data_17973 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17973 _Entry.Title ; Onconase zymogen FLG variant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-04 _Entry.Accession_date 2011-10-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; The Onconase zymogen FLG is a circular permutated variant of wt onconasa with a insertion of 16 residues linking the wt N- and C-termini. The N-and C-termini of the variant correspond to positions 72 and 73 of wt onconase. ; _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 Maria Vilanova . . . 17973 2 Mariona Callis . . . 17973 3 Douglas Laurents . V. . 17973 4 Marc Ribo . . . 17973 5 Marta Bruix . . . 17973 6 Soraya Serrano . . . 17973 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Instituto de Quimica Fisica Rocasolano-CSIC' . 17973 2 . 'Universitat de Girona' . 17973 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17973 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 495 17973 '15N chemical shifts' 125 17973 '1H chemical shifts' 816 17973 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 . . 2013-03-25 2011-10-04 update BMRB 'update entry citation' 17973 1 . . 2012-03-09 2011-10-04 original author 'original release' 17973 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17973 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22392335 _Citation.Full_citation . _Citation.Title '(1)H, (13)C and (15)N resonance assignments of the Onconase FL-G zymogen.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 13 _Citation.Page_last 15 _Citation.Year 2013 _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 Soraya Serrano . . . 17973 1 2 Mariona Callis . . . 17973 1 3 Maria Vilanova . . . 17973 1 4 Antoni Benito . . . 17973 1 5 Douglas Laurents . V. . 17973 1 6 Marc Ribo . . . 17973 1 7 Marta Bruix . . . 17973 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17973 _Assembly.ID 1 _Assembly.Name 'onconase FLG variant' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'onconase FLG variant' 1 $onconase_FLG_variant A . yes native no no . . . 17973 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 disulfide single . 1 . 1 CYS 15 15 SG . 1 . 1 CYS 32 32 SG . . . . . . . . . . 17973 1 2 disulfide single . 1 . 1 CYS 18 18 SG . 1 . 1 CYS 96 96 SG . . . . . . . . . . 17973 1 3 disulfide single . 1 . 1 CYS 3 3 SG . 1 . 1 CYS 78 78 SG . . . . . . . . . . 17973 1 4 disulfide single . 1 . 1 CYS 67 67 SG . 1 . 1 CYS 116 116 SG . . . . . . . . . . 17973 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_onconase_FLG_variant _Entity.Sf_category entity _Entity.Sf_framecode onconase_FLG_variant _Entity.Entry_ID 17973 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name onconase_FLG_variant _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 ; RPCKYKLKKSTNKFCVTCEN QAPVHFVGVGSCGSGGSGIF LETSLSAGSDWLTFQKKHIT NTRDVDCXNIMSTNLFHCKD KNTFIYSRPEPVKAICKGII ASKNVLTTSEFYLSDCNVTS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq S1D2W3L4T5F6Q7K8K9H10I11T12N13T14R15D16V17D18C19D20N21I22N23S24T25N26L27F28H29C30K31D32L33N34T35F36I37Y38S39R40P41E42P43V44K45A46I47C48K49G50I51I52A53S54K55N56V57L58T59T60S61E62F63Y64L6566D67C68N69V70T71S72R73P74C75K76Y77K78L79K80K81S82T83N84K85F86C87V88T89C90E91N92Q93A94P95V96H97F98V99G100V101G102S103C104 _Entity.Polymer_author_seq_details ; It's a circular permutated variant of wt onconase. Insertion of 16 amino acids linking the wt N- and C-termini. N-and C-termini of this variant correspond to positions 73 and 72 in the wt onconase. ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment FL-G _Entity.Mutation 'Insertion of 16 amino acids: GSGGSGIFLETSLSAG in the wt onconase sequence' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13225.1 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes BMRB 4173 . Onc . . . . . . . . . . . . . . 17973 1 2 yes BMRB 5835 . Onc . . . . . . . . . . . . . . 17973 1 3 yes BMRB 16040 . Onc . . . . . . . . . . . . . . 17973 1 4 yes PDB 1ONC . Onc . . . . . . . . . . . . . . 17973 1 5 yes PDB 1PU3 . Onc . . . . . . . . . . . . . . 17973 1 6 yes PDB 1YV4 . Onc . . . . . . . . . . . . . . 17973 1 7 yes PDB 1YV6 . Onc . . . . . . . . . . . . . . 17973 1 8 yes PDB 1YV7 . Onc . . . . . . . . . . . . . . 17973 1 9 yes PDB 2GMK . Onc . . . . . . . . . . . . . . 17973 1 10 yes PDB 2I5S . Onc . . . . . . . . . . . . . . 17973 1 11 yes PDB 2KB6 . Onc . . . . . . . . . . . . . . 17973 1 12 yes PDB 3FD7 . Onc . . . . . . . . . . . . . . 17973 1 13 yes PDB 3HG6 . Onc . . . . . . . . . . . . . . 17973 1 14 yes PDB 3PHM . Onc . . . . . . . . . . . . . . 17973 1 15 yes GB AAL54383 . Onc . . . . . . . . . . . . . . 17973 1 16 yes SP P22069 . Onc . . . . . . . . . . . . . . 17973 1 17 no PDB 2LT5 . "Zymogen-flg Of The Onconase" . . . . . 100.00 120 99.17 99.17 8.14e-81 . . . . 17973 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'antitumor protein' 17973 1 'cytotoxic protein' 17973 1 hydrolase-ribonuclease 17973 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 . ARG . 17973 1 2 . PRO . 17973 1 3 . CYS . 17973 1 4 . LYS . 17973 1 5 . TYR . 17973 1 6 . LYS . 17973 1 7 . LEU . 17973 1 8 . LYS . 17973 1 9 . LYS . 17973 1 10 . SER . 17973 1 11 . THR . 17973 1 12 . ASN . 17973 1 13 . LYS . 17973 1 14 . PHE . 17973 1 15 . CYS . 17973 1 16 . VAL . 17973 1 17 . THR . 17973 1 18 . CYS . 17973 1 19 . GLU . 17973 1 20 . ASN . 17973 1 21 . GLN . 17973 1 22 . ALA . 17973 1 23 . PRO . 17973 1 24 . VAL . 17973 1 25 . HIS . 17973 1 26 . PHE . 17973 1 27 . VAL . 17973 1 28 . GLY . 17973 1 29 . VAL . 17973 1 30 . GLY . 17973 1 31 . SER . 17973 1 32 . CYS . 17973 1 33 . GLY . 17973 1 34 . SER . 17973 1 35 . GLY . 17973 1 36 . GLY . 17973 1 37 . SER . 17973 1 38 . GLY . 17973 1 39 . ILE . 17973 1 40 . PHE . 17973 1 41 . LEU . 17973 1 42 . GLU . 17973 1 43 . THR . 17973 1 44 . SER . 17973 1 45 . LEU . 17973 1 46 . SER . 17973 1 47 . ALA . 17973 1 48 . GLY . 17973 1 49 . SER . 17973 1 50 . ASP . 17973 1 51 . TRP . 17973 1 52 . LEU . 17973 1 53 . THR . 17973 1 54 . PHE . 17973 1 55 . GLN . 17973 1 56 . LYS . 17973 1 57 . LYS . 17973 1 58 . HIS . 17973 1 59 . ILE . 17973 1 60 . THR . 17973 1 61 . ASN . 17973 1 62 . THR . 17973 1 63 . ARG . 17973 1 64 . ASP . 17973 1 65 . VAL . 17973 1 66 . ASP . 17973 1 67 . CYS . 17973 1 68 . DAS . 17973 1 69 . ASN . 17973 1 70 . ILE . 17973 1 71 . MET . 17973 1 72 . SER . 17973 1 73 . THR . 17973 1 74 . ASN . 17973 1 75 . LEU . 17973 1 76 . PHE . 17973 1 77 . HIS . 17973 1 78 . CYS . 17973 1 79 . LYS . 17973 1 80 . ASP . 17973 1 81 . LYS . 17973 1 82 . ASN . 17973 1 83 . THR . 17973 1 84 . PHE . 17973 1 85 . ILE . 17973 1 86 . TYR . 17973 1 87 . SER . 17973 1 88 . ARG . 17973 1 89 . PRO . 17973 1 90 . GLU . 17973 1 91 . PRO . 17973 1 92 . VAL . 17973 1 93 . LYS . 17973 1 94 . ALA . 17973 1 95 . ILE . 17973 1 96 . CYS . 17973 1 97 . LYS . 17973 1 98 . GLY . 17973 1 99 . ILE . 17973 1 100 . ILE . 17973 1 101 . ALA . 17973 1 102 . SER . 17973 1 103 . LYS . 17973 1 104 . ASN . 17973 1 105 . VAL . 17973 1 106 . LEU . 17973 1 107 . THR . 17973 1 108 . THR . 17973 1 109 . SER . 17973 1 110 . GLU . 17973 1 111 . PHE . 17973 1 112 . TYR . 17973 1 113 . LEU . 17973 1 114 . SER . 17973 1 115 . ASP . 17973 1 116 . CYS . 17973 1 117 . ASN . 17973 1 118 . VAL . 17973 1 119 . THR . 17973 1 120 . SER . 17973 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 . ARG 1 1 17973 1 . PRO 2 2 17973 1 . CYS 3 3 17973 1 . LYS 4 4 17973 1 . TYR 5 5 17973 1 . LYS 6 6 17973 1 . LEU 7 7 17973 1 . LYS 8 8 17973 1 . LYS 9 9 17973 1 . SER 10 10 17973 1 . THR 11 11 17973 1 . ASN 12 12 17973 1 . LYS 13 13 17973 1 . PHE 14 14 17973 1 . CYS 15 15 17973 1 . VAL 16 16 17973 1 . THR 17 17 17973 1 . CYS 18 18 17973 1 . GLU 19 19 17973 1 . ASN 20 20 17973 1 . GLN 21 21 17973 1 . ALA 22 22 17973 1 . PRO 23 23 17973 1 . VAL 24 24 17973 1 . HIS 25 25 17973 1 . PHE 26 26 17973 1 . VAL 27 27 17973 1 . GLY 28 28 17973 1 . VAL 29 29 17973 1 . GLY 30 30 17973 1 . SER 31 31 17973 1 . CYS 32 32 17973 1 . GLY 33 33 17973 1 . SER 34 34 17973 1 . GLY 35 35 17973 1 . GLY 36 36 17973 1 . SER 37 37 17973 1 . GLY 38 38 17973 1 . ILE 39 39 17973 1 . PHE 40 40 17973 1 . LEU 41 41 17973 1 . GLU 42 42 17973 1 . THR 43 43 17973 1 . SER 44 44 17973 1 . LEU 45 45 17973 1 . SER 46 46 17973 1 . ALA 47 47 17973 1 . GLY 48 48 17973 1 . SER 49 49 17973 1 . ASP 50 50 17973 1 . TRP 51 51 17973 1 . LEU 52 52 17973 1 . THR 53 53 17973 1 . PHE 54 54 17973 1 . GLN 55 55 17973 1 . LYS 56 56 17973 1 . LYS 57 57 17973 1 . HIS 58 58 17973 1 . ILE 59 59 17973 1 . THR 60 60 17973 1 . ASN 61 61 17973 1 . THR 62 62 17973 1 . ARG 63 63 17973 1 . ASP 64 64 17973 1 . VAL 65 65 17973 1 . ASP 66 66 17973 1 . CYS 67 67 17973 1 . DAS 68 68 17973 1 . ASN 69 69 17973 1 . ILE 70 70 17973 1 . MET 71 71 17973 1 . SER 72 72 17973 1 . THR 73 73 17973 1 . ASN 74 74 17973 1 . LEU 75 75 17973 1 . PHE 76 76 17973 1 . HIS 77 77 17973 1 . CYS 78 78 17973 1 . LYS 79 79 17973 1 . ASP 80 80 17973 1 . LYS 81 81 17973 1 . ASN 82 82 17973 1 . THR 83 83 17973 1 . PHE 84 84 17973 1 . ILE 85 85 17973 1 . TYR 86 86 17973 1 . SER 87 87 17973 1 . ARG 88 88 17973 1 . PRO 89 89 17973 1 . GLU 90 90 17973 1 . PRO 91 91 17973 1 . VAL 92 92 17973 1 . LYS 93 93 17973 1 . ALA 94 94 17973 1 . ILE 95 95 17973 1 . CYS 96 96 17973 1 . LYS 97 97 17973 1 . GLY 98 98 17973 1 . ILE 99 99 17973 1 . ILE 100 100 17973 1 . ALA 101 101 17973 1 . SER 102 102 17973 1 . LYS 103 103 17973 1 . ASN 104 104 17973 1 . VAL 105 105 17973 1 . LEU 106 106 17973 1 . THR 107 107 17973 1 . THR 108 108 17973 1 . SER 109 109 17973 1 . GLU 110 110 17973 1 . PHE 111 111 17973 1 . TYR 112 112 17973 1 . LEU 113 113 17973 1 . SER 114 114 17973 1 . ASP 115 115 17973 1 . CYS 116 116 17973 1 . ASN 117 117 17973 1 . VAL 118 118 17973 1 . THR 119 119 17973 1 . SER 120 120 17973 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17973 _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 $onconase_FLG_variant . 8404 organism . 'Rana pipiens' 'Northern leopard frog' . . Eukaryota Metazoa Rana pipiens 'Northern leopard frog' . . . . . . . . . . . . . . . . . . . . 17973 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 17973 _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 $onconase_FLG_variant . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'not applicable' . . . . . . 17973 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_DAS _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DAS _Chem_comp.Entry_ID 17973 _Chem_comp.ID DAS _Chem_comp.Provenance . _Chem_comp.Name 'D-ASPARTIC ACID' _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code . _Chem_comp.PDB_code DAS _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces DSP _Chem_comp.One_letter_code D _Chem_comp.Three_letter_code DAS _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 'C4 H7 N O4' _Chem_comp.Formula_weight 133.103 _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 1AN1 _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 7 14:43:38 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 C(C(C(=O)O)N)C(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 17973 DAS C([C@H](C(=O)O)N)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17973 DAS CKLJMWTZIZZHCS-UWTATZPHSA-N InChIKey InChI 1.03 17973 DAS InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1 InChI InChI 1.03 17973 DAS N[C@H](CC(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 17973 DAS N[CH](CC(O)=O)C(O)=O SMILES CACTVS 3.341 17973 DAS O=C(O)CC(N)C(=O)O SMILES ACDLabs 10.04 17973 DAS 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 '(2R)-2-aminobutanedioic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17973 DAS 'D-aspartic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 17973 DAS 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 N . N . . N . . N 0 . . . . no no . . . . 17.583 . 59.747 . 30.265 . 1.659 -0.052 -0.266 1 . 17973 DAS CA . CA . . C . . R 0 . . . . no no . . . . 18.873 . 59.859 . 30.954 . 0.266 0.365 -0.472 2 . 17973 DAS C . C . . C . . N 0 . . . . no no . . . . 19.982 . 60.297 . 29.948 . -0.163 0.007 -1.872 3 . 17973 DAS O . O . . O . . N 0 . . . . no no . . . . 19.687 . 60.632 . 28.810 . 0.320 -0.951 -2.425 4 . 17973 DAS CB . CB . . C . . N 0 . . . . no no . . . . 18.788 . 60.798 . 32.128 . -0.634 -0.350 0.535 5 . 17973 DAS CG . CG . . C . . N 0 . . . . no no . . . . 18.684 . 62.225 . 31.716 . -0.205 0.007 1.935 6 . 17973 DAS OD1 . OD1 . . O . . N 0 . . . . no no . . . . 17.604 . 62.665 . 31.218 . 0.725 0.757 2.108 7 . 17973 DAS OD2 . OD2 . . O . . N 0 . . . . no no . . . . 19.688 . 62.908 . 31.932 . -0.857 -0.507 2.989 8 . 17973 DAS OXT . OXT . . O . . N 0 . . . . no yes . . . . 21.246 . 60.177 . 30.330 . -1.082 0.754 -2.503 9 . 17973 DAS H . H . . H . . N 0 . . . . no no . . . . 16.857 . 59.460 . 30.922 . 2.199 0.359 -1.012 10 . 17973 DAS H2 . H2 . . H . . N 0 . . . . no yes . . . . 17.633 . 59.124 . 29.458 . 1.687 -1.051 -0.405 11 . 17973 DAS HA . HA . . H . . N 0 . . . . no no . . . . 19.145 . 58.856 . 31.359 . 0.185 1.442 -0.331 12 . 17973 DAS HB2 . HB2 . . H . . N 0 . . . . no no . . . . 17.949 . 60.515 . 32.806 . -1.668 -0.040 0.382 13 . 17973 DAS HB3 . HB3 . . H . . N 0 . . . . no no . . . . 19.644 . 60.644 . 32.825 . -0.553 -1.428 0.395 14 . 17973 DAS HD2 . HD2 . . H . . N 0 . . . . no no . . . . 19.621 . 63.818 . 31.669 . -0.582 -0.277 3.887 15 . 17973 DAS HXT . HXT . . H . . N 0 . . . . no yes . . . . 21.921 . 60.443 . 29.717 . -1.358 0.524 -3.401 16 . 17973 DAS 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 N CA no N 1 . 17973 DAS 2 . SING N H no N 2 . 17973 DAS 3 . SING N H2 no N 3 . 17973 DAS 4 . SING CA C no N 4 . 17973 DAS 5 . SING CA CB no N 5 . 17973 DAS 6 . SING CA HA no N 6 . 17973 DAS 7 . DOUB C O no N 7 . 17973 DAS 8 . SING C OXT no N 8 . 17973 DAS 9 . SING CB CG no N 9 . 17973 DAS 10 . SING CB HB2 no N 10 . 17973 DAS 11 . SING CB HB3 no N 11 . 17973 DAS 12 . DOUB CG OD1 no N 12 . 17973 DAS 13 . SING CG OD2 no N 13 . 17973 DAS 14 . SING OD2 HD2 no N 14 . 17973 DAS 15 . SING OXT HXT no N 15 . 17973 DAS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_ONC_FLG_15N13C _Sample.Sf_category sample _Sample.Sf_framecode ONC_FLG_15N13C _Sample.Entry_ID 17973 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'buffer 10x' 'natural abundance' . . . . . . 25 . . uL . . . . 17973 1 2 'H2O MQ' 'natural abundance' . . . . . . 200 . . uL . . . . 17973 1 3 DSS 'natural abundance' . . . . . . 2 . . uL . . . . 17973 1 4 NaN3 'natural abundance' . . . . . . 2 . . uL . . . . 17973 1 5 ONC_FLG '[U-100% 15N; U-13C]' . . 1 $onconase_FLG_variant . . 2.8 . . mM . . . . 17973 1 stop_ save_ save_ONC_FLG_15N _Sample.Sf_category sample _Sample.Sf_framecode ONC_FLG_15N _Sample.Entry_ID 17973 _Sample.ID 2 _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 'buffer 10x' 'natural abundance' . . . . . . 25 . . uL . . . . 17973 2 2 D2O '[U-100% 2H]' . . . . . . 200 . . uL . . . . 17973 2 3 DSS 'natural abundance' . . . . . . 2 . . uL . . . . 17973 2 4 NaN3 'natural abundance' . . . . . . 2 . . uL . . . . 17973 2 5 ONC_FLG '[U-100% 15N]' . . 1 $onconase_FLG_variant . . 1.8 . . mM . . . . 17973 2 stop_ save_ ####################### # Sample conditions # ####################### save_CONDITIONS_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CONDITIONS_1 _Sample_condition_list.Entry_ID 17973 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 5.2 . pH 17973 1 pressure 1 . atm 17973 1 temperature 273 . K 17973 1 stop_ save_ save_CONDITIONS_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CONDITIONS_2 _Sample_condition_list.Entry_ID 17973 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 5.2 . pH 17973 2 pressure 1 . atm 17973 2 temperature 273 . K 17973 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17973 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' Bruker http://www.bruker.com/ 17973 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID acquisition 17973 1 processing 17973 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17973 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard 'University of California, San Francisco' http://www.cgl.ucsf.edu/home/sparky/ 17973 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17973 2 'peak picking' 17973 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17973 _Software.ID 3 _Software.Name TALOS _Software.Version 'TALOS +' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . http://spin.niddk.nih.gov/NMRPipe/ 17973 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'angular constraints' 17973 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17973 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . http://www.cyana.org/ 17973 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17973 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_AV800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_AV800 _NMR_spectrometer.Entry_ID 17973 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Bruker AV-800 US2, equipped with a TCI cryoprobe (1H,13C,15N) with Z-gradients and two 5mm probe with gradients in XYZ: TXI (1H,13C,15N), QXI(1H,13C,15N,31P).' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_Bruker_AV600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_AV600 _NMR_spectrometer.Entry_ID 17973 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Bruker AV-600 spectrometer equipped with cryoprobe TXI (1H, 13C, 15N) with Z gradients (on the left side of the figure). Additionally, we have probes "standard " TXI (1H, 13C, 15N), TBI (1H, 13C, BB) with gradients of 5 mm and 8 mm probe TXI (1H, 13C, 15N) with Z gradients and a 10 mm probe (1H-BB reverse) without gradient.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17973 _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 Bruker_AV800 Bruker Avance . 800 'Bruker AV-800 US2, equipped with a TCI cryoprobe (1H,13C,15N) with Z-gradients and two 5mm probe with gradients in XYZ: TXI (1H,13C,15N), QXI(1H,13C,15N,31P).' . . 17973 1 2 Bruker_AV600 Bruker Avance . 600 'Bruker AV-600 spectrometer equipped with cryoprobe TXI (1H, 13C, 15N) with Z gradients (on the left side of the figure). Additionally, we have probes "standard " TXI (1H, 13C, 15N), TBI (1H, 13C, BB) with gradients of 5 mm and 8 mm probe TXI (1H, 13C, 15N) with Z gradients and a 10 mm probe (1H-BB reverse) without gradient.' . . 17973 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 17973 _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 $ONC_FLG_15N13C isotropic . . 1 $CONDITIONS_1 . . . 1 $Bruker_AV800 . . . . . . . . . . . . . . . . 17973 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $ONC_FLG_15N13C isotropic . . 1 $CONDITIONS_1 . . . 1 $Bruker_AV800 . . . . . . . . . . . . . . . . 17973 1 3 '3D CBCANH' no . . . . . . . . . . 1 $ONC_FLG_15N13C isotropic . . 1 $CONDITIONS_1 . . . 1 $Bruker_AV800 . . . . . . . . . . . . . . . . 17973 1 4 '3D HNCA' no . . . . . . . . . . 1 $ONC_FLG_15N13C isotropic . . 1 $CONDITIONS_1 . . . 1 $Bruker_AV800 . . . . . . . . . . . . . . . . 17973 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $ONC_FLG_15N13C isotropic . . 1 $CONDITIONS_1 . . . 1 $Bruker_AV800 . . . . . . . . . . . . . . . . 17973 1 6 '3D HNCACO' no . . . . . . . . . . 1 $ONC_FLG_15N13C isotropic . . 1 $CONDITIONS_1 . . . 1 $Bruker_AV800 . . . . . . . . . . . . . . . . 17973 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $ONC_FLG_15N13C isotropic . . 1 $CONDITIONS_1 . . . 1 $Bruker_AV800 . . . . . . . . . . . . . . . . 17973 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $ONC_FLG_15N13C isotropic . . 1 $CONDITIONS_1 . . . 1 $Bruker_AV800 . . . . . . . . . . . . . . . . 17973 1 9 '3D HNCO' no . . . . . . . . . . 1 $ONC_FLG_15N13C isotropic . . 1 $CONDITIONS_1 . . . 1 $Bruker_AV800 . . . . . . . . . . . . . . . . 17973 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $ONC_FLG_15N13C isotropic . . 1 $CONDITIONS_1 . . . 1 $Bruker_AV800 . . . . . . . . . . . . . . . . 17973 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $ONC_FLG_15N isotropic . . 2 $CONDITIONS_2 . . . 1 $Bruker_AV800 . . . . . . . . . . . . . . . . 17973 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $ONC_FLG_15N13C isotropic . . 1 $CONDITIONS_1 . . . 1 $Bruker_AV800 . . . . . . . . . . . . . . . . 17973 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 17973 _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 na indirect 0.251449530 . . . . . . . . . 17973 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 17973 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 17973 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_zimogen-FLG_chemical_shift _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode zimogen-FLG_chemical_shift _Assigned_chem_shift_list.Entry_ID 17973 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $CONDITIONS_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17973 1 7 '3D 1H-13C NOESY' . . . 17973 1 8 '3D 1H-15N NOESY' . . . 17973 1 12 '2D 1H-1H NOESY' . . . 17973 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 2 2 PRO HA H 1 4.39 0.01 . 1 . . . . 2 PRO HA . 17973 1 2 . 1 1 2 2 PRO HB2 H 1 1.88 0.00 . 2 . . . . 2 PRO HB2 . 17973 1 3 . 1 1 2 2 PRO HB3 H 1 2.27 0.00 . 2 . . . . 2 PRO HB3 . 17973 1 4 . 1 1 2 2 PRO HG2 H 1 2.00 0.01 . 2 . . . . 2 PRO HG2 . 17973 1 5 . 1 1 2 2 PRO HG3 H 1 2.06 0.01 . 2 . . . . 2 PRO HG3 . 17973 1 6 . 1 1 2 2 PRO HD2 H 1 3.67 0.00 . 2 . . . . 2 PRO HD2 . 17973 1 7 . 1 1 2 2 PRO HD3 H 1 3.83 0.01 . 2 . . . . 2 PRO HD3 . 17973 1 8 . 1 1 2 2 PRO C C 13 176.27 0.00 . 1 . . . . 2 PRO C . 17973 1 9 . 1 1 2 2 PRO CA C 13 63.31 0.04 . 1 . . . . 2 PRO CA . 17973 1 10 . 1 1 2 2 PRO CB C 13 31.94 0.09 . 1 . . . . 2 PRO CB . 17973 1 11 . 1 1 2 2 PRO CG C 13 27.44 0.05 . 1 . . . . 2 PRO CG . 17973 1 12 . 1 1 2 2 PRO CD C 13 50.64 0.03 . 1 . . . . 2 PRO CD . 17973 1 13 . 1 1 3 3 CYS H H 1 8.46 0.01 . 1 . . . . 3 CYS H . 17973 1 14 . 1 1 3 3 CYS HA H 1 4.46 0.00 . 1 . . . . 3 CYS HA . 17973 1 15 . 1 1 3 3 CYS HB2 H 1 2.88 0.01 . 2 . . . . 3 CYS HB2 . 17973 1 16 . 1 1 3 3 CYS HB3 H 1 3.72 0.01 . 2 . . . . 3 CYS HB3 . 17973 1 17 . 1 1 3 3 CYS C C 13 172.71 0.00 . 1 . . . . 3 CYS C . 17973 1 18 . 1 1 3 3 CYS CA C 13 57.36 0.04 . 1 . . . . 3 CYS CA . 17973 1 19 . 1 1 3 3 CYS CB C 13 46.46 0.07 . 1 . . . . 3 CYS CB . 17973 1 20 . 1 1 3 3 CYS N N 15 120.85 0.03 . 1 . . . . 3 CYS N . 17973 1 21 . 1 1 4 4 LYS H H 1 7.34 0.00 . 1 . . . . 4 LYS H . 17973 1 22 . 1 1 4 4 LYS HA H 1 4.78 0.01 . 1 . . . . 4 LYS HA . 17973 1 23 . 1 1 4 4 LYS HB2 H 1 1.51 0.01 . 2 . . . . 4 LYS HB2 . 17973 1 24 . 1 1 4 4 LYS HB3 H 1 1.75 0.01 . 2 . . . . 4 LYS HB3 . 17973 1 25 . 1 1 4 4 LYS HG2 H 1 1.27 0.00 . 2 . . . . 4 LYS HG2 . 17973 1 26 . 1 1 4 4 LYS HG3 H 1 1.35 0.00 . 2 . . . . 4 LYS HG3 . 17973 1 27 . 1 1 4 4 LYS HD2 H 1 1.65 0.02 . 1 . . . . 4 LYS HD2 . 17973 1 28 . 1 1 4 4 LYS HD3 H 1 1.65 0.02 . 1 . . . . 4 LYS HD3 . 17973 1 29 . 1 1 4 4 LYS HE2 H 1 2.91 0.00 . 2 . . . . 4 LYS HE2 . 17973 1 30 . 1 1 4 4 LYS HE3 H 1 2.96 0.01 . 2 . . . . 4 LYS HE3 . 17973 1 31 . 1 1 4 4 LYS C C 13 175.82 0.00 . 1 . . . . 4 LYS C . 17973 1 32 . 1 1 4 4 LYS CA C 13 54.12 0.03 . 1 . . . . 4 LYS CA . 17973 1 33 . 1 1 4 4 LYS CB C 13 34.55 0.07 . 1 . . . . 4 LYS CB . 17973 1 34 . 1 1 4 4 LYS CG C 13 24.39 0.04 . 1 . . . . 4 LYS CG . 17973 1 35 . 1 1 4 4 LYS CD C 13 28.49 0.02 . 1 . . . . 4 LYS CD . 17973 1 36 . 1 1 4 4 LYS CE C 13 42.27 0.04 . 1 . . . . 4 LYS CE . 17973 1 37 . 1 1 4 4 LYS N N 15 119.32 0.02 . 1 . . . . 4 LYS N . 17973 1 38 . 1 1 5 5 TYR H H 1 9.32 0.00 . 1 . . . . 5 TYR H . 17973 1 39 . 1 1 5 5 TYR HA H 1 4.83 0.02 . 1 . . . . 5 TYR HA . 17973 1 40 . 1 1 5 5 TYR HB2 H 1 2.55 0.01 . 2 . . . . 5 TYR HB2 . 17973 1 41 . 1 1 5 5 TYR HB3 H 1 2.66 0.01 . 2 . . . . 5 TYR HB3 . 17973 1 42 . 1 1 5 5 TYR HD1 H 1 6.71 0.01 . 3 . . . . 5 TYR HD1 . 17973 1 43 . 1 1 5 5 TYR HD2 H 1 6.71 0.01 . 3 . . . . 5 TYR HD2 . 17973 1 44 . 1 1 5 5 TYR C C 13 176.52 0.00 . 1 . . . . 5 TYR C . 17973 1 45 . 1 1 5 5 TYR CA C 13 59.04 0.03 . 1 . . . . 5 TYR CA . 17973 1 46 . 1 1 5 5 TYR CB C 13 43.84 0.03 . 1 . . . . 5 TYR CB . 17973 1 47 . 1 1 5 5 TYR N N 15 119.65 0.02 . 1 . . . . 5 TYR N . 17973 1 48 . 1 1 6 6 LYS H H 1 9.01 0.00 . 1 . . . . 6 LYS H . 17973 1 49 . 1 1 6 6 LYS HA H 1 4.75 0.06 . 1 . . . . 6 LYS HA . 17973 1 50 . 1 1 6 6 LYS HB2 H 1 1.82 0.01 . 1 . . . . 6 LYS HB2 . 17973 1 51 . 1 1 6 6 LYS HB3 H 1 1.82 0.01 . 1 . . . . 6 LYS HB3 . 17973 1 52 . 1 1 6 6 LYS HG2 H 1 1.46 0.01 . 1 . . . . 6 LYS HG2 . 17973 1 53 . 1 1 6 6 LYS HG3 H 1 1.46 0.01 . 1 . . . . 6 LYS HG3 . 17973 1 54 . 1 1 6 6 LYS HD2 H 1 1.75 0.03 . 1 . . . . 6 LYS HD2 . 17973 1 55 . 1 1 6 6 LYS HD3 H 1 1.75 0.03 . 1 . . . . 6 LYS HD3 . 17973 1 56 . 1 1 6 6 LYS HE2 H 1 3.02 0.01 . 1 . . . . 6 LYS HE2 . 17973 1 57 . 1 1 6 6 LYS HE3 H 1 3.02 0.01 . 1 . . . . 6 LYS HE3 . 17973 1 58 . 1 1 6 6 LYS C C 13 174.84 0.00 . 1 . . . . 6 LYS C . 17973 1 59 . 1 1 6 6 LYS CA C 13 54.90 0.04 . 1 . . . . 6 LYS CA . 17973 1 60 . 1 1 6 6 LYS CB C 13 35.34 0.04 . 1 . . . . 6 LYS CB . 17973 1 61 . 1 1 6 6 LYS CG C 13 24.94 0.04 . 1 . . . . 6 LYS CG . 17973 1 62 . 1 1 6 6 LYS CD C 13 29.14 0.01 . 1 . . . . 6 LYS CD . 17973 1 63 . 1 1 6 6 LYS CE C 13 42.21 0.02 . 1 . . . . 6 LYS CE . 17973 1 64 . 1 1 6 6 LYS N N 15 120.03 0.04 . 1 . . . . 6 LYS N . 17973 1 65 . 1 1 7 7 LEU H H 1 8.41 0.00 . 1 . . . . 7 LEU H . 17973 1 66 . 1 1 7 7 LEU HA H 1 5.38 0.02 . 1 . . . . 7 LEU HA . 17973 1 67 . 1 1 7 7 LEU HB2 H 1 1.66 0.02 . 2 . . . . 7 LEU HB2 . 17973 1 68 . 1 1 7 7 LEU HB3 H 1 1.83 0.02 . 2 . . . . 7 LEU HB3 . 17973 1 69 . 1 1 7 7 LEU HG H 1 1.42 0.01 . 1 . . . . 7 LEU HG . 17973 1 70 . 1 1 7 7 LEU HD11 H 1 1.00 0.01 . 2 . . . . 7 LEU HD1 . 17973 1 71 . 1 1 7 7 LEU HD12 H 1 1.00 0.01 . 2 . . . . 7 LEU HD1 . 17973 1 72 . 1 1 7 7 LEU HD13 H 1 1.00 0.01 . 2 . . . . 7 LEU HD1 . 17973 1 73 . 1 1 7 7 LEU HD21 H 1 1.09 0.01 . 2 . . . . 7 LEU HD2 . 17973 1 74 . 1 1 7 7 LEU HD22 H 1 1.09 0.01 . 2 . . . . 7 LEU HD2 . 17973 1 75 . 1 1 7 7 LEU HD23 H 1 1.09 0.01 . 2 . . . . 7 LEU HD2 . 17973 1 76 . 1 1 7 7 LEU C C 13 176.78 0.00 . 1 . . . . 7 LEU C . 17973 1 77 . 1 1 7 7 LEU CA C 13 54.02 0.05 . 1 . . . . 7 LEU CA . 17973 1 78 . 1 1 7 7 LEU CB C 13 43.83 0.05 . 1 . . . . 7 LEU CB . 17973 1 79 . 1 1 7 7 LEU CG C 13 28.09 0.04 . 1 . . . . 7 LEU CG . 17973 1 80 . 1 1 7 7 LEU CD1 C 13 23.99 0.07 . 2 . . . . 7 LEU CD1 . 17973 1 81 . 1 1 7 7 LEU CD2 C 13 26.95 0.05 . 2 . . . . 7 LEU CD2 . 17973 1 82 . 1 1 7 7 LEU N N 15 126.61 0.02 . 1 . . . . 7 LEU N . 17973 1 83 . 1 1 8 8 LYS H H 1 9.34 0.00 . 1 . . . . 8 LYS H . 17973 1 84 . 1 1 8 8 LYS HA H 1 4.86 0.02 . 1 . . . . 8 LYS HA . 17973 1 85 . 1 1 8 8 LYS HB2 H 1 1.81 0.01 . 2 . . . . 8 LYS HB2 . 17973 1 86 . 1 1 8 8 LYS HB3 H 1 1.91 0.01 . 2 . . . . 8 LYS HB3 . 17973 1 87 . 1 1 8 8 LYS HG2 H 1 1.35 0.00 . 1 . . . . 8 LYS HG2 . 17973 1 88 . 1 1 8 8 LYS HG3 H 1 1.35 0.00 . 1 . . . . 8 LYS HG3 . 17973 1 89 . 1 1 8 8 LYS HD2 H 1 1.48 0.01 . 1 . . . . 8 LYS HD2 . 17973 1 90 . 1 1 8 8 LYS HD3 H 1 1.48 0.01 . 1 . . . . 8 LYS HD3 . 17973 1 91 . 1 1 8 8 LYS HE2 H 1 3.02 0.01 . 1 . . . . 8 LYS HE2 . 17973 1 92 . 1 1 8 8 LYS HE3 H 1 3.02 0.01 . 1 . . . . 8 LYS HE3 . 17973 1 93 . 1 1 8 8 LYS C C 13 175.95 0.00 . 1 . . . . 8 LYS C . 17973 1 94 . 1 1 8 8 LYS CA C 13 55.18 0.02 . 1 . . . . 8 LYS CA . 17973 1 95 . 1 1 8 8 LYS CB C 13 35.49 0.01 . 1 . . . . 8 LYS CB . 17973 1 96 . 1 1 8 8 LYS CG C 13 24.59 0.05 . 1 . . . . 8 LYS CG . 17973 1 97 . 1 1 8 8 LYS CD C 13 25.01 0.07 . 1 . . . . 8 LYS CD . 17973 1 98 . 1 1 8 8 LYS CE C 13 42.14 0.01 . 1 . . . . 8 LYS CE . 17973 1 99 . 1 1 8 8 LYS N N 15 128.51 0.03 . 1 . . . . 8 LYS N . 17973 1 100 . 1 1 9 9 LYS H H 1 9.19 0.01 . 1 . . . . 9 LYS H . 17973 1 101 . 1 1 9 9 LYS HA H 1 5.28 0.02 . 1 . . . . 9 LYS HA . 17973 1 102 . 1 1 9 9 LYS HB2 H 1 1.84 0.02 . 1 . . . . 9 LYS HB2 . 17973 1 103 . 1 1 9 9 LYS HB3 H 1 1.84 0.02 . 1 . . . . 9 LYS HB3 . 17973 1 104 . 1 1 9 9 LYS HG2 H 1 1.33 0.01 . 1 . . . . 9 LYS HG2 . 17973 1 105 . 1 1 9 9 LYS HG3 H 1 1.33 0.01 . 1 . . . . 9 LYS HG3 . 17973 1 106 . 1 1 9 9 LYS HD2 H 1 1.45 0.01 . 2 . . . . 9 LYS HD2 . 17973 1 107 . 1 1 9 9 LYS HD3 H 1 1.59 0.01 . 2 . . . . 9 LYS HD3 . 17973 1 108 . 1 1 9 9 LYS HE2 H 1 2.63 0.01 . 2 . . . . 9 LYS HE2 . 17973 1 109 . 1 1 9 9 LYS HE3 H 1 2.86 0.01 . 2 . . . . 9 LYS HE3 . 17973 1 110 . 1 1 9 9 LYS C C 13 175.70 0.00 . 1 . . . . 9 LYS C . 17973 1 111 . 1 1 9 9 LYS CA C 13 56.22 0.06 . 1 . . . . 9 LYS CA . 17973 1 112 . 1 1 9 9 LYS CB C 13 34.27 0.07 . 1 . . . . 9 LYS CB . 17973 1 113 . 1 1 9 9 LYS CG C 13 26.02 0.02 . 1 . . . . 9 LYS CG . 17973 1 114 . 1 1 9 9 LYS CD C 13 29.74 0.02 . 1 . . . . 9 LYS CD . 17973 1 115 . 1 1 9 9 LYS CE C 13 42.28 0.03 . 1 . . . . 9 LYS CE . 17973 1 116 . 1 1 9 9 LYS N N 15 129.76 0.03 . 1 . . . . 9 LYS N . 17973 1 117 . 1 1 10 10 SER H H 1 8.89 0.00 . 1 . . . . 10 SER H . 17973 1 118 . 1 1 10 10 SER HA H 1 4.85 0.01 . 1 . . . . 10 SER HA . 17973 1 119 . 1 1 10 10 SER HB2 H 1 3.93 0.01 . 1 . . . . 10 SER HB2 . 17973 1 120 . 1 1 10 10 SER HB3 H 1 3.93 0.01 . 1 . . . . 10 SER HB3 . 17973 1 121 . 1 1 10 10 SER C C 13 172.50 0.00 . 1 . . . . 10 SER C . 17973 1 122 . 1 1 10 10 SER CA C 13 58.68 0.07 . 1 . . . . 10 SER CA . 17973 1 123 . 1 1 10 10 SER CB C 13 66.30 0.06 . 1 . . . . 10 SER CB . 17973 1 124 . 1 1 10 10 SER N N 15 117.07 0.02 . 1 . . . . 10 SER N . 17973 1 125 . 1 1 11 11 THR H H 1 8.42 0.00 . 1 . . . . 11 THR H . 17973 1 126 . 1 1 11 11 THR HA H 1 5.49 0.01 . 1 . . . . 11 THR HA . 17973 1 127 . 1 1 11 11 THR HB H 1 4.00 0.01 . 1 . . . . 11 THR HB . 17973 1 128 . 1 1 11 11 THR HG21 H 1 0.99 0.02 . 1 . . . . 11 THR HG2 . 17973 1 129 . 1 1 11 11 THR HG22 H 1 0.99 0.02 . 1 . . . . 11 THR HG2 . 17973 1 130 . 1 1 11 11 THR HG23 H 1 0.99 0.02 . 1 . . . . 11 THR HG2 . 17973 1 131 . 1 1 11 11 THR C C 13 174.23 0.00 . 1 . . . . 11 THR C . 17973 1 132 . 1 1 11 11 THR CA C 13 60.22 0.05 . 1 . . . . 11 THR CA . 17973 1 133 . 1 1 11 11 THR CB C 13 70.39 0.06 . 1 . . . . 11 THR CB . 17973 1 134 . 1 1 11 11 THR CG2 C 13 22.38 0.05 . 1 . . . . 11 THR CG2 . 17973 1 135 . 1 1 11 11 THR N N 15 115.17 0.05 . 1 . . . . 11 THR N . 17973 1 136 . 1 1 12 12 ASN H H 1 9.10 0.02 . 1 . . . . 12 ASN H . 17973 1 137 . 1 1 12 12 ASN HA H 1 4.96 0.01 . 1 . . . . 12 ASN HA . 17973 1 138 . 1 1 12 12 ASN HB2 H 1 2.68 0.01 . 2 . . . . 12 ASN HB2 . 17973 1 139 . 1 1 12 12 ASN HB3 H 1 3.09 0.00 . 2 . . . . 12 ASN HB3 . 17973 1 140 . 1 1 12 12 ASN HD21 H 1 7.24 0.00 . 2 . . . . 12 ASN HD21 . 17973 1 141 . 1 1 12 12 ASN HD22 H 1 7.79 0.00 . 2 . . . . 12 ASN HD22 . 17973 1 142 . 1 1 12 12 ASN C C 13 176.01 0.00 . 1 . . . . 12 ASN C . 17973 1 143 . 1 1 12 12 ASN CA C 13 52.33 0.07 . 1 . . . . 12 ASN CA . 17973 1 144 . 1 1 12 12 ASN CB C 13 43.15 0.05 . 1 . . . . 12 ASN CB . 17973 1 145 . 1 1 12 12 ASN N N 15 121.30 0.01 . 1 . . . . 12 ASN N . 17973 1 146 . 1 1 12 12 ASN ND2 N 15 111.72 0.02 . 1 . . . . 12 ASN ND2 . 17973 1 147 . 1 1 13 13 LYS H H 1 9.19 0.00 . 1 . . . . 13 LYS H . 17973 1 148 . 1 1 13 13 LYS HA H 1 4.54 0.01 . 1 . . . . 13 LYS HA . 17973 1 149 . 1 1 13 13 LYS HB2 H 1 1.45 0.01 . 2 . . . . 13 LYS HB2 . 17973 1 150 . 1 1 13 13 LYS HB3 H 1 1.93 0.01 . 2 . . . . 13 LYS HB3 . 17973 1 151 . 1 1 13 13 LYS HG2 H 1 1.02 0.01 . 1 . . . . 13 LYS HG2 . 17973 1 152 . 1 1 13 13 LYS HG3 H 1 1.02 0.01 . 1 . . . . 13 LYS HG3 . 17973 1 153 . 1 1 13 13 LYS HD2 H 1 1.61 0.01 . 1 . . . . 13 LYS HD2 . 17973 1 154 . 1 1 13 13 LYS HD3 H 1 1.61 0.01 . 1 . . . . 13 LYS HD3 . 17973 1 155 . 1 1 13 13 LYS HE2 H 1 2.82 0.00 . 2 . . . . 13 LYS HE2 . 17973 1 156 . 1 1 13 13 LYS HE3 H 1 2.87 0.00 . 2 . . . . 13 LYS HE3 . 17973 1 157 . 1 1 13 13 LYS C C 13 176.82 0.00 . 1 . . . . 13 LYS C . 17973 1 158 . 1 1 13 13 LYS CA C 13 56.41 0.03 . 1 . . . . 13 LYS CA . 17973 1 159 . 1 1 13 13 LYS CB C 13 35.31 0.06 . 1 . . . . 13 LYS CB . 17973 1 160 . 1 1 13 13 LYS CG C 13 26.09 0.01 . 1 . . . . 13 LYS CG . 17973 1 161 . 1 1 13 13 LYS CD C 13 29.47 0.03 . 1 . . . . 13 LYS CD . 17973 1 162 . 1 1 13 13 LYS CE C 13 42.32 0.09 . 1 . . . . 13 LYS CE . 17973 1 163 . 1 1 13 13 LYS N N 15 120.75 0.03 . 1 . . . . 13 LYS N . 17973 1 164 . 1 1 14 14 PHE H H 1 8.04 0.02 . 1 . . . . 14 PHE H . 17973 1 165 . 1 1 14 14 PHE HA H 1 4.97 0.01 . 1 . . . . 14 PHE HA . 17973 1 166 . 1 1 14 14 PHE HB2 H 1 3.00 0.02 . 2 . . . . 14 PHE HB2 . 17973 1 167 . 1 1 14 14 PHE HB3 H 1 3.15 0.02 . 2 . . . . 14 PHE HB3 . 17973 1 168 . 1 1 14 14 PHE HD1 H 1 6.85 0.02 . 3 . . . . 14 PHE HD1 . 17973 1 169 . 1 1 14 14 PHE HD2 H 1 6.85 0.02 . 3 . . . . 14 PHE HD2 . 17973 1 170 . 1 1 14 14 PHE HE1 H 1 6.62 0.02 . 3 . . . . 14 PHE HE1 . 17973 1 171 . 1 1 14 14 PHE HE2 H 1 6.62 0.02 . 3 . . . . 14 PHE HE2 . 17973 1 172 . 1 1 14 14 PHE HZ H 1 6.45 0.01 . 1 . . . . 14 PHE HZ . 17973 1 173 . 1 1 14 14 PHE C C 13 170.62 0.00 . 1 . . . . 14 PHE C . 17973 1 174 . 1 1 14 14 PHE CA C 13 56.57 0.08 . 1 . . . . 14 PHE CA . 17973 1 175 . 1 1 14 14 PHE CB C 13 41.43 0.09 . 1 . . . . 14 PHE CB . 17973 1 176 . 1 1 14 14 PHE CD1 C 13 132.41 0.04 . 3 . . . . 14 PHE CD1 . 17973 1 177 . 1 1 14 14 PHE CE1 C 13 130.89 0.09 . 3 . . . . 14 PHE CE1 . 17973 1 178 . 1 1 14 14 PHE CZ C 13 129.89 0.03 . 1 . . . . 14 PHE CZ . 17973 1 179 . 1 1 14 14 PHE N N 15 114.03 0.03 . 1 . . . . 14 PHE N . 17973 1 180 . 1 1 15 15 CYS H H 1 9.01 0.01 . 1 . . . . 15 CYS H . 17973 1 181 . 1 1 15 15 CYS HA H 1 5.77 0.01 . 1 . . . . 15 CYS HA . 17973 1 182 . 1 1 15 15 CYS HB2 H 1 2.12 0.01 . 2 . . . . 15 CYS HB2 . 17973 1 183 . 1 1 15 15 CYS HB3 H 1 3.25 0.00 . 2 . . . . 15 CYS HB3 . 17973 1 184 . 1 1 15 15 CYS C C 13 173.64 0.00 . 1 . . . . 15 CYS C . 17973 1 185 . 1 1 15 15 CYS CA C 13 54.08 0.03 . 1 . . . . 15 CYS CA . 17973 1 186 . 1 1 15 15 CYS CB C 13 49.59 0.02 . 1 . . . . 15 CYS CB . 17973 1 187 . 1 1 15 15 CYS N N 15 120.16 0.03 . 1 . . . . 15 CYS N . 17973 1 188 . 1 1 16 16 VAL H H 1 8.86 0.01 . 1 . . . . 16 VAL H . 17973 1 189 . 1 1 16 16 VAL HA H 1 5.06 0.02 . 1 . . . . 16 VAL HA . 17973 1 190 . 1 1 16 16 VAL HB H 1 2.10 0.01 . 1 . . . . 16 VAL HB . 17973 1 191 . 1 1 16 16 VAL HG11 H 1 0.74 0.01 . 1 . . . . 16 VAL HG1 . 17973 1 192 . 1 1 16 16 VAL HG12 H 1 0.74 0.01 . 1 . . . . 16 VAL HG1 . 17973 1 193 . 1 1 16 16 VAL HG13 H 1 0.74 0.01 . 1 . . . . 16 VAL HG1 . 17973 1 194 . 1 1 16 16 VAL HG21 H 1 1.08 0.01 . 1 . . . . 16 VAL HG2 . 17973 1 195 . 1 1 16 16 VAL HG22 H 1 1.08 0.01 . 1 . . . . 16 VAL HG2 . 17973 1 196 . 1 1 16 16 VAL HG23 H 1 1.08 0.01 . 1 . . . . 16 VAL HG2 . 17973 1 197 . 1 1 16 16 VAL C C 13 173.46 0.00 . 1 . . . . 16 VAL C . 17973 1 198 . 1 1 16 16 VAL CA C 13 58.27 0.06 . 1 . . . . 16 VAL CA . 17973 1 199 . 1 1 16 16 VAL CB C 13 35.71 0.07 . 1 . . . . 16 VAL CB . 17973 1 200 . 1 1 16 16 VAL CG1 C 13 21.39 0.01 . 2 . . . . 16 VAL CG1 . 17973 1 201 . 1 1 16 16 VAL CG2 C 13 23.53 0.04 . 2 . . . . 16 VAL CG2 . 17973 1 202 . 1 1 16 16 VAL N N 15 121.40 0.02 . 1 . . . . 16 VAL N . 17973 1 203 . 1 1 17 17 THR H H 1 8.65 0.01 . 1 . . . . 17 THR H . 17973 1 204 . 1 1 17 17 THR HA H 1 5.00 0.02 . 1 . . . . 17 THR HA . 17973 1 205 . 1 1 17 17 THR HB H 1 3.83 0.01 . 1 . . . . 17 THR HB . 17973 1 206 . 1 1 17 17 THR HG21 H 1 1.08 0.00 . 1 . . . . 17 THR HG2 . 17973 1 207 . 1 1 17 17 THR HG22 H 1 1.08 0.00 . 1 . . . . 17 THR HG2 . 17973 1 208 . 1 1 17 17 THR HG23 H 1 1.08 0.00 . 1 . . . . 17 THR HG2 . 17973 1 209 . 1 1 17 17 THR C C 13 174.78 0.00 . 1 . . . . 17 THR C . 17973 1 210 . 1 1 17 17 THR CA C 13 62.50 0.08 . 1 . . . . 17 THR CA . 17973 1 211 . 1 1 17 17 THR CB C 13 69.61 0.06 . 1 . . . . 17 THR CB . 17973 1 212 . 1 1 17 17 THR CG2 C 13 23.38 0.07 . 1 . . . . 17 THR CG2 . 17973 1 213 . 1 1 17 17 THR N N 15 118.38 0.04 . 1 . . . . 17 THR N . 17973 1 214 . 1 1 18 18 CYS H H 1 9.24 0.00 . 1 . . . . 18 CYS H . 17973 1 215 . 1 1 18 18 CYS HA H 1 5.17 0.02 . 1 . . . . 18 CYS HA . 17973 1 216 . 1 1 18 18 CYS HB2 H 1 2.59 0.01 . 2 . . . . 18 CYS HB2 . 17973 1 217 . 1 1 18 18 CYS HB3 H 1 2.77 0.00 . 2 . . . . 18 CYS HB3 . 17973 1 218 . 1 1 18 18 CYS C C 13 173.39 0.00 . 1 . . . . 18 CYS C . 17973 1 219 . 1 1 18 18 CYS CA C 13 52.69 0.04 . 1 . . . . 18 CYS CA . 17973 1 220 . 1 1 18 18 CYS CB C 13 38.87 0.06 . 1 . . . . 18 CYS CB . 17973 1 221 . 1 1 18 18 CYS N N 15 127.18 0.02 . 1 . . . . 18 CYS N . 17973 1 222 . 1 1 19 19 GLU H H 1 8.78 0.00 . 1 . . . . 19 GLU H . 17973 1 223 . 1 1 19 19 GLU HA H 1 4.18 0.00 . 1 . . . . 19 GLU HA . 17973 1 224 . 1 1 19 19 GLU HB2 H 1 1.89 0.01 . 2 . . . . 19 GLU HB2 . 17973 1 225 . 1 1 19 19 GLU HB3 H 1 1.96 0.01 . 2 . . . . 19 GLU HB3 . 17973 1 226 . 1 1 19 19 GLU HG2 H 1 2.18 0.01 . 2 . . . . 19 GLU HG2 . 17973 1 227 . 1 1 19 19 GLU HG3 H 1 2.29 0.01 . 2 . . . . 19 GLU HG3 . 17973 1 228 . 1 1 19 19 GLU C C 13 176.07 0.00 . 1 . . . . 19 GLU C . 17973 1 229 . 1 1 19 19 GLU CA C 13 56.93 0.03 . 1 . . . . 19 GLU CA . 17973 1 230 . 1 1 19 19 GLU CB C 13 33.27 0.04 . 1 . . . . 19 GLU CB . 17973 1 231 . 1 1 19 19 GLU CG C 13 36.40 0.03 . 1 . . . . 19 GLU CG . 17973 1 232 . 1 1 19 19 GLU N N 15 118.77 0.02 . 1 . . . . 19 GLU N . 17973 1 233 . 1 1 20 20 ASN H H 1 10.27 0.00 . 1 . . . . 20 ASN H . 17973 1 234 . 1 1 20 20 ASN HA H 1 4.35 0.02 . 1 . . . . 20 ASN HA . 17973 1 235 . 1 1 20 20 ASN HB2 H 1 2.75 0.01 . 2 . . . . 20 ASN HB2 . 17973 1 236 . 1 1 20 20 ASN HB3 H 1 3.10 0.01 . 2 . . . . 20 ASN HB3 . 17973 1 237 . 1 1 20 20 ASN HD21 H 1 6.88 0.00 . 2 . . . . 20 ASN HD21 . 17973 1 238 . 1 1 20 20 ASN HD22 H 1 7.67 0.00 . 2 . . . . 20 ASN HD22 . 17973 1 239 . 1 1 20 20 ASN C C 13 174.37 0.00 . 1 . . . . 20 ASN C . 17973 1 240 . 1 1 20 20 ASN CA C 13 54.83 0.04 . 1 . . . . 20 ASN CA . 17973 1 241 . 1 1 20 20 ASN CB C 13 37.22 0.04 . 1 . . . . 20 ASN CB . 17973 1 242 . 1 1 20 20 ASN N N 15 126.57 0.02 . 1 . . . . 20 ASN N . 17973 1 243 . 1 1 20 20 ASN ND2 N 15 113.04 0.02 . 1 . . . . 20 ASN ND2 . 17973 1 244 . 1 1 21 21 GLN H H 1 8.86 0.00 . 1 . . . . 21 GLN H . 17973 1 245 . 1 1 21 21 GLN HA H 1 4.05 0.02 . 1 . . . . 21 GLN HA . 17973 1 246 . 1 1 21 21 GLN HB2 H 1 1.68 0.01 . 2 . . . . 21 GLN HB2 . 17973 1 247 . 1 1 21 21 GLN HB3 H 1 2.05 0.00 . 2 . . . . 21 GLN HB3 . 17973 1 248 . 1 1 21 21 GLN HG2 H 1 2.06 0.01 . 2 . . . . 21 GLN HG2 . 17973 1 249 . 1 1 21 21 GLN HG3 H 1 2.24 0.02 . 2 . . . . 21 GLN HG3 . 17973 1 250 . 1 1 21 21 GLN HE21 H 1 6.98 0.00 . 2 . . . . 21 GLN HE21 . 17973 1 251 . 1 1 21 21 GLN HE22 H 1 7.74 0.00 . 2 . . . . 21 GLN HE22 . 17973 1 252 . 1 1 21 21 GLN C C 13 174.08 0.00 . 1 . . . . 21 GLN C . 17973 1 253 . 1 1 21 21 GLN CA C 13 57.20 0.02 . 1 . . . . 21 GLN CA . 17973 1 254 . 1 1 21 21 GLN CB C 13 27.38 0.05 . 1 . . . . 21 GLN CB . 17973 1 255 . 1 1 21 21 GLN CG C 13 36.03 0.01 . 1 . . . . 21 GLN CG . 17973 1 256 . 1 1 21 21 GLN N N 15 105.19 0.01 . 1 . . . . 21 GLN N . 17973 1 257 . 1 1 21 21 GLN NE2 N 15 113.81 0.02 . 1 . . . . 21 GLN NE2 . 17973 1 258 . 1 1 22 22 ALA H H 1 7.63 0.00 . 1 . . . . 22 ALA H . 17973 1 259 . 1 1 22 22 ALA HA H 1 4.42 0.01 . 1 . . . . 22 ALA HA . 17973 1 260 . 1 1 22 22 ALA HB1 H 1 0.93 0.01 . 1 . . . . 22 ALA HB . 17973 1 261 . 1 1 22 22 ALA HB2 H 1 0.93 0.01 . 1 . . . . 22 ALA HB . 17973 1 262 . 1 1 22 22 ALA HB3 H 1 0.93 0.01 . 1 . . . . 22 ALA HB . 17973 1 263 . 1 1 22 22 ALA CA C 13 49.59 0.02 . 1 . . . . 22 ALA CA . 17973 1 264 . 1 1 22 22 ALA CB C 13 20.99 0.06 . 1 . . . . 22 ALA CB . 17973 1 265 . 1 1 22 22 ALA N N 15 119.15 0.02 . 1 . . . . 22 ALA N . 17973 1 266 . 1 1 23 23 PRO HA H 1 4.58 0.01 . 1 . . . . 23 PRO HA . 17973 1 267 . 1 1 23 23 PRO HB2 H 1 0.64 0.01 . 2 . . . . 23 PRO HB2 . 17973 1 268 . 1 1 23 23 PRO HB3 H 1 1.23 0.01 . 2 . . . . 23 PRO HB3 . 17973 1 269 . 1 1 23 23 PRO HG2 H 1 1.63 0.00 . 2 . . . . 23 PRO HG2 . 17973 1 270 . 1 1 23 23 PRO HG3 H 1 1.67 0.00 . 2 . . . . 23 PRO HG3 . 17973 1 271 . 1 1 23 23 PRO HD2 H 1 2.98 0.01 . 2 . . . . 23 PRO HD2 . 17973 1 272 . 1 1 23 23 PRO HD3 H 1 3.21 0.01 . 2 . . . . 23 PRO HD3 . 17973 1 273 . 1 1 23 23 PRO C C 13 175.99 0.00 . 1 . . . . 23 PRO C . 17973 1 274 . 1 1 23 23 PRO CA C 13 62.53 0.07 . 1 . . . . 23 PRO CA . 17973 1 275 . 1 1 23 23 PRO CB C 13 30.38 0.06 . 1 . . . . 23 PRO CB . 17973 1 276 . 1 1 23 23 PRO CG C 13 27.99 0.06 . 1 . . . . 23 PRO CG . 17973 1 277 . 1 1 23 23 PRO CD C 13 50.76 0.04 . 1 . . . . 23 PRO CD . 17973 1 278 . 1 1 24 24 VAL H H 1 8.56 0.00 . 1 . . . . 24 VAL H . 17973 1 279 . 1 1 24 24 VAL HA H 1 4.67 0.01 . 1 . . . . 24 VAL HA . 17973 1 280 . 1 1 24 24 VAL HB H 1 2.11 0.02 . 1 . . . . 24 VAL HB . 17973 1 281 . 1 1 24 24 VAL HG11 H 1 0.70 0.01 . 1 . . . . 24 VAL HG1 . 17973 1 282 . 1 1 24 24 VAL HG12 H 1 0.70 0.01 . 1 . . . . 24 VAL HG1 . 17973 1 283 . 1 1 24 24 VAL HG13 H 1 0.70 0.01 . 1 . . . . 24 VAL HG1 . 17973 1 284 . 1 1 24 24 VAL HG21 H 1 0.99 0.01 . 1 . . . . 24 VAL HG2 . 17973 1 285 . 1 1 24 24 VAL HG22 H 1 0.99 0.01 . 1 . . . . 24 VAL HG2 . 17973 1 286 . 1 1 24 24 VAL HG23 H 1 0.99 0.01 . 1 . . . . 24 VAL HG2 . 17973 1 287 . 1 1 24 24 VAL C C 13 176.78 0.00 . 1 . . . . 24 VAL C . 17973 1 288 . 1 1 24 24 VAL CA C 13 60.59 0.07 . 1 . . . . 24 VAL CA . 17973 1 289 . 1 1 24 24 VAL CB C 13 33.70 0.04 . 1 . . . . 24 VAL CB . 17973 1 290 . 1 1 24 24 VAL CG1 C 13 18.34 0.05 . 2 . . . . 24 VAL CG1 . 17973 1 291 . 1 1 24 24 VAL CG2 C 13 22.41 0.06 . 2 . . . . 24 VAL CG2 . 17973 1 292 . 1 1 24 24 VAL N N 15 109.10 0.03 . 1 . . . . 24 VAL N . 17973 1 293 . 1 1 25 25 HIS H H 1 7.39 0.00 . 1 . . . . 25 HIS H . 17973 1 294 . 1 1 25 25 HIS HA H 1 5.56 0.00 . 1 . . . . 25 HIS HA . 17973 1 295 . 1 1 25 25 HIS HB2 H 1 3.03 0.00 . 2 . . . . 25 HIS HB2 . 17973 1 296 . 1 1 25 25 HIS HB3 H 1 3.27 0.00 . 2 . . . . 25 HIS HB3 . 17973 1 297 . 1 1 25 25 HIS HD2 H 1 7.12 0.02 . 1 . . . . 25 HIS HD2 . 17973 1 298 . 1 1 25 25 HIS HE1 H 1 8.65 0.01 . 1 . . . . 25 HIS HE1 . 17973 1 299 . 1 1 25 25 HIS CA C 13 54.93 0.04 . 1 . . . . 25 HIS CA . 17973 1 300 . 1 1 25 25 HIS CB C 13 32.46 0.07 . 1 . . . . 25 HIS CB . 17973 1 301 . 1 1 25 25 HIS CD2 C 13 120.45 0.01 . 1 . . . . 25 HIS CD2 . 17973 1 302 . 1 1 25 25 HIS CE1 C 13 137.81 0.07 . 1 . . . . 25 HIS CE1 . 17973 1 303 . 1 1 25 25 HIS N N 15 117.22 0.03 . 1 . . . . 25 HIS N . 17973 1 304 . 1 1 26 26 PHE HA H 1 4.39 0.03 . 1 . . . . 26 PHE HA . 17973 1 305 . 1 1 26 26 PHE HB2 H 1 1.62 0.00 . 2 . . . . 26 PHE HB2 . 17973 1 306 . 1 1 26 26 PHE HB3 H 1 2.88 0.00 . 2 . . . . 26 PHE HB3 . 17973 1 307 . 1 1 26 26 PHE HD1 H 1 6.63 0.02 . 3 . . . . 26 PHE HD1 . 17973 1 308 . 1 1 26 26 PHE HD2 H 1 6.63 0.02 . 3 . . . . 26 PHE HD2 . 17973 1 309 . 1 1 26 26 PHE HE1 H 1 6.70 0.02 . 3 . . . . 26 PHE HE1 . 17973 1 310 . 1 1 26 26 PHE HE2 H 1 6.70 0.02 . 3 . . . . 26 PHE HE2 . 17973 1 311 . 1 1 26 26 PHE C C 13 173.61 0.00 . 1 . . . . 26 PHE C . 17973 1 312 . 1 1 26 26 PHE CA C 13 58.77 0.06 . 1 . . . . 26 PHE CA . 17973 1 313 . 1 1 26 26 PHE CB C 13 39.13 0.09 . 1 . . . . 26 PHE CB . 17973 1 314 . 1 1 26 26 PHE CD1 C 13 130.85 0.01 . 3 . . . . 26 PHE CD1 . 17973 1 315 . 1 1 26 26 PHE CE1 C 13 130.63 0.02 . 3 . . . . 26 PHE CE1 . 17973 1 316 . 1 1 27 27 VAL H H 1 8.17 0.02 . 1 . . . . 27 VAL H . 17973 1 317 . 1 1 27 27 VAL HA H 1 3.78 0.01 . 1 . . . . 27 VAL HA . 17973 1 318 . 1 1 27 27 VAL HB H 1 1.20 0.01 . 1 . . . . 27 VAL HB . 17973 1 319 . 1 1 27 27 VAL HG11 H 1 0.73 0.01 . 1 . . . . 27 VAL HG1 . 17973 1 320 . 1 1 27 27 VAL HG12 H 1 0.73 0.01 . 1 . . . . 27 VAL HG1 . 17973 1 321 . 1 1 27 27 VAL HG13 H 1 0.73 0.01 . 1 . . . . 27 VAL HG1 . 17973 1 322 . 1 1 27 27 VAL HG21 H 1 0.85 0.00 . 1 . . . . 27 VAL HG2 . 17973 1 323 . 1 1 27 27 VAL HG22 H 1 0.85 0.00 . 1 . . . . 27 VAL HG2 . 17973 1 324 . 1 1 27 27 VAL HG23 H 1 0.85 0.00 . 1 . . . . 27 VAL HG2 . 17973 1 325 . 1 1 27 27 VAL C C 13 176.07 0.00 . 1 . . . . 27 VAL C . 17973 1 326 . 1 1 27 27 VAL CA C 13 64.62 0.05 . 1 . . . . 27 VAL CA . 17973 1 327 . 1 1 27 27 VAL CB C 13 32.81 0.08 . 1 . . . . 27 VAL CB . 17973 1 328 . 1 1 27 27 VAL CG1 C 13 22.51 0.10 . 2 . . . . 27 VAL CG1 . 17973 1 329 . 1 1 27 27 VAL CG2 C 13 21.01 0.03 . 2 . . . . 27 VAL CG2 . 17973 1 330 . 1 1 27 27 VAL N N 15 129.18 0.02 . 1 . . . . 27 VAL N . 17973 1 331 . 1 1 28 28 GLY H H 1 6.65 0.00 . 1 . . . . 28 GLY H . 17973 1 332 . 1 1 28 28 GLY HA2 H 1 4.12 0.00 . 2 . . . . 28 GLY HA2 . 17973 1 333 . 1 1 28 28 GLY HA3 H 1 4.12 0.00 . 2 . . . . 28 GLY HA3 . 17973 1 334 . 1 1 28 28 GLY C C 13 170.86 0.00 . 1 . . . . 28 GLY C . 17973 1 335 . 1 1 28 28 GLY CA C 13 45.56 0.06 . 1 . . . . 28 GLY CA . 17973 1 336 . 1 1 28 28 GLY N N 15 102.90 0.02 . 1 . . . . 28 GLY N . 17973 1 337 . 1 1 29 29 VAL H H 1 8.74 0.00 . 1 . . . . 29 VAL H . 17973 1 338 . 1 1 29 29 VAL HA H 1 4.29 0.01 . 1 . . . . 29 VAL HA . 17973 1 339 . 1 1 29 29 VAL HB H 1 2.14 0.02 . 1 . . . . 29 VAL HB . 17973 1 340 . 1 1 29 29 VAL HG11 H 1 1.10 0.00 . 2 . . . . 29 VAL HG1 . 17973 1 341 . 1 1 29 29 VAL HG12 H 1 1.10 0.00 . 2 . . . . 29 VAL HG1 . 17973 1 342 . 1 1 29 29 VAL HG13 H 1 1.10 0.00 . 2 . . . . 29 VAL HG1 . 17973 1 343 . 1 1 29 29 VAL HG21 H 1 1.23 0.00 . 2 . . . . 29 VAL HG2 . 17973 1 344 . 1 1 29 29 VAL HG22 H 1 1.23 0.00 . 2 . . . . 29 VAL HG2 . 17973 1 345 . 1 1 29 29 VAL HG23 H 1 1.23 0.00 . 2 . . . . 29 VAL HG2 . 17973 1 346 . 1 1 29 29 VAL C C 13 177.83 0.00 . 1 . . . . 29 VAL C . 17973 1 347 . 1 1 29 29 VAL CA C 13 62.89 0.05 . 1 . . . . 29 VAL CA . 17973 1 348 . 1 1 29 29 VAL CB C 13 33.26 0.06 . 1 . . . . 29 VAL CB . 17973 1 349 . 1 1 29 29 VAL CG1 C 13 22.00 0.04 . 2 . . . . 29 VAL CG1 . 17973 1 350 . 1 1 29 29 VAL CG2 C 13 22.40 0.04 . 2 . . . . 29 VAL CG2 . 17973 1 351 . 1 1 29 29 VAL N N 15 118.62 0.04 . 1 . . . . 29 VAL N . 17973 1 352 . 1 1 30 30 GLY H H 1 8.75 0.00 . 1 . . . . 30 GLY H . 17973 1 353 . 1 1 30 30 GLY HA2 H 1 3.36 0.00 . 2 . . . . 30 GLY HA2 . 17973 1 354 . 1 1 30 30 GLY HA3 H 1 3.36 0.00 . 2 . . . . 30 GLY HA3 . 17973 1 355 . 1 1 30 30 GLY C C 13 172.77 0.00 . 1 . . . . 30 GLY C . 17973 1 356 . 1 1 30 30 GLY CA C 13 46.80 0.06 . 1 . . . . 30 GLY CA . 17973 1 357 . 1 1 30 30 GLY N N 15 115.29 0.02 . 1 . . . . 30 GLY N . 17973 1 358 . 1 1 31 31 SER H H 1 7.36 0.01 . 1 . . . . 31 SER H . 17973 1 359 . 1 1 31 31 SER HA H 1 4.47 0.01 . 1 . . . . 31 SER HA . 17973 1 360 . 1 1 31 31 SER HB2 H 1 3.69 0.01 . 2 . . . . 31 SER HB2 . 17973 1 361 . 1 1 31 31 SER HB3 H 1 3.97 0.01 . 2 . . . . 31 SER HB3 . 17973 1 362 . 1 1 31 31 SER C C 13 173.40 0.00 . 1 . . . . 31 SER C . 17973 1 363 . 1 1 31 31 SER CA C 13 57.49 0.03 . 1 . . . . 31 SER CA . 17973 1 364 . 1 1 31 31 SER CB C 13 64.89 0.09 . 1 . . . . 31 SER CB . 17973 1 365 . 1 1 31 31 SER N N 15 111.54 0.02 . 1 . . . . 31 SER N . 17973 1 366 . 1 1 32 32 CYS H H 1 9.11 0.01 . 1 . . . . 32 CYS H . 17973 1 367 . 1 1 32 32 CYS HA H 1 4.57 0.00 . 1 . . . . 32 CYS HA . 17973 1 368 . 1 1 32 32 CYS HB2 H 1 2.84 0.02 . 2 . . . . 32 CYS HB2 . 17973 1 369 . 1 1 32 32 CYS HB3 H 1 3.20 0.00 . 2 . . . . 32 CYS HB3 . 17973 1 370 . 1 1 32 32 CYS C C 13 174.84 0.00 . 1 . . . . 32 CYS C . 17973 1 371 . 1 1 32 32 CYS CA C 13 54.60 0.06 . 1 . . . . 32 CYS CA . 17973 1 372 . 1 1 32 32 CYS CB C 13 41.87 0.09 . 1 . . . . 32 CYS CB . 17973 1 373 . 1 1 32 32 CYS N N 15 118.07 0.03 . 1 . . . . 32 CYS N . 17973 1 374 . 1 1 33 33 GLY H H 1 8.33 0.00 . 1 . . . . 33 GLY H . 17973 1 375 . 1 1 33 33 GLY HA2 H 1 4.67 0.00 . 2 . . . . 33 GLY HA2 . 17973 1 376 . 1 1 33 33 GLY HA3 H 1 4.67 0.00 . 2 . . . . 33 GLY HA3 . 17973 1 377 . 1 1 33 33 GLY C C 13 174.05 0.00 . 1 . . . . 33 GLY C . 17973 1 378 . 1 1 33 33 GLY CA C 13 45.30 0.05 . 1 . . . . 33 GLY CA . 17973 1 379 . 1 1 33 33 GLY N N 15 108.63 0.03 . 1 . . . . 33 GLY N . 17973 1 380 . 1 1 34 34 SER H H 1 8.34 0.00 . 1 . . . . 34 SER H . 17973 1 381 . 1 1 34 34 SER HA H 1 4.47 0.01 . 1 . . . . 34 SER HA . 17973 1 382 . 1 1 34 34 SER HB2 H 1 3.85 0.01 . 2 . . . . 34 SER HB2 . 17973 1 383 . 1 1 34 34 SER HB3 H 1 3.92 0.01 . 2 . . . . 34 SER HB3 . 17973 1 384 . 1 1 34 34 SER C C 13 175.30 0.00 . 1 . . . . 34 SER C . 17973 1 385 . 1 1 34 34 SER CA C 13 58.57 0.08 . 1 . . . . 34 SER CA . 17973 1 386 . 1 1 34 34 SER CB C 13 64.14 0.06 . 1 . . . . 34 SER CB . 17973 1 387 . 1 1 34 34 SER N N 15 115.88 0.03 . 1 . . . . 34 SER N . 17973 1 388 . 1 1 35 35 GLY H H 1 8.46 0.00 . 1 . . . . 35 GLY H . 17973 1 389 . 1 1 35 35 GLY HA2 H 1 3.97 0.01 . 2 . . . . 35 GLY HA2 . 17973 1 390 . 1 1 35 35 GLY HA3 H 1 3.97 0.01 . 2 . . . . 35 GLY HA3 . 17973 1 391 . 1 1 35 35 GLY C C 13 174.78 0.00 . 1 . . . . 35 GLY C . 17973 1 392 . 1 1 35 35 GLY CA C 13 45.58 0.05 . 1 . . . . 35 GLY CA . 17973 1 393 . 1 1 35 35 GLY N N 15 110.79 0.04 . 1 . . . . 35 GLY N . 17973 1 394 . 1 1 36 36 GLY H H 1 8.20 0.00 . 1 . . . . 36 GLY H . 17973 1 395 . 1 1 36 36 GLY HA2 H 1 4.00 0.01 . 2 . . . . 36 GLY HA2 . 17973 1 396 . 1 1 36 36 GLY HA3 H 1 4.00 0.01 . 2 . . . . 36 GLY HA3 . 17973 1 397 . 1 1 36 36 GLY C C 13 174.36 0.00 . 1 . . . . 36 GLY C . 17973 1 398 . 1 1 36 36 GLY CA C 13 45.38 0.03 . 1 . . . . 36 GLY CA . 17973 1 399 . 1 1 36 36 GLY N N 15 108.82 0.03 . 1 . . . . 36 GLY N . 17973 1 400 . 1 1 37 37 SER H H 1 8.25 0.00 . 1 . . . . 37 SER H . 17973 1 401 . 1 1 37 37 SER HA H 1 4.45 0.01 . 1 . . . . 37 SER HA . 17973 1 402 . 1 1 37 37 SER HB2 H 1 3.70 0.01 . 2 . . . . 37 SER HB2 . 17973 1 403 . 1 1 37 37 SER HB3 H 1 3.78 0.01 . 2 . . . . 37 SER HB3 . 17973 1 404 . 1 1 37 37 SER C C 13 175.10 0.00 . 1 . . . . 37 SER C . 17973 1 405 . 1 1 37 37 SER CA C 13 58.65 0.06 . 1 . . . . 37 SER CA . 17973 1 406 . 1 1 37 37 SER CB C 13 64.17 0.04 . 1 . . . . 37 SER CB . 17973 1 407 . 1 1 37 37 SER N N 15 115.51 0.02 . 1 . . . . 37 SER N . 17973 1 408 . 1 1 38 38 GLY H H 1 8.39 0.00 . 1 . . . . 38 GLY H . 17973 1 409 . 1 1 38 38 GLY HA2 H 1 4.02 0.01 . 2 . . . . 38 GLY HA2 . 17973 1 410 . 1 1 38 38 GLY HA3 H 1 4.02 0.01 . 2 . . . . 38 GLY HA3 . 17973 1 411 . 1 1 38 38 GLY C C 13 173.96 0.00 . 1 . . . . 38 GLY C . 17973 1 412 . 1 1 38 38 GLY CA C 13 45.51 0.06 . 1 . . . . 38 GLY CA . 17973 1 413 . 1 1 38 38 GLY N N 15 110.63 0.03 . 1 . . . . 38 GLY N . 17973 1 414 . 1 1 39 39 ILE H H 1 7.72 0.01 . 1 . . . . 39 ILE H . 17973 1 415 . 1 1 39 39 ILE HA H 1 4.12 0.01 . 1 . . . . 39 ILE HA . 17973 1 416 . 1 1 39 39 ILE HB H 1 1.75 0.00 . 1 . . . . 39 ILE HB . 17973 1 417 . 1 1 39 39 ILE HG12 H 1 1.05 0.01 . 2 . . . . 39 ILE HG12 . 17973 1 418 . 1 1 39 39 ILE HG13 H 1 1.27 0.00 . 2 . . . . 39 ILE HG13 . 17973 1 419 . 1 1 39 39 ILE HG21 H 1 0.77 0.01 . 1 . . . . 39 ILE HG2 . 17973 1 420 . 1 1 39 39 ILE HG22 H 1 0.77 0.01 . 1 . . . . 39 ILE HG2 . 17973 1 421 . 1 1 39 39 ILE HG23 H 1 0.77 0.01 . 1 . . . . 39 ILE HG2 . 17973 1 422 . 1 1 39 39 ILE HD11 H 1 0.79 0.01 . 1 . . . . 39 ILE HD1 . 17973 1 423 . 1 1 39 39 ILE HD12 H 1 0.79 0.01 . 1 . . . . 39 ILE HD1 . 17973 1 424 . 1 1 39 39 ILE HD13 H 1 0.79 0.01 . 1 . . . . 39 ILE HD1 . 17973 1 425 . 1 1 39 39 ILE C C 13 175.79 0.00 . 1 . . . . 39 ILE C . 17973 1 426 . 1 1 39 39 ILE CA C 13 61.25 0.05 . 1 . . . . 39 ILE CA . 17973 1 427 . 1 1 39 39 ILE CB C 13 38.62 0.06 . 1 . . . . 39 ILE CB . 17973 1 428 . 1 1 39 39 ILE CG1 C 13 27.15 0.06 . 1 . . . . 39 ILE CG1 . 17973 1 429 . 1 1 39 39 ILE CG2 C 13 17.48 0.03 . 1 . . . . 39 ILE CG2 . 17973 1 430 . 1 1 39 39 ILE CD1 C 13 13.02 0.03 . 1 . . . . 39 ILE CD1 . 17973 1 431 . 1 1 39 39 ILE N N 15 119.39 0.01 . 1 . . . . 39 ILE N . 17973 1 432 . 1 1 40 40 PHE H H 1 8.22 0.00 . 1 . . . . 40 PHE H . 17973 1 433 . 1 1 40 40 PHE HA H 1 4.66 0.01 . 1 . . . . 40 PHE HA . 17973 1 434 . 1 1 40 40 PHE HB2 H 1 2.99 0.01 . 2 . . . . 40 PHE HB2 . 17973 1 435 . 1 1 40 40 PHE HB3 H 1 3.14 0.01 . 2 . . . . 40 PHE HB3 . 17973 1 436 . 1 1 40 40 PHE HD1 H 1 7.25 0.02 . 3 . . . . 40 PHE HD1 . 17973 1 437 . 1 1 40 40 PHE HD2 H 1 7.25 0.02 . 3 . . . . 40 PHE HD2 . 17973 1 438 . 1 1 40 40 PHE HE1 H 1 7.34 0.02 . 3 . . . . 40 PHE HE1 . 17973 1 439 . 1 1 40 40 PHE HE2 H 1 7.34 0.02 . 3 . . . . 40 PHE HE2 . 17973 1 440 . 1 1 40 40 PHE C C 13 175.36 0.00 . 1 . . . . 40 PHE C . 17973 1 441 . 1 1 40 40 PHE CA C 13 57.69 0.04 . 1 . . . . 40 PHE CA . 17973 1 442 . 1 1 40 40 PHE CB C 13 39.46 0.04 . 1 . . . . 40 PHE CB . 17973 1 443 . 1 1 40 40 PHE CD1 C 13 131.64 0.02 . 3 . . . . 40 PHE CD1 . 17973 1 444 . 1 1 40 40 PHE CE1 C 13 131.84 0.08 . 3 . . . . 40 PHE CE1 . 17973 1 445 . 1 1 40 40 PHE N N 15 124.02 0.02 . 1 . . . . 40 PHE N . 17973 1 446 . 1 1 41 41 LEU H H 1 8.03 0.00 . 1 . . . . 41 LEU H . 17973 1 447 . 1 1 41 41 LEU HA H 1 4.36 0.02 . 1 . . . . 41 LEU HA . 17973 1 448 . 1 1 41 41 LEU HB2 H 1 1.55 0.01 . 2 . . . . 41 LEU HB2 . 17973 1 449 . 1 1 41 41 LEU HB3 H 1 1.55 0.01 . 2 . . . . 41 LEU HB3 . 17973 1 450 . 1 1 41 41 LEU HG H 1 1.35 0.01 . 1 . . . . 41 LEU HG . 17973 1 451 . 1 1 41 41 LEU HD11 H 1 0.82 0.02 . 2 . . . . 41 LEU HD1 . 17973 1 452 . 1 1 41 41 LEU HD12 H 1 0.82 0.02 . 2 . . . . 41 LEU HD1 . 17973 1 453 . 1 1 41 41 LEU HD13 H 1 0.82 0.02 . 2 . . . . 41 LEU HD1 . 17973 1 454 . 1 1 41 41 LEU HD21 H 1 0.90 0.01 . 2 . . . . 41 LEU HD2 . 17973 1 455 . 1 1 41 41 LEU HD22 H 1 0.90 0.01 . 2 . . . . 41 LEU HD2 . 17973 1 456 . 1 1 41 41 LEU HD23 H 1 0.90 0.01 . 2 . . . . 41 LEU HD2 . 17973 1 457 . 1 1 41 41 LEU C C 13 177.04 0.00 . 1 . . . . 41 LEU C . 17973 1 458 . 1 1 41 41 LEU CA C 13 55.37 0.05 . 1 . . . . 41 LEU CA . 17973 1 459 . 1 1 41 41 LEU CB C 13 42.64 0.07 . 1 . . . . 41 LEU CB . 17973 1 460 . 1 1 41 41 LEU CG C 13 24.88 0.00 . 1 . . . . 41 LEU CG . 17973 1 461 . 1 1 41 41 LEU CD1 C 13 23.51 0.00 . 2 . . . . 41 LEU CD1 . 17973 1 462 . 1 1 41 41 LEU CD2 C 13 25.11 0.00 . 2 . . . . 41 LEU CD2 . 17973 1 463 . 1 1 41 41 LEU N N 15 124.18 0.01 . 1 . . . . 41 LEU N . 17973 1 464 . 1 1 42 42 GLU H H 1 8.34 0.00 . 1 . . . . 42 GLU H . 17973 1 465 . 1 1 42 42 GLU HA H 1 4.34 0.01 . 1 . . . . 42 GLU HA . 17973 1 466 . 1 1 42 42 GLU HB2 H 1 1.98 0.02 . 2 . . . . 42 GLU HB2 . 17973 1 467 . 1 1 42 42 GLU HB3 H 1 2.09 0.01 . 2 . . . . 42 GLU HB3 . 17973 1 468 . 1 1 42 42 GLU HG2 H 1 2.32 0.01 . 2 . . . . 42 GLU HG2 . 17973 1 469 . 1 1 42 42 GLU HG3 H 1 2.32 0.01 . 2 . . . . 42 GLU HG3 . 17973 1 470 . 1 1 42 42 GLU C C 13 176.80 0.00 . 1 . . . . 42 GLU C . 17973 1 471 . 1 1 42 42 GLU CA C 13 56.97 0.05 . 1 . . . . 42 GLU CA . 17973 1 472 . 1 1 42 42 GLU CB C 13 29.91 0.05 . 1 . . . . 42 GLU CB . 17973 1 473 . 1 1 42 42 GLU CG C 13 36.12 0.00 . 1 . . . . 42 GLU CG . 17973 1 474 . 1 1 42 42 GLU N N 15 121.78 0.02 . 1 . . . . 42 GLU N . 17973 1 475 . 1 1 43 43 THR H H 1 8.04 0.00 . 1 . . . . 43 THR H . 17973 1 476 . 1 1 43 43 THR HA H 1 4.34 0.02 . 1 . . . . 43 THR HA . 17973 1 477 . 1 1 43 43 THR HB H 1 4.28 0.01 . 1 . . . . 43 THR HB . 17973 1 478 . 1 1 43 43 THR HG21 H 1 1.21 0.00 . 1 . . . . 43 THR HG2 . 17973 1 479 . 1 1 43 43 THR HG22 H 1 1.21 0.00 . 1 . . . . 43 THR HG2 . 17973 1 480 . 1 1 43 43 THR HG23 H 1 1.21 0.00 . 1 . . . . 43 THR HG2 . 17973 1 481 . 1 1 43 43 THR C C 13 174.89 0.00 . 1 . . . . 43 THR C . 17973 1 482 . 1 1 43 43 THR CA C 13 62.23 0.06 . 1 . . . . 43 THR CA . 17973 1 483 . 1 1 43 43 THR CB C 13 69.77 0.05 . 1 . . . . 43 THR CB . 17973 1 484 . 1 1 43 43 THR CG2 C 13 21.74 0.04 . 1 . . . . 43 THR CG2 . 17973 1 485 . 1 1 43 43 THR N N 15 113.92 0.02 . 1 . . . . 43 THR N . 17973 1 486 . 1 1 44 44 SER H H 1 8.26 0.00 . 1 . . . . 44 SER H . 17973 1 487 . 1 1 44 44 SER HA H 1 4.47 0.01 . 1 . . . . 44 SER HA . 17973 1 488 . 1 1 44 44 SER HB2 H 1 3.90 0.01 . 2 . . . . 44 SER HB2 . 17973 1 489 . 1 1 44 44 SER HB3 H 1 3.90 0.01 . 2 . . . . 44 SER HB3 . 17973 1 490 . 1 1 44 44 SER C C 13 174.68 0.00 . 1 . . . . 44 SER C . 17973 1 491 . 1 1 44 44 SER CA C 13 58.76 0.05 . 1 . . . . 44 SER CA . 17973 1 492 . 1 1 44 44 SER CB C 13 63.78 0.07 . 1 . . . . 44 SER CB . 17973 1 493 . 1 1 44 44 SER N N 15 117.70 0.03 . 1 . . . . 44 SER N . 17973 1 494 . 1 1 45 45 LEU H H 1 8.14 0.00 . 1 . . . . 45 LEU H . 17973 1 495 . 1 1 45 45 LEU HA H 1 4.34 0.01 . 1 . . . . 45 LEU HA . 17973 1 496 . 1 1 45 45 LEU HB2 H 1 1.67 0.01 . 2 . . . . 45 LEU HB2 . 17973 1 497 . 1 1 45 45 LEU HB3 H 1 1.67 0.01 . 2 . . . . 45 LEU HB3 . 17973 1 498 . 1 1 45 45 LEU HG H 1 1.60 0.01 . 1 . . . . 45 LEU HG . 17973 1 499 . 1 1 45 45 LEU HD11 H 1 0.91 0.01 . 2 . . . . 45 LEU HD1 . 17973 1 500 . 1 1 45 45 LEU HD12 H 1 0.91 0.01 . 2 . . . . 45 LEU HD1 . 17973 1 501 . 1 1 45 45 LEU HD13 H 1 0.91 0.01 . 2 . . . . 45 LEU HD1 . 17973 1 502 . 1 1 45 45 LEU HD21 H 1 0.91 0.01 . 2 . . . . 45 LEU HD2 . 17973 1 503 . 1 1 45 45 LEU HD22 H 1 0.91 0.01 . 2 . . . . 45 LEU HD2 . 17973 1 504 . 1 1 45 45 LEU HD23 H 1 0.91 0.01 . 2 . . . . 45 LEU HD2 . 17973 1 505 . 1 1 45 45 LEU C C 13 177.56 0.00 . 1 . . . . 45 LEU C . 17973 1 506 . 1 1 45 45 LEU CA C 13 55.48 0.03 . 1 . . . . 45 LEU CA . 17973 1 507 . 1 1 45 45 LEU CB C 13 42.17 0.03 . 1 . . . . 45 LEU CB . 17973 1 508 . 1 1 45 45 LEU CG C 13 29.83 0.04 . 1 . . . . 45 LEU CG . 17973 1 509 . 1 1 45 45 LEU CD1 C 13 25.07 0.04 . 2 . . . . 45 LEU CD1 . 17973 1 510 . 1 1 45 45 LEU N N 15 123.51 0.02 . 1 . . . . 45 LEU N . 17973 1 511 . 1 1 46 46 SER H H 1 8.17 0.00 . 1 . . . . 46 SER H . 17973 1 512 . 1 1 46 46 SER HA H 1 4.46 0.02 . 1 . . . . 46 SER HA . 17973 1 513 . 1 1 46 46 SER HB2 H 1 3.86 0.02 . 2 . . . . 46 SER HB2 . 17973 1 514 . 1 1 46 46 SER HB3 H 1 3.86 0.02 . 2 . . . . 46 SER HB3 . 17973 1 515 . 1 1 46 46 SER C C 13 174.58 0.00 . 1 . . . . 46 SER C . 17973 1 516 . 1 1 46 46 SER CA C 13 58.36 0.04 . 1 . . . . 46 SER CA . 17973 1 517 . 1 1 46 46 SER CB C 13 64.06 0.07 . 1 . . . . 46 SER CB . 17973 1 518 . 1 1 46 46 SER N N 15 116.00 0.02 . 1 . . . . 46 SER N . 17973 1 519 . 1 1 47 47 ALA H H 1 8.26 0.00 . 1 . . . . 47 ALA H . 17973 1 520 . 1 1 47 47 ALA HA H 1 4.37 0.02 . 1 . . . . 47 ALA HA . 17973 1 521 . 1 1 47 47 ALA HB1 H 1 1.43 0.01 . 1 . . . . 47 ALA HB . 17973 1 522 . 1 1 47 47 ALA HB2 H 1 1.43 0.01 . 1 . . . . 47 ALA HB . 17973 1 523 . 1 1 47 47 ALA HB3 H 1 1.43 0.01 . 1 . . . . 47 ALA HB . 17973 1 524 . 1 1 47 47 ALA C C 13 178.36 0.00 . 1 . . . . 47 ALA C . 17973 1 525 . 1 1 47 47 ALA CA C 13 53.08 0.01 . 1 . . . . 47 ALA CA . 17973 1 526 . 1 1 47 47 ALA CB C 13 19.09 0.05 . 1 . . . . 47 ALA CB . 17973 1 527 . 1 1 47 47 ALA N N 15 125.97 0.02 . 1 . . . . 47 ALA N . 17973 1 528 . 1 1 48 48 GLY H H 1 8.51 0.01 . 1 . . . . 48 GLY H . 17973 1 529 . 1 1 48 48 GLY HA2 H 1 3.99 0.01 . 2 . . . . 48 GLY HA2 . 17973 1 530 . 1 1 48 48 GLY HA3 H 1 4.08 0.00 . 2 . . . . 48 GLY HA3 . 17973 1 531 . 1 1 48 48 GLY C C 13 174.57 0.00 . 1 . . . . 48 GLY C . 17973 1 532 . 1 1 48 48 GLY CA C 13 45.75 0.04 . 1 . . . . 48 GLY CA . 17973 1 533 . 1 1 48 48 GLY N N 15 108.70 0.02 . 1 . . . . 48 GLY N . 17973 1 534 . 1 1 49 49 SER H H 1 8.09 0.00 . 1 . . . . 49 SER H . 17973 1 535 . 1 1 49 49 SER HA H 1 4.46 0.01 . 1 . . . . 49 SER HA . 17973 1 536 . 1 1 49 49 SER HB2 H 1 3.92 0.02 . 2 . . . . 49 SER HB2 . 17973 1 537 . 1 1 49 49 SER HB3 H 1 3.92 0.02 . 2 . . . . 49 SER HB3 . 17973 1 538 . 1 1 49 49 SER C C 13 173.12 0.00 . 1 . . . . 49 SER C . 17973 1 539 . 1 1 49 49 SER CA C 13 57.74 0.05 . 1 . . . . 49 SER CA . 17973 1 540 . 1 1 49 49 SER CB C 13 63.25 0.02 . 1 . . . . 49 SER CB . 17973 1 541 . 1 1 49 49 SER N N 15 116.55 0.02 . 1 . . . . 49 SER N . 17973 1 542 . 1 1 50 50 ASP H H 1 8.16 0.00 . 1 . . . . 50 ASP H . 17973 1 543 . 1 1 50 50 ASP HA H 1 4.88 0.01 . 1 . . . . 50 ASP HA . 17973 1 544 . 1 1 50 50 ASP HB2 H 1 2.94 0.00 . 2 . . . . 50 ASP HB2 . 17973 1 545 . 1 1 50 50 ASP HB3 H 1 3.13 0.01 . 2 . . . . 50 ASP HB3 . 17973 1 546 . 1 1 50 50 ASP C C 13 175.69 0.00 . 1 . . . . 50 ASP C . 17973 1 547 . 1 1 50 50 ASP CA C 13 53.27 0.03 . 1 . . . . 50 ASP CA . 17973 1 548 . 1 1 50 50 ASP CB C 13 42.87 0.07 . 1 . . . . 50 ASP CB . 17973 1 549 . 1 1 50 50 ASP N N 15 120.60 0.02 . 1 . . . . 50 ASP N . 17973 1 550 . 1 1 51 51 TRP H H 1 8.99 0.01 . 1 . . . . 51 TRP H . 17973 1 551 . 1 1 51 51 TRP HA H 1 5.49 0.02 . 1 . . . . 51 TRP HA . 17973 1 552 . 1 1 51 51 TRP HB2 H 1 3.22 0.01 . 2 . . . . 51 TRP HB2 . 17973 1 553 . 1 1 51 51 TRP HB3 H 1 3.39 0.02 . 2 . . . . 51 TRP HB3 . 17973 1 554 . 1 1 51 51 TRP HD1 H 1 7.32 0.02 . 1 . . . . 51 TRP HD1 . 17973 1 555 . 1 1 51 51 TRP HE1 H 1 10.27 0.01 . 1 . . . . 51 TRP HE1 . 17973 1 556 . 1 1 51 51 TRP HE3 H 1 7.24 0.02 . 1 . . . . 51 TRP HE3 . 17973 1 557 . 1 1 51 51 TRP HZ2 H 1 7.40 0.02 . 1 . . . . 51 TRP HZ2 . 17973 1 558 . 1 1 51 51 TRP HZ3 H 1 8.28 0.01 . 1 . . . . 51 TRP HZ3 . 17973 1 559 . 1 1 51 51 TRP HH2 H 1 6.88 0.01 . 1 . . . . 51 TRP HH2 . 17973 1 560 . 1 1 51 51 TRP C C 13 178.10 0.00 . 1 . . . . 51 TRP C . 17973 1 561 . 1 1 51 51 TRP CA C 13 58.19 0.03 . 1 . . . . 51 TRP CA . 17973 1 562 . 1 1 51 51 TRP CB C 13 31.48 0.09 . 1 . . . . 51 TRP CB . 17973 1 563 . 1 1 51 51 TRP CD1 C 13 128.33 0.07 . 1 . . . . 51 TRP CD1 . 17973 1 564 . 1 1 51 51 TRP CE3 C 13 123.94 0.05 . 1 . . . . 51 TRP CE3 . 17973 1 565 . 1 1 51 51 TRP CZ2 C 13 115.19 0.02 . 1 . . . . 51 TRP CZ2 . 17973 1 566 . 1 1 51 51 TRP CZ3 C 13 125.04 0.07 . 1 . . . . 51 TRP CZ3 . 17973 1 567 . 1 1 51 51 TRP CH2 C 13 120.68 0.01 . 1 . . . . 51 TRP CH2 . 17973 1 568 . 1 1 51 51 TRP N N 15 123.03 0.02 . 1 . . . . 51 TRP N . 17973 1 569 . 1 1 51 51 TRP NE1 N 15 129.61 0.01 . 1 . . . . 51 TRP NE1 . 17973 1 570 . 1 1 52 52 LEU H H 1 8.14 0.00 . 1 . . . . 52 LEU H . 17973 1 571 . 1 1 52 52 LEU HA H 1 3.79 0.02 . 1 . . . . 52 LEU HA . 17973 1 572 . 1 1 52 52 LEU HB2 H 1 1.62 0.02 . 2 . . . . 52 LEU HB2 . 17973 1 573 . 1 1 52 52 LEU HB3 H 1 1.80 0.01 . 2 . . . . 52 LEU HB3 . 17973 1 574 . 1 1 52 52 LEU HG H 1 1.66 0.02 . 1 . . . . 52 LEU HG . 17973 1 575 . 1 1 52 52 LEU HD11 H 1 0.86 0.00 . 1 . . . . 52 LEU HD1 . 17973 1 576 . 1 1 52 52 LEU HD12 H 1 0.86 0.00 . 1 . . . . 52 LEU HD1 . 17973 1 577 . 1 1 52 52 LEU HD13 H 1 0.86 0.00 . 1 . . . . 52 LEU HD1 . 17973 1 578 . 1 1 52 52 LEU HD21 H 1 0.93 0.01 . 1 . . . . 52 LEU HD2 . 17973 1 579 . 1 1 52 52 LEU HD22 H 1 0.93 0.01 . 1 . . . . 52 LEU HD2 . 17973 1 580 . 1 1 52 52 LEU HD23 H 1 0.93 0.01 . 1 . . . . 52 LEU HD2 . 17973 1 581 . 1 1 52 52 LEU C C 13 179.96 0.00 . 1 . . . . 52 LEU C . 17973 1 582 . 1 1 52 52 LEU CA C 13 58.70 0.02 . 1 . . . . 52 LEU CA . 17973 1 583 . 1 1 52 52 LEU CB C 13 40.87 0.05 . 1 . . . . 52 LEU CB . 17973 1 584 . 1 1 52 52 LEU CG C 13 27.28 0.02 . 1 . . . . 52 LEU CG . 17973 1 585 . 1 1 52 52 LEU CD1 C 13 24.02 0.02 . 2 . . . . 52 LEU CD1 . 17973 1 586 . 1 1 52 52 LEU CD2 C 13 24.39 0.00 . 2 . . . . 52 LEU CD2 . 17973 1 587 . 1 1 52 52 LEU N N 15 120.92 0.02 . 1 . . . . 52 LEU N . 17973 1 588 . 1 1 53 53 THR H H 1 8.67 0.00 . 1 . . . . 53 THR H . 17973 1 589 . 1 1 53 53 THR HA H 1 4.34 0.01 . 1 . . . . 53 THR HA . 17973 1 590 . 1 1 53 53 THR HB H 1 3.74 0.01 . 1 . . . . 53 THR HB . 17973 1 591 . 1 1 53 53 THR HG21 H 1 1.28 0.01 . 1 . . . . 53 THR HG2 . 17973 1 592 . 1 1 53 53 THR HG22 H 1 1.28 0.01 . 1 . . . . 53 THR HG2 . 17973 1 593 . 1 1 53 53 THR HG23 H 1 1.28 0.01 . 1 . . . . 53 THR HG2 . 17973 1 594 . 1 1 53 53 THR C C 13 175.86 0.00 . 1 . . . . 53 THR C . 17973 1 595 . 1 1 53 53 THR CA C 13 67.39 0.04 . 1 . . . . 53 THR CA . 17973 1 596 . 1 1 53 53 THR CB C 13 67.90 0.04 . 1 . . . . 53 THR CB . 17973 1 597 . 1 1 53 53 THR CG2 C 13 22.19 0.00 . 1 . . . . 53 THR CG2 . 17973 1 598 . 1 1 53 53 THR N N 15 117.31 0.03 . 1 . . . . 53 THR N . 17973 1 599 . 1 1 54 54 PHE H H 1 8.65 0.01 . 1 . . . . 54 PHE H . 17973 1 600 . 1 1 54 54 PHE HA H 1 4.11 0.01 . 1 . . . . 54 PHE HA . 17973 1 601 . 1 1 54 54 PHE HB2 H 1 3.20 0.02 . 2 . . . . 54 PHE HB2 . 17973 1 602 . 1 1 54 54 PHE HB3 H 1 3.69 0.01 . 2 . . . . 54 PHE HB3 . 17973 1 603 . 1 1 54 54 PHE HD1 H 1 7.05 0.02 . 3 . . . . 54 PHE HD1 . 17973 1 604 . 1 1 54 54 PHE HD2 H 1 7.05 0.02 . 3 . . . . 54 PHE HD2 . 17973 1 605 . 1 1 54 54 PHE HE1 H 1 7.10 0.01 . 3 . . . . 54 PHE HE1 . 17973 1 606 . 1 1 54 54 PHE HE2 H 1 7.10 0.01 . 3 . . . . 54 PHE HE2 . 17973 1 607 . 1 1 54 54 PHE HZ H 1 6.93 0.01 . 1 . . . . 54 PHE HZ . 17973 1 608 . 1 1 54 54 PHE C C 13 178.05 0.00 . 1 . . . . 54 PHE C . 17973 1 609 . 1 1 54 54 PHE CA C 13 62.49 0.10 . 1 . . . . 54 PHE CA . 17973 1 610 . 1 1 54 54 PHE CB C 13 39.65 0.05 . 1 . . . . 54 PHE CB . 17973 1 611 . 1 1 54 54 PHE CD1 C 13 132.96 0.06 . 3 . . . . 54 PHE CD1 . 17973 1 612 . 1 1 54 54 PHE CE1 C 13 130.19 0.08 . 3 . . . . 54 PHE CE1 . 17973 1 613 . 1 1 54 54 PHE CZ C 13 128.33 0.06 . 1 . . . . 54 PHE CZ . 17973 1 614 . 1 1 54 54 PHE N N 15 123.50 0.02 . 1 . . . . 54 PHE N . 17973 1 615 . 1 1 55 55 GLN H H 1 8.26 0.01 . 1 . . . . 55 GLN H . 17973 1 616 . 1 1 55 55 GLN HA H 1 3.57 0.01 . 1 . . . . 55 GLN HA . 17973 1 617 . 1 1 55 55 GLN HB2 H 1 1.71 0.01 . 2 . . . . 55 GLN HB2 . 17973 1 618 . 1 1 55 55 GLN HB3 H 1 1.82 0.01 . 2 . . . . 55 GLN HB3 . 17973 1 619 . 1 1 55 55 GLN HG2 H 1 1.28 0.01 . 2 . . . . 55 GLN HG2 . 17973 1 620 . 1 1 55 55 GLN HG3 H 1 1.28 0.01 . 2 . . . . 55 GLN HG3 . 17973 1 621 . 1 1 55 55 GLN HE21 H 1 4.67 0.00 . 2 . . . . 55 GLN HE21 . 17973 1 622 . 1 1 55 55 GLN HE22 H 1 6.57 0.01 . 2 . . . . 55 GLN HE22 . 17973 1 623 . 1 1 55 55 GLN C C 13 178.39 0.00 . 1 . . . . 55 GLN C . 17973 1 624 . 1 1 55 55 GLN CA C 13 59.69 0.03 . 1 . . . . 55 GLN CA . 17973 1 625 . 1 1 55 55 GLN CB C 13 30.15 0.08 . 1 . . . . 55 GLN CB . 17973 1 626 . 1 1 55 55 GLN CG C 13 35.02 0.00 . 1 . . . . 55 GLN CG . 17973 1 627 . 1 1 55 55 GLN N N 15 117.36 0.08 . 1 . . . . 55 GLN N . 17973 1 628 . 1 1 55 55 GLN NE2 N 15 107.58 0.01 . 1 . . . . 55 GLN NE2 . 17973 1 629 . 1 1 56 56 LYS H H 1 7.55 0.00 . 1 . . . . 56 LYS H . 17973 1 630 . 1 1 56 56 LYS HA H 1 3.98 0.00 . 1 . . . . 56 LYS HA . 17973 1 631 . 1 1 56 56 LYS HB2 H 1 1.75 0.02 . 2 . . . . 56 LYS HB2 . 17973 1 632 . 1 1 56 56 LYS HB3 H 1 1.85 0.01 . 2 . . . . 56 LYS HB3 . 17973 1 633 . 1 1 56 56 LYS HG2 H 1 1.46 0.00 . 2 . . . . 56 LYS HG2 . 17973 1 634 . 1 1 56 56 LYS HG3 H 1 1.46 0.00 . 2 . . . . 56 LYS HG3 . 17973 1 635 . 1 1 56 56 LYS HD2 H 1 1.56 0.06 . 2 . . . . 56 LYS HD2 . 17973 1 636 . 1 1 56 56 LYS HD3 H 1 1.56 0.06 . 2 . . . . 56 LYS HD3 . 17973 1 637 . 1 1 56 56 LYS HE2 H 1 2.88 0.01 . 2 . . . . 56 LYS HE2 . 17973 1 638 . 1 1 56 56 LYS HE3 H 1 2.88 0.01 . 2 . . . . 56 LYS HE3 . 17973 1 639 . 1 1 56 56 LYS C C 13 178.77 0.00 . 1 . . . . 56 LYS C . 17973 1 640 . 1 1 56 56 LYS CA C 13 59.14 0.04 . 1 . . . . 56 LYS CA . 17973 1 641 . 1 1 56 56 LYS CB C 13 32.75 0.06 . 1 . . . . 56 LYS CB . 17973 1 642 . 1 1 56 56 LYS CG C 13 25.29 0.06 . 1 . . . . 56 LYS CG . 17973 1 643 . 1 1 56 56 LYS CD C 13 29.43 0.01 . 1 . . . . 56 LYS CD . 17973 1 644 . 1 1 56 56 LYS CE C 13 42.19 0.01 . 1 . . . . 56 LYS CE . 17973 1 645 . 1 1 56 56 LYS N N 15 117.92 0.02 . 1 . . . . 56 LYS N . 17973 1 646 . 1 1 57 57 LYS H H 1 8.00 0.00 . 1 . . . . 57 LYS H . 17973 1 647 . 1 1 57 57 LYS HA H 1 4.13 0.02 . 1 . . . . 57 LYS HA . 17973 1 648 . 1 1 57 57 LYS HB2 H 1 1.01 0.01 . 2 . . . . 57 LYS HB2 . 17973 1 649 . 1 1 57 57 LYS HB3 H 1 1.34 0.01 . 2 . . . . 57 LYS HB3 . 17973 1 650 . 1 1 57 57 LYS HG2 H 1 1.41 0.01 . 2 . . . . 57 LYS HG2 . 17973 1 651 . 1 1 57 57 LYS HG3 H 1 1.41 0.01 . 2 . . . . 57 LYS HG3 . 17973 1 652 . 1 1 57 57 LYS HD2 H 1 1.52 0.01 . 2 . . . . 57 LYS HD2 . 17973 1 653 . 1 1 57 57 LYS HD3 H 1 1.52 0.01 . 2 . . . . 57 LYS HD3 . 17973 1 654 . 1 1 57 57 LYS HE2 H 1 2.79 0.00 . 2 . . . . 57 LYS HE2 . 17973 1 655 . 1 1 57 57 LYS HE3 H 1 2.79 0.00 . 2 . . . . 57 LYS HE3 . 17973 1 656 . 1 1 57 57 LYS C C 13 176.56 0.00 . 1 . . . . 57 LYS C . 17973 1 657 . 1 1 57 57 LYS CA C 13 57.83 0.02 . 1 . . . . 57 LYS CA . 17973 1 658 . 1 1 57 57 LYS CB C 13 34.63 0.05 . 1 . . . . 57 LYS CB . 17973 1 659 . 1 1 57 57 LYS CG C 13 26.90 0.00 . 1 . . . . 57 LYS CG . 17973 1 660 . 1 1 57 57 LYS CD C 13 29.49 0.03 . 1 . . . . 57 LYS CD . 17973 1 661 . 1 1 57 57 LYS CE C 13 39.73 0.00 . 1 . . . . 57 LYS CE . 17973 1 662 . 1 1 57 57 LYS N N 15 114.03 0.03 . 1 . . . . 57 LYS N . 17973 1 663 . 1 1 58 58 HIS H H 1 7.85 0.00 . 1 . . . . 58 HIS H . 17973 1 664 . 1 1 58 58 HIS HA H 1 4.65 0.03 . 1 . . . . 58 HIS HA . 17973 1 665 . 1 1 58 58 HIS HB2 H 1 1.80 0.00 . 2 . . . . 58 HIS HB2 . 17973 1 666 . 1 1 58 58 HIS HB3 H 1 2.64 0.01 . 2 . . . . 58 HIS HB3 . 17973 1 667 . 1 1 58 58 HIS HD2 H 1 6.38 0.06 . 1 . . . . 58 HIS HD2 . 17973 1 668 . 1 1 58 58 HIS HE1 H 1 8.33 0.01 . 1 . . . . 58 HIS HE1 . 17973 1 669 . 1 1 58 58 HIS C C 13 173.94 0.00 . 1 . . . . 58 HIS C . 17973 1 670 . 1 1 58 58 HIS CA C 13 55.47 0.06 . 1 . . . . 58 HIS CA . 17973 1 671 . 1 1 58 58 HIS CB C 13 30.30 0.07 . 1 . . . . 58 HIS CB . 17973 1 672 . 1 1 58 58 HIS CD2 C 13 122.70 0.09 . 1 . . . . 58 HIS CD2 . 17973 1 673 . 1 1 58 58 HIS CE1 C 13 138.34 0.07 . 1 . . . . 58 HIS CE1 . 17973 1 674 . 1 1 58 58 HIS N N 15 107.50 0.02 . 1 . . . . 58 HIS N . 17973 1 675 . 1 1 59 59 ILE H H 1 8.29 0.00 . 1 . . . . 59 ILE H . 17973 1 676 . 1 1 59 59 ILE HA H 1 5.15 0.01 . 1 . . . . 59 ILE HA . 17973 1 677 . 1 1 59 59 ILE HB H 1 2.26 0.00 . 1 . . . . 59 ILE HB . 17973 1 678 . 1 1 59 59 ILE HG12 H 1 1.35 0.00 . 2 . . . . 59 ILE HG12 . 17973 1 679 . 1 1 59 59 ILE HG13 H 1 1.67 0.00 . 2 . . . . 59 ILE HG13 . 17973 1 680 . 1 1 59 59 ILE HG21 H 1 1.07 0.00 . 1 . . . . 59 ILE HG2 . 17973 1 681 . 1 1 59 59 ILE HG22 H 1 1.07 0.00 . 1 . . . . 59 ILE HG2 . 17973 1 682 . 1 1 59 59 ILE HG23 H 1 1.07 0.00 . 1 . . . . 59 ILE HG2 . 17973 1 683 . 1 1 59 59 ILE HD11 H 1 1.11 0.00 . 1 . . . . 59 ILE HD1 . 17973 1 684 . 1 1 59 59 ILE HD12 H 1 1.11 0.00 . 1 . . . . 59 ILE HD1 . 17973 1 685 . 1 1 59 59 ILE HD13 H 1 1.11 0.00 . 1 . . . . 59 ILE HD1 . 17973 1 686 . 1 1 59 59 ILE C C 13 175.09 0.00 . 1 . . . . 59 ILE C . 17973 1 687 . 1 1 59 59 ILE CA C 13 60.89 0.02 . 1 . . . . 59 ILE CA . 17973 1 688 . 1 1 59 59 ILE CB C 13 37.33 0.03 . 1 . . . . 59 ILE CB . 17973 1 689 . 1 1 59 59 ILE CG1 C 13 28.25 0.01 . 1 . . . . 59 ILE CG1 . 17973 1 690 . 1 1 59 59 ILE CG2 C 13 17.73 0.00 . 1 . . . . 59 ILE CG2 . 17973 1 691 . 1 1 59 59 ILE CD1 C 13 12.97 0.00 . 1 . . . . 59 ILE CD1 . 17973 1 692 . 1 1 59 59 ILE N N 15 121.71 0.02 . 1 . . . . 59 ILE N . 17973 1 693 . 1 1 60 60 THR H H 1 8.65 0.00 . 1 . . . . 60 THR H . 17973 1 694 . 1 1 60 60 THR HA H 1 5.08 0.01 . 1 . . . . 60 THR HA . 17973 1 695 . 1 1 60 60 THR HB H 1 3.76 0.01 . 1 . . . . 60 THR HB . 17973 1 696 . 1 1 60 60 THR HG21 H 1 1.10 0.01 . 1 . . . . 60 THR HG2 . 17973 1 697 . 1 1 60 60 THR HG22 H 1 1.10 0.01 . 1 . . . . 60 THR HG2 . 17973 1 698 . 1 1 60 60 THR HG23 H 1 1.10 0.01 . 1 . . . . 60 THR HG2 . 17973 1 699 . 1 1 60 60 THR C C 13 171.44 0.00 . 1 . . . . 60 THR C . 17973 1 700 . 1 1 60 60 THR CA C 13 58.11 0.07 . 1 . . . . 60 THR CA . 17973 1 701 . 1 1 60 60 THR CB C 13 70.94 0.04 . 1 . . . . 60 THR CB . 17973 1 702 . 1 1 60 60 THR CG2 C 13 20.06 0.03 . 1 . . . . 60 THR CG2 . 17973 1 703 . 1 1 60 60 THR N N 15 120.51 0.02 . 1 . . . . 60 THR N . 17973 1 704 . 1 1 61 61 ASN H H 1 8.33 0.00 . 1 . . . . 61 ASN H . 17973 1 705 . 1 1 61 61 ASN HA H 1 4.97 0.01 . 1 . . . . 61 ASN HA . 17973 1 706 . 1 1 61 61 ASN HB2 H 1 2.86 0.01 . 2 . . . . 61 ASN HB2 . 17973 1 707 . 1 1 61 61 ASN HB3 H 1 3.07 0.01 . 2 . . . . 61 ASN HB3 . 17973 1 708 . 1 1 61 61 ASN HD21 H 1 6.81 0.00 . 2 . . . . 61 ASN HD21 . 17973 1 709 . 1 1 61 61 ASN HD22 H 1 7.53 0.00 . 2 . . . . 61 ASN HD22 . 17973 1 710 . 1 1 61 61 ASN C C 13 174.85 0.00 . 1 . . . . 61 ASN C . 17973 1 711 . 1 1 61 61 ASN CA C 13 52.77 0.03 . 1 . . . . 61 ASN CA . 17973 1 712 . 1 1 61 61 ASN CB C 13 38.39 0.05 . 1 . . . . 61 ASN CB . 17973 1 713 . 1 1 61 61 ASN N N 15 123.15 0.03 . 1 . . . . 61 ASN N . 17973 1 714 . 1 1 61 61 ASN ND2 N 15 111.29 0.01 . 1 . . . . 61 ASN ND2 . 17973 1 715 . 1 1 62 62 THR H H 1 7.96 0.00 . 1 . . . . 62 THR H . 17973 1 716 . 1 1 62 62 THR HA H 1 4.49 0.00 . 1 . . . . 62 THR HA . 17973 1 717 . 1 1 62 62 THR HB H 1 3.98 0.01 . 1 . . . . 62 THR HB . 17973 1 718 . 1 1 62 62 THR HG21 H 1 0.84 0.01 . 1 . . . . 62 THR HG2 . 17973 1 719 . 1 1 62 62 THR HG22 H 1 0.84 0.01 . 1 . . . . 62 THR HG2 . 17973 1 720 . 1 1 62 62 THR HG23 H 1 0.84 0.01 . 1 . . . . 62 THR HG2 . 17973 1 721 . 1 1 62 62 THR C C 13 172.66 0.00 . 1 . . . . 62 THR C . 17973 1 722 . 1 1 62 62 THR CA C 13 58.98 0.04 . 1 . . . . 62 THR CA . 17973 1 723 . 1 1 62 62 THR CB C 13 69.61 0.07 . 1 . . . . 62 THR CB . 17973 1 724 . 1 1 62 62 THR CG2 C 13 23.85 0.06 . 1 . . . . 62 THR CG2 . 17973 1 725 . 1 1 62 62 THR N N 15 113.55 0.03 . 1 . . . . 62 THR N . 17973 1 726 . 1 1 63 63 ARG H H 1 8.50 0.00 . 1 . . . . 63 ARG H . 17973 1 727 . 1 1 63 63 ARG HA H 1 3.59 0.02 . 1 . . . . 63 ARG HA . 17973 1 728 . 1 1 63 63 ARG HB2 H 1 0.98 0.02 . 2 . . . . 63 ARG HB2 . 17973 1 729 . 1 1 63 63 ARG HB3 H 1 1.39 0.00 . 2 . . . . 63 ARG HB3 . 17973 1 730 . 1 1 63 63 ARG HG2 H 1 0.99 0.00 . 2 . . . . 63 ARG HG2 . 17973 1 731 . 1 1 63 63 ARG HG3 H 1 1.09 0.00 . 2 . . . . 63 ARG HG3 . 17973 1 732 . 1 1 63 63 ARG HD2 H 1 2.77 0.01 . 2 . . . . 63 ARG HD2 . 17973 1 733 . 1 1 63 63 ARG HD3 H 1 2.77 0.01 . 2 . . . . 63 ARG HD3 . 17973 1 734 . 1 1 63 63 ARG C C 13 178.58 0.00 . 1 . . . . 63 ARG C . 17973 1 735 . 1 1 63 63 ARG CA C 13 57.91 0.02 . 1 . . . . 63 ARG CA . 17973 1 736 . 1 1 63 63 ARG CB C 13 29.42 0.03 . 1 . . . . 63 ARG CB . 17973 1 737 . 1 1 63 63 ARG CG C 13 26.58 0.01 . 1 . . . . 63 ARG CG . 17973 1 738 . 1 1 63 63 ARG CD C 13 42.98 0.05 . 1 . . . . 63 ARG CD . 17973 1 739 . 1 1 63 63 ARG N N 15 125.70 0.02 . 1 . . . . 63 ARG N . 17973 1 740 . 1 1 64 64 ASP H H 1 7.92 0.00 . 1 . . . . 64 ASP H . 17973 1 741 . 1 1 64 64 ASP HA H 1 4.65 0.01 . 1 . . . . 64 ASP HA . 17973 1 742 . 1 1 64 64 ASP HB2 H 1 2.24 0.00 . 2 . . . . 64 ASP HB2 . 17973 1 743 . 1 1 64 64 ASP HB3 H 1 2.42 0.01 . 2 . . . . 64 ASP HB3 . 17973 1 744 . 1 1 64 64 ASP C C 13 174.10 0.00 . 1 . . . . 64 ASP C . 17973 1 745 . 1 1 64 64 ASP CA C 13 53.14 0.01 . 1 . . . . 64 ASP CA . 17973 1 746 . 1 1 64 64 ASP CB C 13 39.26 0.07 . 1 . . . . 64 ASP CB . 17973 1 747 . 1 1 64 64 ASP N N 15 122.08 0.03 . 1 . . . . 64 ASP N . 17973 1 748 . 1 1 65 65 VAL H H 1 6.57 0.00 . 1 . . . . 65 VAL H . 17973 1 749 . 1 1 65 65 VAL HA H 1 3.12 0.01 . 1 . . . . 65 VAL HA . 17973 1 750 . 1 1 65 65 VAL HB H 1 1.34 0.01 . 1 . . . . 65 VAL HB . 17973 1 751 . 1 1 65 65 VAL HG11 H 1 -0.02 0.01 . 1 . . . . 65 VAL HG1 . 17973 1 752 . 1 1 65 65 VAL HG12 H 1 -0.02 0.01 . 1 . . . . 65 VAL HG1 . 17973 1 753 . 1 1 65 65 VAL HG13 H 1 -0.02 0.01 . 1 . . . . 65 VAL HG1 . 17973 1 754 . 1 1 65 65 VAL HG21 H 1 0.45 0.01 . 1 . . . . 65 VAL HG2 . 17973 1 755 . 1 1 65 65 VAL HG22 H 1 0.45 0.01 . 1 . . . . 65 VAL HG2 . 17973 1 756 . 1 1 65 65 VAL HG23 H 1 0.45 0.01 . 1 . . . . 65 VAL HG2 . 17973 1 757 . 1 1 65 65 VAL C C 13 175.44 0.00 . 1 . . . . 65 VAL C . 17973 1 758 . 1 1 65 65 VAL CA C 13 62.97 0.03 . 1 . . . . 65 VAL CA . 17973 1 759 . 1 1 65 65 VAL CB C 13 32.52 0.07 . 1 . . . . 65 VAL CB . 17973 1 760 . 1 1 65 65 VAL CG1 C 13 20.19 0.04 . 2 . . . . 65 VAL CG1 . 17973 1 761 . 1 1 65 65 VAL CG2 C 13 21.26 0.04 . 2 . . . . 65 VAL CG2 . 17973 1 762 . 1 1 65 65 VAL N N 15 121.27 0.03 . 1 . . . . 65 VAL N . 17973 1 763 . 1 1 66 66 ASP H H 1 8.58 0.00 . 1 . . . . 66 ASP H . 17973 1 764 . 1 1 66 66 ASP HA H 1 4.63 0.01 . 1 . . . . 66 ASP HA . 17973 1 765 . 1 1 66 66 ASP HB2 H 1 2.47 0.00 . 2 . . . . 66 ASP HB2 . 17973 1 766 . 1 1 66 66 ASP HB3 H 1 2.88 0.01 . 2 . . . . 66 ASP HB3 . 17973 1 767 . 1 1 66 66 ASP C C 13 176.41 0.00 . 1 . . . . 66 ASP C . 17973 1 768 . 1 1 66 66 ASP CA C 13 51.47 0.03 . 1 . . . . 66 ASP CA . 17973 1 769 . 1 1 66 66 ASP CB C 13 38.13 0.03 . 1 . . . . 66 ASP CB . 17973 1 770 . 1 1 66 66 ASP N N 15 126.84 0.03 . 1 . . . . 66 ASP N . 17973 1 771 . 1 1 67 67 CYS H H 1 7.94 0.00 . 1 . . . . 67 CYS H . 17973 1 772 . 1 1 67 67 CYS HA H 1 4.65 0.02 . 1 . . . . 67 CYS HA . 17973 1 773 . 1 1 67 67 CYS HB2 H 1 2.98 0.02 . 2 . . . . 67 CYS HB2 . 17973 1 774 . 1 1 67 67 CYS HB3 H 1 3.13 0.01 . 2 . . . . 67 CYS HB3 . 17973 1 775 . 1 1 67 67 CYS C C 13 175.01 0.00 . 1 . . . . 67 CYS C . 17973 1 776 . 1 1 67 67 CYS CA C 13 57.85 0.05 . 1 . . . . 67 CYS CA . 17973 1 777 . 1 1 67 67 CYS CB C 13 39.82 0.08 . 1 . . . . 67 CYS CB . 17973 1 778 . 1 1 67 67 CYS N N 15 121.13 0.03 . 1 . . . . 67 CYS N . 17973 1 779 . 1 1 68 68 DAS H H 1 8.74 0.00 . 1 . . . . 68 DAS H . 17973 1 780 . 1 1 68 68 DAS HA H 1 4.39 0.01 . 1 . . . . 68 DAS HA . 17973 1 781 . 1 1 68 68 DAS HB2 H 1 2.64 0.01 . 2 . . . . 68 DAS HB2 . 17973 1 782 . 1 1 68 68 DAS HB3 H 1 2.78 0.02 . 2 . . . . 68 DAS HB3 . 17973 1 783 . 1 1 68 68 DAS C C 13 177.94 0.00 . 1 . . . . 68 DAS C . 17973 1 784 . 1 1 68 68 DAS CA C 13 58.11 0.06 . 1 . . . . 68 DAS CA . 17973 1 785 . 1 1 68 68 DAS CB C 13 39.39 0.03 . 1 . . . . 68 DAS CB . 17973 1 786 . 1 1 68 68 DAS N N 15 118.59 0.02 . 1 . . . . 68 DAS N . 17973 1 787 . 1 1 69 69 ASN H H 1 7.10 0.00 . 1 . . . . 69 ASN H . 17973 1 788 . 1 1 69 69 ASN HA H 1 4.66 0.00 . 1 . . . . 69 ASN HA . 17973 1 789 . 1 1 69 69 ASN HB2 H 1 2.61 0.01 . 2 . . . . 69 ASN HB2 . 17973 1 790 . 1 1 69 69 ASN HB3 H 1 2.61 0.01 . 2 . . . . 69 ASN HB3 . 17973 1 791 . 1 1 69 69 ASN HD21 H 1 6.81 0.00 . 2 . . . . 69 ASN HD21 . 17973 1 792 . 1 1 69 69 ASN HD22 H 1 8.31 0.00 . 2 . . . . 69 ASN HD22 . 17973 1 793 . 1 1 69 69 ASN C C 13 176.82 0.00 . 1 . . . . 69 ASN C . 17973 1 794 . 1 1 69 69 ASN CA C 13 55.07 0.03 . 1 . . . . 69 ASN CA . 17973 1 795 . 1 1 69 69 ASN CB C 13 39.66 0.03 . 1 . . . . 69 ASN CB . 17973 1 796 . 1 1 69 69 ASN N N 15 114.59 0.02 . 1 . . . . 69 ASN N . 17973 1 797 . 1 1 69 69 ASN ND2 N 15 115.11 0.01 . 1 . . . . 69 ASN ND2 . 17973 1 798 . 1 1 70 70 ILE H H 1 7.90 0.00 . 1 . . . . 70 ILE H . 17973 1 799 . 1 1 70 70 ILE HA H 1 4.08 0.01 . 1 . . . . 70 ILE HA . 17973 1 800 . 1 1 70 70 ILE HB H 1 1.56 0.02 . 1 . . . . 70 ILE HB . 17973 1 801 . 1 1 70 70 ILE HG12 H 1 1.21 0.00 . 2 . . . . 70 ILE HG12 . 17973 1 802 . 1 1 70 70 ILE HG13 H 1 1.40 0.00 . 2 . . . . 70 ILE HG13 . 17973 1 803 . 1 1 70 70 ILE HG21 H 1 0.72 0.00 . 1 . . . . 70 ILE HG2 . 17973 1 804 . 1 1 70 70 ILE HG22 H 1 0.72 0.00 . 1 . . . . 70 ILE HG2 . 17973 1 805 . 1 1 70 70 ILE HG23 H 1 0.72 0.00 . 1 . . . . 70 ILE HG2 . 17973 1 806 . 1 1 70 70 ILE HD11 H 1 0.59 0.01 . 1 . . . . 70 ILE HD1 . 17973 1 807 . 1 1 70 70 ILE HD12 H 1 0.59 0.01 . 1 . . . . 70 ILE HD1 . 17973 1 808 . 1 1 70 70 ILE HD13 H 1 0.59 0.01 . 1 . . . . 70 ILE HD1 . 17973 1 809 . 1 1 70 70 ILE C C 13 178.38 0.00 . 1 . . . . 70 ILE C . 17973 1 810 . 1 1 70 70 ILE CA C 13 63.52 0.03 . 1 . . . . 70 ILE CA . 17973 1 811 . 1 1 70 70 ILE CB C 13 38.40 0.04 . 1 . . . . 70 ILE CB . 17973 1 812 . 1 1 70 70 ILE CG1 C 13 29.07 0.07 . 1 . . . . 70 ILE CG1 . 17973 1 813 . 1 1 70 70 ILE CG2 C 13 13.03 0.05 . 1 . . . . 70 ILE CG2 . 17973 1 814 . 1 1 70 70 ILE CD1 C 13 17.93 0.02 . 1 . . . . 70 ILE CD1 . 17973 1 815 . 1 1 70 70 ILE N N 15 119.13 0.01 . 1 . . . . 70 ILE N . 17973 1 816 . 1 1 71 71 MET H H 1 8.51 0.00 . 1 . . . . 71 MET H . 17973 1 817 . 1 1 71 71 MET HA H 1 4.26 0.00 . 1 . . . . 71 MET HA . 17973 1 818 . 1 1 71 71 MET HB2 H 1 1.77 0.02 . 2 . . . . 71 MET HB2 . 17973 1 819 . 1 1 71 71 MET HB3 H 1 1.77 0.02 . 2 . . . . 71 MET HB3 . 17973 1 820 . 1 1 71 71 MET C C 13 176.49 0.00 . 1 . . . . 71 MET C . 17973 1 821 . 1 1 71 71 MET CA C 13 55.57 0.01 . 1 . . . . 71 MET CA . 17973 1 822 . 1 1 71 71 MET CB C 13 29.78 0.02 . 1 . . . . 71 MET CB . 17973 1 823 . 1 1 71 71 MET N N 15 117.99 0.01 . 1 . . . . 71 MET N . 17973 1 824 . 1 1 72 72 SER H H 1 7.22 0.01 . 1 . . . . 72 SER H . 17973 1 825 . 1 1 72 72 SER HA H 1 4.79 0.01 . 1 . . . . 72 SER HA . 17973 1 826 . 1 1 72 72 SER HB2 H 1 4.17 0.02 . 2 . . . . 72 SER HB2 . 17973 1 827 . 1 1 72 72 SER HB3 H 1 4.22 0.01 . 2 . . . . 72 SER HB3 . 17973 1 828 . 1 1 72 72 SER C C 13 176.13 0.00 . 1 . . . . 72 SER C . 17973 1 829 . 1 1 72 72 SER CA C 13 58.30 0.04 . 1 . . . . 72 SER CA . 17973 1 830 . 1 1 72 72 SER CB C 13 64.74 0.04 . 1 . . . . 72 SER CB . 17973 1 831 . 1 1 72 72 SER N N 15 109.23 0.04 . 1 . . . . 72 SER N . 17973 1 832 . 1 1 73 73 THR H H 1 7.53 0.00 . 1 . . . . 73 THR H . 17973 1 833 . 1 1 73 73 THR HA H 1 4.59 0.04 . 1 . . . . 73 THR HA . 17973 1 834 . 1 1 73 73 THR HB H 1 4.66 0.02 . 1 . . . . 73 THR HB . 17973 1 835 . 1 1 73 73 THR HG21 H 1 1.55 0.00 . 1 . . . . 73 THR HG2 . 17973 1 836 . 1 1 73 73 THR HG22 H 1 1.55 0.00 . 1 . . . . 73 THR HG2 . 17973 1 837 . 1 1 73 73 THR HG23 H 1 1.55 0.00 . 1 . . . . 73 THR HG2 . 17973 1 838 . 1 1 73 73 THR C C 13 175.97 0.00 . 1 . . . . 73 THR C . 17973 1 839 . 1 1 73 73 THR CA C 13 62.01 0.04 . 1 . . . . 73 THR CA . 17973 1 840 . 1 1 73 73 THR CB C 13 72.28 0.05 . 1 . . . . 73 THR CB . 17973 1 841 . 1 1 73 73 THR CG2 C 13 21.85 0.01 . 1 . . . . 73 THR CG2 . 17973 1 842 . 1 1 73 73 THR N N 15 112.55 0.02 . 1 . . . . 73 THR N . 17973 1 843 . 1 1 74 74 ASN H H 1 9.02 0.00 . 1 . . . . 74 ASN H . 17973 1 844 . 1 1 74 74 ASN HA H 1 4.08 0.01 . 1 . . . . 74 ASN HA . 17973 1 845 . 1 1 74 74 ASN HB2 H 1 2.85 0.00 . 2 . . . . 74 ASN HB2 . 17973 1 846 . 1 1 74 74 ASN HB3 H 1 2.85 0.00 . 2 . . . . 74 ASN HB3 . 17973 1 847 . 1 1 74 74 ASN HD21 H 1 6.93 0.00 . 2 . . . . 74 ASN HD21 . 17973 1 848 . 1 1 74 74 ASN HD22 H 1 7.59 0.00 . 2 . . . . 74 ASN HD22 . 17973 1 849 . 1 1 74 74 ASN C C 13 175.58 0.00 . 1 . . . . 74 ASN C . 17973 1 850 . 1 1 74 74 ASN CA C 13 55.79 0.09 . 1 . . . . 74 ASN CA . 17973 1 851 . 1 1 74 74 ASN CB C 13 37.81 0.04 . 1 . . . . 74 ASN CB . 17973 1 852 . 1 1 74 74 ASN N N 15 119.25 0.03 . 1 . . . . 74 ASN N . 17973 1 853 . 1 1 74 74 ASN ND2 N 15 112.32 0.01 . 1 . . . . 74 ASN ND2 . 17973 1 854 . 1 1 75 75 LEU H H 1 7.35 0.00 . 1 . . . . 75 LEU H . 17973 1 855 . 1 1 75 75 LEU HA H 1 3.88 0.01 . 1 . . . . 75 LEU HA . 17973 1 856 . 1 1 75 75 LEU HB2 H 1 0.85 0.01 . 2 . . . . 75 LEU HB2 . 17973 1 857 . 1 1 75 75 LEU HB3 H 1 1.20 0.00 . 2 . . . . 75 LEU HB3 . 17973 1 858 . 1 1 75 75 LEU HG H 1 0.74 0.01 . 1 . . . . 75 LEU HG . 17973 1 859 . 1 1 75 75 LEU HD11 H 1 0.50 0.00 . 2 . . . . 75 LEU HD1 . 17973 1 860 . 1 1 75 75 LEU HD12 H 1 0.50 0.00 . 2 . . . . 75 LEU HD1 . 17973 1 861 . 1 1 75 75 LEU HD13 H 1 0.50 0.00 . 2 . . . . 75 LEU HD1 . 17973 1 862 . 1 1 75 75 LEU HD21 H 1 0.64 0.00 . 2 . . . . 75 LEU HD2 . 17973 1 863 . 1 1 75 75 LEU HD22 H 1 0.64 0.00 . 2 . . . . 75 LEU HD2 . 17973 1 864 . 1 1 75 75 LEU HD23 H 1 0.64 0.00 . 2 . . . . 75 LEU HD2 . 17973 1 865 . 1 1 75 75 LEU C C 13 176.62 0.00 . 1 . . . . 75 LEU C . 17973 1 866 . 1 1 75 75 LEU CA C 13 56.95 0.02 . 1 . . . . 75 LEU CA . 17973 1 867 . 1 1 75 75 LEU CB C 13 42.74 0.03 . 1 . . . . 75 LEU CB . 17973 1 868 . 1 1 75 75 LEU CG C 13 26.32 0.00 . 1 . . . . 75 LEU CG . 17973 1 869 . 1 1 75 75 LEU CD1 C 13 25.19 0.00 . 2 . . . . 75 LEU CD1 . 17973 1 870 . 1 1 75 75 LEU CD2 C 13 23.97 0.00 . 2 . . . . 75 LEU CD2 . 17973 1 871 . 1 1 75 75 LEU N N 15 117.59 0.02 . 1 . . . . 75 LEU N . 17973 1 872 . 1 1 76 76 PHE H H 1 6.81 0.01 . 1 . . . . 76 PHE H . 17973 1 873 . 1 1 76 76 PHE HA H 1 4.53 0.00 . 1 . . . . 76 PHE HA . 17973 1 874 . 1 1 76 76 PHE HB2 H 1 3.01 0.01 . 2 . . . . 76 PHE HB2 . 17973 1 875 . 1 1 76 76 PHE HB3 H 1 3.01 0.01 . 2 . . . . 76 PHE HB3 . 17973 1 876 . 1 1 76 76 PHE HD1 H 1 7.05 0.02 . 3 . . . . 76 PHE HD1 . 17973 1 877 . 1 1 76 76 PHE HD2 H 1 7.05 0.02 . 3 . . . . 76 PHE HD2 . 17973 1 878 . 1 1 76 76 PHE HE1 H 1 7.06 0.00 . 3 . . . . 76 PHE HE1 . 17973 1 879 . 1 1 76 76 PHE HE2 H 1 7.06 0.00 . 3 . . . . 76 PHE HE2 . 17973 1 880 . 1 1 76 76 PHE C C 13 176.19 0.00 . 1 . . . . 76 PHE C . 17973 1 881 . 1 1 76 76 PHE CA C 13 58.85 0.05 . 1 . . . . 76 PHE CA . 17973 1 882 . 1 1 76 76 PHE CB C 13 43.03 0.06 . 1 . . . . 76 PHE CB . 17973 1 883 . 1 1 76 76 PHE N N 15 112.68 0.02 . 1 . . . . 76 PHE N . 17973 1 884 . 1 1 77 77 HIS H H 1 9.02 0.01 . 1 . . . . 77 HIS H . 17973 1 885 . 1 1 77 77 HIS HA H 1 4.33 0.01 . 1 . . . . 77 HIS HA . 17973 1 886 . 1 1 77 77 HIS HB2 H 1 3.25 0.01 . 2 . . . . 77 HIS HB2 . 17973 1 887 . 1 1 77 77 HIS HB3 H 1 3.25 0.01 . 2 . . . . 77 HIS HB3 . 17973 1 888 . 1 1 77 77 HIS HD2 H 1 7.19 0.02 . 1 . . . . 77 HIS HD2 . 17973 1 889 . 1 1 77 77 HIS HE1 H 1 8.61 0.02 . 1 . . . . 77 HIS HE1 . 17973 1 890 . 1 1 77 77 HIS C C 13 173.80 0.00 . 1 . . . . 77 HIS C . 17973 1 891 . 1 1 77 77 HIS CA C 13 56.52 0.02 . 1 . . . . 77 HIS CA . 17973 1 892 . 1 1 77 77 HIS CB C 13 27.52 0.06 . 1 . . . . 77 HIS CB . 17973 1 893 . 1 1 77 77 HIS CD2 C 13 120.72 0.03 . 1 . . . . 77 HIS CD2 . 17973 1 894 . 1 1 77 77 HIS CE1 C 13 136.39 0.08 . 1 . . . . 77 HIS CE1 . 17973 1 895 . 1 1 77 77 HIS N N 15 114.65 0.03 . 1 . . . . 77 HIS N . 17973 1 896 . 1 1 78 78 CYS H H 1 9.20 0.00 . 1 . . . . 78 CYS H . 17973 1 897 . 1 1 78 78 CYS HA H 1 4.61 0.01 . 1 . . . . 78 CYS HA . 17973 1 898 . 1 1 78 78 CYS HB2 H 1 3.27 0.02 . 2 . . . . 78 CYS HB2 . 17973 1 899 . 1 1 78 78 CYS HB3 H 1 3.49 0.01 . 2 . . . . 78 CYS HB3 . 17973 1 900 . 1 1 78 78 CYS C C 13 175.34 0.00 . 1 . . . . 78 CYS C . 17973 1 901 . 1 1 78 78 CYS CA C 13 56.80 0.01 . 1 . . . . 78 CYS CA . 17973 1 902 . 1 1 78 78 CYS CB C 13 39.57 0.10 . 1 . . . . 78 CYS CB . 17973 1 903 . 1 1 78 78 CYS N N 15 109.70 0.02 . 1 . . . . 78 CYS N . 17973 1 904 . 1 1 79 79 LYS H H 1 7.20 0.00 . 1 . . . . 79 LYS H . 17973 1 905 . 1 1 79 79 LYS HA H 1 4.37 0.01 . 1 . . . . 79 LYS HA . 17973 1 906 . 1 1 79 79 LYS HB2 H 1 2.26 0.02 . 2 . . . . 79 LYS HB2 . 17973 1 907 . 1 1 79 79 LYS HB3 H 1 2.26 0.02 . 2 . . . . 79 LYS HB3 . 17973 1 908 . 1 1 79 79 LYS HG2 H 1 1.58 0.01 . 2 . . . . 79 LYS HG2 . 17973 1 909 . 1 1 79 79 LYS HG3 H 1 1.72 0.01 . 2 . . . . 79 LYS HG3 . 17973 1 910 . 1 1 79 79 LYS HD2 H 1 1.87 0.01 . 2 . . . . 79 LYS HD2 . 17973 1 911 . 1 1 79 79 LYS HD3 H 1 2.00 0.03 . 2 . . . . 79 LYS HD3 . 17973 1 912 . 1 1 79 79 LYS HE2 H 1 3.31 0.01 . 2 . . . . 79 LYS HE2 . 17973 1 913 . 1 1 79 79 LYS HE3 H 1 3.31 0.01 . 2 . . . . 79 LYS HE3 . 17973 1 914 . 1 1 79 79 LYS HZ1 H 1 7.05 0.00 . 1 . . . . 79 LYS HZ . 17973 1 915 . 1 1 79 79 LYS HZ2 H 1 7.05 0.00 . 1 . . . . 79 LYS HZ . 17973 1 916 . 1 1 79 79 LYS HZ3 H 1 7.05 0.00 . 1 . . . . 79 LYS HZ . 17973 1 917 . 1 1 79 79 LYS C C 13 176.30 0.00 . 1 . . . . 79 LYS C . 17973 1 918 . 1 1 79 79 LYS CA C 13 56.71 0.03 . 1 . . . . 79 LYS CA . 17973 1 919 . 1 1 79 79 LYS CB C 13 32.76 0.06 . 1 . . . . 79 LYS CB . 17973 1 920 . 1 1 79 79 LYS CG C 13 24.74 0.03 . 1 . . . . 79 LYS CG . 17973 1 921 . 1 1 79 79 LYS CD C 13 30.33 0.03 . 1 . . . . 79 LYS CD . 17973 1 922 . 1 1 79 79 LYS CE C 13 41.95 0.03 . 1 . . . . 79 LYS CE . 17973 1 923 . 1 1 79 79 LYS N N 15 116.82 0.01 . 1 . . . . 79 LYS N . 17973 1 924 . 1 1 80 80 ASP H H 1 8.56 0.00 . 1 . . . . 80 ASP H . 17973 1 925 . 1 1 80 80 ASP HA H 1 4.20 0.00 . 1 . . . . 80 ASP HA . 17973 1 926 . 1 1 80 80 ASP HB2 H 1 2.80 0.01 . 2 . . . . 80 ASP HB2 . 17973 1 927 . 1 1 80 80 ASP HB3 H 1 2.80 0.01 . 2 . . . . 80 ASP HB3 . 17973 1 928 . 1 1 80 80 ASP C C 13 175.27 0.00 . 1 . . . . 80 ASP C . 17973 1 929 . 1 1 80 80 ASP CA C 13 57.79 0.03 . 1 . . . . 80 ASP CA . 17973 1 930 . 1 1 80 80 ASP CB C 13 40.42 0.03 . 1 . . . . 80 ASP CB . 17973 1 931 . 1 1 80 80 ASP N N 15 121.71 0.02 . 1 . . . . 80 ASP N . 17973 1 932 . 1 1 81 81 LYS H H 1 7.55 0.00 . 1 . . . . 81 LYS H . 17973 1 933 . 1 1 81 81 LYS HA H 1 5.63 0.01 . 1 . . . . 81 LYS HA . 17973 1 934 . 1 1 81 81 LYS HB2 H 1 1.83 0.01 . 2 . . . . 81 LYS HB2 . 17973 1 935 . 1 1 81 81 LYS HB3 H 1 1.94 0.02 . 2 . . . . 81 LYS HB3 . 17973 1 936 . 1 1 81 81 LYS HG2 H 1 1.35 0.00 . 2 . . . . 81 LYS HG2 . 17973 1 937 . 1 1 81 81 LYS HG3 H 1 1.35 0.00 . 2 . . . . 81 LYS HG3 . 17973 1 938 . 1 1 81 81 LYS HD2 H 1 1.64 0.01 . 2 . . . . 81 LYS HD2 . 17973 1 939 . 1 1 81 81 LYS HD3 H 1 1.64 0.01 . 2 . . . . 81 LYS HD3 . 17973 1 940 . 1 1 81 81 LYS HE2 H 1 2.97 0.00 . 2 . . . . 81 LYS HE2 . 17973 1 941 . 1 1 81 81 LYS HE3 H 1 2.97 0.00 . 2 . . . . 81 LYS HE3 . 17973 1 942 . 1 1 81 81 LYS C C 13 175.90 0.00 . 1 . . . . 81 LYS C . 17973 1 943 . 1 1 81 81 LYS CA C 13 54.83 0.03 . 1 . . . . 81 LYS CA . 17973 1 944 . 1 1 81 81 LYS CB C 13 36.14 0.01 . 1 . . . . 81 LYS CB . 17973 1 945 . 1 1 81 81 LYS CG C 13 24.29 0.05 . 1 . . . . 81 LYS CG . 17973 1 946 . 1 1 81 81 LYS CD C 13 29.63 0.02 . 1 . . . . 81 LYS CD . 17973 1 947 . 1 1 81 81 LYS CE C 13 42.22 0.02 . 1 . . . . 81 LYS CE . 17973 1 948 . 1 1 81 81 LYS N N 15 114.43 0.03 . 1 . . . . 81 LYS N . 17973 1 949 . 1 1 82 82 ASN H H 1 7.96 0.00 . 1 . . . . 82 ASN H . 17973 1 950 . 1 1 82 82 ASN HA H 1 4.58 0.01 . 1 . . . . 82 ASN HA . 17973 1 951 . 1 1 82 82 ASN HB2 H 1 1.80 0.01 . 2 . . . . 82 ASN HB2 . 17973 1 952 . 1 1 82 82 ASN HB3 H 1 2.10 0.00 . 2 . . . . 82 ASN HB3 . 17973 1 953 . 1 1 82 82 ASN HD21 H 1 3.64 0.00 . 2 . . . . 82 ASN HD21 . 17973 1 954 . 1 1 82 82 ASN HD22 H 1 6.12 0.00 . 2 . . . . 82 ASN HD22 . 17973 1 955 . 1 1 82 82 ASN C C 13 173.41 0.00 . 1 . . . . 82 ASN C . 17973 1 956 . 1 1 82 82 ASN CA C 13 54.96 0.01 . 1 . . . . 82 ASN CA . 17973 1 957 . 1 1 82 82 ASN CB C 13 44.11 0.04 . 1 . . . . 82 ASN CB . 17973 1 958 . 1 1 82 82 ASN N N 15 116.15 0.02 . 1 . . . . 82 ASN N . 17973 1 959 . 1 1 82 82 ASN ND2 N 15 115.84 0.02 . 1 . . . . 82 ASN ND2 . 17973 1 960 . 1 1 83 83 THR H H 1 7.81 0.01 . 1 . . . . 83 THR H . 17973 1 961 . 1 1 83 83 THR HA H 1 4.57 0.01 . 1 . . . . 83 THR HA . 17973 1 962 . 1 1 83 83 THR HB H 1 2.48 0.01 . 1 . . . . 83 THR HB . 17973 1 963 . 1 1 83 83 THR HG21 H 1 0.81 0.05 . 1 . . . . 83 THR HG2 . 17973 1 964 . 1 1 83 83 THR HG22 H 1 0.81 0.05 . 1 . . . . 83 THR HG2 . 17973 1 965 . 1 1 83 83 THR HG23 H 1 0.81 0.05 . 1 . . . . 83 THR HG2 . 17973 1 966 . 1 1 83 83 THR C C 13 171.99 0.00 . 1 . . . . 83 THR C . 17973 1 967 . 1 1 83 83 THR CA C 13 62.69 0.06 . 1 . . . . 83 THR CA . 17973 1 968 . 1 1 83 83 THR CB C 13 69.55 0.05 . 1 . . . . 83 THR CB . 17973 1 969 . 1 1 83 83 THR N N 15 122.40 0.04 . 1 . . . . 83 THR N . 17973 1 970 . 1 1 84 84 PHE H H 1 9.34 0.01 . 1 . . . . 84 PHE H . 17973 1 971 . 1 1 84 84 PHE HA H 1 4.59 0.01 . 1 . . . . 84 PHE HA . 17973 1 972 . 1 1 84 84 PHE HB2 H 1 2.55 0.02 . 2 . . . . 84 PHE HB2 . 17973 1 973 . 1 1 84 84 PHE HB3 H 1 2.98 0.01 . 2 . . . . 84 PHE HB3 . 17973 1 974 . 1 1 84 84 PHE HD1 H 1 6.95 0.02 . 3 . . . . 84 PHE HD1 . 17973 1 975 . 1 1 84 84 PHE HD2 H 1 6.95 0.02 . 3 . . . . 84 PHE HD2 . 17973 1 976 . 1 1 84 84 PHE HE1 H 1 6.94 0.01 . 3 . . . . 84 PHE HE1 . 17973 1 977 . 1 1 84 84 PHE HE2 H 1 6.94 0.01 . 3 . . . . 84 PHE HE2 . 17973 1 978 . 1 1 84 84 PHE HZ H 1 6.44 0.03 . 1 . . . . 84 PHE HZ . 17973 1 979 . 1 1 84 84 PHE C C 13 173.73 0.00 . 1 . . . . 84 PHE C . 17973 1 980 . 1 1 84 84 PHE CA C 13 56.30 0.01 . 1 . . . . 84 PHE CA . 17973 1 981 . 1 1 84 84 PHE CB C 13 41.56 0.20 . 1 . . . . 84 PHE CB . 17973 1 982 . 1 1 84 84 PHE CD1 C 13 132.40 0.55 . 3 . . . . 84 PHE CD1 . 17973 1 983 . 1 1 84 84 PHE CZ C 13 131.28 0.00 . 1 . . . . 84 PHE CZ . 17973 1 984 . 1 1 84 84 PHE N N 15 125.70 0.02 . 1 . . . . 84 PHE N . 17973 1 985 . 1 1 85 85 ILE H H 1 9.45 0.00 . 1 . . . . 85 ILE H . 17973 1 986 . 1 1 85 85 ILE HA H 1 4.32 0.02 . 1 . . . . 85 ILE HA . 17973 1 987 . 1 1 85 85 ILE HB H 1 1.84 0.01 . 1 . . . . 85 ILE HB . 17973 1 988 . 1 1 85 85 ILE HG12 H 1 0.11 0.00 . 2 . . . . 85 ILE HG12 . 17973 1 989 . 1 1 85 85 ILE HG13 H 1 1.14 0.00 . 2 . . . . 85 ILE HG13 . 17973 1 990 . 1 1 85 85 ILE HG21 H 1 0.86 0.00 . 1 . . . . 85 ILE HG2 . 17973 1 991 . 1 1 85 85 ILE HG22 H 1 0.86 0.00 . 1 . . . . 85 ILE HG2 . 17973 1 992 . 1 1 85 85 ILE HG23 H 1 0.86 0.00 . 1 . . . . 85 ILE HG2 . 17973 1 993 . 1 1 85 85 ILE HD11 H 1 0.42 0.00 . 1 . . . . 85 ILE HD1 . 17973 1 994 . 1 1 85 85 ILE HD12 H 1 0.42 0.00 . 1 . . . . 85 ILE HD1 . 17973 1 995 . 1 1 85 85 ILE HD13 H 1 0.42 0.00 . 1 . . . . 85 ILE HD1 . 17973 1 996 . 1 1 85 85 ILE C C 13 175.67 0.00 . 1 . . . . 85 ILE C . 17973 1 997 . 1 1 85 85 ILE CA C 13 60.83 0.04 . 1 . . . . 85 ILE CA . 17973 1 998 . 1 1 85 85 ILE CB C 13 40.66 0.03 . 1 . . . . 85 ILE CB . 17973 1 999 . 1 1 85 85 ILE CG1 C 13 26.16 0.05 . 1 . . . . 85 ILE CG1 . 17973 1 1000 . 1 1 85 85 ILE CG2 C 13 18.95 0.06 . 1 . . . . 85 ILE CG2 . 17973 1 1001 . 1 1 85 85 ILE CD1 C 13 15.97 0.04 . 1 . . . . 85 ILE CD1 . 17973 1 1002 . 1 1 85 85 ILE N N 15 122.98 0.01 . 1 . . . . 85 ILE N . 17973 1 1003 . 1 1 86 86 TYR H H 1 8.99 0.02 . 1 . . . . 86 TYR H . 17973 1 1004 . 1 1 86 86 TYR HA H 1 5.46 0.01 . 1 . . . . 86 TYR HA . 17973 1 1005 . 1 1 86 86 TYR HB2 H 1 2.66 0.01 . 2 . . . . 86 TYR HB2 . 17973 1 1006 . 1 1 86 86 TYR HB3 H 1 3.20 0.02 . 2 . . . . 86 TYR HB3 . 17973 1 1007 . 1 1 86 86 TYR HD1 H 1 6.98 0.02 . 3 . . . . 86 TYR HD1 . 17973 1 1008 . 1 1 86 86 TYR HD2 H 1 6.98 0.02 . 3 . . . . 86 TYR HD2 . 17973 1 1009 . 1 1 86 86 TYR HE1 H 1 6.72 0.02 . 3 . . . . 86 TYR HE1 . 17973 1 1010 . 1 1 86 86 TYR HE2 H 1 6.72 0.02 . 3 . . . . 86 TYR HE2 . 17973 1 1011 . 1 1 86 86 TYR C C 13 173.42 0.00 . 1 . . . . 86 TYR C . 17973 1 1012 . 1 1 86 86 TYR CA C 13 55.28 0.12 . 1 . . . . 86 TYR CA . 17973 1 1013 . 1 1 86 86 TYR CB C 13 37.32 0.07 . 1 . . . . 86 TYR CB . 17973 1 1014 . 1 1 86 86 TYR CD1 C 13 133.00 0.04 . 3 . . . . 86 TYR CD1 . 17973 1 1015 . 1 1 86 86 TYR CE1 C 13 118.40 0.05 . 3 . . . . 86 TYR CE1 . 17973 1 1016 . 1 1 86 86 TYR N N 15 129.33 0.03 . 1 . . . . 86 TYR N . 17973 1 1017 . 1 1 87 87 SER H H 1 7.73 0.00 . 1 . . . . 87 SER H . 17973 1 1018 . 1 1 87 87 SER HA H 1 4.39 0.01 . 1 . . . . 87 SER HA . 17973 1 1019 . 1 1 87 87 SER HB2 H 1 3.23 0.00 . 2 . . . . 87 SER HB2 . 17973 1 1020 . 1 1 87 87 SER HB3 H 1 3.23 0.00 . 2 . . . . 87 SER HB3 . 17973 1 1021 . 1 1 87 87 SER C C 13 174.10 0.00 . 1 . . . . 87 SER C . 17973 1 1022 . 1 1 87 87 SER CA C 13 57.16 0.03 . 1 . . . . 87 SER CA . 17973 1 1023 . 1 1 87 87 SER CB C 13 65.17 0.03 . 1 . . . . 87 SER CB . 17973 1 1024 . 1 1 87 87 SER N N 15 121.04 0.03 . 1 . . . . 87 SER N . 17973 1 1025 . 1 1 88 88 ARG H H 1 8.45 0.00 . 1 . . . . 88 ARG H . 17973 1 1026 . 1 1 88 88 ARG HA H 1 4.76 0.02 . 1 . . . . 88 ARG HA . 17973 1 1027 . 1 1 88 88 ARG HB2 H 1 1.73 0.01 . 2 . . . . 88 ARG HB2 . 17973 1 1028 . 1 1 88 88 ARG HB3 H 1 2.44 0.00 . 2 . . . . 88 ARG HB3 . 17973 1 1029 . 1 1 88 88 ARG HG2 H 1 1.90 0.01 . 2 . . . . 88 ARG HG2 . 17973 1 1030 . 1 1 88 88 ARG HG3 H 1 1.90 0.01 . 2 . . . . 88 ARG HG3 . 17973 1 1031 . 1 1 88 88 ARG HD2 H 1 3.34 0.00 . 2 . . . . 88 ARG HD2 . 17973 1 1032 . 1 1 88 88 ARG HD3 H 1 3.41 0.00 . 2 . . . . 88 ARG HD3 . 17973 1 1033 . 1 1 88 88 ARG CA C 13 56.21 0.01 . 1 . . . . 88 ARG CA . 17973 1 1034 . 1 1 88 88 ARG CB C 13 28.83 0.06 . 1 . . . . 88 ARG CB . 17973 1 1035 . 1 1 88 88 ARG CG C 13 27.93 0.05 . 1 . . . . 88 ARG CG . 17973 1 1036 . 1 1 88 88 ARG CD C 13 43.03 0.04 . 1 . . . . 88 ARG CD . 17973 1 1037 . 1 1 88 88 ARG N N 15 123.53 0.02 . 1 . . . . 88 ARG N . 17973 1 1038 . 1 1 89 89 PRO HA H 1 4.48 0.01 . 1 . . . . 89 PRO HA . 17973 1 1039 . 1 1 89 89 PRO HB2 H 1 2.34 0.01 . 2 . . . . 89 PRO HB2 . 17973 1 1040 . 1 1 89 89 PRO HB3 H 1 2.50 0.01 . 2 . . . . 89 PRO HB3 . 17973 1 1041 . 1 1 89 89 PRO HG2 H 1 2.16 0.01 . 2 . . . . 89 PRO HG2 . 17973 1 1042 . 1 1 89 89 PRO HG3 H 1 2.33 0.00 . 2 . . . . 89 PRO HG3 . 17973 1 1043 . 1 1 89 89 PRO HD2 H 1 3.95 0.01 . 2 . . . . 89 PRO HD2 . 17973 1 1044 . 1 1 89 89 PRO HD3 H 1 4.00 0.02 . 2 . . . . 89 PRO HD3 . 17973 1 1045 . 1 1 89 89 PRO C C 13 178.49 0.00 . 1 . . . . 89 PRO C . 17973 1 1046 . 1 1 89 89 PRO CA C 13 66.15 0.09 . 1 . . . . 89 PRO CA . 17973 1 1047 . 1 1 89 89 PRO CB C 13 32.34 0.07 . 1 . . . . 89 PRO CB . 17973 1 1048 . 1 1 89 89 PRO CG C 13 28.31 0.02 . 1 . . . . 89 PRO CG . 17973 1 1049 . 1 1 89 89 PRO CD C 13 50.37 0.04 . 1 . . . . 89 PRO CD . 17973 1 1050 . 1 1 90 90 GLU H H 1 9.42 0.00 . 1 . . . . 90 GLU H . 17973 1 1051 . 1 1 90 90 GLU HA H 1 4.24 0.01 . 1 . . . . 90 GLU HA . 17973 1 1052 . 1 1 90 90 GLU HB2 H 1 2.03 0.01 . 2 . . . . 90 GLU HB2 . 17973 1 1053 . 1 1 90 90 GLU HB3 H 1 2.36 0.01 . 2 . . . . 90 GLU HB3 . 17973 1 1054 . 1 1 90 90 GLU HG2 H 1 2.43 0.01 . 2 . . . . 90 GLU HG2 . 17973 1 1055 . 1 1 90 90 GLU HG3 H 1 2.67 0.01 . 2 . . . . 90 GLU HG3 . 17973 1 1056 . 1 1 90 90 GLU CA C 13 63.59 0.08 . 1 . . . . 90 GLU CA . 17973 1 1057 . 1 1 90 90 GLU CB C 13 25.55 0.07 . 1 . . . . 90 GLU CB . 17973 1 1058 . 1 1 90 90 GLU CG C 13 37.34 0.02 . 1 . . . . 90 GLU CG . 17973 1 1059 . 1 1 90 90 GLU N N 15 118.42 0.01 . 1 . . . . 90 GLU N . 17973 1 1060 . 1 1 91 91 PRO HA H 1 4.49 0.01 . 1 . . . . 91 PRO HA . 17973 1 1061 . 1 1 91 91 PRO HB2 H 1 1.93 0.00 . 2 . . . . 91 PRO HB2 . 17973 1 1062 . 1 1 91 91 PRO HB3 H 1 2.50 0.00 . 2 . . . . 91 PRO HB3 . 17973 1 1063 . 1 1 91 91 PRO HG2 H 1 2.11 0.01 . 2 . . . . 91 PRO HG2 . 17973 1 1064 . 1 1 91 91 PRO HG3 H 1 2.15 0.00 . 2 . . . . 91 PRO HG3 . 17973 1 1065 . 1 1 91 91 PRO HD2 H 1 3.73 0.01 . 2 . . . . 91 PRO HD2 . 17973 1 1066 . 1 1 91 91 PRO HD3 H 1 3.99 0.01 . 2 . . . . 91 PRO HD3 . 17973 1 1067 . 1 1 91 91 PRO C C 13 178.38 0.00 . 1 . . . . 91 PRO C . 17973 1 1068 . 1 1 91 91 PRO CA C 13 65.34 0.04 . 1 . . . . 91 PRO CA . 17973 1 1069 . 1 1 91 91 PRO CB C 13 31.64 0.06 . 1 . . . . 91 PRO CB . 17973 1 1070 . 1 1 91 91 PRO CG C 13 28.09 0.01 . 1 . . . . 91 PRO CG . 17973 1 1071 . 1 1 91 91 PRO CD C 13 50.08 0.02 . 1 . . . . 91 PRO CD . 17973 1 1072 . 1 1 92 92 VAL H H 1 6.91 0.00 . 1 . . . . 92 VAL H . 17973 1 1073 . 1 1 92 92 VAL HA H 1 3.93 0.01 . 1 . . . . 92 VAL HA . 17973 1 1074 . 1 1 92 92 VAL HB H 1 2.63 0.01 . 1 . . . . 92 VAL HB . 17973 1 1075 . 1 1 92 92 VAL HG11 H 1 1.23 0.02 . 1 . . . . 92 VAL HG1 . 17973 1 1076 . 1 1 92 92 VAL HG12 H 1 1.23 0.02 . 1 . . . . 92 VAL HG1 . 17973 1 1077 . 1 1 92 92 VAL HG13 H 1 1.23 0.02 . 1 . . . . 92 VAL HG1 . 17973 1 1078 . 1 1 92 92 VAL HG21 H 1 1.28 0.00 . 1 . . . . 92 VAL HG2 . 17973 1 1079 . 1 1 92 92 VAL HG22 H 1 1.28 0.00 . 1 . . . . 92 VAL HG2 . 17973 1 1080 . 1 1 92 92 VAL HG23 H 1 1.28 0.00 . 1 . . . . 92 VAL HG2 . 17973 1 1081 . 1 1 92 92 VAL C C 13 176.71 0.00 . 1 . . . . 92 VAL C . 17973 1 1082 . 1 1 92 92 VAL CA C 13 64.98 0.05 . 1 . . . . 92 VAL CA . 17973 1 1083 . 1 1 92 92 VAL CB C 13 31.81 0.07 . 1 . . . . 92 VAL CB . 17973 1 1084 . 1 1 92 92 VAL CG1 C 13 23.12 0.03 . 2 . . . . 92 VAL CG1 . 17973 1 1085 . 1 1 92 92 VAL CG2 C 13 22.88 0.06 . 2 . . . . 92 VAL CG2 . 17973 1 1086 . 1 1 92 92 VAL N N 15 115.94 0.05 . 1 . . . . 92 VAL N . 17973 1 1087 . 1 1 93 93 LYS H H 1 8.47 0.00 . 1 . . . . 93 LYS H . 17973 1 1088 . 1 1 93 93 LYS HA H 1 2.92 0.02 . 1 . . . . 93 LYS HA . 17973 1 1089 . 1 1 93 93 LYS HB2 H 1 1.53 0.00 . 2 . . . . 93 LYS HB2 . 17973 1 1090 . 1 1 93 93 LYS HB3 H 1 1.62 0.01 . 2 . . . . 93 LYS HB3 . 17973 1 1091 . 1 1 93 93 LYS HG2 H 1 -0.09 0.02 . 2 . . . . 93 LYS HG2 . 17973 1 1092 . 1 1 93 93 LYS HG3 H 1 1.17 0.02 . 2 . . . . 93 LYS HG3 . 17973 1 1093 . 1 1 93 93 LYS HD2 H 1 1.18 0.02 . 2 . . . . 93 LYS HD2 . 17973 1 1094 . 1 1 93 93 LYS HD3 H 1 1.26 0.01 . 2 . . . . 93 LYS HD3 . 17973 1 1095 . 1 1 93 93 LYS HE2 H 1 2.28 0.02 . 2 . . . . 93 LYS HE2 . 17973 1 1096 . 1 1 93 93 LYS HE3 H 1 2.43 0.01 . 2 . . . . 93 LYS HE3 . 17973 1 1097 . 1 1 93 93 LYS HZ1 H 1 7.38 0.00 . 1 . . . . 93 LYS HZ . 17973 1 1098 . 1 1 93 93 LYS HZ2 H 1 7.38 0.00 . 1 . . . . 93 LYS HZ . 17973 1 1099 . 1 1 93 93 LYS HZ3 H 1 7.38 0.00 . 1 . . . . 93 LYS HZ . 17973 1 1100 . 1 1 93 93 LYS C C 13 179.62 0.00 . 1 . . . . 93 LYS C . 17973 1 1101 . 1 1 93 93 LYS CA C 13 59.24 0.03 . 1 . . . . 93 LYS CA . 17973 1 1102 . 1 1 93 93 LYS CB C 13 32.31 0.06 . 1 . . . . 93 LYS CB . 17973 1 1103 . 1 1 93 93 LYS CG C 13 25.75 0.06 . 1 . . . . 93 LYS CG . 17973 1 1104 . 1 1 93 93 LYS CD C 13 29.16 0.04 . 1 . . . . 93 LYS CD . 17973 1 1105 . 1 1 93 93 LYS CE C 13 42.15 0.03 . 1 . . . . 93 LYS CE . 17973 1 1106 . 1 1 93 93 LYS N N 15 121.42 0.03 . 1 . . . . 93 LYS N . 17973 1 1107 . 1 1 94 94 ALA H H 1 7.74 0.00 . 1 . . . . 94 ALA H . 17973 1 1108 . 1 1 94 94 ALA HA H 1 3.93 0.01 . 1 . . . . 94 ALA HA . 17973 1 1109 . 1 1 94 94 ALA HB1 H 1 1.48 0.02 . 1 . . . . 94 ALA HB . 17973 1 1110 . 1 1 94 94 ALA HB2 H 1 1.48 0.02 . 1 . . . . 94 ALA HB . 17973 1 1111 . 1 1 94 94 ALA HB3 H 1 1.48 0.02 . 1 . . . . 94 ALA HB . 17973 1 1112 . 1 1 94 94 ALA C C 13 179.03 0.00 . 1 . . . . 94 ALA C . 17973 1 1113 . 1 1 94 94 ALA CA C 13 54.18 0.06 . 1 . . . . 94 ALA CA . 17973 1 1114 . 1 1 94 94 ALA CB C 13 18.34 0.07 . 1 . . . . 94 ALA CB . 17973 1 1115 . 1 1 94 94 ALA N N 15 115.82 0.02 . 1 . . . . 94 ALA N . 17973 1 1116 . 1 1 95 95 ILE H H 1 7.42 0.01 . 1 . . . . 95 ILE H . 17973 1 1117 . 1 1 95 95 ILE HA H 1 3.71 0.02 . 1 . . . . 95 ILE HA . 17973 1 1118 . 1 1 95 95 ILE HB H 1 1.77 0.01 . 1 . . . . 95 ILE HB . 17973 1 1119 . 1 1 95 95 ILE HG12 H 1 1.28 0.00 . 2 . . . . 95 ILE HG12 . 17973 1 1120 . 1 1 95 95 ILE HG13 H 1 1.84 0.01 . 2 . . . . 95 ILE HG13 . 17973 1 1121 . 1 1 95 95 ILE HG21 H 1 0.69 0.00 . 1 . . . . 95 ILE HG2 . 17973 1 1122 . 1 1 95 95 ILE HG22 H 1 0.69 0.00 . 1 . . . . 95 ILE HG2 . 17973 1 1123 . 1 1 95 95 ILE HG23 H 1 0.69 0.00 . 1 . . . . 95 ILE HG2 . 17973 1 1124 . 1 1 95 95 ILE HD11 H 1 0.80 0.01 . 1 . . . . 95 ILE HD1 . 17973 1 1125 . 1 1 95 95 ILE HD12 H 1 0.80 0.01 . 1 . . . . 95 ILE HD1 . 17973 1 1126 . 1 1 95 95 ILE HD13 H 1 0.80 0.01 . 1 . . . . 95 ILE HD1 . 17973 1 1127 . 1 1 95 95 ILE C C 13 177.24 0.00 . 1 . . . . 95 ILE C . 17973 1 1128 . 1 1 95 95 ILE CA C 13 64.44 0.03 . 1 . . . . 95 ILE CA . 17973 1 1129 . 1 1 95 95 ILE CB C 13 38.43 0.06 . 1 . . . . 95 ILE CB . 17973 1 1130 . 1 1 95 95 ILE CG1 C 13 27.46 0.06 . 1 . . . . 95 ILE CG1 . 17973 1 1131 . 1 1 95 95 ILE CG2 C 13 17.02 0.01 . 1 . . . . 95 ILE CG2 . 17973 1 1132 . 1 1 95 95 ILE CD1 C 13 15.62 0.04 . 1 . . . . 95 ILE CD1 . 17973 1 1133 . 1 1 95 95 ILE N N 15 119.56 0.01 . 1 . . . . 95 ILE N . 17973 1 1134 . 1 1 96 96 CYS H H 1 7.15 0.00 . 1 . . . . 96 CYS H . 17973 1 1135 . 1 1 96 96 CYS HA H 1 4.72 0.00 . 1 . . . . 96 CYS HA . 17973 1 1136 . 1 1 96 96 CYS HB2 H 1 1.86 0.01 . 2 . . . . 96 CYS HB2 . 17973 1 1137 . 1 1 96 96 CYS HB3 H 1 2.99 0.01 . 2 . . . . 96 CYS HB3 . 17973 1 1138 . 1 1 96 96 CYS C C 13 174.34 0.00 . 1 . . . . 96 CYS C . 17973 1 1139 . 1 1 96 96 CYS CA C 13 51.60 0.05 . 1 . . . . 96 CYS CA . 17973 1 1140 . 1 1 96 96 CYS CB C 13 36.30 0.08 . 1 . . . . 96 CYS CB . 17973 1 1141 . 1 1 96 96 CYS N N 15 111.73 0.02 . 1 . . . . 96 CYS N . 17973 1 1142 . 1 1 97 97 LYS H H 1 7.31 0.00 . 1 . . . . 97 LYS H . 17973 1 1143 . 1 1 97 97 LYS HA H 1 3.90 0.02 . 1 . . . . 97 LYS HA . 17973 1 1144 . 1 1 97 97 LYS HB2 H 1 1.77 0.02 . 2 . . . . 97 LYS HB2 . 17973 1 1145 . 1 1 97 97 LYS HB3 H 1 1.84 0.01 . 2 . . . . 97 LYS HB3 . 17973 1 1146 . 1 1 97 97 LYS HG2 H 1 1.39 0.01 . 2 . . . . 97 LYS HG2 . 17973 1 1147 . 1 1 97 97 LYS HG3 H 1 1.44 0.01 . 2 . . . . 97 LYS HG3 . 17973 1 1148 . 1 1 97 97 LYS HD2 H 1 1.66 0.01 . 2 . . . . 97 LYS HD2 . 17973 1 1149 . 1 1 97 97 LYS HD3 H 1 1.71 0.01 . 2 . . . . 97 LYS HD3 . 17973 1 1150 . 1 1 97 97 LYS HE2 H 1 2.98 0.00 . 2 . . . . 97 LYS HE2 . 17973 1 1151 . 1 1 97 97 LYS HE3 H 1 2.98 0.00 . 2 . . . . 97 LYS HE3 . 17973 1 1152 . 1 1 97 97 LYS C C 13 177.76 0.00 . 1 . . . . 97 LYS C . 17973 1 1153 . 1 1 97 97 LYS CA C 13 59.35 0.05 . 1 . . . . 97 LYS CA . 17973 1 1154 . 1 1 97 97 LYS CB C 13 32.11 0.10 . 1 . . . . 97 LYS CB . 17973 1 1155 . 1 1 97 97 LYS CG C 13 24.48 0.02 . 1 . . . . 97 LYS CG . 17973 1 1156 . 1 1 97 97 LYS CD C 13 29.55 0.02 . 1 . . . . 97 LYS CD . 17973 1 1157 . 1 1 97 97 LYS CE C 13 42.18 0.08 . 1 . . . . 97 LYS CE . 17973 1 1158 . 1 1 97 97 LYS N N 15 123.82 0.02 . 1 . . . . 97 LYS N . 17973 1 1159 . 1 1 98 98 GLY H H 1 9.16 0.00 . 1 . . . . 98 GLY H . 17973 1 1160 . 1 1 98 98 GLY HA2 H 1 3.52 0.00 . 2 . . . . 98 GLY HA2 . 17973 1 1161 . 1 1 98 98 GLY HA3 H 1 4.14 0.00 . 2 . . . . 98 GLY HA3 . 17973 1 1162 . 1 1 98 98 GLY C C 13 172.44 0.00 . 1 . . . . 98 GLY C . 17973 1 1163 . 1 1 98 98 GLY CA C 13 45.29 0.03 . 1 . . . . 98 GLY CA . 17973 1 1164 . 1 1 98 98 GLY N N 15 114.01 0.03 . 1 . . . . 98 GLY N . 17973 1 1165 . 1 1 99 99 ILE H H 1 7.82 0.01 . 1 . . . . 99 ILE H . 17973 1 1166 . 1 1 99 99 ILE HA H 1 4.01 0.01 . 1 . . . . 99 ILE HA . 17973 1 1167 . 1 1 99 99 ILE HB H 1 1.79 0.01 . 1 . . . . 99 ILE HB . 17973 1 1168 . 1 1 99 99 ILE HG12 H 1 0.99 0.02 . 2 . . . . 99 ILE HG12 . 17973 1 1169 . 1 1 99 99 ILE HG13 H 1 1.28 0.01 . 2 . . . . 99 ILE HG13 . 17973 1 1170 . 1 1 99 99 ILE HG21 H 1 0.78 0.01 . 1 . . . . 99 ILE HG2 . 17973 1 1171 . 1 1 99 99 ILE HG22 H 1 0.78 0.01 . 1 . . . . 99 ILE HG2 . 17973 1 1172 . 1 1 99 99 ILE HG23 H 1 0.78 0.01 . 1 . . . . 99 ILE HG2 . 17973 1 1173 . 1 1 99 99 ILE HD11 H 1 0.77 0.01 . 1 . . . . 99 ILE HD1 . 17973 1 1174 . 1 1 99 99 ILE HD12 H 1 0.77 0.01 . 1 . . . . 99 ILE HD1 . 17973 1 1175 . 1 1 99 99 ILE HD13 H 1 0.77 0.01 . 1 . . . . 99 ILE HD1 . 17973 1 1176 . 1 1 99 99 ILE C C 13 173.81 0.00 . 1 . . . . 99 ILE C . 17973 1 1177 . 1 1 99 99 ILE CA C 13 60.94 0.04 . 1 . . . . 99 ILE CA . 17973 1 1178 . 1 1 99 99 ILE CB C 13 36.33 0.03 . 1 . . . . 99 ILE CB . 17973 1 1179 . 1 1 99 99 ILE CG1 C 13 26.69 0.05 . 1 . . . . 99 ILE CG1 . 17973 1 1180 . 1 1 99 99 ILE CG2 C 13 18.33 0.36 . 1 . . . . 99 ILE CG2 . 17973 1 1181 . 1 1 99 99 ILE CD1 C 13 12.41 0.03 . 1 . . . . 99 ILE CD1 . 17973 1 1182 . 1 1 99 99 ILE N N 15 122.34 0.03 . 1 . . . . 99 ILE N . 17973 1 1183 . 1 1 100 100 ILE H H 1 8.24 0.00 . 1 . . . . 100 ILE H . 17973 1 1184 . 1 1 100 100 ILE HA H 1 3.84 0.01 . 1 . . . . 100 ILE HA . 17973 1 1185 . 1 1 100 100 ILE HB H 1 1.95 0.01 . 1 . . . . 100 ILE HB . 17973 1 1186 . 1 1 100 100 ILE HG12 H 1 1.19 0.00 . 2 . . . . 100 ILE HG12 . 17973 1 1187 . 1 1 100 100 ILE HG13 H 1 1.41 0.00 . 2 . . . . 100 ILE HG13 . 17973 1 1188 . 1 1 100 100 ILE HG21 H 1 0.97 0.00 . 1 . . . . 100 ILE HG2 . 17973 1 1189 . 1 1 100 100 ILE HG22 H 1 0.97 0.00 . 1 . . . . 100 ILE HG2 . 17973 1 1190 . 1 1 100 100 ILE HG23 H 1 0.97 0.00 . 1 . . . . 100 ILE HG2 . 17973 1 1191 . 1 1 100 100 ILE HD11 H 1 0.76 0.00 . 1 . . . . 100 ILE HD1 . 17973 1 1192 . 1 1 100 100 ILE HD12 H 1 0.76 0.00 . 1 . . . . 100 ILE HD1 . 17973 1 1193 . 1 1 100 100 ILE HD13 H 1 0.76 0.00 . 1 . . . . 100 ILE HD1 . 17973 1 1194 . 1 1 100 100 ILE C C 13 176.61 0.00 . 1 . . . . 100 ILE C . 17973 1 1195 . 1 1 100 100 ILE CA C 13 63.40 0.03 . 1 . . . . 100 ILE CA . 17973 1 1196 . 1 1 100 100 ILE CB C 13 37.78 0.07 . 1 . . . . 100 ILE CB . 17973 1 1197 . 1 1 100 100 ILE CG1 C 13 28.40 0.16 . 1 . . . . 100 ILE CG1 . 17973 1 1198 . 1 1 100 100 ILE CG2 C 13 17.46 0.01 . 1 . . . . 100 ILE CG2 . 17973 1 1199 . 1 1 100 100 ILE CD1 C 13 11.70 0.00 . 1 . . . . 100 ILE CD1 . 17973 1 1200 . 1 1 100 100 ILE N N 15 128.11 0.04 . 1 . . . . 100 ILE N . 17973 1 1201 . 1 1 101 101 ALA H H 1 7.74 0.00 . 1 . . . . 101 ALA H . 17973 1 1202 . 1 1 101 101 ALA HA H 1 4.36 0.01 . 1 . . . . 101 ALA HA . 17973 1 1203 . 1 1 101 101 ALA HB1 H 1 1.42 0.01 . 1 . . . . 101 ALA HB . 17973 1 1204 . 1 1 101 101 ALA HB2 H 1 1.42 0.01 . 1 . . . . 101 ALA HB . 17973 1 1205 . 1 1 101 101 ALA HB3 H 1 1.42 0.01 . 1 . . . . 101 ALA HB . 17973 1 1206 . 1 1 101 101 ALA C C 13 176.68 0.00 . 1 . . . . 101 ALA C . 17973 1 1207 . 1 1 101 101 ALA CA C 13 52.03 0.03 . 1 . . . . 101 ALA CA . 17973 1 1208 . 1 1 101 101 ALA CB C 13 18.66 0.08 . 1 . . . . 101 ALA CB . 17973 1 1209 . 1 1 101 101 ALA N N 15 123.50 0.03 . 1 . . . . 101 ALA N . 17973 1 1210 . 1 1 102 102 SER H H 1 7.97 0.00 . 1 . . . . 102 SER H . 17973 1 1211 . 1 1 102 102 SER HA H 1 5.01 0.01 . 1 . . . . 102 SER HA . 17973 1 1212 . 1 1 102 102 SER HB2 H 1 3.65 0.01 . 2 . . . . 102 SER HB2 . 17973 1 1213 . 1 1 102 102 SER HB3 H 1 3.65 0.01 . 2 . . . . 102 SER HB3 . 17973 1 1214 . 1 1 102 102 SER C C 13 175.74 0.00 . 1 . . . . 102 SER C . 17973 1 1215 . 1 1 102 102 SER CA C 13 58.68 0.07 . 1 . . . . 102 SER CA . 17973 1 1216 . 1 1 102 102 SER CB C 13 63.57 0.06 . 1 . . . . 102 SER CB . 17973 1 1217 . 1 1 102 102 SER N N 15 112.95 0.05 . 1 . . . . 102 SER N . 17973 1 1218 . 1 1 103 103 LYS H H 1 8.34 0.00 . 1 . . . . 103 LYS H . 17973 1 1219 . 1 1 103 103 LYS HA H 1 4.37 0.01 . 1 . . . . 103 LYS HA . 17973 1 1220 . 1 1 103 103 LYS HB2 H 1 1.58 0.01 . 2 . . . . 103 LYS HB2 . 17973 1 1221 . 1 1 103 103 LYS HB3 H 1 1.80 0.01 . 2 . . . . 103 LYS HB3 . 17973 1 1222 . 1 1 103 103 LYS HG2 H 1 1.36 0.00 . 2 . . . . 103 LYS HG2 . 17973 1 1223 . 1 1 103 103 LYS HG3 H 1 1.36 0.00 . 2 . . . . 103 LYS HG3 . 17973 1 1224 . 1 1 103 103 LYS HD2 H 1 1.59 0.02 . 2 . . . . 103 LYS HD2 . 17973 1 1225 . 1 1 103 103 LYS HD3 H 1 1.65 0.00 . 2 . . . . 103 LYS HD3 . 17973 1 1226 . 1 1 103 103 LYS HE2 H 1 2.97 0.01 . 2 . . . . 103 LYS HE2 . 17973 1 1227 . 1 1 103 103 LYS HE3 H 1 2.97 0.01 . 2 . . . . 103 LYS HE3 . 17973 1 1228 . 1 1 103 103 LYS C C 13 174.52 0.00 . 1 . . . . 103 LYS C . 17973 1 1229 . 1 1 103 103 LYS CA C 13 56.18 0.01 . 1 . . . . 103 LYS CA . 17973 1 1230 . 1 1 103 103 LYS CB C 13 36.03 0.01 . 1 . . . . 103 LYS CB . 17973 1 1231 . 1 1 103 103 LYS CG C 13 24.52 0.00 . 1 . . . . 103 LYS CG . 17973 1 1232 . 1 1 103 103 LYS CD C 13 29.65 0.01 . 1 . . . . 103 LYS CD . 17973 1 1233 . 1 1 103 103 LYS CE C 13 41.94 0.00 . 1 . . . . 103 LYS CE . 17973 1 1234 . 1 1 103 103 LYS N N 15 124.74 0.02 . 1 . . . . 103 LYS N . 17973 1 1235 . 1 1 104 104 ASN H H 1 8.68 0.00 . 1 . . . . 104 ASN H . 17973 1 1236 . 1 1 104 104 ASN HA H 1 5.80 0.00 . 1 . . . . 104 ASN HA . 17973 1 1237 . 1 1 104 104 ASN HB2 H 1 2.40 0.00 . 2 . . . . 104 ASN HB2 . 17973 1 1238 . 1 1 104 104 ASN HB3 H 1 2.77 0.00 . 2 . . . . 104 ASN HB3 . 17973 1 1239 . 1 1 104 104 ASN HD21 H 1 6.82 0.00 . 2 . . . . 104 ASN HD21 . 17973 1 1240 . 1 1 104 104 ASN HD22 H 1 7.50 0.00 . 2 . . . . 104 ASN HD22 . 17973 1 1241 . 1 1 104 104 ASN C C 13 175.18 0.00 . 1 . . . . 104 ASN C . 17973 1 1242 . 1 1 104 104 ASN CA C 13 52.15 0.03 . 1 . . . . 104 ASN CA . 17973 1 1243 . 1 1 104 104 ASN CB C 13 37.41 0.04 . 1 . . . . 104 ASN CB . 17973 1 1244 . 1 1 104 104 ASN N N 15 125.81 0.02 . 1 . . . . 104 ASN N . 17973 1 1245 . 1 1 104 104 ASN ND2 N 15 110.28 0.03 . 1 . . . . 104 ASN ND2 . 17973 1 1246 . 1 1 105 105 VAL H H 1 9.41 0.00 . 1 . . . . 105 VAL H . 17973 1 1247 . 1 1 105 105 VAL HA H 1 4.15 0.01 . 1 . . . . 105 VAL HA . 17973 1 1248 . 1 1 105 105 VAL HB H 1 1.81 0.01 . 1 . . . . 105 VAL HB . 17973 1 1249 . 1 1 105 105 VAL HG11 H 1 0.72 0.01 . 1 . . . . 105 VAL HG1 . 17973 1 1250 . 1 1 105 105 VAL HG12 H 1 0.72 0.01 . 1 . . . . 105 VAL HG1 . 17973 1 1251 . 1 1 105 105 VAL HG13 H 1 0.72 0.01 . 1 . . . . 105 VAL HG1 . 17973 1 1252 . 1 1 105 105 VAL HG21 H 1 0.78 0.01 . 1 . . . . 105 VAL HG2 . 17973 1 1253 . 1 1 105 105 VAL HG22 H 1 0.78 0.01 . 1 . . . . 105 VAL HG2 . 17973 1 1254 . 1 1 105 105 VAL HG23 H 1 0.78 0.01 . 1 . . . . 105 VAL HG2 . 17973 1 1255 . 1 1 105 105 VAL C C 13 172.59 0.00 . 1 . . . . 105 VAL C . 17973 1 1256 . 1 1 105 105 VAL CA C 13 61.63 0.04 . 1 . . . . 105 VAL CA . 17973 1 1257 . 1 1 105 105 VAL CB C 13 36.10 0.06 . 1 . . . . 105 VAL CB . 17973 1 1258 . 1 1 105 105 VAL CG1 C 13 21.36 0.03 . 2 . . . . 105 VAL CG1 . 17973 1 1259 . 1 1 105 105 VAL CG2 C 13 21.81 0.04 . 2 . . . . 105 VAL CG2 . 17973 1 1260 . 1 1 105 105 VAL N N 15 124.81 0.01 . 1 . . . . 105 VAL N . 17973 1 1261 . 1 1 106 106 LEU H H 1 8.12 0.00 . 1 . . . . 106 LEU H . 17973 1 1262 . 1 1 106 106 LEU HA H 1 4.65 0.00 . 1 . . . . 106 LEU HA . 17973 1 1263 . 1 1 106 106 LEU HB2 H 1 1.42 0.00 . 2 . . . . 106 LEU HB2 . 17973 1 1264 . 1 1 106 106 LEU HB3 H 1 1.74 0.01 . 2 . . . . 106 LEU HB3 . 17973 1 1265 . 1 1 106 106 LEU HG H 1 1.81 0.00 . 1 . . . . 106 LEU HG . 17973 1 1266 . 1 1 106 106 LEU HD11 H 1 0.47 0.00 . 1 . . . . 106 LEU HD1 . 17973 1 1267 . 1 1 106 106 LEU HD12 H 1 0.47 0.00 . 1 . . . . 106 LEU HD1 . 17973 1 1268 . 1 1 106 106 LEU HD13 H 1 0.47 0.00 . 1 . . . . 106 LEU HD1 . 17973 1 1269 . 1 1 106 106 LEU HD21 H 1 0.86 0.00 . 1 . . . . 106 LEU HD2 . 17973 1 1270 . 1 1 106 106 LEU HD22 H 1 0.86 0.00 . 1 . . . . 106 LEU HD2 . 17973 1 1271 . 1 1 106 106 LEU HD23 H 1 0.86 0.00 . 1 . . . . 106 LEU HD2 . 17973 1 1272 . 1 1 106 106 LEU C C 13 177.20 0.00 . 1 . . . . 106 LEU C . 17973 1 1273 . 1 1 106 106 LEU CA C 13 52.70 0.07 . 1 . . . . 106 LEU CA . 17973 1 1274 . 1 1 106 106 LEU CB C 13 43.86 0.03 . 1 . . . . 106 LEU CB . 17973 1 1275 . 1 1 106 106 LEU CG C 13 26.04 0.09 . 1 . . . . 106 LEU CG . 17973 1 1276 . 1 1 106 106 LEU CD1 C 13 23.17 0.03 . 2 . . . . 106 LEU CD1 . 17973 1 1277 . 1 1 106 106 LEU CD2 C 13 26.35 0.03 . 2 . . . . 106 LEU CD2 . 17973 1 1278 . 1 1 106 106 LEU N N 15 127.84 0.03 . 1 . . . . 106 LEU N . 17973 1 1279 . 1 1 107 107 THR H H 1 8.67 0.00 . 1 . . . . 107 THR H . 17973 1 1280 . 1 1 107 107 THR HA H 1 4.10 0.01 . 1 . . . . 107 THR HA . 17973 1 1281 . 1 1 107 107 THR HB H 1 4.65 0.02 . 1 . . . . 107 THR HB . 17973 1 1282 . 1 1 107 107 THR HG21 H 1 0.50 0.00 . 1 . . . . 107 THR HG2 . 17973 1 1283 . 1 1 107 107 THR HG22 H 1 0.50 0.00 . 1 . . . . 107 THR HG2 . 17973 1 1284 . 1 1 107 107 THR HG23 H 1 0.50 0.00 . 1 . . . . 107 THR HG2 . 17973 1 1285 . 1 1 107 107 THR C C 13 174.67 0.00 . 1 . . . . 107 THR C . 17973 1 1286 . 1 1 107 107 THR CA C 13 63.13 0.03 . 1 . . . . 107 THR CA . 17973 1 1287 . 1 1 107 107 THR CB C 13 69.82 0.06 . 1 . . . . 107 THR CB . 17973 1 1288 . 1 1 107 107 THR CG2 C 13 21.80 0.02 . 1 . . . . 107 THR CG2 . 17973 1 1289 . 1 1 107 107 THR N N 15 118.42 0.05 . 1 . . . . 107 THR N . 17973 1 1290 . 1 1 108 108 THR H H 1 8.51 0.00 . 1 . . . . 108 THR H . 17973 1 1291 . 1 1 108 108 THR HA H 1 4.24 0.02 . 1 . . . . 108 THR HA . 17973 1 1292 . 1 1 108 108 THR HB H 1 4.37 0.02 . 1 . . . . 108 THR HB . 17973 1 1293 . 1 1 108 108 THR HG21 H 1 1.30 0.00 . 1 . . . . 108 THR HG2 . 17973 1 1294 . 1 1 108 108 THR HG22 H 1 1.30 0.00 . 1 . . . . 108 THR HG2 . 17973 1 1295 . 1 1 108 108 THR HG23 H 1 1.30 0.00 . 1 . . . . 108 THR HG2 . 17973 1 1296 . 1 1 108 108 THR C C 13 175.12 0.00 . 1 . . . . 108 THR C . 17973 1 1297 . 1 1 108 108 THR CA C 13 63.02 0.06 . 1 . . . . 108 THR CA . 17973 1 1298 . 1 1 108 108 THR CB C 13 69.24 0.06 . 1 . . . . 108 THR CB . 17973 1 1299 . 1 1 108 108 THR CG2 C 13 22.19 0.06 . 1 . . . . 108 THR CG2 . 17973 1 1300 . 1 1 108 108 THR N N 15 111.59 0.03 . 1 . . . . 108 THR N . 17973 1 1301 . 1 1 109 109 SER H H 1 7.58 0.00 . 1 . . . . 109 SER H . 17973 1 1302 . 1 1 109 109 SER HA H 1 4.64 0.01 . 1 . . . . 109 SER HA . 17973 1 1303 . 1 1 109 109 SER HB2 H 1 3.68 0.02 . 2 . . . . 109 SER HB2 . 17973 1 1304 . 1 1 109 109 SER HB3 H 1 3.68 0.02 . 2 . . . . 109 SER HB3 . 17973 1 1305 . 1 1 109 109 SER C C 13 172.75 0.00 . 1 . . . . 109 SER C . 17973 1 1306 . 1 1 109 109 SER CA C 13 56.65 0.01 . 1 . . . . 109 SER CA . 17973 1 1307 . 1 1 109 109 SER CB C 13 65.44 0.06 . 1 . . . . 109 SER CB . 17973 1 1308 . 1 1 109 109 SER N N 15 114.39 0.02 . 1 . . . . 109 SER N . 17973 1 1309 . 1 1 110 110 GLU H H 1 8.40 0.00 . 1 . . . . 110 GLU H . 17973 1 1310 . 1 1 110 110 GLU HA H 1 4.18 0.03 . 1 . . . . 110 GLU HA . 17973 1 1311 . 1 1 110 110 GLU HB2 H 1 1.67 0.00 . 2 . . . . 110 GLU HB2 . 17973 1 1312 . 1 1 110 110 GLU HB3 H 1 1.78 0.01 . 2 . . . . 110 GLU HB3 . 17973 1 1313 . 1 1 110 110 GLU HG2 H 1 2.13 0.00 . 2 . . . . 110 GLU HG2 . 17973 1 1314 . 1 1 110 110 GLU HG3 H 1 2.24 0.01 . 2 . . . . 110 GLU HG3 . 17973 1 1315 . 1 1 110 110 GLU C C 13 175.64 0.00 . 1 . . . . 110 GLU C . 17973 1 1316 . 1 1 110 110 GLU CA C 13 56.31 0.02 . 1 . . . . 110 GLU CA . 17973 1 1317 . 1 1 110 110 GLU CB C 13 30.73 0.10 . 1 . . . . 110 GLU CB . 17973 1 1318 . 1 1 110 110 GLU CG C 13 36.76 0.03 . 1 . . . . 110 GLU CG . 17973 1 1319 . 1 1 110 110 GLU N N 15 119.35 0.03 . 1 . . . . 110 GLU N . 17973 1 1320 . 1 1 111 111 PHE H H 1 8.58 0.01 . 1 . . . . 111 PHE H . 17973 1 1321 . 1 1 111 111 PHE HA H 1 4.63 0.04 . 1 . . . . 111 PHE HA . 17973 1 1322 . 1 1 111 111 PHE HB2 H 1 3.03 0.01 . 2 . . . . 111 PHE HB2 . 17973 1 1323 . 1 1 111 111 PHE HB3 H 1 3.35 0.02 . 2 . . . . 111 PHE HB3 . 17973 1 1324 . 1 1 111 111 PHE HD1 H 1 7.48 0.03 . 3 . . . . 111 PHE HD1 . 17973 1 1325 . 1 1 111 111 PHE HD2 H 1 7.48 0.03 . 3 . . . . 111 PHE HD2 . 17973 1 1326 . 1 1 111 111 PHE HE1 H 1 7.23 0.02 . 3 . . . . 111 PHE HE1 . 17973 1 1327 . 1 1 111 111 PHE HE2 H 1 7.23 0.02 . 3 . . . . 111 PHE HE2 . 17973 1 1328 . 1 1 111 111 PHE HZ H 1 7.18 0.01 . 1 . . . . 111 PHE HZ . 17973 1 1329 . 1 1 111 111 PHE C C 13 174.37 0.00 . 1 . . . . 111 PHE C . 17973 1 1330 . 1 1 111 111 PHE CA C 13 56.55 0.02 . 1 . . . . 111 PHE CA . 17973 1 1331 . 1 1 111 111 PHE CB C 13 44.11 0.05 . 1 . . . . 111 PHE CB . 17973 1 1332 . 1 1 111 111 PHE CD1 C 13 133.08 0.04 . 3 . . . . 111 PHE CD1 . 17973 1 1333 . 1 1 111 111 PHE CE1 C 13 131.41 0.09 . 3 . . . . 111 PHE CE1 . 17973 1 1334 . 1 1 111 111 PHE CZ C 13 129.73 0.02 . 1 . . . . 111 PHE CZ . 17973 1 1335 . 1 1 111 111 PHE N N 15 121.25 0.04 . 1 . . . . 111 PHE N . 17973 1 1336 . 1 1 112 112 TYR H H 1 9.71 0.02 . 1 . . . . 112 TYR H . 17973 1 1337 . 1 1 112 112 TYR HA H 1 4.94 0.01 . 1 . . . . 112 TYR HA . 17973 1 1338 . 1 1 112 112 TYR HB2 H 1 3.03 0.01 . 2 . . . . 112 TYR HB2 . 17973 1 1339 . 1 1 112 112 TYR HB3 H 1 3.61 0.01 . 2 . . . . 112 TYR HB3 . 17973 1 1340 . 1 1 112 112 TYR HD1 H 1 7.43 0.02 . 3 . . . . 112 TYR HD1 . 17973 1 1341 . 1 1 112 112 TYR HD2 H 1 7.43 0.02 . 3 . . . . 112 TYR HD2 . 17973 1 1342 . 1 1 112 112 TYR HE1 H 1 6.96 0.02 . 3 . . . . 112 TYR HE1 . 17973 1 1343 . 1 1 112 112 TYR HE2 H 1 6.96 0.02 . 3 . . . . 112 TYR HE2 . 17973 1 1344 . 1 1 112 112 TYR C C 13 175.02 0.00 . 1 . . . . 112 TYR C . 17973 1 1345 . 1 1 112 112 TYR CA C 13 58.30 0.01 . 1 . . . . 112 TYR CA . 17973 1 1346 . 1 1 112 112 TYR CB C 13 38.12 0.10 . 1 . . . . 112 TYR CB . 17973 1 1347 . 1 1 112 112 TYR CD1 C 13 133.33 0.05 . 3 . . . . 112 TYR CD1 . 17973 1 1348 . 1 1 112 112 TYR CE1 C 13 118.70 0.06 . 3 . . . . 112 TYR CE1 . 17973 1 1349 . 1 1 112 112 TYR N N 15 119.47 0.01 . 1 . . . . 112 TYR N . 17973 1 1350 . 1 1 113 113 LEU H H 1 9.31 0.01 . 1 . . . . 113 LEU H . 17973 1 1351 . 1 1 113 113 LEU HA H 1 5.42 0.02 . 1 . . . . 113 LEU HA . 17973 1 1352 . 1 1 113 113 LEU HB2 H 1 1.26 0.00 . 2 . . . . 113 LEU HB2 . 17973 1 1353 . 1 1 113 113 LEU HB3 H 1 2.00 0.00 . 2 . . . . 113 LEU HB3 . 17973 1 1354 . 1 1 113 113 LEU HG H 1 0.97 0.01 . 1 . . . . 113 LEU HG . 17973 1 1355 . 1 1 113 113 LEU HD11 H 1 0.75 0.01 . 1 . . . . 113 LEU HD1 . 17973 1 1356 . 1 1 113 113 LEU HD12 H 1 0.75 0.01 . 1 . . . . 113 LEU HD1 . 17973 1 1357 . 1 1 113 113 LEU HD13 H 1 0.75 0.01 . 1 . . . . 113 LEU HD1 . 17973 1 1358 . 1 1 113 113 LEU HD21 H 1 0.99 0.00 . 1 . . . . 113 LEU HD2 . 17973 1 1359 . 1 1 113 113 LEU HD22 H 1 0.99 0.00 . 1 . . . . 113 LEU HD2 . 17973 1 1360 . 1 1 113 113 LEU HD23 H 1 0.99 0.00 . 1 . . . . 113 LEU HD2 . 17973 1 1361 . 1 1 113 113 LEU C C 13 178.10 0.00 . 1 . . . . 113 LEU C . 17973 1 1362 . 1 1 113 113 LEU CA C 13 53.87 0.03 . 1 . . . . 113 LEU CA . 17973 1 1363 . 1 1 113 113 LEU CB C 13 43.72 0.05 . 1 . . . . 113 LEU CB . 17973 1 1364 . 1 1 113 113 LEU CG C 13 27.57 0.00 . 1 . . . . 113 LEU CG . 17973 1 1365 . 1 1 113 113 LEU CD1 C 13 24.23 0.00 . 2 . . . . 113 LEU CD1 . 17973 1 1366 . 1 1 113 113 LEU CD2 C 13 24.00 0.01 . 2 . . . . 113 LEU CD2 . 17973 1 1367 . 1 1 113 113 LEU N N 15 126.06 0.03 . 1 . . . . 113 LEU N . 17973 1 1368 . 1 1 114 114 SER H H 1 9.49 0.00 . 1 . . . . 114 SER H . 17973 1 1369 . 1 1 114 114 SER HA H 1 5.21 0.01 . 1 . . . . 114 SER HA . 17973 1 1370 . 1 1 114 114 SER HB2 H 1 3.73 0.02 . 2 . . . . 114 SER HB2 . 17973 1 1371 . 1 1 114 114 SER HB3 H 1 3.93 0.01 . 2 . . . . 114 SER HB3 . 17973 1 1372 . 1 1 114 114 SER HG H 1 6.06 0.00 . 1 . . . . 114 SER HG . 17973 1 1373 . 1 1 114 114 SER C C 13 171.71 0.00 . 1 . . . . 114 SER C . 17973 1 1374 . 1 1 114 114 SER CA C 13 58.03 0.05 . 1 . . . . 114 SER CA . 17973 1 1375 . 1 1 114 114 SER CB C 13 66.30 0.04 . 1 . . . . 114 SER CB . 17973 1 1376 . 1 1 114 114 SER N N 15 121.01 0.01 . 1 . . . . 114 SER N . 17973 1 1377 . 1 1 115 115 ASP H H 1 9.43 0.00 . 1 . . . . 115 ASP H . 17973 1 1378 . 1 1 115 115 ASP HA H 1 5.56 0.01 . 1 . . . . 115 ASP HA . 17973 1 1379 . 1 1 115 115 ASP HB2 H 1 2.51 0.01 . 2 . . . . 115 ASP HB2 . 17973 1 1380 . 1 1 115 115 ASP HB3 H 1 2.62 0.01 . 2 . . . . 115 ASP HB3 . 17973 1 1381 . 1 1 115 115 ASP C C 13 176.00 0.00 . 1 . . . . 115 ASP C . 17973 1 1382 . 1 1 115 115 ASP CA C 13 53.24 0.03 . 1 . . . . 115 ASP CA . 17973 1 1383 . 1 1 115 115 ASP CB C 13 43.86 0.03 . 1 . . . . 115 ASP CB . 17973 1 1384 . 1 1 115 115 ASP N N 15 125.80 0.01 . 1 . . . . 115 ASP N . 17973 1 1385 . 1 1 116 116 CYS H H 1 8.47 0.00 . 1 . . . . 116 CYS H . 17973 1 1386 . 1 1 116 116 CYS HA H 1 5.30 0.01 . 1 . . . . 116 CYS HA . 17973 1 1387 . 1 1 116 116 CYS HB2 H 1 2.46 0.00 . 2 . . . . 116 CYS HB2 . 17973 1 1388 . 1 1 116 116 CYS HB3 H 1 2.70 0.01 . 2 . . . . 116 CYS HB3 . 17973 1 1389 . 1 1 116 116 CYS C C 13 173.40 0.00 . 1 . . . . 116 CYS C . 17973 1 1390 . 1 1 116 116 CYS CA C 13 53.43 0.03 . 1 . . . . 116 CYS CA . 17973 1 1391 . 1 1 116 116 CYS CB C 13 39.54 0.02 . 1 . . . . 116 CYS CB . 17973 1 1392 . 1 1 116 116 CYS N N 15 118.90 0.01 . 1 . . . . 116 CYS N . 17973 1 1393 . 1 1 117 117 ASN H H 1 8.71 0.00 . 1 . . . . 117 ASN H . 17973 1 1394 . 1 1 117 117 ASN HA H 1 5.63 0.00 . 1 . . . . 117 ASN HA . 17973 1 1395 . 1 1 117 117 ASN HB2 H 1 2.74 0.00 . 2 . . . . 117 ASN HB2 . 17973 1 1396 . 1 1 117 117 ASN HB3 H 1 2.88 0.00 . 2 . . . . 117 ASN HB3 . 17973 1 1397 . 1 1 117 117 ASN HD21 H 1 7.06 0.00 . 2 . . . . 117 ASN HD21 . 17973 1 1398 . 1 1 117 117 ASN HD22 H 1 7.43 0.00 . 2 . . . . 117 ASN HD22 . 17973 1 1399 . 1 1 117 117 ASN C C 13 174.69 0.00 . 1 . . . . 117 ASN C . 17973 1 1400 . 1 1 117 117 ASN CA C 13 52.12 0.05 . 1 . . . . 117 ASN CA . 17973 1 1401 . 1 1 117 117 ASN CB C 13 41.95 0.05 . 1 . . . . 117 ASN CB . 17973 1 1402 . 1 1 117 117 ASN N N 15 121.96 0.02 . 1 . . . . 117 ASN N . 17973 1 1403 . 1 1 117 117 ASN ND2 N 15 111.22 0.02 . 1 . . . . 117 ASN ND2 . 17973 1 1404 . 1 1 118 118 VAL H H 1 8.95 0.00 . 1 . . . . 118 VAL H . 17973 1 1405 . 1 1 118 118 VAL HA H 1 3.66 0.01 . 1 . . . . 118 VAL HA . 17973 1 1406 . 1 1 118 118 VAL HB H 1 2.07 0.01 . 1 . . . . 118 VAL HB . 17973 1 1407 . 1 1 118 118 VAL HG11 H 1 0.77 0.02 . 2 . . . . 118 VAL HG1 . 17973 1 1408 . 1 1 118 118 VAL HG12 H 1 0.77 0.02 . 2 . . . . 118 VAL HG1 . 17973 1 1409 . 1 1 118 118 VAL HG13 H 1 0.77 0.02 . 2 . . . . 118 VAL HG1 . 17973 1 1410 . 1 1 118 118 VAL HG21 H 1 0.88 0.02 . 2 . . . . 118 VAL HG2 . 17973 1 1411 . 1 1 118 118 VAL HG22 H 1 0.88 0.02 . 2 . . . . 118 VAL HG2 . 17973 1 1412 . 1 1 118 118 VAL HG23 H 1 0.88 0.02 . 2 . . . . 118 VAL HG2 . 17973 1 1413 . 1 1 118 118 VAL C C 13 174.89 0.00 . 1 . . . . 118 VAL C . 17973 1 1414 . 1 1 118 118 VAL CA C 13 62.65 0.05 . 1 . . . . 118 VAL CA . 17973 1 1415 . 1 1 118 118 VAL CB C 13 31.94 0.08 . 1 . . . . 118 VAL CB . 17973 1 1416 . 1 1 118 118 VAL CG1 C 13 21.61 0.04 . 2 . . . . 118 VAL CG1 . 17973 1 1417 . 1 1 118 118 VAL CG2 C 13 20.42 0.05 . 2 . . . . 118 VAL CG2 . 17973 1 1418 . 1 1 118 118 VAL N N 15 127.57 0.02 . 1 . . . . 118 VAL N . 17973 1 1419 . 1 1 119 119 THR H H 1 8.36 0.01 . 1 . . . . 119 THR H . 17973 1 1420 . 1 1 119 119 THR HA H 1 4.47 0.01 . 1 . . . . 119 THR HA . 17973 1 1421 . 1 1 119 119 THR HB H 1 4.03 0.02 . 1 . . . . 119 THR HB . 17973 1 1422 . 1 1 119 119 THR HG21 H 1 1.01 0.00 . 1 . . . . 119 THR HG2 . 17973 1 1423 . 1 1 119 119 THR HG22 H 1 1.01 0.00 . 1 . . . . 119 THR HG2 . 17973 1 1424 . 1 1 119 119 THR HG23 H 1 1.01 0.00 . 1 . . . . 119 THR HG2 . 17973 1 1425 . 1 1 119 119 THR C C 13 173.09 0.00 . 1 . . . . 119 THR C . 17973 1 1426 . 1 1 119 119 THR CA C 13 60.94 0.05 . 1 . . . . 119 THR CA . 17973 1 1427 . 1 1 119 119 THR CB C 13 70.37 0.03 . 1 . . . . 119 THR CB . 17973 1 1428 . 1 1 119 119 THR CG2 C 13 20.68 0.00 . 1 . . . . 119 THR CG2 . 17973 1 1429 . 1 1 119 119 THR N N 15 119.59 0.03 . 1 . . . . 119 THR N . 17973 1 1430 . 1 1 120 120 SER H H 1 7.75 0.00 . 1 . . . . 120 SER H . 17973 1 1431 . 1 1 120 120 SER HA H 1 4.26 0.01 . 1 . . . . 120 SER HA . 17973 1 1432 . 1 1 120 120 SER HB2 H 1 3.83 0.00 . 2 . . . . 120 SER HB2 . 17973 1 1433 . 1 1 120 120 SER HB3 H 1 3.83 0.00 . 2 . . . . 120 SER HB3 . 17973 1 1434 . 1 1 120 120 SER CA C 13 59.94 0.01 . 1 . . . . 120 SER CA . 17973 1 1435 . 1 1 120 120 SER CB C 13 64.99 0.05 . 1 . . . . 120 SER CB . 17973 1 1436 . 1 1 120 120 SER N N 15 122.94 0.03 . 1 . . . . 120 SER N . 17973 1 stop_ save_