 H 1 2.95 0.02 . 1 . . . . 95 ARG HD2 . 15553 1 797 . 1 1 67 67 ARG HD3 H 1 3.04 0.02 . 1 . . . . 95 ARG HD3 . 15553 1 798 . 1 1 67 67 ARG HE H 1 8.05 0.02 . 1 . . . . 95 ARG HE . 15553 1 799 . 1 1 67 67 ARG HG2 H 1 1.67 0.02 . 1 . . . . 95 ARG HG2 . 15553 1 800 . 1 1 67 67 ARG HG3 H 1 1.60 0.02 . 1 . . . . 95 ARG HG3 . 15553 1 801 . 1 1 67 67 ARG C C 13 177.89 0.10 . 1 . . . . 95 ARG C . 15553 1 802 . 1 1 67 67 ARG CA C 13 58.27 0.10 . 1 . . . . 95 ARG CA . 15553 1 803 . 1 1 67 67 ARG CB C 13 31.40 0.10 . 1 . . . . 95 ARG CB . 15553 1 804 . 1 1 67 67 ARG CD C 13 42.67 0.10 . 1 . . . . 95 ARG CD . 15553 1 805 . 1 1 67 67 ARG CG C 13 28.34 0.10 . 1 . . . . 95 ARG CG . 15553 1 806 . 1 1 67 67 ARG N N 15 115.46 0.10 . 1 . . . . 95 ARG N . 15553 1 807 . 1 1 67 67 ARG NE N 15 92.26 0.10 . 1 . . . . 95 ARG NE . 15553 1 808 . 1 1 68 68 CYS H H 1 7.75 0.02 . 1 . . . . 96 CYS H . 15553 1 809 . 1 1 68 68 CYS HA H 1 4.78 0.02 . 1 . . . . 96 CYS HA . 15553 1 810 . 1 1 68 68 CYS HB2 H 1 2.86 0.02 . 1 . . . . 96 CYS HB2 . 15553 1 811 . 1 1 68 68 CYS HB3 H 1 2.86 0.02 . 1 . . . . 96 CYS HB3 . 15553 1 812 . 1 1 68 68 CYS C C 13 173.42 0.10 . 1 . . . . 96 CYS C . 15553 1 813 . 1 1 68 68 CYS CA C 13 55.89 0.10 . 1 . . . . 96 CYS CA . 15553 1 814 . 1 1 68 68 CYS CB C 13 44.77 0.10 . 1 . . . . 96 CYS CB . 15553 1 815 . 1 1 68 68 CYS N N 15 111.38 0.10 . 1 . . . . 96 CYS N . 15553 1 816 . 1 1 69 69 ASN H H 1 8.14 0.02 . 1 . . . . 97 ASN H . 15553 1 817 . 1 1 69 69 ASN HA H 1 4.65 0.02 . 1 . . . . 97 ASN HA . 15553 1 818 . 1 1 69 69 ASN HB2 H 1 3.02 0.02 . 1 . . . . 97 ASN HB2 . 15553 1 819 . 1 1 69 69 ASN HB3 H 1 2.63 0.02 . 1 . . . . 97 ASN HB3 . 15553 1 820 . 1 1 69 69 ASN HD21 H 1 7.33 0.02 . 1 . . . . 97 ASN HD21 . 15553 1 821 . 1 1 69 69 ASN HD22 H 1 8.09 0.02 . 1 . . . . 97 ASN HD22 . 15553 1 822 . 1 1 69 69 ASN C C 13 178.50 0.10 . 1 . . . . 97 ASN C . 15553 1 823 . 1 1 69 69 ASN CA C 13 53.99 0.10 . 1 . . . . 97 ASN CA . 15553 1 824 . 1 1 69 69 ASN CB C 13 36.93 0.10 . 1 . . . . 97 ASN CB . 15553 1 825 . 1 1 69 69 ASN CG C 13 175.81 0.10 . 1 . . . . 97 ASN CG . 15553 1 826 . 1 1 69 69 ASN N N 15 117.62 0.10 . 1 . . . . 97 ASN N . 15553 1 827 . 1 1 69 69 ASN ND2 N 15 108.41 0.10 . 1 . . . . 97 ASN ND2 . 15553 1 828 . 1 1 70 70 ASN H H 1 9.13 0.02 . 1 . . . . 98 ASN H . 15553 1 829 . 1 1 70 70 ASN HA H 1 4.19 0.02 . 1 . . . . 98 ASN HA . 15553 1 830 . 1 1 70 70 ASN HB2 H 1 3.23 0.02 . 1 . . . . 98 ASN HB2 . 15553 1 831 . 1 1 70 70 ASN HB3 H 1 2.95 0.02 . 1 . . . . 98 ASN HB3 . 15553 1 832 . 1 1 70 70 ASN HD22 H 1 8.44 0.02 . 1 . . . . 98 ASN HD22 . 15553 1 833 . 1 1 70 70 ASN C C 13 173.58 0.10 . 1 . . . . 98 ASN C . 15553 1 834 . 1 1 70 70 ASN CA C 13 54.29 0.10 . 1 . . . . 98 ASN CA . 15553 1 835 . 1 1 70 70 ASN CB C 13 38.12 0.10 . 1 . . . . 98 ASN CB . 15553 1 836 . 1 1 70 70 ASN CG C 13 175.52 0.10 . 1 . . . . 98 ASN CG . 15553 1 837 . 1 1 70 70 ASN N N 15 111.05 0.10 . 1 . . . . 98 ASN N . 15553 1 838 . 1 1 70 70 ASN ND2 N 15 130.61 0.10 . 1 . . . . 98 ASN ND2 . 15553 1 839 . 1 1 71 71 ARG H H 1 7.57 0.02 . 1 . . . . 99 ARG H . 15553 1 840 . 1 1 71 71 ARG HA H 1 4.79 0.02 . 1 . . . . 99 ARG HA . 15553 1 841 . 1 1 71 71 ARG HB2 H 1 1.76 0.02 . 1 . . . . 99 ARG HB2 . 15553 1 842 . 1 1 71 71 ARG HB3 H 1 2.07 0.02 . 1 . . . . 99 ARG HB3 . 15553 1 843 . 1 1 71 71 ARG HD2 H 1 3.25 0.02 . 1 . . . . 99 ARG HD2 . 15553 1 844 . 1 1 71 71 ARG HD3 H 1 3.25 0.02 . 1 . . . . 99 ARG HD3 . 15553 1 845 . 1 1 71 71 ARG HE H 1 7.08 0.02 . 1 . . . . 99 ARG HE . 15553 1 846 . 1 1 71 71 ARG HG2 H 1 1.53 0.02 . 1 . . . . 99 ARG HG2 . 15553 1 847 . 1 1 71 71 ARG HG3 H 1 1.62 0.02 . 1 . . . . 99 ARG HG3 . 15553 1 848 . 1 1 71 71 ARG C C 13 176.24 0.10 . 1 . . . . 99 ARG C . 15553 1 849 . 1 1 71 71 ARG CA C 13 54.45 0.10 . 1 . . . . 99 ARG CA . 15553 1 850 . 1 1 71 71 ARG CB C 13 33.08 0.10 . 1 . . . . 99 ARG CB . 15553 1 851 . 1 1 71 71 ARG CD C 13 43.99 0.10 . 1 . . . . 99 ARG CD . 15553 1 852 . 1 1 71 71 ARG CG C 13 27.68 0.10 . 1 . . . . 99 ARG CG . 15553 1 853 . 1 1 71 71 ARG N N 15 116.65 0.10 . 1 . . . . 99 ARG N . 15553 1 854 . 1 1 71 71 ARG NE N 15 86.10 0.10 . 1 . . . . 99 ARG NE . 15553 1 855 . 1 1 72 72 THR H H 1 8.74 0.02 . 1 . . . . 100 THR H . 15553 1 856 . 1 1 72 72 THR HA H 1 4.38 0.02 . 1 . . . . 100 THR HA . 15553 1 857 . 1 1 72 72 THR HB H 1 4.11 0.02 . 1 . . . . 100 THR HB . 15553 1 858 . 1 1 72 72 THR HG21 H 1 1.32 0.02 . 1 . . . . 100 THR HG2 . 15553 1 859 . 1 1 72 72 THR HG22 H 1 1.32 0.02 . 1 . . . . 100 THR HG2 . 15553 1 860 . 1 1 72 72 THR HG23 H 1 1.32 0.02 . 1 . . . . 100 THR HG2 . 15553 1 861 . 1 1 72 72 THR C C 13 173.04 0.10 . 1 . . . . 100 THR C . 15553 1 862 . 1 1 72 72 THR CA C 13 65.24 0.10 . 1 . . . . 100 THR CA . 15553 1 863 . 1 1 72 72 THR CB C 13 70.01 0.10 . 1 . . . . 100 THR CB . 15553 1 864 . 1 1 72 72 THR CG2 C 13 22.62 0.10 . 1 . . . . 100 THR CG2 . 15553 1 865 . 1 1 72 72 THR N N 15 116.16 0.10 . 1 . . . . 100 THR N . 15553 1 866 . 1 1 73 73 GLN H H 1 7.29 0.02 . 1 . . . . 101 GLN H . 15553 1 867 . 1 1 73 73 GLN HA H 1 5.22 0.02 . 1 . . . . 101 GLN HA . 15553 1 868 . 1 1 73 73 GLN HB2 H 1 1.96 0.02 . 1 . . . . 101 GLN HB2 . 15553 1 869 . 1 1 73 73 GLN HB3 H 1 2.05 0.02 . 1 . . . . 101 GLN HB3 . 15553 1 870 . 1 1 73 73 GLN HE21 H 1 6.61 0.02 . 1 . . . . 101 GLN HE21 . 15553 1 871 . 1 1 73 73 GLN HE22 H 1 7.59 0.02 . 1 . . . . 101 GLN HE22 . 15553 1 872 . 1 1 73 73 GLN HG2 H 1 2.28 0.02 . 1 . . . . 101 GLN HG2 . 15553 1 873 . 1 1 73 73 GLN HG3 H 1 2.28 0.02 . 1 . . . . 101 GLN HG3 . 15553 1 874 . 1 1 73 73 GLN C C 13 174.24 0.10 . 1 . . . . 101 GLN C . 15553 1 875 . 1 1 73 73 GLN CA C 13 54.06 0.10 . 1 . . . . 101 GLN CA . 15553 1 876 . 1 1 73 73 GLN CB C 13 31.38 0.10 . 1 . . . . 101 GLN CB . 15553 1 877 . 1 1 73 73 GLN CD C 13 180.07 0.10 . 1 . . . . 101 GLN CD . 15553 1 878 . 1 1 73 73 GLN CG C 13 32.68 0.10 . 1 . . . . 101 GLN CG . 15553 1 879 . 1 1 73 73 GLN N N 15 115.13 0.10 . 1 . . . . 101 GLN N . 15553 1 880 . 1 1 73 73 GLN NE2 N 15 110.90 0.10 . 1 . . . . 101 GLN NE2 . 15553 1 881 . 1 1 74 74 CYS H H 1 8.77 0.02 . 1 . . . . 102 CYS H . 15553 1 882 . 1 1 74 74 CYS HA H 1 4.68 0.02 . 1 . . . . 102 CYS HA . 15553 1 883 . 1 1 74 74 CYS HB2 H 1 2.97 0.02 . 1 . . . . 102 CYS HB2 . 15553 1 884 . 1 1 74 74 CYS HB3 H 1 2.97 0.02 . 1 . . . . 102 CYS HB3 . 15553 1 885 . 1 1 74 74 CYS C C 13 170.92 0.10 . 1 . . . . 102 CYS C . 15553 1 886 . 1 1 74 74 CYS CA C 13 54.88 0.10 . 1 . . . . 102 CYS CA . 15553 1 887 . 1 1 74 74 CYS CB C 13 45.82 0.10 . 1 . . . . 102 CYS CB . 15553 1 888 . 1 1 74 74 CYS N N 15 119.55 0.10 . 1 . . . . 102 CYS N . 15553 1 889 . 1 1 75 75 VAL H H 1 8.46 0.02 . 1 . . . . 103 VAL H . 15553 1 890 . 1 1 75 75 VAL HA H 1 5.28 0.02 . 1 . . . . 103 VAL HA . 15553 1 891 . 1 1 75 75 VAL HB H 1 1.83 0.02 . 1 . . . . 103 VAL HB . 15553 1 892 . 1 1 75 75 VAL HG11 H 1 0.83 0.02 . 1 . . . . 103 VAL HG1 . 15553 1 893 . 1 1 75 75 VAL HG12 H 1 0.83 0.02 . 1 . . . . 103 VAL HG1 . 15553 1 894 . 1 1 75 75 VAL HG13 H 1 0.83 0.02 . 1 . . . . 103 VAL HG1 . 15553 1 895 . 1 1 75 75 VAL HG21 H 1 0.89 0.02 . 1 . . . . 103 VAL HG2 . 15553 1 896 . 1 1 75 75 VAL HG22 H 1 0.89 0.02 . 1 . . . . 103 VAL HG2 . 15553 1 897 . 1 1 75 75 VAL HG23 H 1 0.89 0.02 . 1 . . . . 103 VAL HG2 . 15553 1 898 . 1 1 75 75 VAL C C 13 175.85 0.10 . 1 . . . . 103 VAL C . 15553 1 899 . 1 1 75 75 VAL CA C 13 60.95 0.10 . 1 . . . . 103 VAL CA . 15553 1 900 . 1 1 75 75 VAL CB C 13 34.53 0.10 . 1 . . . . 103 VAL CB . 15553 1 901 . 1 1 75 75 VAL CG1 C 13 20.67 0.10 . 1 . . . . 103 VAL CG1 . 15553 1 902 . 1 1 75 75 VAL CG2 C 13 21.19 0.10 . 1 . . . . 103 VAL CG2 . 15553 1 903 . 1 1 75 75 VAL N N 15 125.28 0.10 . 1 . . . . 103 VAL N . 15553 1 904 . 1 1 76 76 VAL H H 1 8.23 0.02 . 1 . . . . 104 VAL H . 15553 1 905 . 1 1 76 76 VAL HA H 1 4.20 0.02 . 1 . . . . 104 VAL HA . 15553 1 906 . 1 1 76 76 VAL HB H 1 1.65 0.02 . 1 . . . . 104 VAL HB . 15553 1 907 . 1 1 76 76 VAL HG11 H 1 0.79 0.02 . 1 . . . . 104 VAL HG1 . 15553 1 908 . 1 1 76 76 VAL HG12 H 1 0.79 0.02 . 1 . . . . 104 VAL HG1 . 15553 1 909 . 1 1 76 76 VAL HG13 H 1 0.79 0.02 . 1 . . . . 104 VAL HG1 . 15553 1 910 . 1 1 76 76 VAL HG21 H 1 0.78 0.02 . 1 . . . . 104 VAL HG2 . 15553 1 911 . 1 1 76 76 VAL HG22 H 1 0.78 0.02 . 1 . . . . 104 VAL HG2 . 15553 1 912 . 1 1 76 76 VAL HG23 H 1 0.78 0.02 . 1 . . . . 104 VAL HG2 . 15553 1 913 . 1 1 76 76 VAL C C 13 174.22 0.10 . 1 . . . . 104 VAL C . 15553 1 914 . 1 1 76 76 VAL CA C 13 60.81 0.10 . 1 . . . . 104 VAL CA . 15553 1 915 . 1 1 76 76 VAL CB C 13 36.60 0.10 . 1 . . . . 104 VAL CB . 15553 1 916 . 1 1 76 76 VAL CG1 C 13 20.70 0.10 . 1 . . . . 104 VAL CG1 . 15553 1 917 . 1 1 76 76 VAL CG2 C 13 21.47 0.10 . 1 . . . . 104 VAL CG2 . 15553 1 918 . 1 1 76 76 VAL N N 15 126.66 0.10 . 1 . . . . 104 VAL N . 15553 1 919 . 1 1 77 77 VAL H H 1 8.73 0.02 . 1 . . . . 105 VAL H . 15553 1 920 . 1 1 77 77 VAL HA H 1 3.88 0.02 . 1 . . . . 105 VAL HA . 15553 1 921 . 1 1 77 77 VAL HB H 1 1.89 0.02 . 1 . . . . 105 VAL HB . 15553 1 922 . 1 1 77 77 VAL HG11 H 1 0.55 0.02 . 1 . . . . 105 VAL HG1 . 15553 1 923 . 1 1 77 77 VAL HG12 H 1 0.55 0.02 . 1 . . . . 105 VAL HG1 . 15553 1 924 . 1 1 77 77 VAL HG13 H 1 0.55 0.02 . 1 . . . . 105 VAL HG1 . 15553 1 925 . 1 1 77 77 VAL HG21 H 1 0.82 0.02 . 1 . . . . 105 VAL HG2 . 15553 1 926 . 1 1 77 77 VAL HG22 H 1 0.82 0.02 . 1 . . . . 105 VAL HG2 . 15553 1 927 . 1 1 77 77 VAL HG23 H 1 0.82 0.02 . 1 . . . . 105 VAL HG2 . 15553 1 928 . 1 1 77 77 VAL C C 13 175.89 0.10 . 1 . . . . 105 VAL C . 15553 1 929 . 1 1 77 77 VAL CA C 13 63.38 0.10 . 1 . . . . 105 VAL CA . 15553 1 930 . 1 1 77 77 VAL CB C 13 31.45 0.10 . 1 . . . . 105 VAL CB . 15553 1 931 . 1 1 77 77 VAL CG1 C 13 20.59 0.10 . 1 . . . . 105 VAL CG1 . 15553 1 932 . 1 1 77 77 VAL CG2 C 13 22.18 0.10 . 1 . . . . 105 VAL CG2 . 15553 1 933 . 1 1 77 77 VAL N N 15 127.31 0.10 . 1 . . . . 105 VAL N . 15553 1 934 . 1 1 78 78 ALA H H 1 8.32 0.02 . 1 . . . . 106 ALA H . 15553 1 935 . 1 1 78 78 ALA HA H 1 4.01 0.02 . 1 . . . . 106 ALA HA . 15553 1 936 . 1 1 78 78 ALA HB1 H 1 1.46 0.02 . 1 . . . . 106 ALA HB . 15553 1 937 . 1 1 78 78 ALA HB2 H 1 1.46 0.02 . 1 . . . . 106 ALA HB . 15553 1 938 . 1 1 78 78 ALA HB3 H 1 1.46 0.02 . 1 . . . . 106 ALA HB . 15553 1 939 . 1 1 78 78 ALA C C 13 175.56 0.10 . 1 . . . . 106 ALA C . 15553 1 940 . 1 1 78 78 ALA CA C 13 51.76 0.10 . 1 . . . . 106 ALA CA . 15553 1 941 . 1 1 78 78 ALA CB C 13 18.94 0.10 . 1 . . . . 106 ALA CB . 15553 1 942 . 1 1 78 78 ALA N N 15 132.05 0.10 . 1 . . . . 106 ALA N . 15553 1 943 . 1 1 79 79 GLY H H 1 6.93 0.02 . 1 . . . . 107 GLY H . 15553 1 944 . 1 1 79 79 GLY HA2 H 1 4.15 0.02 . 1 . . . . 107 GLY HA2 . 15553 1 945 . 1 1 79 79 GLY HA3 H 1 4.32 0.02 . 1 . . . . 107 GLY HA3 . 15553 1 946 . 1 1 79 79 GLY C C 13 174.20 0.10 . 1 . . . . 107 GLY C . 15553 1 947 . 1 1 79 79 GLY CA C 13 45.87 0.10 . 1 . . . . 107 GLY CA . 15553 1 948 . 1 1 79 79 GLY N N 15 111.94 0.10 . 1 . . . . 107 GLY N . 15553 1 949 . 1 1 80 80 SER H H 1 8.30 0.02 . 1 . . . . 108 SER H . 15553 1 950 . 1 1 80 80 SER HA H 1 4.75 0.02 . 1 . . . . 108 SER HA . 15553 1 951 . 1 1 80 80 SER HB2 H 1 4.02 0.02 . 1 . . . . 108 SER HB2 . 15553 1 952 . 1 1 80 80 SER HB3 H 1 4.09 0.02 . 1 . . . . 108 SER HB3 . 15553 1 953 . 1 1 80 80 SER C C 13 174.71 0.10 . 1 . . . . 108 SER C . 15553 1 954 . 1 1 80 80 SER CA C 13 59.58 0.10 . 1 . . . . 108 SER CA . 15553 1 955 . 1 1 80 80 SER CB C 13 63.80 0.10 . 1 . . . . 108 SER CB . 15553 1 956 . 1 1 80 80 SER N N 15 114.58 0.10 . 1 . . . . 108 SER N . 15553 1 957 . 1 1 81 81 ASP H H 1 8.37 0.02 . 1 . . . . 109 ASP H . 15553 1 958 . 1 1 81 81 ASP HA H 1 4.39 0.02 . 1 . . . . 109 ASP HA . 15553 1 959 . 1 1 81 81 ASP HB2 H 1 2.59 0.02 . 1 . . . . 109 ASP HB2 . 15553 1 960 . 1 1 81 81 ASP HB3 H 1 2.59 0.02 . 1 . . . . 109 ASP HB3 . 15553 1 961 . 1 1 81 81 ASP C C 13 176.44 0.10 . 1 . . . . 109 ASP C . 15553 1 962 . 1 1 81 81 ASP CA C 13 56.51 0.10 . 1 . . . . 109 ASP CA . 15553 1 963 . 1 1 81 81 ASP CB C 13 40.27 0.10 . 1 . . . . 109 ASP CB . 15553 1 964 . 1 1 81 81 ASP N N 15 119.51 0.10 . 1 . . . . 109 ASP N . 15553 1 965 . 1 1 82 82 ALA H H 1 7.58 0.02 . 1 . . . . 110 ALA H . 15553 1 966 . 1 1 82 82 ALA HA H 1 4.10 0.02 . 1 . . . . 110 ALA HA . 15553 1 967 . 1 1 82 82 ALA HB1 H 1 0.80 0.02 . 1 . . . . 110 ALA HB . 15553 1 968 . 1 1 82 82 ALA HB2 H 1 0.80 0.02 . 1 . . . . 110 ALA HB . 15553 1 969 . 1 1 82 82 ALA HB3 H 1 0.80 0.02 . 1 . . . . 110 ALA HB . 15553 1 970 . 1 1 82 82 ALA C C 13 176.27 0.10 . 1 . . . . 110 ALA C . 15553 1 971 . 1 1 82 82 ALA CA C 13 52.64 0.10 . 1 . . . . 110 ALA CA . 15553 1 972 . 1 1 82 82 ALA CB C 13 20.27 0.10 . 1 . . . . 110 ALA CB . 15553 1 973 . 1 1 82 82 ALA N N 15 119.67 0.10 . 1 . . . . 110 ALA N . 15553 1 974 . 1 1 83 83 PHE H H 1 7.84 0.02 . 1 . . . . 111 PHE H . 15553 1 975 . 1 1 83 83 PHE HA H 1 4.79 0.02 . 1 . . . . 111 PHE HA . 15553 1 976 . 1 1 83 83 PHE HB2 H 1 2.23 0.02 . 1 . . . . 111 PHE HB2 . 15553 1 977 . 1 1 83 83 PHE HB3 H 1 2.68 0.02 . 1 . . . . 111 PHE HB3 . 15553 1 978 . 1 1 83 83 PHE HD1 H 1 6.88 0.02 . 3 . . . . 111 PHE HD1 . 15553 1 979 . 1 1 83 83 PHE HD2 H 1 6.88 0.02 . 3 . . . . 111 PHE HD2 . 15553 1 980 . 1 1 83 83 PHE HE1 H 1 6.95 0.02 . 3 . . . . 111 PHE HE1 . 15553 1 981 . 1 1 83 83 PHE HE2 H 1 6.95 0.02 . 3 . . . . 111 PHE HE2 . 15553 1 982 . 1 1 83 83 PHE HZ H 1 7.14 0.02 . 1 . . . . 111 PHE HZ . 15553 1 983 . 1 1 83 83 PHE CA C 13 54.45 0.10 . 1 . . . . 111 PHE CA . 15553 1 984 . 1 1 83 83 PHE CB C 13 41.80 0.10 . 1 . . . . 111 PHE CB . 15553 1 985 . 1 1 83 83 PHE CD1 C 13 132.11 0.10 . 3 . . . . 111 PHE CD1 . 15553 1 986 . 1 1 83 83 PHE CD2 C 13 132.11 0.10 . 3 . . . . 111 PHE CD2 . 15553 1 987 . 1 1 83 83 PHE CE1 C 13 129.77 0.10 . 3 . . . . 111 PHE CE1 . 15553 1 988 . 1 1 83 83 PHE CE2 C 13 129.77 0.10 . 3 . . . . 111 PHE CE2 . 15553 1 989 . 1 1 83 83 PHE CZ C 13 129.69 0.10 . 1 . . . . 111 PHE CZ . 15553 1 990 . 1 1 83 83 PHE N N 15 114.62 0.10 . 1 . . . . 111 PHE N . 15553 1 991 . 1 1 84 84 PRO HA H 1 4.51 0.02 . 1 . . . . 112 PRO HA . 15553 1 992 . 1 1 84 84 PRO HB2 H 1 2.31 0.02 . 1 . . . . 112 PRO HB2 . 15553 1 993 . 1 1 84 84 PRO HB3 H 1 1.83 0.02 . 1 . . . . 112 PRO HB3 . 15553 1 994 . 1 1 84 84 PRO HD2 H 1 3.58 0.02 . 1 . . . . 112 PRO HD2 . 15553 1 995 . 1 1 84 84 PRO HD3 H 1 3.82 0.02 . 1 . . . . 112 PRO HD3 . 15553 1 996 . 1 1 84 84 PRO HG2 H 1 2.02 0.02 . 1 . . . . 112 PRO HG2 . 15553 1 997 . 1 1 84 84 PRO HG3 H 1 2.10 0.02 . 1 . . . . 112 PRO HG3 . 15553 1 998 . 1 1 84 84 PRO C C 13 173.98 0.10 . 1 . . . . 112 PRO C . 15553 1 999 . 1 1 84 84 PRO CA C 13 62.23 0.10 . 1 . . . . 112 PRO CA . 15553 1 1000 . 1 1 84 84 PRO CB C 13 31.99 0.10 . 1 . . . . 112 PRO CB . 15553 1 1001 . 1 1 84 84 PRO CD C 13 50.53 0.10 . 1 . . . . 112 PRO CD . 15553 1 1002 . 1 1 84 84 PRO CG C 13 27.29 0.10 . 1 . . . . 112 PRO CG . 15553 1 1003 . 1 1 85 85 ASP H H 1 8.09 0.02 . 1 . . . . 113 ASP H . 15553 1 1004 . 1 1 85 85 ASP HA H 1 5.01 0.02 . 1 . . . . 113 ASP HA . 15553 1 1005 . 1 1 85 85 ASP HB2 H 1 2.63 0.02 . 1 . . . . 113 ASP HB2 . 15553 1 1006 . 1 1 85 85 ASP HB3 H 1 2.98 0.02 . 1 . . . . 113 ASP HB3 . 15553 1 1007 . 1 1 85 85 ASP CA C 13 51.18 0.10 . 1 . . . . 113 ASP CA . 15553 1 1008 . 1 1 85 85 ASP CB C 13 42.06 0.10 . 1 . . . . 113 ASP CB . 15553 1 1009 . 1 1 85 85 ASP N N 15 117.52 0.10 . 1 . . . . 113 ASP N . 15553 1 1010 . 1 1 86 86 PRO HA H 1 4.63 0.02 . 1 . . . . 114 PRO HA . 15553 1 1011 . 1 1 86 86 PRO HB2 H 1 2.17 0.02 . 1 . . . . 114 PRO HB2 . 15553 1 1012 . 1 1 86 86 PRO HB3 H 1 2.17 0.02 . 1 . . . . 114 PRO HB3 . 15553 1 1013 . 1 1 86 86 PRO HD2 H 1 3.86 0.02 . 1 . . . . 114 PRO HD2 . 15553 1 1014 . 1 1 86 86 PRO HD3 H 1 4.47 0.02 . 1 . . . . 114 PRO HD3 . 15553 1 1015 . 1 1 86 86 PRO HG2 H 1 1.79 0.02 . 1 . . . . 114 PRO HG2 . 15553 1 1016 . 1 1 86 86 PRO HG3 H 1 2.13 0.02 . 1 . . . . 114 PRO HG3 . 15553 1 1017 . 1 1 86 86 PRO C C 13 177.03 0.10 . 1 . . . . 114 PRO C . 15553 1 1018 . 1 1 86 86 PRO CA C 13 63.08 0.10 . 1 . . . . 114 PRO CA . 15553 1 1019 . 1 1 86 86 PRO CB C 13 33.29 0.10 . 1 . . . . 114 PRO CB . 15553 1 1020 . 1 1 86 86 PRO CD C 13 50.80 0.10 . 1 . . . . 114 PRO CD . 15553 1 1021 . 1 1 86 86 PRO CG C 13 26.46 0.10 . 1 . . . . 114 PRO CG . 15553 1 1022 . 1 1 87 87 CYS H H 1 8.56 0.02 . 1 . . . . 115 CYS H . 15553 1 1023 . 1 1 87 87 CYS HA H 1 4.82 0.02 . 1 . . . . 115 CYS HA . 15553 1 1024 . 1 1 87 87 CYS HB2 H 1 3.49 0.02 . 1 . . . . 115 CYS HB2 . 15553 1 1025 . 1 1 87 87 CYS HB3 H 1 2.99 0.02 . 1 . . . . 115 CYS HB3 . 15553 1 1026 . 1 1 87 87 CYS CA C 13 54.70 0.10 . 1 . . . . 115 CYS CA . 15553 1 1027 . 1 1 87 87 CYS CB C 13 47.59 0.10 . 1 . . . . 115 CYS CB . 15553 1 1028 . 1 1 87 87 CYS N N 15 113.76 0.10 . 1 . . . . 115 CYS N . 15553 1 1029 . 1 1 88 88 PRO HA H 1 4.72 0.02 . 1 . . . . 116 PRO HA . 15553 1 1030 . 1 1 88 88 PRO HB2 H 1 1.80 0.02 . 1 . . . . 116 PRO HB2 . 15553 1 1031 . 1 1 88 88 PRO HB3 H 1 2.26 0.02 . 1 . . . . 116 PRO HB3 . 15553 1 1032 . 1 1 88 88 PRO HD2 H 1 3.50 0.02 . 1 . . . . 116 PRO HD2 . 15553 1 1033 . 1 1 88 88 PRO HD3 H 1 3.36 0.02 . 1 . . . . 116 PRO HD3 . 15553 1 1034 . 1 1 88 88 PRO HG2 H 1 1.80 0.02 . 1 . . . . 116 PRO HG2 . 15553 1 1035 . 1 1 88 88 PRO HG3 H 1 2.09 0.02 . 1 . . . . 116 PRO HG3 . 15553 1 1036 . 1 1 88 88 PRO C C 13 174.20 0.10 . 1 . . . . 116 PRO C . 15553 1 1037 . 1 1 88 88 PRO CA C 13 63.83 0.10 . 1 . . . . 116 PRO CA . 15553 1 1038 . 1 1 88 88 PRO CB C 13 31.64 0.10 . 1 . . . . 116 PRO CB . 15553 1 1039 . 1 1 88 88 PRO CD C 13 49.99 0.10 . 1 . . . . 116 PRO CD . 15553 1 1040 . 1 1 88 88 PRO CG C 13 27.74 0.10 . 1 . . . . 116 PRO CG . 15553 1 1041 . 1 1 89 89 GLY H H 1 9.25 0.02 . 1 . . . . 117 GLY H . 15553 1 1042 . 1 1 89 89 GLY HA2 H 1 3.70 0.02 . 1 . . . . 117 GLY HA2 . 15553 1 1043 . 1 1 89 89 GLY HA3 H 1 4.40 0.02 . 1 . . . . 117 GLY HA3 . 15553 1 1044 . 1 1 89 89 GLY C C 13 174.06 0.10 . 1 . . . . 117 GLY C . 15553 1 1045 . 1 1 89 89 GLY CA C 13 45.07 0.10 . 1 . . . . 117 GLY CA . 15553 1 1046 . 1 1 89 89 GLY N N 15 114.63 0.10 . 1 . . . . 117 GLY N . 15553 1 1047 . 1 1 90 90 THR H H 1 7.75 0.02 . 1 . . . . 118 THR H . 15553 1 1048 . 1 1 90 90 THR HA H 1 4.57 0.02 . 1 . . . . 118 THR HA . 15553 1 1049 . 1 1 90 90 THR HB H 1 4.31 0.02 . 1 . . . . 118 THR HB . 15553 1 1050 . 1 1 90 90 THR HG21 H 1 1.16 0.02 . 1 . . . . 118 THR HG2 . 15553 1 1051 . 1 1 90 90 THR HG22 H 1 1.16 0.02 . 1 . . . . 118 THR HG2 . 15553 1 1052 . 1 1 90 90 THR HG23 H 1 1.16 0.02 . 1 . . . . 118 THR HG2 . 15553 1 1053 . 1 1 90 90 THR C C 13 173.25 0.10 . 1 . . . . 118 THR C . 15553 1 1054 . 1 1 90 90 THR CA C 13 62.05 0.10 . 1 . . . . 118 THR CA . 15553 1 1055 . 1 1 90 90 THR CB C 13 70.88 0.10 . 1 . . . . 118 THR CB . 15553 1 1056 . 1 1 90 90 THR CG2 C 13 21.20 0.10 . 1 . . . . 118 THR CG2 . 15553 1 1057 . 1 1 90 90 THR N N 15 117.37 0.10 . 1 . . . . 118 THR N . 15553 1 1058 . 1 1 91 91 TYR H H 1 9.60 0.02 . 1 . . . . 119 TYR H . 15553 1 1059 . 1 1 91 91 TYR HA H 1 4.86 0.02 . 1 . . . . 119 TYR HA . 15553 1 1060 . 1 1 91 91 TYR HB2 H 1 3.15 0.02 . 1 . . . . 119 TYR HB2 . 15553 1 1061 . 1 1 91 91 TYR HB3 H 1 2.69 0.02 . 1 . . . . 119 TYR HB3 . 15553 1 1062 . 1 1 91 91 TYR HD1 H 1 7.23 0.02 . 3 . . . . 119 TYR HD1 . 15553 1 1063 . 1 1 91 91 TYR HD2 H 1 7.23 0.02 . 3 . . . . 119 TYR HD2 . 15553 1 1064 . 1 1 91 91 TYR HE1 H 1 6.86 0.02 . 3 . . . . 119 TYR HE1 . 15553 1 1065 . 1 1 91 91 TYR HE2 H 1 6.86 0.02 . 3 . . . . 119 TYR HE2 . 15553 1 1066 . 1 1 91 91 TYR C C 13 175.50 0.10 . 1 . . . . 119 TYR C . 15553 1 1067 . 1 1 91 91 TYR CA C 13 58.31 0.10 . 1 . . . . 119 TYR CA . 15553 1 1068 . 1 1 91 91 TYR CB C 13 38.83 0.10 . 1 . . . . 119 TYR CB . 15553 1 1069 . 1 1 91 91 TYR CD1 C 13 133.63 0.10 . 3 . . . . 119 TYR CD1 . 15553 1 1070 . 1 1 91 91 TYR CD2 C 13 133.63 0.10 . 3 . . . . 119 TYR CD2 . 15553 1 1071 . 1 1 91 91 TYR CE1 C 13 120.29 0.10 . 3 . . . . 119 TYR CE1 . 15553 1 1072 . 1 1 91 91 TYR CE2 C 13 120.29 0.10 . 3 . . . . 119 TYR CE2 . 15553 1 1073 . 1 1 91 91 TYR N N 15 131.00 0.10 . 1 . . . . 119 TYR N . 15553 1 1074 . 1 1 92 92 LYS H H 1 8.70 0.02 . 1 . . . . 120 LYS H . 15553 1 1075 . 1 1 92 92 LYS HA H 1 4.14 0.02 . 1 . . . . 120 LYS HA . 15553 1 1076 . 1 1 92 92 LYS HB2 H 1 1.13 0.02 . 1 . . . . 120 LYS HB2 . 15553 1 1077 . 1 1 92 92 LYS HB3 H 1 0.83 0.02 . 1 . . . . 120 LYS HB3 . 15553 1 1078 . 1 1 92 92 LYS HD2 H 1 1.69 0.02 . 1 . . . . 120 LYS HD2 . 15553 1 1079 . 1 1 92 92 LYS HD3 H 1 0.44 0.02 . 1 . . . . 120 LYS HD3 . 15553 1 1080 . 1 1 92 92 LYS HE2 H 1 2.85 0.02 . 1 . . . . 120 LYS HE2 . 15553 1 1081 . 1 1 92 92 LYS HE3 H 1 3.01 0.02 . 1 . . . . 120 LYS HE3 . 15553 1 1082 . 1 1 92 92 LYS HG2 H 1 0.66 0.02 . 1 . . . . 120 LYS HG2 . 15553 1 1083 . 1 1 92 92 LYS HG3 H 1 1.15 0.02 . 1 . . . . 120 LYS HG3 . 15553 1 1084 . 1 1 92 92 LYS C C 13 173.25 0.10 . 1 . . . . 120 LYS C . 15553 1 1085 . 1 1 92 92 LYS CA C 13 56.15 0.10 . 1 . . . . 120 LYS CA . 15553 1 1086 . 1 1 92 92 LYS CB C 13 34.94 0.10 . 1 . . . . 120 LYS CB . 15553 1 1087 . 1 1 92 92 LYS CD C 13 28.26 0.10 . 1 . . . . 120 LYS CD . 15553 1 1088 . 1 1 92 92 LYS CE C 13 40.75 0.10 . 1 . . . . 120 LYS CE . 15553 1 1089 . 1 1 92 92 LYS CG C 13 23.82 0.10 . 1 . . . . 120 LYS CG . 15553 1 1090 . 1 1 92 92 LYS N N 15 132.78 0.10 . 1 . . . . 120 LYS N . 15553 1 1091 . 1 1 93 93 TYR H H 1 8.51 0.02 . 1 . . . . 121 TYR H . 15553 1 1092 . 1 1 93 93 TYR HA H 1 4.83 0.02 . 1 . . . . 121 TYR HA . 15553 1 1093 . 1 1 93 93 TYR HB2 H 1 2.74 0.02 . 1 . . . . 121 TYR HB2 . 15553 1 1094 . 1 1 93 93 TYR HB3 H 1 3.50 0.02 . 1 . . . . 121 TYR HB3 . 15553 1 1095 . 1 1 93 93 TYR HD1 H 1 6.56 0.02 . 3 . . . . 121 TYR HD1 . 15553 1 1096 . 1 1 93 93 TYR HD2 H 1 6.56 0.02 . 3 . . . . 121 TYR HD2 . 15553 1 1097 . 1 1 93 93 TYR HE1 H 1 6.82 0.02 . 3 . . . . 121 TYR HE1 . 15553 1 1098 . 1 1 93 93 TYR HE2 H 1 6.82 0.02 . 3 . . . . 121 TYR HE2 . 15553 1 1099 . 1 1 93 93 TYR C C 13 172.62 0.10 . 1 . . . . 121 TYR C . 15553 1 1100 . 1 1 93 93 TYR CA C 13 56.26 0.10 . 1 . . . . 121 TYR CA . 15553 1 1101 . 1 1 93 93 TYR CB C 13 42.63 0.10 . 1 . . . . 121 TYR CB . 15553 1 1102 . 1 1 93 93 TYR CD1 C 13 133.81 0.10 . 3 . . . . 121 TYR CD1 . 15553 1 1103 . 1 1 93 93 TYR CD2 C 13 133.81 0.10 . 3 . . . . 121 TYR CD2 . 15553 1 1104 . 1 1 93 93 TYR CE1 C 13 118.58 0.10 . 3 . . . . 121 TYR CE1 . 15553 1 1105 . 1 1 93 93 TYR CE2 C 13 118.58 0.10 . 3 . . . . 121 TYR CE2 . 15553 1 1106 . 1 1 93 93 TYR N N 15 110.25 0.10 . 1 . . . . 121 TYR N . 15553 1 1107 . 1 1 94 94 LEU H H 1 9.45 0.02 . 1 . . . . 122 LEU H . 15553 1 1108 . 1 1 94 94 LEU HA H 1 5.40 0.02 . 1 . . . . 122 LEU HA . 15553 1 1109 . 1 1 94 94 LEU HB2 H 1 1.19 0.02 . 1 . . . . 122 LEU HB2 . 15553 1 1110 . 1 1 94 94 LEU HB3 H 1 2.05 0.02 . 1 . . . . 122 LEU HB3 . 15553 1 1111 . 1 1 94 94 LEU HD11 H 1 0.76 0.02 . 1 . . . . 122 LEU HD1 . 15553 1 1112 . 1 1 94 94 LEU HD12 H 1 0.76 0.02 . 1 . . . . 122 LEU HD1 . 15553 1 1113 . 1 1 94 94 LEU HD13 H 1 0.76 0.02 . 1 . . . . 122 LEU HD1 . 15553 1 1114 . 1 1 94 94 LEU HD21 H 1 0.92 0.02 . 1 . . . . 122 LEU HD2 . 15553 1 1115 . 1 1 94 94 LEU HD22 H 1 0.92 0.02 . 1 . . . . 122 LEU HD2 . 15553 1 1116 . 1 1 94 94 LEU HD23 H 1 0.92 0.02 . 1 . . . . 122 LEU HD2 . 15553 1 1117 . 1 1 94 94 LEU HG H 1 1.46 0.02 . 1 . . . . 122 LEU HG . 15553 1 1118 . 1 1 94 94 LEU C C 13 173.58 0.10 . 1 . . . . 122 LEU C . 15553 1 1119 . 1 1 94 94 LEU CA C 13 52.72 0.10 . 1 . . . . 122 LEU CA . 15553 1 1120 . 1 1 94 94 LEU CB C 13 47.67 0.10 . 1 . . . . 122 LEU CB . 15553 1 1121 . 1 1 94 94 LEU CD1 C 13 22.23 0.10 . 1 . . . . 122 LEU CD1 . 15553 1 1122 . 1 1 94 94 LEU CD2 C 13 26.96 0.10 . 1 . . . . 122 LEU CD2 . 15553 1 1123 . 1 1 94 94 LEU CG C 13 27.88 0.10 . 1 . . . . 122 LEU CG . 15553 1 1124 . 1 1 94 94 LEU N N 15 123.03 0.10 . 1 . . . . 122 LEU N . 15553 1 1125 . 1 1 95 95 GLU H H 1 9.05 0.02 . 1 . . . . 123 GLU H . 15553 1 1126 . 1 1 95 95 GLU HA H 1 5.40 0.02 . 1 . . . . 123 GLU HA . 15553 1 1127 . 1 1 95 95 GLU HB2 H 1 2.01 0.02 . 1 . . . . 123 GLU HB2 . 15553 1 1128 . 1 1 95 95 GLU HB3 H 1 2.13 0.02 . 1 . . . . 123 GLU HB3 . 15553 1 1129 . 1 1 95 95 GLU HG2 H 1 2.25 0.02 . 1 . . . . 123 GLU HG2 . 15553 1 1130 . 1 1 95 95 GLU HG3 H 1 2.25 0.02 . 1 . . . . 123 GLU HG3 . 15553 1 1131 . 1 1 95 95 GLU C C 13 175.28 0.10 . 1 . . . . 123 GLU C . 15553 1 1132 . 1 1 95 95 GLU CA C 13 54.58 0.10 . 1 . . . . 123 GLU CA . 15553 1 1133 . 1 1 95 95 GLU CB C 13 33.76 0.10 . 1 . . . . 123 GLU CB . 15553 1 1134 . 1 1 95 95 GLU CG C 13 36.36 0.10 . 1 . . . . 123 GLU CG . 15553 1 1135 . 1 1 95 95 GLU N N 15 126.57 0.10 . 1 . . . . 123 GLU N . 15553 1 1136 . 1 1 96 96 VAL H H 1 8.98 0.02 . 1 . . . . 124 VAL H . 15553 1 1137 . 1 1 96 96 VAL HA H 1 5.00 0.02 . 1 . . . . 124 VAL HA . 15553 1 1138 . 1 1 96 96 VAL HB H 1 1.94 0.02 . 1 . . . . 124 VAL HB . 15553 1 1139 . 1 1 96 96 VAL HG11 H 1 1.10 0.02 . 1 . . . . 124 VAL HG1 . 15553 1 1140 . 1 1 96 96 VAL HG12 H 1 1.10 0.02 . 1 . . . . 124 VAL HG1 . 15553 1 1141 . 1 1 96 96 VAL HG13 H 1 1.10 0.02 . 1 . . . . 124 VAL HG1 . 15553 1 1142 . 1 1 96 96 VAL HG21 H 1 1.04 0.02 . 1 . . . . 124 VAL HG2 . 15553 1 1143 . 1 1 96 96 VAL HG22 H 1 1.04 0.02 . 1 . . . . 124 VAL HG2 . 15553 1 1144 . 1 1 96 96 VAL HG23 H 1 1.04 0.02 . 1 . . . . 124 VAL HG2 . 15553 1 1145 . 1 1 96 96 VAL C C 13 173.44 0.10 . 1 . . . . 124 VAL C . 15553 1 1146 . 1 1 96 96 VAL CA C 13 60.70 0.10 . 1 . . . . 124 VAL CA . 15553 1 1147 . 1 1 96 96 VAL CB C 13 36.54 0.10 . 1 . . . . 124 VAL CB . 15553 1 1148 . 1 1 96 96 VAL CG1 C 13 22.37 0.10 . 1 . . . . 124 VAL CG1 . 15553 1 1149 . 1 1 96 96 VAL CG2 C 13 23.21 0.10 . 1 . . . . 124 VAL CG2 . 15553 1 1150 . 1 1 96 96 VAL N N 15 123.54 0.10 . 1 . . . . 124 VAL N . 15553 1 1151 . 1 1 97 97 GLN H H 1 8.82 0.02 . 1 . . . . 125 GLN H . 15553 1 1152 . 1 1 97 97 GLN HA H 1 5.84 0.02 . 1 . . . . 125 GLN HA . 15553 1 1153 . 1 1 97 97 GLN HB2 H 1 2.03 0.02 . 1 . . . . 125 GLN HB2 . 15553 1 1154 . 1 1 97 97 GLN HB3 H 1 2.13 0.02 . 1 . . . . 125 GLN HB3 . 15553 1 1155 . 1 1 97 97 GLN HE21 H 1 6.77 0.02 . 1 . . . . 125 GLN HE21 . 15553 1 1156 . 1 1 97 97 GLN HE22 H 1 7.51 0.02 . 1 . . . . 125 GLN HE22 . 15553 1 1157 . 1 1 97 97 GLN HG2 H 1 2.29 0.02 . 1 . . . . 125 GLN HG2 . 15553 1 1158 . 1 1 97 97 GLN HG3 H 1 2.42 0.02 . 1 . . . . 125 GLN HG3 . 15553 1 1159 . 1 1 97 97 GLN C C 13 175.84 0.10 . 1 . . . . 125 GLN C . 15553 1 1160 . 1 1 97 97 GLN CA C 13 54.27 0.10 . 1 . . . . 125 GLN CA . 15553 1 1161 . 1 1 97 97 GLN CB C 13 31.92 0.10 . 1 . . . . 125 GLN CB . 15553 1 1162 . 1 1 97 97 GLN CD C 13 179.59 0.10 . 1 . . . . 125 GLN CD . 15553 1 1163 . 1 1 97 97 GLN CG C 13 34.68 0.10 . 1 . . . . 125 GLN CG . 15553 1 1164 . 1 1 97 97 GLN N N 15 125.58 0.10 . 1 . . . . 125 GLN N . 15553 1 1165 . 1 1 97 97 GLN NE2 N 15 111.86 0.10 . 1 . . . . 125 GLN NE2 . 15553 1 1166 . 1 1 98 98 TYR H H 1 9.38 0.02 . 1 . . . . 126 TYR H . 15553 1 1167 . 1 1 98 98 TYR HA H 1 5.30 0.02 . 1 . . . . 126 TYR HA . 15553 1 1168 . 1 1 98 98 TYR HB2 H 1 2.95 0.02 . 1 . . . . 126 TYR HB2 . 15553 1 1169 . 1 1 98 98 TYR HB3 H 1 2.83 0.02 . 1 . . . . 126 TYR HB3 . 15553 1 1170 . 1 1 98 98 TYR HD1 H 1 6.91 0.02 . 3 . . . . 126 TYR HD1 . 15553 1 1171 . 1 1 98 98 TYR HD2 H 1 6.91 0.02 . 3 . . . . 126 TYR HD2 . 15553 1 1172 . 1 1 98 98 TYR HE1 H 1 6.68 0.02 . 3 . . . . 126 TYR HE1 . 15553 1 1173 . 1 1 98 98 TYR HE2 H 1 6.68 0.02 . 3 . . . . 126 TYR HE2 . 15553 1 1174 . 1 1 98 98 TYR C C 13 169.73 0.10 . 1 . . . . 126 TYR C . 15553 1 1175 . 1 1 98 98 TYR CA C 13 56.00 0.10 . 1 . . . . 126 TYR CA . 15553 1 1176 . 1 1 98 98 TYR CB C 13 41.77 0.10 . 1 . . . . 126 TYR CB . 15553 1 1177 . 1 1 98 98 TYR CD1 C 13 133.49 0.10 . 3 . . . . 126 TYR CD1 . 15553 1 1178 . 1 1 98 98 TYR CD2 C 13 133.49 0.10 . 3 . . . . 126 TYR CD2 . 15553 1 1179 . 1 1 98 98 TYR CE1 C 13 119.24 0.10 . 3 . . . . 126 TYR CE1 . 15553 1 1180 . 1 1 98 98 TYR CE2 C 13 119.24 0.10 . 3 . . . . 126 TYR CE2 . 15553 1 1181 . 1 1 98 98 TYR N N 15 123.25 0.10 . 1 . . . . 126 TYR N . 15553 1 1182 . 1 1 99 99 ASP H H 1 9.04 0.02 . 1 . . . . 127 ASP H . 15553 1 1183 . 1 1 99 99 ASP HA H 1 5.11 0.02 . 1 . . . . 127 ASP HA . 15553 1 1184 . 1 1 99 99 ASP HB2 H 1 2.64 0.02 . 1 . . . . 127 ASP HB2 . 15553 1 1185 . 1 1 99 99 ASP HB3 H 1 2.64 0.02 . 1 . . . . 127 ASP HB3 . 15553 1 1186 . 1 1 99 99 ASP C C 13 175.24 0.10 . 1 . . . . 127 ASP C . 15553 1 1187 . 1 1 99 99 ASP CA C 13 50.63 0.10 . 1 . . . . 127 ASP CA . 15553 1 1188 . 1 1 99 99 ASP CB C 13 44.79 0.10 . 1 . . . . 127 ASP CB . 15553 1 1189 . 1 1 99 99 ASP N N 15 120.41 0.10 . 1 . . . . 127 ASP N . 15553 1 1190 . 1 1 100 100 CYS H H 1 8.61 0.02 . 1 . . . . 128 CYS H . 15553 1 1191 . 1 1 100 100 CYS HA H 1 5.63 0.02 . 1 . . . . 128 CYS HA . 15553 1 1192 . 1 1 100 100 CYS HB2 H 1 2.86 0.02 . 1 . . . . 128 CYS HB2 . 15553 1 1193 . 1 1 100 100 CYS HB3 H 1 2.83 0.02 . 1 . . . . 128 CYS HB3 . 15553 1 1194 . 1 1 100 100 CYS C C 13 174.38 0.10 . 1 . . . . 128 CYS C . 15553 1 1195 . 1 1 100 100 CYS CA C 13 54.35 0.10 . 1 . . . . 128 CYS CA . 15553 1 1196 . 1 1 100 100 CYS CB C 13 43.04 0.10 . 1 . . . . 128 CYS CB . 15553 1 1197 . 1 1 100 100 CYS N N 15 119.59 0.10 . 1 . . . . 128 CYS N . 15553 1 1198 . 1 1 101 101 VAL H H 1 9.86 0.02 . 1 . . . . 129 VAL H . 15553 1 1199 . 1 1 101 101 VAL HA H 1 4.86 0.02 . 1 . . . . 129 VAL HA . 15553 1 1200 . 1 1 101 101 VAL HB H 1 2.25 0.02 . 1 . . . . 129 VAL HB . 15553 1 1201 . 1 1 101 101 VAL HG11 H 1 0.89 0.02 . 1 . . . . 129 VAL HG1 . 15553 1 1202 . 1 1 101 101 VAL HG12 H 1 0.89 0.02 . 1 . . . . 129 VAL HG1 . 15553 1 1203 . 1 1 101 101 VAL HG13 H 1 0.89 0.02 . 1 . . . . 129 VAL HG1 . 15553 1 1204 . 1 1 101 101 VAL HG21 H 1 0.82 0.02 . 1 . . . . 129 VAL HG2 . 15553 1 1205 . 1 1 101 101 VAL HG22 H 1 0.82 0.02 . 1 . . . . 129 VAL HG2 . 15553 1 1206 . 1 1 101 101 VAL HG23 H 1 0.82 0.02 . 1 . . . . 129 VAL HG2 . 15553 1 1207 . 1 1 101 101 VAL CA C 13 57.98 0.10 . 1 . . . . 129 VAL CA . 15553 1 1208 . 1 1 101 101 VAL CB C 13 33.37 0.10 . 1 . . . . 129 VAL CB . 15553 1 1209 . 1 1 101 101 VAL CG1 C 13 21.61 0.10 . 1 . . . . 129 VAL CG1 . 15553 1 1210 . 1 1 101 101 VAL CG2 C 13 19.23 0.10 . 1 . . . . 129 VAL CG2 . 15553 1 1211 . 1 1 101 101 VAL N N 15 121.41 0.10 . 1 . . . . 129 VAL N . 15553 1 1212 . 1 1 102 102 PRO HA H 1 4.58 0.02 . 1 . . . . 130 PRO HA . 15553 1 1213 . 1 1 102 102 PRO HB2 H 1 2.30 0.02 . 1 . . . . 130 PRO HB2 . 15553 1 1214 . 1 1 102 102 PRO HB3 H 1 1.75 0.02 . 1 . . . . 130 PRO HB3 . 15553 1 1215 . 1 1 102 102 PRO HD2 H 1 3.61 0.02 . 1 . . . . 130 PRO HD2 . 15553 1 1216 . 1 1 102 102 PRO HD3 H 1 3.83 0.02 . 1 . . . . 130 PRO HD3 . 15553 1 1217 . 1 1 102 102 PRO HG2 H 1 2.03 0.02 . 1 . . . . 130 PRO HG2 . 15553 1 1218 . 1 1 102 102 PRO HG3 H 1 2.03 0.02 . 1 . . . . 130 PRO HG3 . 15553 1 1219 . 1 1 102 102 PRO C C 13 177.12 0.10 . 1 . . . . 130 PRO C . 15553 1 1220 . 1 1 102 102 PRO CA C 13 62.82 0.10 . 1 . . . . 130 PRO CA . 15553 1 1221 . 1 1 102 102 PRO CB C 13 32.02 0.10 . 1 . . . . 130 PRO CB . 15553 1 1222 . 1 1 102 102 PRO CD C 13 50.53 0.10 . 1 . . . . 130 PRO CD . 15553 1 1223 . 1 1 102 102 PRO CG C 13 27.86 0.10 . 1 . . . . 130 PRO CG . 15553 1 1224 . 1 1 103 103 TYR H H 1 8.63 0.02 . 1 . . . . 131 TYR H . 15553 1 1225 . 1 1 103 103 TYR HA H 1 4.44 0.02 . 1 . . . . 131 TYR HA . 15553 1 1226 . 1 1 103 103 TYR HB2 H 1 3.14 0.02 . 1 . . . . 131 TYR HB2 . 15553 1 1227 . 1 1 103 103 TYR HB3 H 1 2.90 0.02 . 1 . . . . 131 TYR HB3 . 15553 1 1228 . 1 1 103 103 TYR HD1 H 1 7.07 0.02 . 3 . . . . 131 TYR HD1 . 15553 1 1229 . 1 1 103 103 TYR HD2 H 1 7.07 0.02 . 3 . . . . 131 TYR HD2 . 15553 1 1230 . 1 1 103 103 TYR HE1 H 1 6.80 0.02 . 3 . . . . 131 TYR HE1 . 15553 1 1231 . 1 1 103 103 TYR HE2 H 1 6.80 0.02 . 3 . . . . 131 TYR HE2 . 15553 1 1232 . 1 1 103 103 TYR C C 13 174.98 0.10 . 1 . . . . 131 TYR C . 15553 1 1233 . 1 1 103 103 TYR CA C 13 58.18 0.10 . 1 . . . . 131 TYR CA . 15553 1 1234 . 1 1 103 103 TYR CB C 13 39.15 0.10 . 1 . . . . 131 TYR CB . 15553 1 1235 . 1 1 103 103 TYR CD1 C 13 133.23 0.10 . 3 . . . . 131 TYR CD1 . 15553 1 1236 . 1 1 103 103 TYR CD2 C 13 133.23 0.10 . 3 . . . . 131 TYR CD2 . 15553 1 1237 . 1 1 103 103 TYR CE1 C 13 117.98 0.10 . 3 . . . . 131 TYR CE1 . 15553 1 1238 . 1 1 103 103 TYR CE2 C 13 117.98 0.10 . 3 . . . . 131 TYR CE2 . 15553 1 1239 . 1 1 103 103 TYR N N 15 123.46 0.10 . 1 . . . . 131 TYR N . 15553 1 1240 . 1 1 104 104 LYS H H 1 7.84 0.02 . 1 . . . . 132 LYS H . 15553 1 1241 . 1 1 104 104 LYS HA H 1 4.28 0.02 . 1 . . . . 132 LYS HA . 15553 1 1242 . 1 1 104 104 LYS HB2 H 1 1.55 0.02 . 1 . . . . 132 LYS HB2 . 15553 1 1243 . 1 1 104 104 LYS HB3 H 1 1.65 0.02 . 1 . . . . 132 LYS HB3 . 15553 1 1244 . 1 1 104 104 LYS HD2 H 1 1.60 0.02 . 1 . . . . 132 LYS HD2 . 15553 1 1245 . 1 1 104 104 LYS HD3 H 1 1.60 0.02 . 1 . . . . 132 LYS HD3 . 15553 1 1246 . 1 1 104 104 LYS HE2 H 1 2.93 0.02 . 1 . . . . 132 LYS HE2 . 15553 1 1247 . 1 1 104 104 LYS HE3 H 1 2.93 0.02 . 1 . . . . 132 LYS HE3 . 15553 1 1248 . 1 1 104 104 LYS HG2 H 1 1.23 0.02 . 1 . . . . 132 LYS HG2 . 15553 1 1249 . 1 1 104 104 LYS HG3 H 1 1.23 0.02 . 1 . . . . 132 LYS HG3 . 15553 1 1250 . 1 1 104 104 LYS C C 13 174.76 0.10 . 1 . . . . 132 LYS C . 15553 1 1251 . 1 1 104 104 LYS CA C 13 55.41 0.10 . 1 . . . . 132 LYS CA . 15553 1 1252 . 1 1 104 104 LYS CB C 13 34.13 0.10 . 1 . . . . 132 LYS CB . 15553 1 1253 . 1 1 104 104 LYS CD C 13 29.18 0.10 . 1 . . . . 132 LYS CD . 15553 1 1254 . 1 1 104 104 LYS CE C 13 42.18 0.10 . 1 . . . . 132 LYS CE . 15553 1 1255 . 1 1 104 104 LYS CG C 13 24.40 0.10 . 1 . . . . 132 LYS CG . 15553 1 1256 . 1 1 104 104 LYS N N 15 126.52 0.10 . 1 . . . . 132 LYS N . 15553 1 1257 . 1 1 105 105 VAL H H 1 8.09 0.02 . 1 . . . . 133 VAL H . 15553 1 1258 . 1 1 105 105 VAL HA H 1 3.99 0.02 . 1 . . . . 133 VAL HA . 15553 1 1259 . 1 1 105 105 VAL HB H 1 2.00 0.02 . 1 . . . . 133 VAL HB . 15553 1 1260 . 1 1 105 105 VAL HG11 H 1 0.91 0.02 . 1 . . . . 133 VAL HG1 . 15553 1 1261 . 1 1 105 105 VAL HG12 H 1 0.91 0.02 . 1 . . . . 133 VAL HG1 . 15553 1 1262 . 1 1 105 105 VAL HG13 H 1 0.91 0.02 . 1 . . . . 133 VAL HG1 . 15553 1 1263 . 1 1 105 105 VAL HG21 H 1 0.91 0.02 . 1 . . . . 133 VAL HG2 . 15553 1 1264 . 1 1 105 105 VAL HG22 H 1 0.91 0.02 . 1 . . . . 133 VAL HG2 . 15553 1 1265 . 1 1 105 105 VAL HG23 H 1 0.91 0.02 . 1 . . . . 133 VAL HG2 . 15553 1 1266 . 1 1 105 105 VAL C C 13 175.28 0.10 . 1 . . . . 133 VAL C . 15553 1 1267 . 1 1 105 105 VAL CA C 13 62.41 0.10 . 1 . . . . 133 VAL CA . 15553 1 1268 . 1 1 105 105 VAL CB C 13 32.63 0.10 . 1 . . . . 133 VAL CB . 15553 1 1269 . 1 1 105 105 VAL CG1 C 13 20.79 0.10 . 1 . . . . 133 VAL CG1 . 15553 1 1270 . 1 1 105 105 VAL CG2 C 13 21.17 0.10 . 1 . . . . 133 VAL CG2 . 15553 1 1271 . 1 1 105 105 VAL N N 15 123.31 0.10 . 1 . . . . 133 VAL N . 15553 1 1272 . 1 1 106 106 GLU H H 1 7.91 0.02 . 1 . . . . 134 GLU H . 15553 1 1273 . 1 1 106 106 GLU HA H 1 4.12 0.02 . 1 . . . . 134 GLU HA . 15553 1 1274 . 1 1 106 106 GLU HB2 H 1 1.87 0.02 . 1 . . . . 134 GLU HB2 . 15553 1 1275 . 1 1 106 106 GLU HB3 H 1 2.00 0.02 . 1 . . . . 134 GLU HB3 . 15553 1 1276 . 1 1 106 106 GLU HG2 H 1 2.15 0.02 . 1 . . . . 134 GLU HG2 . 15553 1 1277 . 1 1 106 106 GLU HG3 H 1 2.15 0.02 . 1 . . . . 134 GLU HG3 . 15553 1 1278 . 1 1 106 106 GLU CA C 13 57.92 0.10 . 1 . . . . 134 GLU CA . 15553 1 1279 . 1 1 106 106 GLU CB C 13 31.48 0.10 . 1 . . . . 134 GLU CB . 15553 1 1280 . 1 1 106 106 GLU CG C 13 36.62 0.10 . 1 . . . . 134 GLU CG . 15553 1 1281 . 1 1 106 106 GLU N N 15 129.64 0.10 . 1 . . . . 134 GLU N . 15553 1 1282 . 2 2 1 1 NAG H1 H 1 5.07 0.02 . 1 . . . . 135 NAG H1 . 15553 1 1283 . 2 2 1 1 NAG H2 H 1 3.80 0.02 . 1 . . . . 135 NAG H2 . 15553 1 1284 . 2 2 1 1 NAG H3 H 1 3.70 0.02 . 1 . . . . 135 NAG H3 . 15553 1 1285 . 2 2 1 1 NAG H4 H 1 3.51 0.02 . 1 . . . . 135 NAG H4 . 15553 1 1286 . 2 2 1 1 NAG H5 H 1 3.51 0.02 . 1 . . . . 135 NAG H5 . 15553 1 1287 . 2 2 1 1 NAG H61 H 1 3.88 0.02 . 1 . . . . 135 NAG H61 . 15553 1 1288 . 2 2 1 1 NAG H62 H 1 3.77 0.02 . 1 . . . . 135 NAG H62 . 15553 1 1289 . 2 2 1 1 NAG H8 H 1 2.02 0.02 . 1 . . . . 135 NAG H8 . 15553 1 1290 . 2 2 1 1 NAG HN2 H 1 8.28 0.02 . 1 . . . . 135 NAG HN2 . 15553 1 1291 . 2 2 1 1 NAG C1 C 13 81.49 0.10 . 1 . . . . 135 NAG C1 . 15553 1 1292 . 2 2 1 1 NAG C2 C 13 57.53 0.10 . 1 . . . . 135 NAG C2 . 15553 1 1293 . 2 2 1 1 NAG C3 C 13 76.72 0.10 . 1 . . . . 135 NAG C3 . 15553 1 1294 . 2 2 1 1 NAG C4 C 13 72.44 0.10 . 1 . . . . 135 NAG C4 . 15553 1 1295 . 2 2 1 1 NAG C5 C 13 80.20 0.10 . 1 . . . . 135 NAG C5 . 15553 1 1296 . 2 2 1 1 NAG C6 C 13 63.43 0.10 . 1 . . . . 135 NAG C6 . 15553 1 1297 . 2 2 1 1 NAG C7 C 13 177.37 0.10 . 1 . . . . 135 NAG C7 . 15553 1 1298 . 2 2 1 1 NAG C8 C 13 25.22 0.10 . 1 . . . . 135 NAG C8 . 15553 1 1299 . 2 2 1 1 NAG N2 N 15 129.64 0.10 . 1 . . . . 135 NAG N2 . 15553 1 stop_ save_