data_16653 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16653 _Entry.Title ; 1H, 13C and 15N resonance assignment of the PDZ domain of HtrA from Streptococcus pneumonia ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-12-23 _Entry.Accession_date 2009-12-23 _Entry.Last_release_date 2010-05-05 _Entry.Original_release_date 2010-05-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kai Fan . . . 16653 2 Qiang Shang . . . 16653 3 Jiahai Zhang . . . 16653 4 Xiaoming Tu . . . 16653 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16653 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 376 16653 '15N chemical shifts' 119 16653 '1H chemical shifts' 796 16653 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-05-05 2009-12-23 original author . 16653 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L97 'BMRB Entry Tracking System' 16653 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16653 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20437142 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignment of the PDZ domain of HtrA from Streptococcus pneumoniae.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _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 79 _Citation.Page_last 82 _Citation.Year 2010 _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 Kai Fan . . . 16653 1 2 Jiahai Zhang . . . 16653 1 3 Qiang Shang . . . 16653 1 4 Xiaoming Tu . . . 16653 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16653 _Assembly.ID 1 _Assembly.Name HtrA_PDZ _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'HtrA_PDZ, chain 1' 1 $HtrA-PDZ A . yes native no no . . . 16653 1 2 'HtrA_PDZ, chain 2' 1 $HtrA-PDZ B . yes native no no . . . 16653 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HtrA-PDZ _Entity.Sf_category entity _Entity.Sf_framecode HtrA-PDZ _Entity.Entry_ID 16653 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HtrA-PDZ _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 ; MEGLGFAIPANDAINIIEQL EKNGKVTRPALGIQMVNLSN VSTSDIRRLNIPSNVTSGVI VRSVQSNMPANGHLEKYDVI TKVDDKEIASSTDLQSALYN HSIGDTIKITYYRNGKEETT SIKLNKLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L97 . "Solution Structure Of Htra Pdz Domain From Streptococcus Pneumoniae" . . . . . 100.00 134 100.00 100.00 3.80e-91 . . . . 16653 1 2 no EMBL CAR70001 . "serine protease [Streptococcus pneumoniae ATCC 700669]" . . . . . 94.03 393 98.41 100.00 5.68e-81 . . . . 16653 1 3 no EMBL CBW33633 . "serine protease [Streptococcus pneumoniae OXC141]" . . . . . 94.03 393 99.21 100.00 3.42e-81 . . . . 16653 1 4 no EMBL CBW35682 . "serine protease [Streptococcus pneumoniae INV200]" . . . . . 94.03 393 98.41 100.00 5.68e-81 . . . . 16653 1 5 no EMBL CBW37622 . "serine protease [Streptococcus pneumoniae INV104]" . . . . . 94.03 393 99.21 100.00 3.42e-81 . . . . 16653 1 6 no EMBL CCM09372 . "serine protease [Streptococcus pneumoniae SPNA45]" . . . . . 94.03 393 98.41 100.00 5.68e-81 . . . . 16653 1 7 no GB AAC45334 . "putative serine protease [Streptococcus pneumoniae]" . . . . . 94.03 397 99.21 100.00 3.74e-81 . . . . 16653 1 8 no GB AAK76286 . "serine protease [Streptococcus pneumoniae TIGR4]" . . . . . 94.03 393 99.21 100.00 3.42e-81 . . . . 16653 1 9 no GB AAL00847 . "Serine protease [Streptococcus pneumoniae R6]" . . . . . 94.03 397 99.21 100.00 3.74e-81 . . . . 16653 1 10 no GB ABJ54994 . "serine protease [Streptococcus pneumoniae D39]" . . . . . 94.03 393 99.21 100.00 3.42e-81 . . . . 16653 1 11 no GB ACA35689 . "trypsin domain protein [Streptococcus pneumoniae Hungary19A-6]" . . . . . 94.03 393 98.41 100.00 6.61e-81 . . . . 16653 1 12 no REF NP_359636 . "serine protease [Streptococcus pneumoniae R6]" . . . . . 94.03 397 99.21 100.00 3.74e-81 . . . . 16653 1 13 no REF WP_000197799 . "serine protease [Streptococcus pneumoniae]" . . . . . 75.37 108 98.02 100.00 2.13e-63 . . . . 16653 1 14 no REF WP_000681590 . "serine protease [Streptococcus pneumoniae]" . . . . . 94.03 393 99.21 100.00 2.50e-81 . . . . 16653 1 15 no REF WP_000681595 . "serine protease [Streptococcus pneumoniae]" . . . . . 94.03 393 98.41 100.00 5.68e-81 . . . . 16653 1 16 no REF WP_000681597 . "serine protease [Streptococcus pneumoniae]" . . . . . 94.03 393 99.21 100.00 3.42e-81 . . . . 16653 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 . MET . 16653 1 2 . GLU . 16653 1 3 . GLY . 16653 1 4 . LEU . 16653 1 5 . GLY . 16653 1 6 . PHE . 16653 1 7 . ALA . 16653 1 8 . ILE . 16653 1 9 . PRO . 16653 1 10 . ALA . 16653 1 11 . ASN . 16653 1 12 . ASP . 16653 1 13 . ALA . 16653 1 14 . ILE . 16653 1 15 . ASN . 16653 1 16 . ILE . 16653 1 17 . ILE . 16653 1 18 . GLU . 16653 1 19 . GLN . 16653 1 20 . LEU . 16653 1 21 . GLU . 16653 1 22 . LYS . 16653 1 23 . ASN . 16653 1 24 . GLY . 16653 1 25 . LYS . 16653 1 26 . VAL . 16653 1 27 . THR . 16653 1 28 . ARG . 16653 1 29 . PRO . 16653 1 30 . ALA . 16653 1 31 . LEU . 16653 1 32 . GLY . 16653 1 33 . ILE . 16653 1 34 . GLN . 16653 1 35 . MET . 16653 1 36 . VAL . 16653 1 37 . ASN . 16653 1 38 . LEU . 16653 1 39 . SER . 16653 1 40 . ASN . 16653 1 41 . VAL . 16653 1 42 . SER . 16653 1 43 . THR . 16653 1 44 . SER . 16653 1 45 . ASP . 16653 1 46 . ILE . 16653 1 47 . ARG . 16653 1 48 . ARG . 16653 1 49 . LEU . 16653 1 50 . ASN . 16653 1 51 . ILE . 16653 1 52 . PRO . 16653 1 53 . SER . 16653 1 54 . ASN . 16653 1 55 . VAL . 16653 1 56 . THR . 16653 1 57 . SER . 16653 1 58 . GLY . 16653 1 59 . VAL . 16653 1 60 . ILE . 16653 1 61 . VAL . 16653 1 62 . ARG . 16653 1 63 . SER . 16653 1 64 . VAL . 16653 1 65 . GLN . 16653 1 66 . SER . 16653 1 67 . ASN . 16653 1 68 . MET . 16653 1 69 . PRO . 16653 1 70 . ALA . 16653 1 71 . ASN . 16653 1 72 . GLY . 16653 1 73 . HIS . 16653 1 74 . LEU . 16653 1 75 . GLU . 16653 1 76 . LYS . 16653 1 77 . TYR . 16653 1 78 . ASP . 16653 1 79 . VAL . 16653 1 80 . ILE . 16653 1 81 . THR . 16653 1 82 . LYS . 16653 1 83 . VAL . 16653 1 84 . ASP . 16653 1 85 . ASP . 16653 1 86 . LYS . 16653 1 87 . GLU . 16653 1 88 . ILE . 16653 1 89 . ALA . 16653 1 90 . SER . 16653 1 91 . SER . 16653 1 92 . THR . 16653 1 93 . ASP . 16653 1 94 . LEU . 16653 1 95 . GLN . 16653 1 96 . SER . 16653 1 97 . ALA . 16653 1 98 . LEU . 16653 1 99 . TYR . 16653 1 100 . ASN . 16653 1 101 . HIS . 16653 1 102 . SER . 16653 1 103 . ILE . 16653 1 104 . GLY . 16653 1 105 . ASP . 16653 1 106 . THR . 16653 1 107 . ILE . 16653 1 108 . LYS . 16653 1 109 . ILE . 16653 1 110 . THR . 16653 1 111 . TYR . 16653 1 112 . TYR . 16653 1 113 . ARG . 16653 1 114 . ASN . 16653 1 115 . GLY . 16653 1 116 . LYS . 16653 1 117 . GLU . 16653 1 118 . GLU . 16653 1 119 . THR . 16653 1 120 . THR . 16653 1 121 . SER . 16653 1 122 . ILE . 16653 1 123 . LYS . 16653 1 124 . LEU . 16653 1 125 . ASN . 16653 1 126 . LYS . 16653 1 127 . LEU . 16653 1 128 . GLU . 16653 1 129 . HIS . 16653 1 130 . HIS . 16653 1 131 . HIS . 16653 1 132 . HIS . 16653 1 133 . HIS . 16653 1 134 . HIS . 16653 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16653 1 . GLU 2 2 16653 1 . GLY 3 3 16653 1 . LEU 4 4 16653 1 . GLY 5 5 16653 1 . PHE 6 6 16653 1 . ALA 7 7 16653 1 . ILE 8 8 16653 1 . PRO 9 9 16653 1 . ALA 10 10 16653 1 . ASN 11 11 16653 1 . ASP 12 12 16653 1 . ALA 13 13 16653 1 . ILE 14 14 16653 1 . ASN 15 15 16653 1 . ILE 16 16 16653 1 . ILE 17 17 16653 1 . GLU 18 18 16653 1 . GLN 19 19 16653 1 . LEU 20 20 16653 1 . GLU 21 21 16653 1 . LYS 22 22 16653 1 . ASN 23 23 16653 1 . GLY 24 24 16653 1 . LYS 25 25 16653 1 . VAL 26 26 16653 1 . THR 27 27 16653 1 . ARG 28 28 16653 1 . PRO 29 29 16653 1 . ALA 30 30 16653 1 . LEU 31 31 16653 1 . GLY 32 32 16653 1 . ILE 33 33 16653 1 . GLN 34 34 16653 1 . MET 35 35 16653 1 . VAL 36 36 16653 1 . ASN 37 37 16653 1 . LEU 38 38 16653 1 . SER 39 39 16653 1 . ASN 40 40 16653 1 . VAL 41 41 16653 1 . SER 42 42 16653 1 . THR 43 43 16653 1 . SER 44 44 16653 1 . ASP 45 45 16653 1 . ILE 46 46 16653 1 . ARG 47 47 16653 1 . ARG 48 48 16653 1 . LEU 49 49 16653 1 . ASN 50 50 16653 1 . ILE 51 51 16653 1 . PRO 52 52 16653 1 . SER 53 53 16653 1 . ASN 54 54 16653 1 . VAL 55 55 16653 1 . THR 56 56 16653 1 . SER 57 57 16653 1 . GLY 58 58 16653 1 . VAL 59 59 16653 1 . ILE 60 60 16653 1 . VAL 61 61 16653 1 . ARG 62 62 16653 1 . SER 63 63 16653 1 . VAL 64 64 16653 1 . GLN 65 65 16653 1 . SER 66 66 16653 1 . ASN 67 67 16653 1 . MET 68 68 16653 1 . PRO 69 69 16653 1 . ALA 70 70 16653 1 . ASN 71 71 16653 1 . GLY 72 72 16653 1 . HIS 73 73 16653 1 . LEU 74 74 16653 1 . GLU 75 75 16653 1 . LYS 76 76 16653 1 . TYR 77 77 16653 1 . ASP 78 78 16653 1 . VAL 79 79 16653 1 . ILE 80 80 16653 1 . THR 81 81 16653 1 . LYS 82 82 16653 1 . VAL 83 83 16653 1 . ASP 84 84 16653 1 . ASP 85 85 16653 1 . LYS 86 86 16653 1 . GLU 87 87 16653 1 . ILE 88 88 16653 1 . ALA 89 89 16653 1 . SER 90 90 16653 1 . SER 91 91 16653 1 . THR 92 92 16653 1 . ASP 93 93 16653 1 . LEU 94 94 16653 1 . GLN 95 95 16653 1 . SER 96 96 16653 1 . ALA 97 97 16653 1 . LEU 98 98 16653 1 . TYR 99 99 16653 1 . ASN 100 100 16653 1 . HIS 101 101 16653 1 . SER 102 102 16653 1 . ILE 103 103 16653 1 . GLY 104 104 16653 1 . ASP 105 105 16653 1 . THR 106 106 16653 1 . ILE 107 107 16653 1 . LYS 108 108 16653 1 . ILE 109 109 16653 1 . THR 110 110 16653 1 . TYR 111 111 16653 1 . TYR 112 112 16653 1 . ARG 113 113 16653 1 . ASN 114 114 16653 1 . GLY 115 115 16653 1 . LYS 116 116 16653 1 . GLU 117 117 16653 1 . GLU 118 118 16653 1 . THR 119 119 16653 1 . THR 120 120 16653 1 . SER 121 121 16653 1 . ILE 122 122 16653 1 . LYS 123 123 16653 1 . LEU 124 124 16653 1 . ASN 125 125 16653 1 . LYS 126 126 16653 1 . LEU 127 127 16653 1 . GLU 128 128 16653 1 . HIS 129 129 16653 1 . HIS 130 130 16653 1 . HIS 131 131 16653 1 . HIS 132 132 16653 1 . HIS 133 133 16653 1 . HIS 134 134 16653 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 16653 _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 $HtrA-PDZ . 1313 organism . 'Streptococcus pneumoniae' 'Streptococcus pneumoniae' . . Bacteria . Streptococcus pneumoniae TIR4 . . . . . . . . . . . . . . . SP_2239 . . . . 16653 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 16653 _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 $HtrA-PDZ . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22 . . . . . . 16653 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16653 _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 HtrA-PDZ '[U-99% 13C; U-99% 15N]' . . 1 $HtrA-PDZ . . 0.6 . . mM . . . . 16653 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16653 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 16653 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16653 1 5 EDTA 'natural abundance' . . . . . . 1.5 . . mM . . . . 16653 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16653 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16653 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 125 . mM 16653 1 pH 6.8 . pH 16653 1 pressure 1 . atm 16653 1 temperature 298 . K 16653 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16653 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16653 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16653 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_DMX500_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_DMX500_spectrometer _NMR_spectrometer.Entry_ID 16653 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16653 _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_DMX500_spectrometer Bruker DMX . 500 . . . 16653 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 16653 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX500_spectrometer . . . . . . . . . . . . . . . . 16653 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX500_spectrometer . . . . . . . . . . . . . . . . 16653 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX500_spectrometer . . . . . . . . . . . . . . . . 16653 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX500_spectrometer . . . . . . . . . . . . . . . . 16653 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX500_spectrometer . . . . . . . . . . . . . . . . 16653 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX500_spectrometer . . . . . . . . . . . . . . . . 16653 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX500_spectrometer . . . . . . . . . . . . . . . . 16653 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX500_spectrometer . . . . . . . . . . . . . . . . 16653 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX500_spectrometer . . . . . . . . . . . . . . . . 16653 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX500_spectrometer . . . . . . . . . . . . . . . . 16653 1 11 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX500_spectrometer . . . . . . . . . . . . . . . . 16653 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 16653 _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 water protons . . . . ppm 4.808 internal indirect 0.251449530 . . . . . . . . . 16653 1 H 1 water protons . . . . ppm 4.808 internal direct 1 . . . . . . . . . 16653 1 N 15 water protons . . . . ppm 4.808 internal indirect 0.101329118 . . . . . . . . . 16653 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16653 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 16653 1 3 '3D CBCA(CO)NH' . . . 16653 1 4 '3D C(CO)NH' . . . 16653 1 5 '3D HBHA(CO)NH' . . . 16653 1 6 '3D H(CCO)NH' . . . 16653 1 7 '3D HCCH-TOCSY' . . . 16653 1 8 '3D HNCACB' . . . 16653 1 11 '3D HCCH-COSY' . . . 16653 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 GLU HA H 1 4.335 . . 1 . . . . 2 GLU HA . 16653 1 2 . 1 1 2 2 GLU HB2 H 1 1.995 . . 2 . . . . 2 GLU HB2 . 16653 1 3 . 1 1 2 2 GLU HB3 H 1 1.917 . . 2 . . . . 2 GLU HB3 . 16653 1 4 . 1 1 2 2 GLU HG2 H 1 2.206 . . 2 . . . . 2 GLU HG2 . 16653 1 5 . 1 1 2 2 GLU HG3 H 1 2.206 . . 2 . . . . 2 GLU HG3 . 16653 1 6 . 1 1 2 2 GLU CA C 13 56.24 . . 1 . . . . 2 GLU CA . 16653 1 7 . 1 1 2 2 GLU CB C 13 30.49 . . 1 . . . . 2 GLU CB . 16653 1 8 . 1 1 2 2 GLU CG C 13 35.96 . . 1 . . . . 2 GLU CG . 16653 1 9 . 1 1 3 3 GLY H H 1 8.558 . . 1 . . . . 3 GLY H . 16653 1 10 . 1 1 3 3 GLY HA2 H 1 3.967 . . 2 . . . . 3 GLY HA2 . 16653 1 11 . 1 1 3 3 GLY HA3 H 1 3.895 . . 2 . . . . 3 GLY HA3 . 16653 1 12 . 1 1 3 3 GLY CA C 13 45.23 . . 1 . . . . 3 GLY CA . 16653 1 13 . 1 1 3 3 GLY N N 15 110.2 . . 1 . . . . 3 GLY N . 16653 1 14 . 1 1 4 4 LEU H H 1 8.236 . . 1 . . . . 4 LEU H . 16653 1 15 . 1 1 4 4 LEU HA H 1 4.247 . . 1 . . . . 4 LEU HA . 16653 1 16 . 1 1 4 4 LEU HB2 H 1 1.489 . . 2 . . . . 4 LEU HB2 . 16653 1 17 . 1 1 4 4 LEU HB3 H 1 1.489 . . 2 . . . . 4 LEU HB3 . 16653 1 18 . 1 1 4 4 LEU HD11 H 1 0.853 . . 2 . . . . 4 LEU MD1 . 16653 1 19 . 1 1 4 4 LEU HD12 H 1 0.853 . . 2 . . . . 4 LEU MD1 . 16653 1 20 . 1 1 4 4 LEU HD13 H 1 0.853 . . 2 . . . . 4 LEU MD1 . 16653 1 21 . 1 1 4 4 LEU HD21 H 1 0.806 . . 2 . . . . 4 LEU MD2 . 16653 1 22 . 1 1 4 4 LEU HD22 H 1 0.806 . . 2 . . . . 4 LEU MD2 . 16653 1 23 . 1 1 4 4 LEU HD23 H 1 0.806 . . 2 . . . . 4 LEU MD2 . 16653 1 24 . 1 1 4 4 LEU HG H 1 0.896 . . 1 . . . . 4 LEU HG . 16653 1 25 . 1 1 4 4 LEU CA C 13 55.27 . . 1 . . . . 4 LEU CA . 16653 1 26 . 1 1 4 4 LEU CB C 13 42.3 . . 1 . . . . 4 LEU CB . 16653 1 27 . 1 1 4 4 LEU CD1 C 13 24.6 . . 2 . . . . 4 LEU CD1 . 16653 1 28 . 1 1 4 4 LEU CD2 C 13 23.73 . . 2 . . . . 4 LEU CD2 . 16653 1 29 . 1 1 4 4 LEU CG C 13 26.98 . . 1 . . . . 4 LEU CG . 16653 1 30 . 1 1 4 4 LEU N N 15 121.6 . . 1 . . . . 4 LEU N . 16653 1 31 . 1 1 5 5 GLY H H 1 8.432 . . 1 . . . . 5 GLY H . 16653 1 32 . 1 1 5 5 GLY HA2 H 1 3.787 . . 2 . . . . 5 GLY HA2 . 16653 1 33 . 1 1 5 5 GLY HA3 H 1 3.787 . . 2 . . . . 5 GLY HA3 . 16653 1 34 . 1 1 5 5 GLY CA C 13 45.24 . . 1 . . . . 5 GLY CA . 16653 1 35 . 1 1 5 5 GLY N N 15 109.8 . . 1 . . . . 5 GLY N . 16653 1 36 . 1 1 6 6 PHE H H 1 7.964 . . 1 . . . . 6 PHE H . 16653 1 37 . 1 1 6 6 PHE HA H 1 4.569 . . 1 . . . . 6 PHE HA . 16653 1 38 . 1 1 6 6 PHE HB2 H 1 3.044 . . 2 . . . . 6 PHE HB2 . 16653 1 39 . 1 1 6 6 PHE HB3 H 1 2.952 . . 2 . . . . 6 PHE HB3 . 16653 1 40 . 1 1 6 6 PHE CA C 13 57.2 . . 1 . . . . 6 PHE CA . 16653 1 41 . 1 1 6 6 PHE CB C 13 39.77 . . 1 . . . . 6 PHE CB . 16653 1 42 . 1 1 6 6 PHE N N 15 118.1 . . 1 . . . . 6 PHE N . 16653 1 43 . 1 1 7 7 ALA H H 1 8.266 . . 1 . . . . 7 ALA H . 16653 1 44 . 1 1 7 7 ALA HA H 1 4.255 . . 1 . . . . 7 ALA HA . 16653 1 45 . 1 1 7 7 ALA HB1 H 1 1.252 . . 1 . . . . 7 ALA MB . 16653 1 46 . 1 1 7 7 ALA HB2 H 1 1.252 . . 1 . . . . 7 ALA MB . 16653 1 47 . 1 1 7 7 ALA HB3 H 1 1.252 . . 1 . . . . 7 ALA MB . 16653 1 48 . 1 1 7 7 ALA CA C 13 52.09 . . 1 . . . . 7 ALA CA . 16653 1 49 . 1 1 7 7 ALA CB C 13 19.3 . . 1 . . . . 7 ALA CB . 16653 1 50 . 1 1 7 7 ALA N N 15 125.7 . . 1 . . . . 7 ALA N . 16653 1 51 . 1 1 8 8 ILE H H 1 8.168 . . 1 . . . . 8 ILE H . 16653 1 52 . 1 1 8 8 ILE CA C 13 61.53 . . 1 . . . . 8 ILE CA . 16653 1 53 . 1 1 8 8 ILE CB C 13 38.55 . . 1 . . . . 8 ILE CB . 16653 1 54 . 1 1 8 8 ILE N N 15 122.4 . . 1 . . . . 8 ILE N . 16653 1 55 . 1 1 9 9 PRO HA H 1 4.316 . . 1 . . . . 9 PRO HA . 16653 1 56 . 1 1 9 9 PRO HB2 H 1 2.24 . . 2 . . . . 9 PRO HB2 . 16653 1 57 . 1 1 9 9 PRO HB3 H 1 1.871 . . 2 . . . . 9 PRO HB3 . 16653 1 58 . 1 1 9 9 PRO HD2 H 1 3.856 . . 2 . . . . 9 PRO HD2 . 16653 1 59 . 1 1 9 9 PRO HD3 H 1 3.631 . . 2 . . . . 9 PRO HD3 . 16653 1 60 . 1 1 9 9 PRO HG2 H 1 2.051 . . 2 . . . . 9 PRO HG2 . 16653 1 61 . 1 1 9 9 PRO HG3 H 1 2.008 . . 2 . . . . 9 PRO HG3 . 16653 1 62 . 1 1 9 9 PRO CA C 13 63.13 . . 1 . . . . 9 PRO CA . 16653 1 63 . 1 1 9 9 PRO CB C 13 32.2 . . 1 . . . . 9 PRO CB . 16653 1 64 . 1 1 9 9 PRO CD C 13 51.02 . . 1 . . . . 9 PRO CD . 16653 1 65 . 1 1 9 9 PRO CG C 13 27.61 . . 1 . . . . 9 PRO CG . 16653 1 66 . 1 1 10 10 ALA H H 1 8.436 . . 1 . . . . 10 ALA H . 16653 1 67 . 1 1 10 10 ALA HA H 1 4.201 . . 1 . . . . 10 ALA HA . 16653 1 68 . 1 1 10 10 ALA HB1 H 1 1.33 . . 1 . . . . 10 ALA MB . 16653 1 69 . 1 1 10 10 ALA HB2 H 1 1.33 . . 1 . . . . 10 ALA MB . 16653 1 70 . 1 1 10 10 ALA HB3 H 1 1.33 . . 1 . . . . 10 ALA MB . 16653 1 71 . 1 1 10 10 ALA CA C 13 52.64 . . 1 . . . . 10 ALA CA . 16653 1 72 . 1 1 10 10 ALA CB C 13 19.2 . . 1 . . . . 10 ALA CB . 16653 1 73 . 1 1 10 10 ALA N N 15 124.5 . . 1 . . . . 10 ALA N . 16653 1 74 . 1 1 11 11 ASN H H 1 8.417 . . 1 . . . . 11 ASN H . 16653 1 75 . 1 1 11 11 ASN HA H 1 4.201 . . 1 . . . . 11 ASN HA . 16653 1 76 . 1 1 11 11 ASN HB2 H 1 2.744 . . 2 . . . . 11 ASN HB2 . 16653 1 77 . 1 1 11 11 ASN HB3 H 1 2.744 . . 2 . . . . 11 ASN HB3 . 16653 1 78 . 1 1 11 11 ASN CA C 13 53.28 . . 1 . . . . 11 ASN CA . 16653 1 79 . 1 1 11 11 ASN CB C 13 38.77 . . 1 . . . . 11 ASN CB . 16653 1 80 . 1 1 11 11 ASN N N 15 124.5 . . 1 . . . . 11 ASN N . 16653 1 81 . 1 1 12 12 ASP H H 1 8.271 . . 1 . . . . 12 ASP H . 16653 1 82 . 1 1 12 12 ASP HA H 1 4.502 . . 1 . . . . 12 ASP HA . 16653 1 83 . 1 1 12 12 ASP HB2 H 1 2.753 . . 2 . . . . 12 ASP HB2 . 16653 1 84 . 1 1 12 12 ASP HB3 H 1 2.420 . . 2 . . . . 12 ASP HB3 . 16653 1 85 . 1 1 12 12 ASP CA C 13 54.44 . . 1 . . . . 12 ASP CA . 16653 1 86 . 1 1 12 12 ASP CB C 13 41.06 . . 1 . . . . 12 ASP CB . 16653 1 87 . 1 1 12 12 ASP N N 15 120.7 . . 1 . . . . 12 ASP N . 16653 1 88 . 1 1 13 13 ALA H H 1 8.105 . . 1 . . . . 13 ALA H . 16653 1 89 . 1 1 13 13 ALA HA H 1 4.216 . . 1 . . . . 13 ALA HA . 16653 1 90 . 1 1 13 13 ALA HB1 H 1 1.333 . . 1 . . . . 13 ALA MB . 16653 1 91 . 1 1 13 13 ALA HB2 H 1 1.333 . . 1 . . . . 13 ALA MB . 16653 1 92 . 1 1 13 13 ALA HB3 H 1 1.333 . . 1 . . . . 13 ALA MB . 16653 1 93 . 1 1 13 13 ALA CA C 13 52.89 . . 1 . . . . 13 ALA CA . 16653 1 94 . 1 1 13 13 ALA CB C 13 18.97 . . 1 . . . . 13 ALA CB . 16653 1 95 . 1 1 13 13 ALA N N 15 123.6 . . 1 . . . . 13 ALA N . 16653 1 96 . 1 1 14 14 ILE H H 1 7.985 . . 1 . . . . 14 ILE H . 16653 1 97 . 1 1 14 14 ILE HA H 1 4.233 . . 1 . . . . 14 ILE HA . 16653 1 98 . 1 1 14 14 ILE HB H 1 1.558 . . 1 . . . . 14 ILE HB . 16653 1 99 . 1 1 14 14 ILE HD11 H 1 0.574 . . 1 . . . . 14 ILE MD . 16653 1 100 . 1 1 14 14 ILE HD12 H 1 0.574 . . 1 . . . . 14 ILE MD . 16653 1 101 . 1 1 14 14 ILE HD13 H 1 0.574 . . 1 . . . . 14 ILE MD . 16653 1 102 . 1 1 14 14 ILE HG12 H 1 1.341 . . 2 . . . . 14 ILE HG12 . 16653 1 103 . 1 1 14 14 ILE HG13 H 1 0.889 . . 2 . . . . 14 ILE HG13 . 16653 1 104 . 1 1 14 14 ILE HG21 H 1 0.633 . . 1 . . . . 14 ILE MG . 16653 1 105 . 1 1 14 14 ILE HG22 H 1 0.633 . . 1 . . . . 14 ILE MG . 16653 1 106 . 1 1 14 14 ILE HG23 H 1 0.633 . . 1 . . . . 14 ILE MG . 16653 1 107 . 1 1 14 14 ILE CA C 13 61.43 . . 1 . . . . 14 ILE CA . 16653 1 108 . 1 1 14 14 ILE CB C 13 38.65 . . 1 . . . . 14 ILE CB . 16653 1 109 . 1 1 14 14 ILE CD1 C 13 13.14 . . 1 . . . . 14 ILE CD1 . 16653 1 110 . 1 1 14 14 ILE CG1 C 13 27.49 . . 1 . . . . 14 ILE CG1 . 16653 1 111 . 1 1 14 14 ILE CG2 C 13 17.66 . . 1 . . . . 14 ILE CG2 . 16653 1 112 . 1 1 14 14 ILE N N 15 118.8 . . 1 . . . . 14 ILE N . 16653 1 113 . 1 1 15 15 ASN H H 1 8.391 . . 1 . . . . 15 ASN H . 16653 1 114 . 1 1 15 15 ASN HA H 1 4.667 . . 1 . . . . 15 ASN HA . 16653 1 115 . 1 1 15 15 ASN HB2 H 1 2.723 . . 2 . . . . 15 ASN HB2 . 16653 1 116 . 1 1 15 15 ASN HB3 H 1 2.723 . . 2 . . . . 15 ASN HB3 . 16653 1 117 . 1 1 15 15 ASN CA C 13 53.39 . . 1 . . . . 15 ASN CA . 16653 1 118 . 1 1 15 15 ASN CB C 13 38.73 . . 1 . . . . 15 ASN CB . 16653 1 119 . 1 1 15 15 ASN N N 15 122.2 . . 1 . . . . 15 ASN N . 16653 1 120 . 1 1 16 16 ILE H H 1 8.117 . . 1 . . . . 16 ILE H . 16653 1 121 . 1 1 16 16 ILE HA H 1 4.008 . . 1 . . . . 16 ILE HA . 16653 1 122 . 1 1 16 16 ILE HB H 1 1.828 . . 1 . . . . 16 ILE HB . 16653 1 123 . 1 1 16 16 ILE HD11 H 1 0.807 . . 1 . . . . 16 ILE MD . 16653 1 124 . 1 1 16 16 ILE HD12 H 1 0.807 . . 1 . . . . 16 ILE MD . 16653 1 125 . 1 1 16 16 ILE HD13 H 1 0.807 . . 1 . . . . 16 ILE MD . 16653 1 126 . 1 1 16 16 ILE HG12 H 1 1.403 . . 2 . . . . 16 ILE HG12 . 16653 1 127 . 1 1 16 16 ILE HG13 H 1 1.244 . . 2 . . . . 16 ILE HG13 . 16653 1 128 . 1 1 16 16 ILE HG21 H 1 1.121 . . 1 . . . . 16 ILE MG . 16653 1 129 . 1 1 16 16 ILE HG22 H 1 1.121 . . 1 . . . . 16 ILE MG . 16653 1 130 . 1 1 16 16 ILE HG23 H 1 1.121 . . 1 . . . . 16 ILE MG . 16653 1 131 . 1 1 16 16 ILE CA C 13 61.95 . . 1 . . . . 16 ILE CA . 16653 1 132 . 1 1 16 16 ILE CB C 13 38.33 . . 1 . . . . 16 ILE CB . 16653 1 133 . 1 1 16 16 ILE CD1 C 13 13.11 . . 1 . . . . 16 ILE CD1 . 16653 1 134 . 1 1 16 16 ILE CG1 C 13 27.69 . . 1 . . . . 16 ILE CG1 . 16653 1 135 . 1 1 16 16 ILE CG2 C 13 17.71 . . 1 . . . . 16 ILE CG2 . 16653 1 136 . 1 1 16 16 ILE N N 15 121.8 . . 1 . . . . 16 ILE N . 16653 1 137 . 1 1 17 17 ILE H H 1 8.076 . . 1 . . . . 17 ILE H . 16653 1 138 . 1 1 17 17 ILE HA H 1 3.947 . . 1 . . . . 17 ILE HA . 16653 1 139 . 1 1 17 17 ILE HB H 1 1.832 . . 1 . . . . 17 ILE HB . 16653 1 140 . 1 1 17 17 ILE HD11 H 1 0.809 . . 1 . . . . 17 ILE MD . 16653 1 141 . 1 1 17 17 ILE HD12 H 1 0.809 . . 1 . . . . 17 ILE MD . 16653 1 142 . 1 1 17 17 ILE HD13 H 1 0.809 . . 1 . . . . 17 ILE MD . 16653 1 143 . 1 1 17 17 ILE HG12 H 1 1.434 . . 2 . . . . 17 ILE HG12 . 16653 1 144 . 1 1 17 17 ILE HG13 H 1 1.049 . . 2 . . . . 17 ILE HG13 . 16653 1 145 . 1 1 17 17 ILE HG21 H 1 1.049 . . 1 . . . . 17 ILE MG . 16653 1 146 . 1 1 17 17 ILE HG22 H 1 1.049 . . 1 . . . . 17 ILE MG . 16653 1 147 . 1 1 17 17 ILE HG23 H 1 1.049 . . 1 . . . . 17 ILE MG . 16653 1 148 . 1 1 17 17 ILE CA C 13 62.09 . . 1 . . . . 17 ILE CA . 16653 1 149 . 1 1 17 17 ILE CB C 13 38.07 . . 1 . . . . 17 ILE CB . 16653 1 150 . 1 1 17 17 ILE CD1 C 13 12.86 . . 1 . . . . 17 ILE CD1 . 16653 1 151 . 1 1 17 17 ILE CG1 C 13 27.93 . . 1 . . . . 17 ILE CG1 . 16653 1 152 . 1 1 17 17 ILE CG2 C 13 17.65 . . 1 . . . . 17 ILE CG2 . 16653 1 153 . 1 1 17 17 ILE N N 15 123.8 . . 1 . . . . 17 ILE N . 16653 1 154 . 1 1 18 18 GLU H H 1 8.293 . . 1 . . . . 18 GLU H . 16653 1 155 . 1 1 18 18 GLU HA H 1 4.133 . . 1 . . . . 18 GLU HA . 16653 1 156 . 1 1 18 18 GLU HB2 H 1 1.942 . . 2 . . . . 18 GLU HB2 . 16653 1 157 . 1 1 18 18 GLU HB3 H 1 1.729 . . 2 . . . . 18 GLU HB3 . 16653 1 158 . 1 1 18 18 GLU HG2 H 1 2.19 . . 2 . . . . 18 GLU HG2 . 16653 1 159 . 1 1 18 18 GLU HG3 H 1 2.203 . . 2 . . . . 18 GLU HG3 . 16653 1 160 . 1 1 18 18 GLU CA C 13 57.43 . . 1 . . . . 18 GLU CA . 16653 1 161 . 1 1 18 18 GLU CB C 13 29.9 . . 1 . . . . 18 GLU CB . 16653 1 162 . 1 1 18 18 GLU CG C 13 36.33 . . 1 . . . . 18 GLU CG . 16653 1 163 . 1 1 18 18 GLU N N 15 123.5 . . 1 . . . . 18 GLU N . 16653 1 164 . 1 1 19 19 GLN H H 1 8.257 . . 1 . . . . 19 GLN H . 16653 1 165 . 1 1 19 19 GLN HA H 1 4.18 . . 1 . . . . 19 GLN HA . 16653 1 166 . 1 1 19 19 GLN HB2 H 1 2.016 . . 2 . . . . 19 GLN HB2 . 16653 1 167 . 1 1 19 19 GLN HB3 H 1 2.016 . . 2 . . . . 19 GLN HB3 . 16653 1 168 . 1 1 19 19 GLN HG2 H 1 2.314 . . 2 . . . . 19 GLN HG2 . 16653 1 169 . 1 1 19 19 GLN HG3 H 1 2.314 . . 2 . . . . 19 GLN HG3 . 16653 1 170 . 1 1 19 19 GLN CA C 13 56.45 . . 1 . . . . 19 GLN CA . 16653 1 171 . 1 1 19 19 GLN CB C 13 29.1 . . 1 . . . . 19 GLN CB . 16653 1 172 . 1 1 19 19 GLN CG C 13 33.76 . . 1 . . . . 19 GLN CG . 16653 1 173 . 1 1 19 19 GLN N N 15 121.1 . . 1 . . . . 19 GLN N . 16653 1 174 . 1 1 20 20 LEU H H 1 8.18 . . 1 . . . . 20 LEU H . 16653 1 175 . 1 1 20 20 LEU HA H 1 4.187 . . 1 . . . . 20 LEU HA . 16653 1 176 . 1 1 20 20 LEU HB2 H 1 1.646 . . 2 . . . . 20 LEU HB2 . 16653 1 177 . 1 1 20 20 LEU HB3 H 1 1.488 . . 2 . . . . 20 LEU HB3 . 16653 1 178 . 1 1 20 20 LEU HD11 H 1 0.795 . . 2 . . . . 20 LEU MD1 . 16653 1 179 . 1 1 20 20 LEU HD12 H 1 0.795 . . 2 . . . . 20 LEU MD1 . 16653 1 180 . 1 1 20 20 LEU HD13 H 1 0.795 . . 2 . . . . 20 LEU MD1 . 16653 1 181 . 1 1 20 20 LEU HD21 H 1 0.795 . . 2 . . . . 20 LEU MD2 . 16653 1 182 . 1 1 20 20 LEU HD22 H 1 0.795 . . 2 . . . . 20 LEU MD2 . 16653 1 183 . 1 1 20 20 LEU HD23 H 1 0.795 . . 2 . . . . 20 LEU MD2 . 16653 1 184 . 1 1 20 20 LEU HG H 1 1.488 . . 1 . . . . 20 LEU HG . 16653 1 185 . 1 1 20 20 LEU CA C 13 56.09 . . 1 . . . . 20 LEU CA . 16653 1 186 . 1 1 20 20 LEU CB C 13 42.22 . . 1 . . . . 20 LEU CB . 16653 1 187 . 1 1 20 20 LEU CD1 C 13 24.7 . . 2 . . . . 20 LEU CD1 . 16653 1 188 . 1 1 20 20 LEU CD2 C 13 23.52 . . 2 . . . . 20 LEU CD2 . 16653 1 189 . 1 1 20 20 LEU CG C 13 26.96 . . 1 . . . . 20 LEU CG . 16653 1 190 . 1 1 20 20 LEU N N 15 122.4 . . 1 . . . . 20 LEU N . 16653 1 191 . 1 1 21 21 GLU H H 1 8.337 . . 1 . . . . 21 GLU H . 16653 1 192 . 1 1 21 21 GLU HA H 1 4.369 . . 1 . . . . 21 GLU HA . 16653 1 193 . 1 1 21 21 GLU HB2 H 1 2.287 . . 2 . . . . 21 GLU HB2 . 16653 1 194 . 1 1 21 21 GLU HB3 H 1 2.287 . . 2 . . . . 21 GLU HB3 . 16653 1 195 . 1 1 21 21 GLU HG2 H 1 2.755 . . 2 . . . . 21 GLU HG2 . 16653 1 196 . 1 1 21 21 GLU HG3 H 1 2.755 . . 2 . . . . 21 GLU HG3 . 16653 1 197 . 1 1 21 21 GLU CA C 13 57.15 . . 1 . . . . 21 GLU CA . 16653 1 198 . 1 1 21 21 GLU CB C 13 29.87 . . 1 . . . . 21 GLU CB . 16653 1 199 . 1 1 21 21 GLU CG C 13 36.77 . . 1 . . . . 21 GLU CG . 16653 1 200 . 1 1 21 21 GLU N N 15 120.8 . . 1 . . . . 21 GLU N . 16653 1 201 . 1 1 22 22 LYS H H 1 8.091 . . 1 . . . . 22 LYS H . 16653 1 202 . 1 1 22 22 LYS HA H 1 4.164 . . 1 . . . . 22 LYS HA . 16653 1 203 . 1 1 22 22 LYS HB2 H 1 1.75 . . 2 . . . . 22 LYS HB2 . 16653 1 204 . 1 1 22 22 LYS HB3 H 1 1.75 . . 2 . . . . 22 LYS HB3 . 16653 1 205 . 1 1 22 22 LYS HD2 H 1 1.675 . . 2 . . . . 22 LYS HD2 . 16653 1 206 . 1 1 22 22 LYS HD3 H 1 1.675 . . 2 . . . . 22 LYS HD3 . 16653 1 207 . 1 1 22 22 LYS HE2 H 1 2.912 . . 2 . . . . 22 LYS HE2 . 16653 1 208 . 1 1 22 22 LYS HE3 H 1 2.912 . . 2 . . . . 22 LYS HE3 . 16653 1 209 . 1 1 22 22 LYS HG2 H 1 1.363 . . 2 . . . . 22 LYS HG2 . 16653 1 210 . 1 1 22 22 LYS HG3 H 1 1.363 . . 2 . . . . 22 LYS HG3 . 16653 1 211 . 1 1 22 22 LYS CA C 13 57.15 . . 1 . . . . 22 LYS CA . 16653 1 212 . 1 1 22 22 LYS CB C 13 32.76 . . 1 . . . . 22 LYS CB . 16653 1 213 . 1 1 22 22 LYS CD C 13 28.89 . . 1 . . . . 22 LYS CD . 16653 1 214 . 1 1 22 22 LYS CE C 13 42.28 . . 1 . . . . 22 LYS CE . 16653 1 215 . 1 1 22 22 LYS CG C 13 24.79 . . 1 . . . . 22 LYS CG . 16653 1 216 . 1 1 22 22 LYS N N 15 120.7 . . 1 . . . . 22 LYS N . 16653 1 217 . 1 1 23 23 ASN H H 1 8.343 . . 1 . . . . 23 ASN H . 16653 1 218 . 1 1 23 23 ASN HA H 1 4.639 . . 1 . . . . 23 ASN HA . 16653 1 219 . 1 1 23 23 ASN HB2 H 1 2.784 . . 2 . . . . 23 ASN HB2 . 16653 1 220 . 1 1 23 23 ASN HB3 H 1 2.784 . . 2 . . . . 23 ASN HB3 . 16653 1 221 . 1 1 23 23 ASN CA C 13 53.42 . . 1 . . . . 23 ASN CA . 16653 1 222 . 1 1 23 23 ASN CB C 13 38.75 . . 1 . . . . 23 ASN CB . 16653 1 223 . 1 1 23 23 ASN N N 15 118.1 . . 1 . . . . 23 ASN N . 16653 1 224 . 1 1 24 24 GLY H H 1 8.252 . . 1 . . . . 24 GLY H . 16653 1 225 . 1 1 24 24 GLY HA2 H 1 3.883 . . 2 . . . . 24 GLY HA2 . 16653 1 226 . 1 1 24 24 GLY HA3 H 1 3.883 . . 2 . . . . 24 GLY HA3 . 16653 1 227 . 1 1 24 24 GLY CA C 13 45.57 . . 1 . . . . 24 GLY CA . 16653 1 228 . 1 1 24 24 GLY N N 15 108.5 . . 1 . . . . 24 GLY N . 16653 1 229 . 1 1 25 25 LYS H H 1 8.114 . . 1 . . . . 25 LYS H . 16653 1 230 . 1 1 25 25 LYS HA H 1 4.306 . . 1 . . . . 25 LYS HA . 16653 1 231 . 1 1 25 25 LYS HB2 H 1 1.711 . . 2 . . . . 25 LYS HB2 . 16653 1 232 . 1 1 25 25 LYS HB3 H 1 1.711 . . 2 . . . . 25 LYS HB3 . 16653 1 233 . 1 1 25 25 LYS HD2 H 1 1.564 . . 2 . . . . 25 LYS HD2 . 16653 1 234 . 1 1 25 25 LYS HD3 H 1 1.564 . . 2 . . . . 25 LYS HD3 . 16653 1 235 . 1 1 25 25 LYS HE2 H 1 2.874 . . 2 . . . . 25 LYS HE2 . 16653 1 236 . 1 1 25 25 LYS HE3 H 1 2.874 . . 2 . . . . 25 LYS HE3 . 16653 1 237 . 1 1 25 25 LYS HG2 H 1 1.312 . . 2 . . . . 25 LYS HG2 . 16653 1 238 . 1 1 25 25 LYS HG3 H 1 1.312 . . 2 . . . . 25 LYS HG3 . 16653 1 239 . 1 1 25 25 LYS CA C 13 56.22 . . 1 . . . . 25 LYS CA . 16653 1 240 . 1 1 25 25 LYS CB C 13 32.95 . . 1 . . . . 25 LYS CB . 16653 1 241 . 1 1 25 25 LYS CD C 13 28.89 . . 1 . . . . 25 LYS CD . 16653 1 242 . 1 1 25 25 LYS CE C 13 42.19 . . 1 . . . . 25 LYS CE . 16653 1 243 . 1 1 25 25 LYS CG C 13 24.71 . . 1 . . . . 25 LYS CG . 16653 1 244 . 1 1 25 25 LYS N N 15 120.4 . . 1 . . . . 25 LYS N . 16653 1 245 . 1 1 26 26 VAL H H 1 8.171 . . 1 . . . . 26 VAL H . 16653 1 246 . 1 1 26 26 VAL HA H 1 4.162 . . 1 . . . . 26 VAL HA . 16653 1 247 . 1 1 26 26 VAL HB H 1 2.018 . . 1 . . . . 26 VAL HB . 16653 1 248 . 1 1 26 26 VAL HG11 H 1 0.846 . . 2 . . . . 26 VAL MG1 . 16653 1 249 . 1 1 26 26 VAL HG12 H 1 0.846 . . 2 . . . . 26 VAL MG1 . 16653 1 250 . 1 1 26 26 VAL HG13 H 1 0.846 . . 2 . . . . 26 VAL MG1 . 16653 1 251 . 1 1 26 26 VAL HG21 H 1 0.846 . . 2 . . . . 26 VAL MG2 . 16653 1 252 . 1 1 26 26 VAL HG22 H 1 0.846 . . 2 . . . . 26 VAL MG2 . 16653 1 253 . 1 1 26 26 VAL HG23 H 1 0.846 . . 2 . . . . 26 VAL MG2 . 16653 1 254 . 1 1 26 26 VAL CA C 13 62.15 . . 1 . . . . 26 VAL CA . 16653 1 255 . 1 1 26 26 VAL CB C 13 32.85 . . 1 . . . . 26 VAL CB . 16653 1 256 . 1 1 26 26 VAL CG1 C 13 21.08 . . 2 . . . . 26 VAL CG1 . 16653 1 257 . 1 1 26 26 VAL CG2 C 13 21.08 . . 2 . . . . 26 VAL CG2 . 16653 1 258 . 1 1 26 26 VAL N N 15 120.7 . . 1 . . . . 26 VAL N . 16653 1 259 . 1 1 27 27 THR H H 1 8.293 . . 1 . . . . 27 THR H . 16653 1 260 . 1 1 27 27 THR HA H 1 4.444 . . 1 . . . . 27 THR HA . 16653 1 261 . 1 1 27 27 THR HB H 1 4.077 . . 1 . . . . 27 THR HB . 16653 1 262 . 1 1 27 27 THR HG21 H 1 1.071 . . 1 . . . . 27 THR MG . 16653 1 263 . 1 1 27 27 THR HG22 H 1 1.071 . . 1 . . . . 27 THR MG . 16653 1 264 . 1 1 27 27 THR HG23 H 1 1.071 . . 1 . . . . 27 THR MG . 16653 1 265 . 1 1 27 27 THR CA C 13 61.21 . . 1 . . . . 27 THR CA . 16653 1 266 . 1 1 27 27 THR CB C 13 70.01 . . 1 . . . . 27 THR CB . 16653 1 267 . 1 1 27 27 THR CG2 C 13 22.25 . . 1 . . . . 27 THR CG2 . 16653 1 268 . 1 1 27 27 THR N N 15 118 . . 1 . . . . 27 THR N . 16653 1 269 . 1 1 28 28 ARG H H 1 8.347 . . 1 . . . . 28 ARG H . 16653 1 270 . 1 1 28 28 ARG CA C 13 53.09 . . 1 . . . . 28 ARG CA . 16653 1 271 . 1 1 28 28 ARG CB C 13 31.11 . . 1 . . . . 28 ARG CB . 16653 1 272 . 1 1 28 28 ARG N N 15 123 . . 1 . . . . 28 ARG N . 16653 1 273 . 1 1 29 29 PRO HA H 1 4.53 . . 1 . . . . 29 PRO HA . 16653 1 274 . 1 1 29 29 PRO HB2 H 1 2.017 . . 2 . . . . 29 PRO HB2 . 16653 1 275 . 1 1 29 29 PRO HB3 H 1 1.737 . . 2 . . . . 29 PRO HB3 . 16653 1 276 . 1 1 29 29 PRO HD2 H 1 3.603 . . 2 . . . . 29 PRO HD2 . 16653 1 277 . 1 1 29 29 PRO HD3 H 1 3.603 . . 2 . . . . 29 PRO HD3 . 16653 1 278 . 1 1 29 29 PRO HG2 H 1 1.574 . . 2 . . . . 29 PRO HG2 . 16653 1 279 . 1 1 29 29 PRO HG3 H 1 1.574 . . 2 . . . . 29 PRO HG3 . 16653 1 280 . 1 1 29 29 PRO CA C 13 62.69 . . 1 . . . . 29 PRO CA . 16653 1 281 . 1 1 29 29 PRO CB C 13 33.55 . . 1 . . . . 29 PRO CB . 16653 1 282 . 1 1 29 29 PRO CD C 13 50.87 . . 1 . . . . 29 PRO CD . 16653 1 283 . 1 1 29 29 PRO CG C 13 27.65 . . 1 . . . . 29 PRO CG . 16653 1 284 . 1 1 30 30 ALA H H 1 7.621 . . 1 . . . . 30 ALA H . 16653 1 285 . 1 1 30 30 ALA HA H 1 4.545 . . 1 . . . . 30 ALA HA . 16653 1 286 . 1 1 30 30 ALA HB1 H 1 1.159 . . 1 . . . . 30 ALA MB . 16653 1 287 . 1 1 30 30 ALA HB2 H 1 1.159 . . 1 . . . . 30 ALA MB . 16653 1 288 . 1 1 30 30 ALA HB3 H 1 1.159 . . 1 . . . . 30 ALA MB . 16653 1 289 . 1 1 30 30 ALA CA C 13 50.74 . . 1 . . . . 30 ALA CA . 16653 1 290 . 1 1 30 30 ALA CB C 13 22.51 . . 1 . . . . 30 ALA CB . 16653 1 291 . 1 1 30 30 ALA N N 15 121 . . 1 . . . . 30 ALA N . 16653 1 292 . 1 1 31 31 LEU H H 1 8.724 . . 1 . . . . 31 LEU H . 16653 1 293 . 1 1 31 31 LEU HA H 1 4.545 . . 1 . . . . 31 LEU HA . 16653 1 294 . 1 1 31 31 LEU HB2 H 1 1.463 . . 2 . . . . 31 LEU HB2 . 16653 1 295 . 1 1 31 31 LEU HB3 H 1 1.463 . . 2 . . . . 31 LEU HB3 . 16653 1 296 . 1 1 31 31 LEU HD11 H 1 0.659 . . 2 . . . . 31 LEU MD1 . 16653 1 297 . 1 1 31 31 LEU HD12 H 1 0.659 . . 2 . . . . 31 LEU MD1 . 16653 1 298 . 1 1 31 31 LEU HD13 H 1 0.659 . . 2 . . . . 31 LEU MD1 . 16653 1 299 . 1 1 31 31 LEU HD21 H 1 0.659 . . 2 . . . . 31 LEU MD2 . 16653 1 300 . 1 1 31 31 LEU HD22 H 1 0.659 . . 2 . . . . 31 LEU MD2 . 16653 1 301 . 1 1 31 31 LEU HD23 H 1 0.659 . . 2 . . . . 31 LEU MD2 . 16653 1 302 . 1 1 31 31 LEU HG H 1 0.767 . . 1 . . . . 31 LEU HG . 16653 1 303 . 1 1 31 31 LEU CA C 13 55.58 . . 1 . . . . 31 LEU CA . 16653 1 304 . 1 1 31 31 LEU CB C 13 44.38 . . 1 . . . . 31 LEU CB . 16653 1 305 . 1 1 31 31 LEU CD1 C 13 24.61 . . 2 . . . . 31 LEU CD1 . 16653 1 306 . 1 1 31 31 LEU CD2 C 13 24.61 . . 2 . . . . 31 LEU CD2 . 16653 1 307 . 1 1 31 31 LEU CG C 13 27.05 . . 1 . . . . 31 LEU CG . 16653 1 308 . 1 1 31 31 LEU N N 15 118.7 . . 1 . . . . 31 LEU N . 16653 1 309 . 1 1 32 32 GLY H H 1 8.39 . . 1 . . . . 32 GLY H . 16653 1 310 . 1 1 32 32 GLY HA2 H 1 4.043 . . 2 . . . . 32 GLY HA2 . 16653 1 311 . 1 1 32 32 GLY HA3 H 1 3.845 . . 2 . . . . 32 GLY HA3 . 16653 1 312 . 1 1 32 32 GLY CA C 13 46.44 . . 1 . . . . 32 GLY CA . 16653 1 313 . 1 1 32 32 GLY N N 15 104.32 . . 1 . . . . 32 GLY N . 16653 1 314 . 1 1 33 33 ILE H H 1 7.421 . . 1 . . . . 33 ILE H . 16653 1 315 . 1 1 33 33 ILE HA H 1 5.21 . . 1 . . . . 33 ILE HA . 16653 1 316 . 1 1 33 33 ILE HB H 1 1.87 . . 1 . . . . 33 ILE HB . 16653 1 317 . 1 1 33 33 ILE HD11 H 1 0.646 . . 1 . . . . 33 ILE MD . 16653 1 318 . 1 1 33 33 ILE HD12 H 1 0.646 . . 1 . . . . 33 ILE MD . 16653 1 319 . 1 1 33 33 ILE HD13 H 1 0.646 . . 1 . . . . 33 ILE MD . 16653 1 320 . 1 1 33 33 ILE HG12 H 1 0.736 . . 2 . . . . 33 ILE HG12 . 16653 1 321 . 1 1 33 33 ILE HG13 H 1 0.736 . . 2 . . . . 33 ILE HG13 . 16653 1 322 . 1 1 33 33 ILE HG21 H 1 0.736 . . 1 . . . . 33 ILE MG . 16653 1 323 . 1 1 33 33 ILE HG22 H 1 0.736 . . 1 . . . . 33 ILE MG . 16653 1 324 . 1 1 33 33 ILE HG23 H 1 0.736 . . 1 . . . . 33 ILE MG . 16653 1 325 . 1 1 33 33 ILE CA C 13 58.65 . . 1 . . . . 33 ILE CA . 16653 1 326 . 1 1 33 33 ILE CB C 13 41.28 . . 1 . . . . 33 ILE CB . 16653 1 327 . 1 1 33 33 ILE CD1 C 13 14.85 . . 1 . . . . 33 ILE CD1 . 16653 1 328 . 1 1 33 33 ILE CG1 C 13 24.59 . . 1 . . . . 33 ILE CG1 . 16653 1 329 . 1 1 33 33 ILE CG2 C 13 18.81 . . 1 . . . . 33 ILE CG2 . 16653 1 330 . 1 1 33 33 ILE N N 15 109.6 . . 1 . . . . 33 ILE N . 16653 1 331 . 1 1 34 34 GLN H H 1 7.901 . . 1 . . . . 34 GLN H . 16653 1 332 . 1 1 34 34 GLN HA H 1 4.654 . . 1 . . . . 34 GLN HA . 16653 1 333 . 1 1 34 34 GLN HB2 H 1 1.947 . . 2 . . . . 34 GLN HB2 . 16653 1 334 . 1 1 34 34 GLN HB3 H 1 1.866 . . 2 . . . . 34 GLN HB3 . 16653 1 335 . 1 1 34 34 GLN HG2 H 1 2.344 . . 2 . . . . 34 GLN HG2 . 16653 1 336 . 1 1 34 34 GLN HG3 H 1 2.177 . . 2 . . . . 34 GLN HG3 . 16653 1 337 . 1 1 34 34 GLN CA C 13 54.85 . . 1 . . . . 34 GLN CA . 16653 1 338 . 1 1 34 34 GLN CB C 13 30.32 . . 1 . . . . 34 GLN CB . 16653 1 339 . 1 1 34 34 GLN CG C 13 33.83 . . 1 . . . . 34 GLN CG . 16653 1 340 . 1 1 34 34 GLN N N 15 120.3 . . 1 . . . . 34 GLN N . 16653 1 341 . 1 1 35 35 MET H H 1 9.164 . . 1 . . . . 35 MET H . 16653 1 342 . 1 1 35 35 MET HA H 1 5.193 . . 1 . . . . 35 MET HA . 16653 1 343 . 1 1 35 35 MET HB2 H 1 1.922 . . 2 . . . . 35 MET HB2 . 16653 1 344 . 1 1 35 35 MET HB3 H 1 1.599 . . 2 . . . . 35 MET HB3 . 16653 1 345 . 1 1 35 35 MET HG2 H 1 2.310 . . 2 . . . . 35 MET HG2 . 16653 1 346 . 1 1 35 35 MET HG3 H 1 2.151 . . 2 . . . . 35 MET HG3 . 16653 1 347 . 1 1 35 35 MET CA C 13 55.32 . . 1 . . . . 35 MET CA . 16653 1 348 . 1 1 35 35 MET CB C 13 37.88 . . 1 . . . . 35 MET CB . 16653 1 349 . 1 1 35 35 MET CG C 13 31.65 . . 1 . . . . 35 MET CG . 16653 1 350 . 1 1 35 35 MET N N 15 123.1 . . 1 . . . . 35 MET N . 16653 1 351 . 1 1 36 36 VAL H H 1 8.563 . . 1 . . . . 36 VAL H . 16653 1 352 . 1 1 36 36 VAL HA H 1 4.358 . . 1 . . . . 36 VAL HA . 16653 1 353 . 1 1 36 36 VAL HB H 1 1.824 . . 1 . . . . 36 VAL HB . 16653 1 354 . 1 1 36 36 VAL HG11 H 1 0.87 . . 2 . . . . 36 VAL MG1 . 16653 1 355 . 1 1 36 36 VAL HG12 H 1 0.87 . . 2 . . . . 36 VAL MG1 . 16653 1 356 . 1 1 36 36 VAL HG13 H 1 0.87 . . 2 . . . . 36 VAL MG1 . 16653 1 357 . 1 1 36 36 VAL HG21 H 1 0.87 . . 2 . . . . 36 VAL MG2 . 16653 1 358 . 1 1 36 36 VAL HG22 H 1 0.87 . . 2 . . . . 36 VAL MG2 . 16653 1 359 . 1 1 36 36 VAL HG23 H 1 0.87 . . 2 . . . . 36 VAL MG2 . 16653 1 360 . 1 1 36 36 VAL CA C 13 60.56 . . 1 . . . . 36 VAL CA . 16653 1 361 . 1 1 36 36 VAL CB C 13 35.76 . . 1 . . . . 36 VAL CB . 16653 1 362 . 1 1 36 36 VAL CG1 C 13 21.2 . . 2 . . . . 36 VAL CG1 . 16653 1 363 . 1 1 36 36 VAL CG2 C 13 21.2 . . 2 . . . . 36 VAL CG2 . 16653 1 364 . 1 1 36 36 VAL N N 15 119.5 . . 1 . . . . 36 VAL N . 16653 1 365 . 1 1 37 37 ASN H H 1 9.087 . . 1 . . . . 37 ASN H . 16653 1 366 . 1 1 37 37 ASN HA H 1 4.831 . . 1 . . . . 37 ASN HA . 16653 1 367 . 1 1 37 37 ASN HB2 H 1 3.106 . . 2 . . . . 37 ASN HB2 . 16653 1 368 . 1 1 37 37 ASN HB3 H 1 2.805 . . 2 . . . . 37 ASN HB3 . 16653 1 369 . 1 1 37 37 ASN CA C 13 53.98 . . 1 . . . . 37 ASN CA . 16653 1 370 . 1 1 37 37 ASN CB C 13 37.85 . . 1 . . . . 37 ASN CB . 16653 1 371 . 1 1 37 37 ASN N N 15 126.8 . . 1 . . . . 37 ASN N . 16653 1 372 . 1 1 38 38 LEU H H 1 8.569 . . 1 . . . . 38 LEU H . 16653 1 373 . 1 1 38 38 LEU HA H 1 3.89 . . 1 . . . . 38 LEU HA . 16653 1 374 . 1 1 38 38 LEU HB2 H 1 1.606 . . 2 . . . . 38 LEU HB2 . 16653 1 375 . 1 1 38 38 LEU HB3 H 1 1.022 . . 2 . . . . 38 LEU HB3 . 16653 1 376 . 1 1 38 38 LEU HD11 H 1 0.594 . . 2 . . . . 38 LEU MD1 . 16653 1 377 . 1 1 38 38 LEU HD12 H 1 0.594 . . 2 . . . . 38 LEU MD1 . 16653 1 378 . 1 1 38 38 LEU HD13 H 1 0.594 . . 2 . . . . 38 LEU MD1 . 16653 1 379 . 1 1 38 38 LEU HD21 H 1 0.403 . . 2 . . . . 38 LEU MD2 . 16653 1 380 . 1 1 38 38 LEU HD22 H 1 0.403 . . 2 . . . . 38 LEU MD2 . 16653 1 381 . 1 1 38 38 LEU HD23 H 1 0.403 . . 2 . . . . 38 LEU MD2 . 16653 1 382 . 1 1 38 38 LEU HG H 1 1.387 . . 1 . . . . 38 LEU HG . 16653 1 383 . 1 1 38 38 LEU CA C 13 58.26 . . 1 . . . . 38 LEU CA . 16653 1 384 . 1 1 38 38 LEU CB C 13 42.31 . . 1 . . . . 38 LEU CB . 16653 1 385 . 1 1 38 38 LEU CD1 C 13 24.96 . . 2 . . . . 38 LEU CD1 . 16653 1 386 . 1 1 38 38 LEU CD2 C 13 24.96 . . 2 . . . . 38 LEU CD2 . 16653 1 387 . 1 1 38 38 LEU CG C 13 27.02 . . 1 . . . . 38 LEU CG . 16653 1 388 . 1 1 38 38 LEU N N 15 126.1 . . 1 . . . . 38 LEU N . 16653 1 389 . 1 1 39 39 SER H H 1 8.28 . . 1 . . . . 39 SER H . 16653 1 390 . 1 1 39 39 SER HA H 1 4.211 . . 1 . . . . 39 SER HA . 16653 1 391 . 1 1 39 39 SER HB2 H 1 4.211 . . 2 . . . . 39 SER HB2 . 16653 1 392 . 1 1 39 39 SER HB3 H 1 4.211 . . 2 . . . . 39 SER HB3 . 16653 1 393 . 1 1 39 39 SER CA C 13 59.66 . . 1 . . . . 39 SER CA . 16653 1 394 . 1 1 39 39 SER CB C 13 63.10 . . 1 . . . . 39 SER CB . 16653 1 395 . 1 1 39 39 SER N N 15 109.5 . . 1 . . . . 39 SER N . 16653 1 396 . 1 1 40 40 ASN H H 1 7.922 . . 1 . . . . 40 ASN H . 16653 1 397 . 1 1 40 40 ASN HA H 1 4.986 . . 1 . . . . 40 ASN HA . 16653 1 398 . 1 1 40 40 ASN HB2 H 1 3.103 . . 2 . . . . 40 ASN HB2 . 16653 1 399 . 1 1 40 40 ASN HB3 H 1 2.658 . . 2 . . . . 40 ASN HB3 . 16653 1 400 . 1 1 40 40 ASN CA C 13 53.28 . . 1 . . . . 40 ASN CA . 16653 1 401 . 1 1 40 40 ASN CB C 13 40 . . 1 . . . . 40 ASN CB . 16653 1 402 . 1 1 40 40 ASN N N 15 119 . . 1 . . . . 40 ASN N . 16653 1 403 . 1 1 41 41 VAL H H 1 7.395 . . 1 . . . . 41 VAL H . 16653 1 404 . 1 1 41 41 VAL HA H 1 4.384 . . 1 . . . . 41 VAL HA . 16653 1 405 . 1 1 41 41 VAL HB H 1 2.328 . . 1 . . . . 41 VAL HB . 16653 1 406 . 1 1 41 41 VAL HG11 H 1 0.933 . . 2 . . . . 41 VAL MG1 . 16653 1 407 . 1 1 41 41 VAL HG12 H 1 0.933 . . 2 . . . . 41 VAL MG1 . 16653 1 408 . 1 1 41 41 VAL HG13 H 1 0.933 . . 2 . . . . 41 VAL MG1 . 16653 1 409 . 1 1 41 41 VAL HG21 H 1 0.933 . . 2 . . . . 41 VAL MG2 . 16653 1 410 . 1 1 41 41 VAL HG22 H 1 0.933 . . 2 . . . . 41 VAL MG2 . 16653 1 411 . 1 1 41 41 VAL HG23 H 1 0.933 . . 2 . . . . 41 VAL MG2 . 16653 1 412 . 1 1 41 41 VAL CA C 13 61.26 . . 1 . . . . 41 VAL CA . 16653 1 413 . 1 1 41 41 VAL CB C 13 32.45 . . 1 . . . . 41 VAL CB . 16653 1 414 . 1 1 41 41 VAL CG1 C 13 22.35 . . 2 . . . . 41 VAL CG1 . 16653 1 415 . 1 1 41 41 VAL CG2 C 13 21.35 . . 2 . . . . 41 VAL CG2 . 16653 1 416 . 1 1 41 41 VAL N N 15 117.9 . . 1 . . . . 41 VAL N . 16653 1 417 . 1 1 42 42 SER H H 1 9.022 . . 1 . . . . 42 SER H . 16653 1 418 . 1 1 42 42 SER HA H 1 4.478 . . 1 . . . . 42 SER HA . 16653 1 419 . 1 1 42 42 SER HB2 H 1 4.228 . . 2 . . . . 42 SER HB2 . 16653 1 420 . 1 1 42 42 SER HB3 H 1 3.984 . . 2 . . . . 42 SER HB3 . 16653 1 421 . 1 1 42 42 SER CA C 13 57.76 . . 1 . . . . 42 SER CA . 16653 1 422 . 1 1 42 42 SER CB C 13 65.37 . . 1 . . . . 42 SER CB . 16653 1 423 . 1 1 42 42 SER N N 15 120.5 . . 1 . . . . 42 SER N . 16653 1 424 . 1 1 43 43 THR H H 1 8.781 . . 1 . . . . 43 THR H . 16653 1 425 . 1 1 43 43 THR HA H 1 4.114 . . 1 . . . . 43 THR HA . 16653 1 426 . 1 1 43 43 THR HB H 1 3.873 . . 1 . . . . 43 THR HB . 16653 1 427 . 1 1 43 43 THR HG21 H 1 1.238 . . 1 . . . . 43 THR MG . 16653 1 428 . 1 1 43 43 THR HG22 H 1 1.238 . . 1 . . . . 43 THR MG . 16653 1 429 . 1 1 43 43 THR HG23 H 1 1.238 . . 1 . . . . 43 THR MG . 16653 1 430 . 1 1 43 43 THR CA C 13 66.05 . . 1 . . . . 43 THR CA . 16653 1 431 . 1 1 43 43 THR CB C 13 68.46 . . 1 . . . . 43 THR CB . 16653 1 432 . 1 1 43 43 THR CG2 C 13 22.36 . . 1 . . . . 43 THR CG2 . 16653 1 433 . 1 1 43 43 THR N N 15 116.3 . . 1 . . . . 43 THR N . 16653 1 434 . 1 1 44 44 SER H H 1 8.244 . . 1 . . . . 44 SER H . 16653 1 435 . 1 1 44 44 SER HA H 1 4.114 . . 1 . . . . 44 SER HA . 16653 1 436 . 1 1 44 44 SER HB2 H 1 3.78 . . 2 . . . . 44 SER HB2 . 16653 1 437 . 1 1 44 44 SER HB3 H 1 3.78 . . 2 . . . . 44 SER HB3 . 16653 1 438 . 1 1 44 44 SER CA C 13 61.01 . . 1 . . . . 44 SER CA . 16653 1 439 . 1 1 44 44 SER CB C 13 61.01 . . 1 . . . . 44 SER CB . 16653 1 440 . 1 1 44 44 SER N N 15 116 . . 1 . . . . 44 SER N . 16653 1 441 . 1 1 45 45 ASP H H 1 7.733 . . 1 . . . . 45 ASP H . 16653 1 442 . 1 1 45 45 ASP HA H 1 4.37 . . 1 . . . . 45 ASP HA . 16653 1 443 . 1 1 45 45 ASP HB2 H 1 2.866 . . 2 . . . . 45 ASP HB2 . 16653 1 444 . 1 1 45 45 ASP HB3 H 1 2.866 . . 2 . . . . 45 ASP HB3 . 16653 1 445 . 1 1 45 45 ASP CA C 13 57.04 . . 1 . . . . 45 ASP CA . 16653 1 446 . 1 1 45 45 ASP CB C 13 40.52 . . 1 . . . . 45 ASP CB . 16653 1 447 . 1 1 45 45 ASP N N 15 123.4 . . 1 . . . . 45 ASP N . 16653 1 448 . 1 1 46 46 ILE H H 1 8.054 . . 1 . . . . 46 ILE H . 16653 1 449 . 1 1 46 46 ILE HA H 1 3.533 . . 1 . . . . 46 ILE HA . 16653 1 450 . 1 1 46 46 ILE HB H 1 1.903 . . 1 . . . . 46 ILE HB . 16653 1 451 . 1 1 46 46 ILE HD11 H 1 0.798 . . 1 . . . . 46 ILE MD . 16653 1 452 . 1 1 46 46 ILE HD12 H 1 0.798 . . 1 . . . . 46 ILE MD . 16653 1 453 . 1 1 46 46 ILE HD13 H 1 0.798 . . 1 . . . . 46 ILE MD . 16653 1 454 . 1 1 46 46 ILE HG12 H 1 1.636 . . 2 . . . . 46 ILE HG12 . 16653 1 455 . 1 1 46 46 ILE HG13 H 1 1.317 . . 2 . . . . 46 ILE HG13 . 16653 1 456 . 1 1 46 46 ILE HG21 H 1 1.051 . . 1 . . . . 46 ILE MG . 16653 1 457 . 1 1 46 46 ILE HG22 H 1 1.051 . . 1 . . . . 46 ILE MG . 16653 1 458 . 1 1 46 46 ILE HG23 H 1 1.051 . . 1 . . . . 46 ILE MG . 16653 1 459 . 1 1 46 46 ILE CA C 13 64.67 . . 1 . . . . 46 ILE CA . 16653 1 460 . 1 1 46 46 ILE CB C 13 37.34 . . 1 . . . . 46 ILE CB . 16653 1 461 . 1 1 46 46 ILE CD1 C 13 12.98 . . 1 . . . . 46 ILE CD1 . 16653 1 462 . 1 1 46 46 ILE CG1 C 13 29.35 . . 1 . . . . 46 ILE CG1 . 16653 1 463 . 1 1 46 46 ILE CG2 C 13 17.7 . . 1 . . . . 46 ILE CG2 . 16653 1 464 . 1 1 46 46 ILE N N 15 120.8 . . 1 . . . . 46 ILE N . 16653 1 465 . 1 1 47 47 ARG H H 1 7.796 . . 1 . . . . 47 ARG H . 16653 1 466 . 1 1 47 47 ARG HA H 1 4.069 . . 1 . . . . 47 ARG HA . 16653 1 467 . 1 1 47 47 ARG HB2 H 1 1.859 . . 2 . . . . 47 ARG HB2 . 16653 1 468 . 1 1 47 47 ARG HB3 H 1 1.859 . . 2 . . . . 47 ARG HB3 . 16653 1 469 . 1 1 47 47 ARG HD2 H 1 3.143 . . 2 . . . . 47 ARG HD2 . 16653 1 470 . 1 1 47 47 ARG HD3 H 1 3.143 . . 2 . . . . 47 ARG HD3 . 16653 1 471 . 1 1 47 47 ARG HG2 H 1 1.784 . . 2 . . . . 47 ARG HG2 . 16653 1 472 . 1 1 47 47 ARG HG3 H 1 1.659 . . 2 . . . . 47 ARG HG3 . 16653 1 473 . 1 1 47 47 ARG CA C 13 58.7 . . 1 . . . . 47 ARG CA . 16653 1 474 . 1 1 47 47 ARG CB C 13 29.91 . . 1 . . . . 47 ARG CB . 16653 1 475 . 1 1 47 47 ARG CD C 13 43.12 . . 1 . . . . 47 ARG CD . 16653 1 476 . 1 1 47 47 ARG CG C 13 27.07 . . 1 . . . . 47 ARG CG . 16653 1 477 . 1 1 47 47 ARG N N 15 119.6 . . 1 . . . . 47 ARG N . 16653 1 478 . 1 1 48 48 ARG H H 1 7.598 . . 1 . . . . 48 ARG H . 16653 1 479 . 1 1 48 48 ARG HA H 1 4.002 . . 1 . . . . 48 ARG HA . 16653 1 480 . 1 1 48 48 ARG HB2 H 1 1.758 . . 2 . . . . 48 ARG HB2 . 16653 1 481 . 1 1 48 48 ARG HB3 H 1 1.758 . . 2 . . . . 48 ARG HB3 . 16653 1 482 . 1 1 48 48 ARG HD2 H 1 3.043 . . 2 . . . . 48 ARG HD2 . 16653 1 483 . 1 1 48 48 ARG HD3 H 1 3.043 . . 2 . . . . 48 ARG HD3 . 16653 1 484 . 1 1 48 48 ARG HG2 H 1 1.524 . . 2 . . . . 48 ARG HG2 . 16653 1 485 . 1 1 48 48 ARG HG3 H 1 1.524 . . 2 . . . . 48 ARG HG3 . 16653 1 486 . 1 1 48 48 ARG CA C 13 57.94 . . 1 . . . . 48 ARG CA . 16653 1 487 . 1 1 48 48 ARG CB C 13 30.1 . . 1 . . . . 48 ARG CB . 16653 1 488 . 1 1 48 48 ARG CD C 13 42.96 . . 1 . . . . 48 ARG CD . 16653 1 489 . 1 1 48 48 ARG CG C 13 27.47 . . 1 . . . . 48 ARG CG . 16653 1 490 . 1 1 48 48 ARG N N 15 118.5 . . 1 . . . . 48 ARG N . 16653 1 491 . 1 1 49 49 LEU H H 1 7.604 . . 1 . . . . 49 LEU H . 16653 1 492 . 1 1 49 49 LEU HA H 1 4.112 . . 1 . . . . 49 LEU HA . 16653 1 493 . 1 1 49 49 LEU HB2 H 1 1.850 . . 2 . . . . 49 LEU HB2 . 16653 1 494 . 1 1 49 49 LEU HB3 H 1 1.472 . . 2 . . . . 49 LEU HB3 . 16653 1 495 . 1 1 49 49 LEU HD11 H 1 0.766 . . 2 . . . . 49 LEU MD1 . 16653 1 496 . 1 1 49 49 LEU HD12 H 1 0.766 . . 2 . . . . 49 LEU MD1 . 16653 1 497 . 1 1 49 49 LEU HD13 H 1 0.766 . . 2 . . . . 49 LEU MD1 . 16653 1 498 . 1 1 49 49 LEU HD21 H 1 0.766 . . 2 . . . . 49 LEU MD2 . 16653 1 499 . 1 1 49 49 LEU HD22 H 1 0.766 . . 2 . . . . 49 LEU MD2 . 16653 1 500 . 1 1 49 49 LEU HD23 H 1 0.766 . . 2 . . . . 49 LEU MD2 . 16653 1 501 . 1 1 49 49 LEU HG H 1 1.472 . . 1 . . . . 49 LEU HG . 16653 1 502 . 1 1 49 49 LEU CA C 13 55.22 . . 1 . . . . 49 LEU CA . 16653 1 503 . 1 1 49 49 LEU CB C 13 42.61 . . 1 . . . . 49 LEU CB . 16653 1 504 . 1 1 49 49 LEU CD1 C 13 22.64 . . 2 . . . . 49 LEU CD1 . 16653 1 505 . 1 1 49 49 LEU CD2 C 13 22.64 . . 2 . . . . 49 LEU CD2 . 16653 1 506 . 1 1 49 49 LEU CG C 13 25.8 . . 1 . . . . 49 LEU CG . 16653 1 507 . 1 1 49 49 LEU N N 15 117.4 . . 1 . . . . 49 LEU N . 16653 1 508 . 1 1 50 50 ASN H H 1 7.764 . . 1 . . . . 50 ASN H . 16653 1 509 . 1 1 50 50 ASN HA H 1 4.315 . . 1 . . . . 50 ASN HA . 16653 1 510 . 1 1 50 50 ASN HB2 H 1 3.086 . . 2 . . . . 50 ASN HB2 . 16653 1 511 . 1 1 50 50 ASN HB3 H 1 2.527 . . 2 . . . . 50 ASN HB3 . 16653 1 512 . 1 1 50 50 ASN CA C 13 53.65 . . 1 . . . . 50 ASN CA . 16653 1 513 . 1 1 50 50 ASN CB C 13 36.66 . . 1 . . . . 50 ASN CB . 16653 1 514 . 1 1 50 50 ASN N N 15 115.2 . . 1 . . . . 50 ASN N . 16653 1 515 . 1 1 51 51 ILE H H 1 7.82 . . 1 . . . . 51 ILE H . 16653 1 516 . 1 1 51 51 ILE CA C 13 58.45 . . 1 . . . . 51 ILE CA . 16653 1 517 . 1 1 51 51 ILE CB C 13 38.31 . . 1 . . . . 51 ILE CB . 16653 1 518 . 1 1 51 51 ILE N N 15 114.5 . . 1 . . . . 51 ILE N . 16653 1 519 . 1 1 52 52 PRO HA H 1 4.431 . . 1 . . . . 52 PRO HA . 16653 1 520 . 1 1 52 52 PRO HB2 H 1 2.33 . . 2 . . . . 52 PRO HB2 . 16653 1 521 . 1 1 52 52 PRO HB3 H 1 1.954 . . 2 . . . . 52 PRO HB3 . 16653 1 522 . 1 1 52 52 PRO HD2 H 1 3.558 . . 2 . . . . 52 PRO HD2 . 16653 1 523 . 1 1 52 52 PRO HD3 H 1 3.558 . . 2 . . . . 52 PRO HD3 . 16653 1 524 . 1 1 52 52 PRO HG2 H 1 1.954 . . 2 . . . . 52 PRO HG2 . 16653 1 525 . 1 1 52 52 PRO HG3 H 1 1.954 . . 2 . . . . 52 PRO HG3 . 16653 1 526 . 1 1 52 52 PRO CA C 13 62.55 . . 1 . . . . 52 PRO CA . 16653 1 527 . 1 1 52 52 PRO CB C 13 32.31 . . 1 . . . . 52 PRO CB . 16653 1 528 . 1 1 52 52 PRO CD C 13 50.5 . . 1 . . . . 52 PRO CD . 16653 1 529 . 1 1 52 52 PRO CG C 13 27.75 . . 1 . . . . 52 PRO CG . 16653 1 530 . 1 1 53 53 SER H H 1 8.645 . . 1 . . . . 53 SER H . 16653 1 531 . 1 1 53 53 SER HA H 1 4.00 . . 1 . . . . 53 SER HA . 16653 1 532 . 1 1 53 53 SER HB2 H 1 3.838 . . 2 . . . . 53 SER HB2 . 16653 1 533 . 1 1 53 53 SER HB3 H 1 3.838 . . 2 . . . . 53 SER HB3 . 16653 1 534 . 1 1 53 53 SER CA C 13 60.58 . . 1 . . . . 53 SER CA . 16653 1 535 . 1 1 53 53 SER CB C 13 63.32 . . 1 . . . . 53 SER CB . 16653 1 536 . 1 1 53 53 SER N N 15 114.9 . . 1 . . . . 53 SER N . 16653 1 537 . 1 1 54 54 ASN H H 1 8.068 . . 1 . . . . 54 ASN H . 16653 1 538 . 1 1 54 54 ASN HA H 1 4.493 . . 1 . . . . 54 ASN HA . 16653 1 539 . 1 1 54 54 ASN HB2 H 1 2.933 . . 2 . . . . 54 ASN HB2 . 16653 1 540 . 1 1 54 54 ASN HB3 H 1 2.586 . . 2 . . . . 54 ASN HB3 . 16653 1 541 . 1 1 54 54 ASN CA C 13 53.4 . . 1 . . . . 54 ASN CA . 16653 1 542 . 1 1 54 54 ASN CB C 13 36.98 . . 1 . . . . 54 ASN CB . 16653 1 543 . 1 1 54 54 ASN N N 15 114.7 . . 1 . . . . 54 ASN N . 16653 1 544 . 1 1 55 55 VAL H H 1 7.6 . . 1 . . . . 55 VAL H . 16653 1 545 . 1 1 55 55 VAL HA H 1 4.008 . . 1 . . . . 55 VAL HA . 16653 1 546 . 1 1 55 55 VAL HB H 1 1.906 . . 1 . . . . 55 VAL HB . 16653 1 547 . 1 1 55 55 VAL HG11 H 1 0.579 . . 2 . . . . 55 VAL MG1 . 16653 1 548 . 1 1 55 55 VAL HG12 H 1 0.579 . . 2 . . . . 55 VAL MG1 . 16653 1 549 . 1 1 55 55 VAL HG13 H 1 0.579 . . 2 . . . . 55 VAL MG1 . 16653 1 550 . 1 1 55 55 VAL HG21 H 1 0.263 . . 2 . . . . 55 VAL MG2 . 16653 1 551 . 1 1 55 55 VAL HG22 H 1 0.263 . . 2 . . . . 55 VAL MG2 . 16653 1 552 . 1 1 55 55 VAL HG23 H 1 0.263 . . 2 . . . . 55 VAL MG2 . 16653 1 553 . 1 1 55 55 VAL CA C 13 62.61 . . 1 . . . . 55 VAL CA . 16653 1 554 . 1 1 55 55 VAL CB C 13 30.06 . . 1 . . . . 55 VAL CB . 16653 1 555 . 1 1 55 55 VAL CG1 C 13 21.01 . . 2 . . . . 55 VAL CG1 . 16653 1 556 . 1 1 55 55 VAL CG2 C 13 21.01 . . 2 . . . . 55 VAL CG2 . 16653 1 557 . 1 1 55 55 VAL N N 15 124.4 . . 1 . . . . 55 VAL N . 16653 1 558 . 1 1 56 56 THR H H 1 8.189 . . 1 . . . . 56 THR H . 16653 1 559 . 1 1 56 56 THR HA H 1 4.287 . . 1 . . . . 56 THR HA . 16653 1 560 . 1 1 56 56 THR HB H 1 4.287 . . 1 . . . . 56 THR HB . 16653 1 561 . 1 1 56 56 THR HG21 H 1 1.014 . . 1 . . . . 56 THR MG . 16653 1 562 . 1 1 56 56 THR HG22 H 1 1.014 . . 1 . . . . 56 THR MG . 16653 1 563 . 1 1 56 56 THR HG23 H 1 1.014 . . 1 . . . . 56 THR MG . 16653 1 564 . 1 1 56 56 THR CA C 13 60.66 . . 1 . . . . 56 THR CA . 16653 1 565 . 1 1 56 56 THR CB C 13 69.58 . . 1 . . . . 56 THR CB . 16653 1 566 . 1 1 56 56 THR CG2 C 13 21.63 . . 1 . . . . 56 THR CG2 . 16653 1 567 . 1 1 56 56 THR N N 15 113.9 . . 1 . . . . 56 THR N . 16653 1 568 . 1 1 57 57 SER H H 1 7.802 . . 1 . . . . 57 SER H . 16653 1 569 . 1 1 57 57 SER HA H 1 4.683 . . 1 . . . . 57 SER HA . 16653 1 570 . 1 1 57 57 SER HB2 H 1 3.922 . . 2 . . . . 57 SER HB2 . 16653 1 571 . 1 1 57 57 SER HB3 H 1 3.922 . . 2 . . . . 57 SER HB3 . 16653 1 572 . 1 1 57 57 SER CA C 13 57.4 . . 1 . . . . 57 SER CA . 16653 1 573 . 1 1 57 57 SER CB C 13 65.02 . . 1 . . . . 57 SER CB . 16653 1 574 . 1 1 57 57 SER N N 15 116.7 . . 1 . . . . 57 SER N . 16653 1 575 . 1 1 58 58 GLY H H 1 7.723 . . 1 . . . . 58 GLY H . 16653 1 576 . 1 1 58 58 GLY HA2 H 1 4.364 . . 2 . . . . 58 GLY HA2 . 16653 1 577 . 1 1 58 58 GLY HA3 H 1 3.976 . . 2 . . . . 58 GLY HA3 . 16653 1 578 . 1 1 58 58 GLY CA C 13 44.28 . . 1 . . . . 58 GLY CA . 16653 1 579 . 1 1 58 58 GLY N N 15 106.7 . . 1 . . . . 58 GLY N . 16653 1 580 . 1 1 59 59 VAL H H 1 8.455 . . 1 . . . . 59 VAL H . 16653 1 581 . 1 1 59 59 VAL HA H 1 4.656 . . 1 . . . . 59 VAL HA . 16653 1 582 . 1 1 59 59 VAL HB H 1 1.627 . . 1 . . . . 59 VAL HB . 16653 1 583 . 1 1 59 59 VAL HG11 H 1 0.759 . . 2 . . . . 59 VAL MG1 . 16653 1 584 . 1 1 59 59 VAL HG12 H 1 0.759 . . 2 . . . . 59 VAL MG1 . 16653 1 585 . 1 1 59 59 VAL HG13 H 1 0.759 . . 2 . . . . 59 VAL MG1 . 16653 1 586 . 1 1 59 59 VAL HG21 H 1 0.701 . . 2 . . . . 59 VAL MG2 . 16653 1 587 . 1 1 59 59 VAL HG22 H 1 0.701 . . 2 . . . . 59 VAL MG2 . 16653 1 588 . 1 1 59 59 VAL HG23 H 1 0.701 . . 2 . . . . 59 VAL MG2 . 16653 1 589 . 1 1 59 59 VAL CA C 13 60.26 . . 1 . . . . 59 VAL CA . 16653 1 590 . 1 1 59 59 VAL CB C 13 35.59 . . 1 . . . . 59 VAL CB . 16653 1 591 . 1 1 59 59 VAL CG1 C 13 21.71 . . 2 . . . . 59 VAL CG1 . 16653 1 592 . 1 1 59 59 VAL CG2 C 13 21.71 . . 2 . . . . 59 VAL CG2 . 16653 1 593 . 1 1 59 59 VAL N N 15 115.6 . . 1 . . . . 59 VAL N . 16653 1 594 . 1 1 60 60 ILE H H 1 9.504 . . 1 . . . . 60 ILE H . 16653 1 595 . 1 1 60 60 ILE HA H 1 4.671 . . 1 . . . . 60 ILE HA . 16653 1 596 . 1 1 60 60 ILE HB H 1 1.665 . . 1 . . . . 60 ILE HB . 16653 1 597 . 1 1 60 60 ILE HD11 H 1 0.739 . . 1 . . . . 60 ILE MD . 16653 1 598 . 1 1 60 60 ILE HD12 H 1 0.739 . . 1 . . . . 60 ILE MD . 16653 1 599 . 1 1 60 60 ILE HD13 H 1 0.739 . . 1 . . . . 60 ILE MD . 16653 1 600 . 1 1 60 60 ILE HG12 H 1 1.419 . . 2 . . . . 60 ILE HG12 . 16653 1 601 . 1 1 60 60 ILE HG13 H 1 1.419 . . 2 . . . . 60 ILE HG13 . 16653 1 602 . 1 1 60 60 ILE HG21 H 1 0.961 . . 1 . . . . 60 ILE MG . 16653 1 603 . 1 1 60 60 ILE HG22 H 1 0.961 . . 1 . . . . 60 ILE MG . 16653 1 604 . 1 1 60 60 ILE HG23 H 1 0.961 . . 1 . . . . 60 ILE MG . 16653 1 605 . 1 1 60 60 ILE CA C 13 60.12 . . 1 . . . . 60 ILE CA . 16653 1 606 . 1 1 60 60 ILE CB C 13 39.83 . . 1 . . . . 60 ILE CB . 16653 1 607 . 1 1 60 60 ILE CD1 C 13 16.04 . . 1 . . . . 60 ILE CD1 . 16653 1 608 . 1 1 60 60 ILE CG1 C 13 28.72 . . 1 . . . . 60 ILE CG1 . 16653 1 609 . 1 1 60 60 ILE CG2 C 13 17.402 . . 1 . . . . 60 ILE CG2 . 16653 1 610 . 1 1 60 60 ILE N N 15 126 . . 1 . . . . 60 ILE N . 16653 1 611 . 1 1 61 61 VAL H H 1 8.936 . . 1 . . . . 61 VAL H . 16653 1 612 . 1 1 61 61 VAL HA H 1 3.811 . . 1 . . . . 61 VAL HA . 16653 1 613 . 1 1 61 61 VAL HB H 1 2.256 . . 1 . . . . 61 VAL HB . 16653 1 614 . 1 1 61 61 VAL HG11 H 1 0.8575 . . 2 . . . . 61 VAL MG1 . 16653 1 615 . 1 1 61 61 VAL HG12 H 1 0.8575 . . 2 . . . . 61 VAL MG1 . 16653 1 616 . 1 1 61 61 VAL HG13 H 1 0.8575 . . 2 . . . . 61 VAL MG1 . 16653 1 617 . 1 1 61 61 VAL HG21 H 1 0.2935 . . 2 . . . . 61 VAL MG2 . 16653 1 618 . 1 1 61 61 VAL HG22 H 1 0.2935 . . 2 . . . . 61 VAL MG2 . 16653 1 619 . 1 1 61 61 VAL HG23 H 1 0.2935 . . 2 . . . . 61 VAL MG2 . 16653 1 620 . 1 1 61 61 VAL CA C 13 62.93 . . 1 . . . . 61 VAL CA . 16653 1 621 . 1 1 61 61 VAL CB C 13 31.22 . . 1 . . . . 61 VAL CB . 16653 1 622 . 1 1 61 61 VAL CG1 C 13 22.47 . . 2 . . . . 61 VAL CG1 . 16653 1 623 . 1 1 61 61 VAL CG2 C 13 22.47 . . 2 . . . . 61 VAL CG2 . 16653 1 624 . 1 1 61 61 VAL N N 15 126.8 . . 1 . . . . 61 VAL N . 16653 1 625 . 1 1 62 62 ARG H H 1 9.037 . . 1 . . . . 62 ARG H . 16653 1 626 . 1 1 62 62 ARG HA H 1 4.15 . . 1 . . . . 62 ARG HA . 16653 1 627 . 1 1 62 62 ARG HB2 H 1 1.595 . . 2 . . . . 62 ARG HB2 . 16653 1 628 . 1 1 62 62 ARG HB3 H 1 1.436 . . 2 . . . . 62 ARG HB3 . 16653 1 629 . 1 1 62 62 ARG HD2 H 1 2.958 . . 2 . . . . 62 ARG HD2 . 16653 1 630 . 1 1 62 62 ARG HD3 H 1 2.958 . . 2 . . . . 62 ARG HD3 . 16653 1 631 . 1 1 62 62 ARG HG2 H 1 1.436 . . 2 . . . . 62 ARG HG2 . 16653 1 632 . 1 1 62 62 ARG HG3 H 1 1.436 . . 2 . . . . 62 ARG HG3 . 16653 1 633 . 1 1 62 62 ARG CA C 13 56.53 . . 1 . . . . 62 ARG CA . 16653 1 634 . 1 1 62 62 ARG CB C 13 31.54 . . 1 . . . . 62 ARG CB . 16653 1 635 . 1 1 62 62 ARG CD C 13 42.88 . . 1 . . . . 62 ARG CD . 16653 1 636 . 1 1 62 62 ARG CG C 13 27.13 . . 1 . . . . 62 ARG CG . 16653 1 637 . 1 1 62 62 ARG N N 15 130.5 . . 1 . . . . 62 ARG N . 16653 1 638 . 1 1 63 63 SER H H 1 7.314 . . 1 . . . . 63 SER H . 16653 1 639 . 1 1 63 63 SER HA H 1 4.251 . . 1 . . . . 63 SER HA . 16653 1 640 . 1 1 63 63 SER HB2 H 1 3.747 . . 2 . . . . 63 SER HB2 . 16653 1 641 . 1 1 63 63 SER HB3 H 1 3.747 . . 2 . . . . 63 SER HB3 . 16653 1 642 . 1 1 63 63 SER CA C 13 57.57 . . 1 . . . . 63 SER CA . 16653 1 643 . 1 1 63 63 SER CB C 13 64.29 . . 1 . . . . 63 SER CB . 16653 1 644 . 1 1 63 63 SER N N 15 108.5 . . 1 . . . . 63 SER N . 16653 1 645 . 1 1 64 64 VAL H H 1 8.593 . . 1 . . . . 64 VAL H . 16653 1 646 . 1 1 64 64 VAL HA H 1 4.357 . . 1 . . . . 64 VAL HA . 16653 1 647 . 1 1 64 64 VAL HB H 1 1.763 . . 1 . . . . 64 VAL HB . 16653 1 648 . 1 1 64 64 VAL HG11 H 1 0.5155 . . 2 . . . . 64 VAL MG1 . 16653 1 649 . 1 1 64 64 VAL HG12 H 1 0.5155 . . 2 . . . . 64 VAL MG1 . 16653 1 650 . 1 1 64 64 VAL HG13 H 1 0.5155 . . 2 . . . . 64 VAL MG1 . 16653 1 651 . 1 1 64 64 VAL HG21 H 1 0.7155 . . 2 . . . . 64 VAL MG2 . 16653 1 652 . 1 1 64 64 VAL HG22 H 1 0.7155 . . 2 . . . . 64 VAL MG2 . 16653 1 653 . 1 1 64 64 VAL HG23 H 1 0.7155 . . 2 . . . . 64 VAL MG2 . 16653 1 654 . 1 1 64 64 VAL CA C 13 61.34 . . 1 . . . . 64 VAL CA . 16653 1 655 . 1 1 64 64 VAL CB C 13 34.58 . . 1 . . . . 64 VAL CB . 16653 1 656 . 1 1 64 64 VAL CG1 C 13 20.94 . . 2 . . . . 64 VAL CG1 . 16653 1 657 . 1 1 64 64 VAL CG2 C 13 20.94 . . 2 . . . . 64 VAL CG2 . 16653 1 658 . 1 1 64 64 VAL N N 15 121.6 . . 1 . . . . 64 VAL N . 16653 1 659 . 1 1 65 65 GLN H H 1 8.592 . . 1 . . . . 65 GLN H . 16653 1 660 . 1 1 65 65 GLN HA H 1 4.29 . . 1 . . . . 65 GLN HA . 16653 1 661 . 1 1 65 65 GLN HB2 H 1 1.951 . . 2 . . . . 65 GLN HB2 . 16653 1 662 . 1 1 65 65 GLN HB3 H 1 1.835 . . 2 . . . . 65 GLN HB3 . 16653 1 663 . 1 1 65 65 GLN HG2 H 1 2.369 . . 2 . . . . 65 GLN HG2 . 16653 1 664 . 1 1 65 65 GLN HG3 H 1 2.262 . . 2 . . . . 65 GLN HG3 . 16653 1 665 . 1 1 65 65 GLN CA C 13 56.1 . . 1 . . . . 65 GLN CA . 16653 1 666 . 1 1 65 65 GLN CB C 13 29.72 . . 1 . . . . 65 GLN CB . 16653 1 667 . 1 1 65 65 GLN CG C 13 34.3 . . 1 . . . . 65 GLN CG . 16653 1 668 . 1 1 65 65 GLN N N 15 128.3 . . 1 . . . . 65 GLN N . 16653 1 669 . 1 1 66 66 SER H H 1 8.758 . . 1 . . . . 66 SER H . 16653 1 670 . 1 1 66 66 SER HA H 1 4.072 . . 1 . . . . 66 SER HA . 16653 1 671 . 1 1 66 66 SER HB2 H 1 3.834 . . 2 . . . . 66 SER HB2 . 16653 1 672 . 1 1 66 66 SER HB3 H 1 3.834 . . 2 . . . . 66 SER HB3 . 16653 1 673 . 1 1 66 66 SER CA C 13 60.03 . . 1 . . . . 66 SER CA . 16653 1 674 . 1 1 66 66 SER CB C 13 63.12 . . 1 . . . . 66 SER CB . 16653 1 675 . 1 1 66 66 SER N N 15 119.3 . . 1 . . . . 66 SER N . 16653 1 676 . 1 1 67 67 ASN H H 1 8.343 . . 1 . . . . 67 ASN H . 16653 1 677 . 1 1 67 67 ASN HA H 1 4.635 . . 1 . . . . 67 ASN HA . 16653 1 678 . 1 1 67 67 ASN HB2 H 1 2.928 . . 2 . . . . 67 ASN HB2 . 16653 1 679 . 1 1 67 67 ASN HB3 H 1 2.779 . . 2 . . . . 67 ASN HB3 . 16653 1 680 . 1 1 67 67 ASN CA C 13 52.9 . . 1 . . . . 67 ASN CA . 16653 1 681 . 1 1 67 67 ASN CB C 13 37.35 . . 1 . . . . 67 ASN CB . 16653 1 682 . 1 1 67 67 ASN N N 15 116.7 . . 1 . . . . 67 ASN N . 16653 1 683 . 1 1 68 68 MET H H 1 7.032 . . 1 . . . . 68 MET H . 16653 1 684 . 1 1 68 68 MET CB C 13 33.27 . . 1 . . . . 68 MET CB . 16653 1 685 . 1 1 68 68 MET N N 15 116.8 . . 1 . . . . 68 MET N . 16653 1 686 . 1 1 69 69 PRO HA H 1 4.347 . . 1 . . . . 69 PRO HA . 16653 1 687 . 1 1 69 69 PRO HB2 H 1 2.663 . . 2 . . . . 69 PRO HB2 . 16653 1 688 . 1 1 69 69 PRO HB3 H 1 1.575 . . 2 . . . . 69 PRO HB3 . 16653 1 689 . 1 1 69 69 PRO HG2 H 1 2.197 . . 2 . . . . 69 PRO HG2 . 16653 1 690 . 1 1 69 69 PRO HG3 H 1 2.197 . . 2 . . . . 69 PRO HG3 . 16653 1 691 . 1 1 69 69 PRO CA C 13 66.03 . . 1 . . . . 69 PRO CA . 16653 1 692 . 1 1 69 69 PRO CB C 13 32.97 . . 1 . . . . 69 PRO CB . 16653 1 693 . 1 1 69 69 PRO CG C 13 27.77 . . 1 . . . . 69 PRO CG . 16653 1 694 . 1 1 70 70 ALA H H 1 7.895 . . 1 . . . . 70 ALA H . 16653 1 695 . 1 1 70 70 ALA HA H 1 3.845 . . 1 . . . . 70 ALA HA . 16653 1 696 . 1 1 70 70 ALA HB1 H 1 1.198 . . 1 . . . . 70 ALA MB . 16653 1 697 . 1 1 70 70 ALA HB2 H 1 1.198 . . 1 . . . . 70 ALA MB . 16653 1 698 . 1 1 70 70 ALA HB3 H 1 1.198 . . 1 . . . . 70 ALA MB . 16653 1 699 . 1 1 70 70 ALA CA C 13 53.71 . . 1 . . . . 70 ALA CA . 16653 1 700 . 1 1 70 70 ALA CB C 13 20.05 . . 1 . . . . 70 ALA CB . 16653 1 701 . 1 1 70 70 ALA N N 15 111.8 . . 1 . . . . 70 ALA N . 16653 1 702 . 1 1 71 71 ASN H H 1 7.93 . . 1 . . . . 71 ASN H . 16653 1 703 . 1 1 71 71 ASN HA H 1 4.288 . . 1 . . . . 71 ASN HA . 16653 1 704 . 1 1 71 71 ASN HB2 H 1 2.99 . . 2 . . . . 71 ASN HB2 . 16653 1 705 . 1 1 71 71 ASN HB3 H 1 2.862 . . 2 . . . . 71 ASN HB3 . 16653 1 706 . 1 1 71 71 ASN CA C 13 56.2 . . 1 . . . . 71 ASN CA . 16653 1 707 . 1 1 71 71 ASN CB C 13 39.41 . . 1 . . . . 71 ASN CB . 16653 1 708 . 1 1 71 71 ASN N N 15 119.3 . . 1 . . . . 71 ASN N . 16653 1 709 . 1 1 72 72 GLY H H 1 9.425 . . 1 . . . . 72 GLY H . 16653 1 710 . 1 1 72 72 GLY HA2 H 1 4.073 . . 2 . . . . 72 GLY HA2 . 16653 1 711 . 1 1 72 72 GLY HA3 H 1 3.534 . . 2 . . . . 72 GLY HA3 . 16653 1 712 . 1 1 72 72 GLY CA C 13 45.15 . . 1 . . . . 72 GLY CA . 16653 1 713 . 1 1 72 72 GLY N N 15 116.7 . . 1 . . . . 72 GLY N . 16653 1 714 . 1 1 73 73 HIS H H 1 8.282 . . 1 . . . . 73 HIS H . 16653 1 715 . 1 1 73 73 HIS HA H 1 4.505 . . 1 . . . . 73 HIS HA . 16653 1 716 . 1 1 73 73 HIS HB2 H 1 3.042 . . 2 . . . . 73 HIS HB2 . 16653 1 717 . 1 1 73 73 HIS HB3 H 1 3.042 . . 2 . . . . 73 HIS HB3 . 16653 1 718 . 1 1 73 73 HIS CA C 13 57.28 . . 1 . . . . 73 HIS CA . 16653 1 719 . 1 1 73 73 HIS CB C 13 31.53 . . 1 . . . . 73 HIS CB . 16653 1 720 . 1 1 73 73 HIS N N 15 116.7 . . 1 . . . . 73 HIS N . 16653 1 721 . 1 1 74 74 LEU H H 1 7.846 . . 1 . . . . 74 LEU H . 16653 1 722 . 1 1 74 74 LEU HA H 1 4.316 . . 1 . . . . 74 LEU HA . 16653 1 723 . 1 1 74 74 LEU HB2 H 1 1.227 . . 2 . . . . 74 LEU HB2 . 16653 1 724 . 1 1 74 74 LEU HB3 H 1 1.227 . . 2 . . . . 74 LEU HB3 . 16653 1 725 . 1 1 74 74 LEU HD11 H 1 0.274 . . 2 . . . . 74 LEU MD1 . 16653 1 726 . 1 1 74 74 LEU HD12 H 1 0.274 . . 2 . . . . 74 LEU MD1 . 16653 1 727 . 1 1 74 74 LEU HD13 H 1 0.274 . . 2 . . . . 74 LEU MD1 . 16653 1 728 . 1 1 74 74 LEU HD21 H 1 0.274 . . 2 . . . . 74 LEU MD2 . 16653 1 729 . 1 1 74 74 LEU HD22 H 1 0.274 . . 2 . . . . 74 LEU MD2 . 16653 1 730 . 1 1 74 74 LEU HD23 H 1 0.274 . . 2 . . . . 74 LEU MD2 . 16653 1 731 . 1 1 74 74 LEU HG H 1 0.634 . . 1 . . . . 74 LEU HG . 16653 1 732 . 1 1 74 74 LEU CA C 13 52.21 . . 1 . . . . 74 LEU CA . 16653 1 733 . 1 1 74 74 LEU CB C 13 44.99 . . 1 . . . . 74 LEU CB . 16653 1 734 . 1 1 74 74 LEU CD1 C 13 22.51 . . 2 . . . . 74 LEU CD1 . 16653 1 735 . 1 1 74 74 LEU CD2 C 13 22.51 . . 2 . . . . 74 LEU CD2 . 16653 1 736 . 1 1 74 74 LEU CG C 13 26.49 . . 1 . . . . 74 LEU CG . 16653 1 737 . 1 1 74 74 LEU N N 15 117.2 . . 1 . . . . 74 LEU N . 16653 1 738 . 1 1 75 75 GLU H H 1 9.096 . . 1 . . . . 75 GLU H . 16653 1 739 . 1 1 75 75 GLU HA H 1 4.348 . . 1 . . . . 75 GLU HA . 16653 1 740 . 1 1 75 75 GLU HB2 H 1 1.866 . . 2 . . . . 75 GLU HB2 . 16653 1 741 . 1 1 75 75 GLU HB3 H 1 1.545 . . 2 . . . . 75 GLU HB3 . 16653 1 742 . 1 1 75 75 GLU HG2 H 1 2.152 . . 2 . . . . 75 GLU HG2 . 16653 1 743 . 1 1 75 75 GLU HG3 H 1 2.152 . . 2 . . . . 75 GLU HG3 . 16653 1 744 . 1 1 75 75 GLU CA C 13 53.91 . . 1 . . . . 75 GLU CA . 16653 1 745 . 1 1 75 75 GLU CB C 13 33.87 . . 1 . . . . 75 GLU CB . 16653 1 746 . 1 1 75 75 GLU CG C 13 35.93 . . 1 . . . . 75 GLU CG . 16653 1 747 . 1 1 75 75 GLU N N 15 120.3 . . 1 . . . . 75 GLU N . 16653 1 748 . 1 1 76 76 LYS H H 1 8.324 . . 1 . . . . 76 LYS H . 16653 1 749 . 1 1 76 76 LYS HA H 1 3.303 . . 1 . . . . 76 LYS HA . 16653 1 750 . 1 1 76 76 LYS HB2 H 1 1.361 . . 2 . . . . 76 LYS HB2 . 16653 1 751 . 1 1 76 76 LYS HB3 H 1 1.233 . . 2 . . . . 76 LYS HB3 . 16653 1 752 . 1 1 76 76 LYS HD2 H 1 0.886 . . 2 . . . . 76 LYS HD2 . 16653 1 753 . 1 1 76 76 LYS HD3 H 1 0.886 . . 2 . . . . 76 LYS HD3 . 16653 1 754 . 1 1 76 76 LYS HE2 H 1 2.722 . . 2 . . . . 76 LYS HE2 . 16653 1 755 . 1 1 76 76 LYS HE3 H 1 2.722 . . 2 . . . . 76 LYS HE3 . 16653 1 756 . 1 1 76 76 LYS HG2 H 1 0.202 . . 2 . . . . 76 LYS HG2 . 16653 1 757 . 1 1 76 76 LYS HG3 H 1 0.202 . . 2 . . . . 76 LYS HG3 . 16653 1 758 . 1 1 76 76 LYS CA C 13 58.52 . . 1 . . . . 76 LYS CA . 16653 1 759 . 1 1 76 76 LYS CB C 13 32.25 . . 1 . . . . 76 LYS CB . 16653 1 760 . 1 1 76 76 LYS CD C 13 29.96 . . 1 . . . . 76 LYS CD . 16653 1 761 . 1 1 76 76 LYS CG C 13 23.97 . . 1 . . . . 76 LYS CG . 16653 1 762 . 1 1 76 76 LYS N N 15 119.7 . . 1 . . . . 76 LYS N . 16653 1 763 . 1 1 77 77 TYR H H 1 9.24 . . 1 . . . . 77 TYR H . 16653 1 764 . 1 1 77 77 TYR N N 15 118.3 . . 1 . . . . 77 TYR N . 16653 1 765 . 1 1 78 78 ASP HA H 1 5.061 . . 1 . . . . 78 ASP HA . 16653 1 766 . 1 1 78 78 ASP HB2 H 1 2.548 . . 2 . . . . 78 ASP HB2 . 16653 1 767 . 1 1 78 78 ASP HB3 H 1 2.223 . . 2 . . . . 78 ASP HB3 . 16653 1 768 . 1 1 78 78 ASP CA C 13 55.81 . . 1 . . . . 78 ASP CA . 16653 1 769 . 1 1 78 78 ASP CB C 13 41.64 . . 1 . . . . 78 ASP CB . 16653 1 770 . 1 1 79 79 VAL H H 1 8.628 . . 1 . . . . 79 VAL H . 16653 1 771 . 1 1 79 79 VAL HA H 1 4.893 . . 1 . . . . 79 VAL HA . 16653 1 772 . 1 1 79 79 VAL HB H 1 2.16 . . 1 . . . . 79 VAL HB . 16653 1 773 . 1 1 79 79 VAL HG11 H 1 1.022 . . 2 . . . . 79 VAL MG1 . 16653 1 774 . 1 1 79 79 VAL HG12 H 1 1.022 . . 2 . . . . 79 VAL MG1 . 16653 1 775 . 1 1 79 79 VAL HG13 H 1 1.022 . . 2 . . . . 79 VAL MG1 . 16653 1 776 . 1 1 79 79 VAL HG21 H 1 0.713 . . 2 . . . . 79 VAL MG2 . 16653 1 777 . 1 1 79 79 VAL HG22 H 1 0.713 . . 2 . . . . 79 VAL MG2 . 16653 1 778 . 1 1 79 79 VAL HG23 H 1 0.713 . . 2 . . . . 79 VAL MG2 . 16653 1 779 . 1 1 79 79 VAL CA C 13 60.76 . . 1 . . . . 79 VAL CA . 16653 1 780 . 1 1 79 79 VAL CB C 13 33.52 . . 1 . . . . 79 VAL CB . 16653 1 781 . 1 1 79 79 VAL CG1 C 13 21.71 . . 2 . . . . 79 VAL CG1 . 16653 1 782 . 1 1 79 79 VAL CG2 C 13 21.71 . . 2 . . . . 79 VAL CG2 . 16653 1 783 . 1 1 79 79 VAL N N 15 120 . . 1 . . . . 79 VAL N . 16653 1 784 . 1 1 80 80 ILE H H 1 9.689 . . 1 . . . . 80 ILE H . 16653 1 785 . 1 1 80 80 ILE HA H 1 4.262 . . 1 . . . . 80 ILE HA . 16653 1 786 . 1 1 80 80 ILE HB H 1 1.694 . . 1 . . . . 80 ILE HB . 16653 1 787 . 1 1 80 80 ILE HD11 H 1 0.554 . . 1 . . . . 80 ILE MD . 16653 1 788 . 1 1 80 80 ILE HD12 H 1 0.554 . . 1 . . . . 80 ILE MD . 16653 1 789 . 1 1 80 80 ILE HD13 H 1 0.554 . . 1 . . . . 80 ILE MD . 16653 1 790 . 1 1 80 80 ILE HG21 H 1 0.855 . . 1 . . . . 80 ILE MG . 16653 1 791 . 1 1 80 80 ILE HG22 H 1 0.855 . . 1 . . . . 80 ILE MG . 16653 1 792 . 1 1 80 80 ILE HG23 H 1 0.855 . . 1 . . . . 80 ILE MG . 16653 1 793 . 1 1 80 80 ILE CA C 13 62.31 . . 1 . . . . 80 ILE CA . 16653 1 794 . 1 1 80 80 ILE CB C 13 39.37 . . 1 . . . . 80 ILE CB . 16653 1 795 . 1 1 80 80 ILE CD1 C 13 14.76 . . 1 . . . . 80 ILE CD1 . 16653 1 796 . 1 1 80 80 ILE CG1 C 13 27.08 . . 1 . . . . 80 ILE CG1 . 16653 1 797 . 1 1 80 80 ILE CG2 C 13 17.29 . . 1 . . . . 80 ILE CG2 . 16653 1 798 . 1 1 80 80 ILE N N 15 128.4 . . 1 . . . . 80 ILE N . 16653 1 799 . 1 1 81 81 THR H H 1 8.838 . . 1 . . . . 81 THR H . 16653 1 800 . 1 1 81 81 THR HA H 1 4.877 . . 1 . . . . 81 THR HA . 16653 1 801 . 1 1 81 81 THR HB H 1 4.36 . . 1 . . . . 81 THR HB . 16653 1 802 . 1 1 81 81 THR HG21 H 1 1.352 . . 1 . . . . 81 THR MG . 16653 1 803 . 1 1 81 81 THR HG22 H 1 1.352 . . 1 . . . . 81 THR MG . 16653 1 804 . 1 1 81 81 THR HG23 H 1 1.352 . . 1 . . . . 81 THR MG . 16653 1 805 . 1 1 81 81 THR CA C 13 61.86 . . 1 . . . . 81 THR CA . 16653 1 806 . 1 1 81 81 THR CB C 13 69.56 . . 1 . . . . 81 THR CB . 16653 1 807 . 1 1 81 81 THR CG2 C 13 23.45 . . 1 . . . . 81 THR CG2 . 16653 1 808 . 1 1 81 81 THR N N 15 114.9 . . 1 . . . . 81 THR N . 16653 1 809 . 1 1 82 82 LYS H H 1 7.849 . . 1 . . . . 82 LYS H . 16653 1 810 . 1 1 82 82 LYS HA H 1 5.284 . . 1 . . . . 82 LYS HA . 16653 1 811 . 1 1 82 82 LYS HB2 H 1 1.703 . . 2 . . . . 82 LYS HB2 . 16653 1 812 . 1 1 82 82 LYS HB3 H 1 1.523 . . 2 . . . . 82 LYS HB3 . 16653 1 813 . 1 1 82 82 LYS HD2 H 1 1.452 . . 2 . . . . 82 LYS HD2 . 16653 1 814 . 1 1 82 82 LYS HD3 H 1 1.452 . . 2 . . . . 82 LYS HD3 . 16653 1 815 . 1 1 82 82 LYS HE2 H 1 2.924 . . 2 . . . . 82 LYS HE2 . 16653 1 816 . 1 1 82 82 LYS HE3 H 1 2.924 . . 2 . . . . 82 LYS HE3 . 16653 1 817 . 1 1 82 82 LYS HG2 H 1 1.273 . . 2 . . . . 82 LYS HG2 . 16653 1 818 . 1 1 82 82 LYS HG3 H 1 1.273 . . 2 . . . . 82 LYS HG3 . 16653 1 819 . 1 1 82 82 LYS CA C 13 55.92 . . 1 . . . . 82 LYS CA . 16653 1 820 . 1 1 82 82 LYS CB C 13 38.5 . . 1 . . . . 82 LYS CB . 16653 1 821 . 1 1 82 82 LYS CD C 13 30.12 . . 1 . . . . 82 LYS CD . 16653 1 822 . 1 1 82 82 LYS CE C 13 42.34 . . 1 . . . . 82 LYS CE . 16653 1 823 . 1 1 82 82 LYS CG C 13 25.05 . . 1 . . . . 82 LYS CG . 16653 1 824 . 1 1 82 82 LYS N N 15 120.6 . . 1 . . . . 82 LYS N . 16653 1 825 . 1 1 83 83 VAL H H 1 8.495 . . 1 . . . . 83 VAL H . 16653 1 826 . 1 1 83 83 VAL HA H 1 4.635 . . 1 . . . . 83 VAL HA . 16653 1 827 . 1 1 83 83 VAL HB H 1 1.733 . . 1 . . . . 83 VAL HB . 16653 1 828 . 1 1 83 83 VAL HG11 H 1 0.807 . . 2 . . . . 83 VAL MG1 . 16653 1 829 . 1 1 83 83 VAL HG12 H 1 0.807 . . 2 . . . . 83 VAL MG1 . 16653 1 830 . 1 1 83 83 VAL HG13 H 1 0.807 . . 2 . . . . 83 VAL MG1 . 16653 1 831 . 1 1 83 83 VAL HG21 H 1 0.807 . . 2 . . . . 83 VAL MG2 . 16653 1 832 . 1 1 83 83 VAL HG22 H 1 0.807 . . 2 . . . . 83 VAL MG2 . 16653 1 833 . 1 1 83 83 VAL HG23 H 1 0.807 . . 2 . . . . 83 VAL MG2 . 16653 1 834 . 1 1 83 83 VAL CA C 13 60.99 . . 1 . . . . 83 VAL CA . 16653 1 835 . 1 1 83 83 VAL CB C 13 34.02 . . 1 . . . . 83 VAL CB . 16653 1 836 . 1 1 83 83 VAL CG1 C 13 22.09 . . 2 . . . . 83 VAL CG1 . 16653 1 837 . 1 1 83 83 VAL CG2 C 13 22.09 . . 2 . . . . 83 VAL CG2 . 16653 1 838 . 1 1 83 83 VAL N N 15 120.2 . . 1 . . . . 83 VAL N . 16653 1 839 . 1 1 84 84 ASP H H 1 10.22 . . 1 . . . . 84 ASP H . 16653 1 840 . 1 1 84 84 ASP CA C 13 56.58 . . 1 . . . . 84 ASP CA . 16653 1 841 . 1 1 84 84 ASP CB C 13 39.08 . . 1 . . . . 84 ASP CB . 16653 1 842 . 1 1 84 84 ASP N N 15 129 . . 1 . . . . 84 ASP N . 16653 1 843 . 1 1 86 86 LYS HA H 1 4.511 . . 1 . . . . 86 LYS HA . 16653 1 844 . 1 1 86 86 LYS HB2 H 1 1.853 . . 2 . . . . 86 LYS HB2 . 16653 1 845 . 1 1 86 86 LYS HB3 H 1 1.853 . . 2 . . . . 86 LYS HB3 . 16653 1 846 . 1 1 86 86 LYS HD2 H 1 1.651 . . 2 . . . . 86 LYS HD2 . 16653 1 847 . 1 1 86 86 LYS HD3 H 1 1.651 . . 2 . . . . 86 LYS HD3 . 16653 1 848 . 1 1 86 86 LYS HE2 H 1 2.996 . . 2 . . . . 86 LYS HE2 . 16653 1 849 . 1 1 86 86 LYS HE3 H 1 2.996 . . 2 . . . . 86 LYS HE3 . 16653 1 850 . 1 1 86 86 LYS HG2 H 1 1.432 . . 2 . . . . 86 LYS HG2 . 16653 1 851 . 1 1 86 86 LYS HG3 H 1 1.432 . . 2 . . . . 86 LYS HG3 . 16653 1 852 . 1 1 86 86 LYS CA C 13 55.08 . . 1 . . . . 86 LYS CA . 16653 1 853 . 1 1 86 86 LYS CB C 13 33.55 . . 1 . . . . 86 LYS CB . 16653 1 854 . 1 1 86 86 LYS CD C 13 28.79 . . 1 . . . . 86 LYS CD . 16653 1 855 . 1 1 86 86 LYS CE C 13 42.06 . . 1 . . . . 86 LYS CE . 16653 1 856 . 1 1 86 86 LYS CG C 13 24.4 . . 1 . . . . 86 LYS CG . 16653 1 857 . 1 1 87 87 GLU H H 1 8.828 . . 1 . . . . 87 GLU H . 16653 1 858 . 1 1 87 87 GLU HA H 1 4.532 . . 1 . . . . 87 GLU HA . 16653 1 859 . 1 1 87 87 GLU HB2 H 1 3.255 . . 2 . . . . 87 GLU HB2 . 16653 1 860 . 1 1 87 87 GLU HB3 H 1 3.045 . . 2 . . . . 87 GLU HB3 . 16653 1 861 . 1 1 87 87 GLU HG2 H 1 3.686 . . 2 . . . . 87 GLU HG2 . 16653 1 862 . 1 1 87 87 GLU HG3 H 1 3.686 . . 2 . . . . 87 GLU HG3 . 16653 1 863 . 1 1 87 87 GLU CA C 13 55.71 . . 1 . . . . 87 GLU CA . 16653 1 864 . 1 1 87 87 GLU CB C 13 30.07 . . 1 . . . . 87 GLU CB . 16653 1 865 . 1 1 87 87 GLU CG C 13 35.78 . . 1 . . . . 87 GLU CG . 16653 1 866 . 1 1 87 87 GLU N N 15 124.4 . . 1 . . . . 87 GLU N . 16653 1 867 . 1 1 88 88 ILE H H 1 8.16 . . 1 . . . . 88 ILE H . 16653 1 868 . 1 1 88 88 ILE HA H 1 4.351 . . 1 . . . . 88 ILE HA . 16653 1 869 . 1 1 88 88 ILE HB H 1 1.810 . . 1 . . . . 88 ILE HB . 16653 1 870 . 1 1 88 88 ILE HD11 H 1 0.752 . . 1 . . . . 88 ILE MD . 16653 1 871 . 1 1 88 88 ILE HD12 H 1 0.752 . . 1 . . . . 88 ILE MD . 16653 1 872 . 1 1 88 88 ILE HD13 H 1 0.752 . . 1 . . . . 88 ILE MD . 16653 1 873 . 1 1 88 88 ILE HG12 H 1 1.534 . . 2 . . . . 88 ILE HG12 . 16653 1 874 . 1 1 88 88 ILE HG13 H 1 1.179 . . 2 . . . . 88 ILE HG13 . 16653 1 875 . 1 1 88 88 ILE HG21 H 1 0.964 . . 1 . . . . 88 ILE MG . 16653 1 876 . 1 1 88 88 ILE HG22 H 1 0.964 . . 1 . . . . 88 ILE MG . 16653 1 877 . 1 1 88 88 ILE HG23 H 1 0.964 . . 1 . . . . 88 ILE MG . 16653 1 878 . 1 1 88 88 ILE CA C 13 57.73 . . 1 . . . . 88 ILE CA . 16653 1 879 . 1 1 88 88 ILE CG2 C 13 19.35 . . 1 . . . . 88 ILE CG2 . 16653 1 880 . 1 1 88 88 ILE N N 15 125.5 . . 1 . . . . 88 ILE N . 16653 1 881 . 1 1 89 89 ALA H H 1 9.288 . . 1 . . . . 89 ALA H . 16653 1 882 . 1 1 89 89 ALA HA H 1 4.595 . . 1 . . . . 89 ALA HA . 16653 1 883 . 1 1 89 89 ALA HB1 H 1 1.398 . . 1 . . . . 89 ALA MB . 16653 1 884 . 1 1 89 89 ALA HB2 H 1 1.398 . . 1 . . . . 89 ALA MB . 16653 1 885 . 1 1 89 89 ALA HB3 H 1 1.398 . . 1 . . . . 89 ALA MB . 16653 1 886 . 1 1 89 89 ALA CA C 13 51.23 . . 1 . . . . 89 ALA CA . 16653 1 887 . 1 1 89 89 ALA CB C 13 20.86 . . 1 . . . . 89 ALA CB . 16653 1 888 . 1 1 89 89 ALA N N 15 124.59 . . 1 . . . . 89 ALA N . 16653 1 889 . 1 1 90 90 SER H H 1 7.643 . . 1 . . . . 90 SER H . 16653 1 890 . 1 1 90 90 SER HA H 1 4.61 . . 1 . . . . 90 SER HA . 16653 1 891 . 1 1 90 90 SER HB2 H 1 4.143 . . 2 . . . . 90 SER HB2 . 16653 1 892 . 1 1 90 90 SER HB3 H 1 3.833 . . 2 . . . . 90 SER HB3 . 16653 1 893 . 1 1 90 90 SER CA C 13 56.44 . . 1 . . . . 90 SER CA . 16653 1 894 . 1 1 90 90 SER CB C 13 67.29 . . 1 . . . . 90 SER CB . 16653 1 895 . 1 1 90 90 SER N N 15 110.2 . . 1 . . . . 90 SER N . 16653 1 896 . 1 1 91 91 SER H H 1 9.875 . . 1 . . . . 91 SER H . 16653 1 897 . 1 1 91 91 SER HA H 1 4.016 . . 1 . . . . 91 SER HA . 16653 1 898 . 1 1 91 91 SER HB2 H 1 3.731 . . 2 . . . . 91 SER HB2 . 16653 1 899 . 1 1 91 91 SER HB3 H 1 3.731 . . 2 . . . . 91 SER HB3 . 16653 1 900 . 1 1 91 91 SER CA C 13 61.19 . . 1 . . . . 91 SER CA . 16653 1 901 . 1 1 91 91 SER CB C 13 62.77 . . 1 . . . . 91 SER CB . 16653 1 902 . 1 1 91 91 SER N N 15 118.9 . . 1 . . . . 91 SER N . 16653 1 903 . 1 1 92 92 THR H H 1 7.8 . . 1 . . . . 92 THR H . 16653 1 904 . 1 1 92 92 THR HA H 1 4.032 . . 1 . . . . 92 THR HA . 16653 1 905 . 1 1 92 92 THR HB H 1 3.982 . . 1 . . . . 92 THR HB . 16653 1 906 . 1 1 92 92 THR HG21 H 1 1.203 . . 1 . . . . 92 THR MG . 16653 1 907 . 1 1 92 92 THR HG22 H 1 1.203 . . 1 . . . . 92 THR MG . 16653 1 908 . 1 1 92 92 THR HG23 H 1 1.203 . . 1 . . . . 92 THR MG . 16653 1 909 . 1 1 92 92 THR CA C 13 65.78 . . 1 . . . . 92 THR CA . 16653 1 910 . 1 1 92 92 THR CB C 13 68.03 . . 1 . . . . 92 THR CB . 16653 1 911 . 1 1 92 92 THR CG2 C 13 22.27 . . 1 . . . . 92 THR CG2 . 16653 1 912 . 1 1 92 92 THR N N 15 118.1 . . 1 . . . . 92 THR N . 16653 1 913 . 1 1 93 93 ASP H H 1 7.657 . . 1 . . . . 93 ASP H . 16653 1 914 . 1 1 93 93 ASP HA H 1 4.376 . . 1 . . . . 93 ASP HA . 16653 1 915 . 1 1 93 93 ASP HB2 H 1 3.024 . . 2 . . . . 93 ASP HB2 . 16653 1 916 . 1 1 93 93 ASP HB3 H 1 2.817 . . 2 . . . . 93 ASP HB3 . 16653 1 917 . 1 1 93 93 ASP CA C 13 57.17 . . 1 . . . . 93 ASP CA . 16653 1 918 . 1 1 93 93 ASP CB C 13 41.12 . . 1 . . . . 93 ASP CB . 16653 1 919 . 1 1 93 93 ASP N N 15 123 . . 1 . . . . 93 ASP N . 16653 1 920 . 1 1 94 94 LEU H H 1 7.628 . . 1 . . . . 94 LEU H . 16653 1 921 . 1 1 94 94 LEU HA H 1 3.896 . . 1 . . . . 94 LEU HA . 16653 1 922 . 1 1 94 94 LEU HB2 H 1 1.937 . . 2 . . . . 94 LEU HB2 . 16653 1 923 . 1 1 94 94 LEU HB3 H 1 1.937 . . 2 . . . . 94 LEU HB3 . 16653 1 924 . 1 1 94 94 LEU HD11 H 1 0.78 . . 2 . . . . 94 LEU MD1 . 16653 1 925 . 1 1 94 94 LEU HD12 H 1 0.78 . . 2 . . . . 94 LEU MD1 . 16653 1 926 . 1 1 94 94 LEU HD13 H 1 0.78 . . 2 . . . . 94 LEU MD1 . 16653 1 927 . 1 1 94 94 LEU HD21 H 1 0.78 . . 2 . . . . 94 LEU MD2 . 16653 1 928 . 1 1 94 94 LEU HD22 H 1 0.78 . . 2 . . . . 94 LEU MD2 . 16653 1 929 . 1 1 94 94 LEU HD23 H 1 0.78 . . 2 . . . . 94 LEU MD2 . 16653 1 930 . 1 1 94 94 LEU HG H 1 1.554 . . 1 . . . . 94 LEU HG . 16653 1 931 . 1 1 94 94 LEU CA C 13 57.9 . . 1 . . . . 94 LEU CA . 16653 1 932 . 1 1 94 94 LEU CB C 13 41.64 . . 1 . . . . 94 LEU CB . 16653 1 933 . 1 1 94 94 LEU N N 15 122.1 . . 1 . . . . 94 LEU N . 16653 1 934 . 1 1 95 95 GLN H H 1 8.394 . . 1 . . . . 95 GLN H . 16653 1 935 . 1 1 95 95 GLN HA H 1 3.694 . . 1 . . . . 95 GLN HA . 16653 1 936 . 1 1 95 95 GLN HB2 H 1 1.916 . . 2 . . . . 95 GLN HB2 . 16653 1 937 . 1 1 95 95 GLN HB3 H 1 2.099 . . 2 . . . . 95 GLN HB3 . 16653 1 938 . 1 1 95 95 GLN HG2 H 1 2.24 . . 2 . . . . 95 GLN HG2 . 16653 1 939 . 1 1 95 95 GLN HG3 H 1 2.24 . . 2 . . . . 95 GLN HG3 . 16653 1 940 . 1 1 95 95 GLN CA C 13 59.33 . . 1 . . . . 95 GLN CA . 16653 1 941 . 1 1 95 95 GLN CB C 13 28.51 . . 1 . . . . 95 GLN CB . 16653 1 942 . 1 1 95 95 GLN CG C 13 34.26 . . 1 . . . . 95 GLN CG . 16653 1 943 . 1 1 95 95 GLN N N 15 118 . . 1 . . . . 95 GLN N . 16653 1 944 . 1 1 96 96 SER H H 1 8.204 . . 1 . . . . 96 SER H . 16653 1 945 . 1 1 96 96 SER HA H 1 4.060 . . 1 . . . . 96 SER HA . 16653 1 946 . 1 1 96 96 SER HB2 H 1 4.060 . . 2 . . . . 96 SER HB2 . 16653 1 947 . 1 1 96 96 SER HB3 H 1 4.060 . . 2 . . . . 96 SER HB3 . 16653 1 948 . 1 1 96 96 SER CA C 13 61.58 . . 1 . . . . 96 SER CA . 16653 1 949 . 1 1 96 96 SER CB C 13 63.85 . . 1 . . . . 96 SER CB . 16653 1 950 . 1 1 96 96 SER N N 15 113.6 . . 1 . . . . 96 SER N . 16653 1 951 . 1 1 97 97 ALA H H 1 7.698 . . 1 . . . . 97 ALA H . 16653 1 952 . 1 1 97 97 ALA HA H 1 4.176 . . 1 . . . . 97 ALA HA . 16653 1 953 . 1 1 97 97 ALA HB1 H 1 1.482 . . 1 . . . . 97 ALA MB . 16653 1 954 . 1 1 97 97 ALA HB2 H 1 1.482 . . 1 . . . . 97 ALA MB . 16653 1 955 . 1 1 97 97 ALA HB3 H 1 1.482 . . 1 . . . . 97 ALA MB . 16653 1 956 . 1 1 97 97 ALA CA C 13 54.64 . . 1 . . . . 97 ALA CA . 16653 1 957 . 1 1 97 97 ALA CB C 13 17.84 . . 1 . . . . 97 ALA CB . 16653 1 958 . 1 1 97 97 ALA N N 15 122.4 . . 1 . . . . 97 ALA N . 16653 1 959 . 1 1 98 98 LEU H H 1 8.153 . . 1 . . . . 98 LEU H . 16653 1 960 . 1 1 98 98 LEU HA H 1 3.629 . . 1 . . . . 98 LEU HA . 16653 1 961 . 1 1 98 98 LEU HB2 H 1 1.66 . . 2 . . . . 98 LEU HB2 . 16653 1 962 . 1 1 98 98 LEU HB3 H 1 1.66 . . 2 . . . . 98 LEU HB3 . 16653 1 963 . 1 1 98 98 LEU HD11 H 1 0.712 . . 2 . . . . 98 LEU MD1 . 16653 1 964 . 1 1 98 98 LEU HD12 H 1 0.712 . . 2 . . . . 98 LEU MD1 . 16653 1 965 . 1 1 98 98 LEU HD13 H 1 0.712 . . 2 . . . . 98 LEU MD1 . 16653 1 966 . 1 1 98 98 LEU HD21 H 1 0.712 . . 2 . . . . 98 LEU MD2 . 16653 1 967 . 1 1 98 98 LEU HD22 H 1 0.712 . . 2 . . . . 98 LEU MD2 . 16653 1 968 . 1 1 98 98 LEU HD23 H 1 0.712 . . 2 . . . . 98 LEU MD2 . 16653 1 969 . 1 1 98 98 LEU HG H 1 1.66 . . 1 . . . . 98 LEU HG . 16653 1 970 . 1 1 98 98 LEU CA C 13 57.9 . . 1 . . . . 98 LEU CA . 16653 1 971 . 1 1 98 98 LEU CB C 13 41.64 . . 1 . . . . 98 LEU CB . 16653 1 972 . 1 1 98 98 LEU CD1 C 13 25.34 . . 2 . . . . 98 LEU CD1 . 16653 1 973 . 1 1 98 98 LEU CD2 C 13 24.34 . . 2 . . . . 98 LEU CD2 . 16653 1 974 . 1 1 98 98 LEU CG C 13 26.96 . . 1 . . . . 98 LEU CG . 16653 1 975 . 1 1 98 98 LEU N N 15 118.9 . . 1 . . . . 98 LEU N . 16653 1 976 . 1 1 99 99 TYR H H 1 8.256 . . 1 . . . . 99 TYR H . 16653 1 977 . 1 1 99 99 TYR HA H 1 4.377 . . 1 . . . . 99 TYR HA . 16653 1 978 . 1 1 99 99 TYR HB2 H 1 3.175 . . 2 . . . . 99 TYR HB2 . 16653 1 979 . 1 1 99 99 TYR HB3 H 1 3.175 . . 2 . . . . 99 TYR HB3 . 16653 1 980 . 1 1 99 99 TYR CA C 13 58.41 . . 1 . . . . 99 TYR CA . 16653 1 981 . 1 1 99 99 TYR CB C 13 37.02 . . 1 . . . . 99 TYR CB . 16653 1 982 . 1 1 99 99 TYR N N 15 116.4 . . 1 . . . . 99 TYR N . 16653 1 983 . 1 1 100 100 ASN H H 1 7.419 . . 1 . . . . 100 ASN H . 16653 1 984 . 1 1 100 100 ASN HA H 1 4.707 . . 1 . . . . 100 ASN HA . 16653 1 985 . 1 1 100 100 ASN HB2 H 1 2.784 . . 2 . . . . 100 ASN HB2 . 16653 1 986 . 1 1 100 100 ASN HB3 H 1 2.629 . . 2 . . . . 100 ASN HB3 . 16653 1 987 . 1 1 100 100 ASN CA C 13 53.36 . . 1 . . . . 100 ASN CA . 16653 1 988 . 1 1 100 100 ASN CB C 13 38.95 . . 1 . . . . 100 ASN CB . 16653 1 989 . 1 1 100 100 ASN N N 15 114.8 . . 1 . . . . 100 ASN N . 16653 1 990 . 1 1 101 101 HIS H H 1 7.807 . . 1 . . . . 101 HIS H . 16653 1 991 . 1 1 101 101 HIS HA H 1 4.559 . . 1 . . . . 101 HIS HA . 16653 1 992 . 1 1 101 101 HIS HB2 H 1 3.213 . . 2 . . . . 101 HIS HB2 . 16653 1 993 . 1 1 101 101 HIS HB3 H 1 3.213 . . 2 . . . . 101 HIS HB3 . 16653 1 994 . 1 1 101 101 HIS CA C 13 56.28 . . 1 . . . . 101 HIS CA . 16653 1 995 . 1 1 101 101 HIS CB C 13 31.2 . . 1 . . . . 101 HIS CB . 16653 1 996 . 1 1 101 101 HIS N N 15 117.8 . . 1 . . . . 101 HIS N . 16653 1 997 . 1 1 102 102 SER H H 1 8.292 . . 1 . . . . 102 SER H . 16653 1 998 . 1 1 102 102 SER HA H 1 4.717 . . 1 . . . . 102 SER HA . 16653 1 999 . 1 1 102 102 SER HB2 H 1 3.849 . . 2 . . . . 102 SER HB2 . 16653 1 1000 . 1 1 102 102 SER HB3 H 1 3.598 . . 2 . . . . 102 SER HB3 . 16653 1 1001 . 1 1 102 102 SER CA C 13 56.76 . . 1 . . . . 102 SER CA . 16653 1 1002 . 1 1 102 102 SER CB C 13 65.56 . . 1 . . . . 102 SER CB . 16653 1 1003 . 1 1 102 102 SER N N 15 114.2 . . 1 . . . . 102 SER N . 16653 1 1004 . 1 1 103 103 ILE H H 1 8.546 . . 1 . . . . 103 ILE H . 16653 1 1005 . 1 1 103 103 ILE HA H 1 3.894 . . 1 . . . . 103 ILE HA . 16653 1 1006 . 1 1 103 103 ILE HB H 1 1.768 . . 1 . . . . 103 ILE HB . 16653 1 1007 . 1 1 103 103 ILE HD11 H 1 0.578 . . 1 . . . . 103 ILE MD . 16653 1 1008 . 1 1 103 103 ILE HD12 H 1 0.578 . . 1 . . . . 103 ILE MD . 16653 1 1009 . 1 1 103 103 ILE HD13 H 1 0.578 . . 1 . . . . 103 ILE MD . 16653 1 1010 . 1 1 103 103 ILE HG12 H 1 1.427 . . 2 . . . . 103 ILE HG12 . 16653 1 1011 . 1 1 103 103 ILE HG13 H 1 1.341 . . 2 . . . . 103 ILE HG13 . 16653 1 1012 . 1 1 103 103 ILE HG21 H 1 0.828 . . 1 . . . . 103 ILE MG . 16653 1 1013 . 1 1 103 103 ILE HG22 H 1 0.828 . . 1 . . . . 103 ILE MG . 16653 1 1014 . 1 1 103 103 ILE HG23 H 1 0.828 . . 1 . . . . 103 ILE MG . 16653 1 1015 . 1 1 103 103 ILE CA C 13 61.69 . . 1 . . . . 103 ILE CA . 16653 1 1016 . 1 1 103 103 ILE CB C 13 36.46 . . 1 . . . . 103 ILE CB . 16653 1 1017 . 1 1 103 103 ILE CG1 C 13 27.84 . . 1 . . . . 103 ILE CG1 . 16653 1 1018 . 1 1 103 103 ILE CG2 C 13 17.21 . . 1 . . . . 103 ILE CG2 . 16653 1 1019 . 1 1 103 103 ILE N N 15 122.5 . . 1 . . . . 103 ILE N . 16653 1 1020 . 1 1 104 104 GLY H H 1 8.933 . . 1 . . . . 104 GLY H . 16653 1 1021 . 1 1 104 104 GLY HA2 H 1 4.409 . . 2 . . . . 104 GLY HA2 . 16653 1 1022 . 1 1 104 104 GLY HA3 H 1 3.373 . . 2 . . . . 104 GLY HA3 . 16653 1 1023 . 1 1 104 104 GLY CA C 13 44.58 . . 1 . . . . 104 GLY CA . 16653 1 1024 . 1 1 104 104 GLY N N 15 116.3 . . 1 . . . . 104 GLY N . 16653 1 1025 . 1 1 105 105 ASP H H 1 7.943 . . 1 . . . . 105 ASP H . 16653 1 1026 . 1 1 105 105 ASP HA H 1 4.953 . . 1 . . . . 105 ASP HA . 16653 1 1027 . 1 1 105 105 ASP HB2 H 1 2.883 . . 2 . . . . 105 ASP HB2 . 16653 1 1028 . 1 1 105 105 ASP HB3 H 1 2.762 . . 2 . . . . 105 ASP HB3 . 16653 1 1029 . 1 1 105 105 ASP CA C 13 54.42 . . 1 . . . . 105 ASP CA . 16653 1 1030 . 1 1 105 105 ASP CB C 13 41.72 . . 1 . . . . 105 ASP CB . 16653 1 1031 . 1 1 105 105 ASP N N 15 121.2 . . 1 . . . . 105 ASP N . 16653 1 1032 . 1 1 106 106 THR H H 1 8.537 . . 1 . . . . 106 THR H . 16653 1 1033 . 1 1 106 106 THR HA H 1 4.957 . . 1 . . . . 106 THR HA . 16653 1 1034 . 1 1 106 106 THR HB H 1 3.796 . . 1 . . . . 106 THR HB . 16653 1 1035 . 1 1 106 106 THR HG21 H 1 0.886 . . 1 . . . . 106 THR MG . 16653 1 1036 . 1 1 106 106 THR HG22 H 1 0.886 . . 1 . . . . 106 THR MG . 16653 1 1037 . 1 1 106 106 THR HG23 H 1 0.886 . . 1 . . . . 106 THR MG . 16653 1 1038 . 1 1 106 106 THR CA C 13 61.72 . . 1 . . . . 106 THR CA . 16653 1 1039 . 1 1 106 106 THR CB C 13 70.02 . . 1 . . . . 106 THR CB . 16653 1 1040 . 1 1 106 106 THR CG2 C 13 21.81 . . 1 . . . . 106 THR CG2 . 16653 1 1041 . 1 1 106 106 THR N N 15 115.4 . . 1 . . . . 106 THR N . 16653 1 1042 . 1 1 107 107 ILE H H 1 8.726 . . 1 . . . . 107 ILE H . 16653 1 1043 . 1 1 107 107 ILE HA H 1 4.609 . . 1 . . . . 107 ILE HA . 16653 1 1044 . 1 1 107 107 ILE HB H 1 1.261 . . 1 . . . . 107 ILE HB . 16653 1 1045 . 1 1 107 107 ILE HD11 H 1 0.397 . . 1 . . . . 107 ILE MD . 16653 1 1046 . 1 1 107 107 ILE HD12 H 1 0.397 . . 1 . . . . 107 ILE MD . 16653 1 1047 . 1 1 107 107 ILE HD13 H 1 0.397 . . 1 . . . . 107 ILE MD . 16653 1 1048 . 1 1 107 107 ILE HG12 H 1 0.895 . . 2 . . . . 107 ILE HG12 . 16653 1 1049 . 1 1 107 107 ILE HG13 H 1 0.895 . . 2 . . . . 107 ILE HG13 . 16653 1 1050 . 1 1 107 107 ILE HG21 H 1 0.561 . . 1 . . . . 107 ILE MG . 16653 1 1051 . 1 1 107 107 ILE HG22 H 1 0.561 . . 1 . . . . 107 ILE MG . 16653 1 1052 . 1 1 107 107 ILE HG23 H 1 0.561 . . 1 . . . . 107 ILE MG . 16653 1 1053 . 1 1 107 107 ILE CA C 13 58.89 . . 1 . . . . 107 ILE CA . 16653 1 1054 . 1 1 107 107 ILE CB C 13 41.61 . . 1 . . . . 107 ILE CB . 16653 1 1055 . 1 1 107 107 ILE CG1 C 13 26.12 . . 1 . . . . 107 ILE CG1 . 16653 1 1056 . 1 1 107 107 ILE CG2 C 13 16.24 . . 1 . . . . 107 ILE CG2 . 16653 1 1057 . 1 1 107 107 ILE N N 15 122 . . 1 . . . . 107 ILE N . 16653 1 1058 . 1 1 108 108 LYS H H 1 8.551 . . 1 . . . . 108 LYS H . 16653 1 1059 . 1 1 108 108 LYS HA H 1 5.059 . . 1 . . . . 108 LYS HA . 16653 1 1060 . 1 1 108 108 LYS HB2 H 1 1.665 . . 2 . . . . 108 LYS HB2 . 16653 1 1061 . 1 1 108 108 LYS HB3 H 1 1.546 . . 2 . . . . 108 LYS HB3 . 16653 1 1062 . 1 1 108 108 LYS HD2 H 1 1.638 . . 2 . . . . 108 LYS HD2 . 16653 1 1063 . 1 1 108 108 LYS HD3 H 1 1.638 . . 2 . . . . 108 LYS HD3 . 16653 1 1064 . 1 1 108 108 LYS HE2 H 1 2.776 . . 2 . . . . 108 LYS HE2 . 16653 1 1065 . 1 1 108 108 LYS HE3 H 1 2.776 . . 2 . . . . 108 LYS HE3 . 16653 1 1066 . 1 1 108 108 LYS HG2 H 1 1.382 . . 2 . . . . 108 LYS HG2 . 16653 1 1067 . 1 1 108 108 LYS HG3 H 1 1.382 . . 2 . . . . 108 LYS HG3 . 16653 1 1068 . 1 1 108 108 LYS CA C 13 54.81 . . 1 . . . . 108 LYS CA . 16653 1 1069 . 1 1 108 108 LYS CB C 13 34.53 . . 1 . . . . 108 LYS CB . 16653 1 1070 . 1 1 108 108 LYS CD C 13 29.52 . . 1 . . . . 108 LYS CD . 16653 1 1071 . 1 1 108 108 LYS CE C 13 41.81 . . 1 . . . . 108 LYS CE . 16653 1 1072 . 1 1 108 108 LYS CG C 13 25.03 . . 1 . . . . 108 LYS CG . 16653 1 1073 . 1 1 108 108 LYS N N 15 125.7 . . 1 . . . . 108 LYS N . 16653 1 1074 . 1 1 109 109 ILE H H 1 9.417 . . 1 . . . . 109 ILE H . 16653 1 1075 . 1 1 109 109 ILE HA H 1 4.83 . . 1 . . . . 109 ILE HA . 16653 1 1076 . 1 1 109 109 ILE HB H 1 1.829 . . 1 . . . . 109 ILE HB . 16653 1 1077 . 1 1 109 109 ILE HD11 H 1 0.691 . . 1 . . . . 109 ILE MD . 16653 1 1078 . 1 1 109 109 ILE HD12 H 1 0.691 . . 1 . . . . 109 ILE MD . 16653 1 1079 . 1 1 109 109 ILE HD13 H 1 0.691 . . 1 . . . . 109 ILE MD . 16653 1 1080 . 1 1 109 109 ILE HG12 H 1 1.460 . . 2 . . . . 109 ILE HG12 . 16653 1 1081 . 1 1 109 109 ILE HG13 H 1 1.309 . . 2 . . . . 109 ILE HG13 . 16653 1 1082 . 1 1 109 109 ILE HG21 H 1 1.005 . . 1 . . . . 109 ILE MG . 16653 1 1083 . 1 1 109 109 ILE HG22 H 1 1.005 . . 1 . . . . 109 ILE MG . 16653 1 1084 . 1 1 109 109 ILE HG23 H 1 1.005 . . 1 . . . . 109 ILE MG . 16653 1 1085 . 1 1 109 109 ILE CA C 13 59.6 . . 1 . . . . 109 ILE CA . 16653 1 1086 . 1 1 109 109 ILE CB C 13 39.7 . . 1 . . . . 109 ILE CB . 16653 1 1087 . 1 1 109 109 ILE CD1 C 13 12.83 . . 1 . . . . 109 ILE CD1 . 16653 1 1088 . 1 1 109 109 ILE CG1 C 13 27.81 . . 1 . . . . 109 ILE CG1 . 16653 1 1089 . 1 1 109 109 ILE CG2 C 13 19.27 . . 1 . . . . 109 ILE CG2 . 16653 1 1090 . 1 1 109 109 ILE N N 15 128.5 . . 1 . . . . 109 ILE N . 16653 1 1091 . 1 1 110 110 THR H H 1 8.836 . . 1 . . . . 110 THR H . 16653 1 1092 . 1 1 110 110 THR HA H 1 5.133 . . 1 . . . . 110 THR HA . 16653 1 1093 . 1 1 110 110 THR HB H 1 3.797 . . 1 . . . . 110 THR HB . 16653 1 1094 . 1 1 110 110 THR HG21 H 1 1.023 . . 1 . . . . 110 THR MG . 16653 1 1095 . 1 1 110 110 THR HG22 H 1 1.023 . . 1 . . . . 110 THR MG . 16653 1 1096 . 1 1 110 110 THR HG23 H 1 1.023 . . 1 . . . . 110 THR MG . 16653 1 1097 . 1 1 110 110 THR CA C 13 62.1 . . 1 . . . . 110 THR CA . 16653 1 1098 . 1 1 110 110 THR CB C 13 69.44 . . 1 . . . . 110 THR CB . 16653 1 1099 . 1 1 110 110 THR CG2 C 13 21.54 . . 1 . . . . 110 THR CG2 . 16653 1 1100 . 1 1 110 110 THR N N 15 126.4 . . 1 . . . . 110 THR N . 16653 1 1101 . 1 1 111 111 TYR H H 1 8.914 . . 1 . . . . 111 TYR H . 16653 1 1102 . 1 1 111 111 TYR HA H 1 5.881 . . 1 . . . . 111 TYR HA . 16653 1 1103 . 1 1 111 111 TYR HB2 H 1 2.593 . . 2 . . . . 111 TYR HB2 . 16653 1 1104 . 1 1 111 111 TYR HB3 H 1 2.593 . . 2 . . . . 111 TYR HB3 . 16653 1 1105 . 1 1 111 111 TYR CA C 13 55.05 . . 1 . . . . 111 TYR CA . 16653 1 1106 . 1 1 111 111 TYR CB C 13 41.77 . . 1 . . . . 111 TYR CB . 16653 1 1107 . 1 1 111 111 TYR N N 15 124.4 . . 1 . . . . 111 TYR N . 16653 1 1108 . 1 1 112 112 TYR H H 1 9.482 . . 1 . . . . 112 TYR H . 16653 1 1109 . 1 1 112 112 TYR HA H 1 5.110 . . 1 . . . . 112 TYR HA . 16653 1 1110 . 1 1 112 112 TYR HB2 H 1 2.837 . . 2 . . . . 112 TYR HB2 . 16653 1 1111 . 1 1 112 112 TYR HB3 H 1 2.837 . . 2 . . . . 112 TYR HB3 . 16653 1 1112 . 1 1 112 112 TYR CA C 13 57.28 . . 1 . . . . 112 TYR CA . 16653 1 1113 . 1 1 112 112 TYR CB C 13 41.51 . . 1 . . . . 112 TYR CB . 16653 1 1114 . 1 1 112 112 TYR N N 15 117.4 . . 1 . . . . 112 TYR N . 16653 1 1115 . 1 1 113 113 ARG H H 1 8.903 . . 1 . . . . 113 ARG H . 16653 1 1116 . 1 1 113 113 ARG HA H 1 4.804 . . 1 . . . . 113 ARG HA . 16653 1 1117 . 1 1 113 113 ARG HB2 H 1 2.316 . . 2 . . . . 113 ARG HB2 . 16653 1 1118 . 1 1 113 113 ARG HB3 H 1 1.524 . . 2 . . . . 113 ARG HB3 . 16653 1 1119 . 1 1 113 113 ARG HD2 H 1 3.278 . . 2 . . . . 113 ARG HD2 . 16653 1 1120 . 1 1 113 113 ARG HD3 H 1 3.278 . . 2 . . . . 113 ARG HD3 . 16653 1 1121 . 1 1 113 113 ARG HG2 H 1 1.765 . . 2 . . . . 113 ARG HG2 . 16653 1 1122 . 1 1 113 113 ARG HG3 H 1 1.765 . . 2 . . . . 113 ARG HG3 . 16653 1 1123 . 1 1 113 113 ARG CA C 13 55.36 . . 1 . . . . 113 ARG CA . 16653 1 1124 . 1 1 113 113 ARG CB C 13 34.48 . . 1 . . . . 113 ARG CB . 16653 1 1125 . 1 1 113 113 ARG CG C 13 25.31 . . 1 . . . . 113 ARG CG . 16653 1 1126 . 1 1 113 113 ARG N N 15 123.68 . . 1 . . . . 113 ARG N . 16653 1 1127 . 1 1 114 114 ASN H H 1 9.946 . . 1 . . . . 114 ASN H . 16653 1 1128 . 1 1 114 114 ASN HA H 1 4.535 . . 1 . . . . 114 ASN HA . 16653 1 1129 . 1 1 114 114 ASN HB2 H 1 3.132 . . 2 . . . . 114 ASN HB2 . 16653 1 1130 . 1 1 114 114 ASN HB3 H 1 2.717 . . 2 . . . . 114 ASN HB3 . 16653 1 1131 . 1 1 114 114 ASN CA C 13 54.53 . . 1 . . . . 114 ASN CA . 16653 1 1132 . 1 1 114 114 ASN CB C 13 37.64 . . 1 . . . . 114 ASN CB . 16653 1 1133 . 1 1 114 114 ASN N N 15 129.6 . . 1 . . . . 114 ASN N . 16653 1 1134 . 1 1 115 115 GLY H H 1 9.589 . . 1 . . . . 115 GLY H . 16653 1 1135 . 1 1 115 115 GLY HA2 H 1 4.197 . . 2 . . . . 115 GLY HA2 . 16653 1 1136 . 1 1 115 115 GLY HA3 H 1 3.841 . . 2 . . . . 115 GLY HA3 . 16653 1 1137 . 1 1 115 115 GLY CA C 13 46.15 . . 1 . . . . 115 GLY CA . 16653 1 1138 . 1 1 115 115 GLY N N 15 104.1 . . 1 . . . . 115 GLY N . 16653 1 1139 . 1 1 116 116 LYS H H 1 7.907 . . 1 . . . . 116 LYS H . 16653 1 1140 . 1 1 116 116 LYS HA H 1 4.631 . . 1 . . . . 116 LYS HA . 16653 1 1141 . 1 1 116 116 LYS HB2 H 1 1.777 . . 2 . . . . 116 LYS HB2 . 16653 1 1142 . 1 1 116 116 LYS HB3 H 1 1.777 . . 2 . . . . 116 LYS HB3 . 16653 1 1143 . 1 1 116 116 LYS HD2 H 1 1.698 . . 2 . . . . 116 LYS HD2 . 16653 1 1144 . 1 1 116 116 LYS HD3 H 1 1.698 . . 2 . . . . 116 LYS HD3 . 16653 1 1145 . 1 1 116 116 LYS HE2 H 1 3.004 . . 2 . . . . 116 LYS HE2 . 16653 1 1146 . 1 1 116 116 LYS HE3 H 1 3.004 . . 2 . . . . 116 LYS HE3 . 16653 1 1147 . 1 1 116 116 LYS HG2 H 1 1.375 . . 2 . . . . 116 LYS HG2 . 16653 1 1148 . 1 1 116 116 LYS HG3 H 1 1.375 . . 2 . . . . 116 LYS HG3 . 16653 1 1149 . 1 1 116 116 LYS CA C 13 54.63 . . 1 . . . . 116 LYS CA . 16653 1 1150 . 1 1 116 116 LYS CB C 13 35.41 . . 1 . . . . 116 LYS CB . 16653 1 1151 . 1 1 116 116 LYS CD C 13 29.15 . . 1 . . . . 116 LYS CD . 16653 1 1152 . 1 1 116 116 LYS CE C 13 42.12 . . 1 . . . . 116 LYS CE . 16653 1 1153 . 1 1 116 116 LYS CG C 13 24.5 . . 1 . . . . 116 LYS CG . 16653 1 1154 . 1 1 116 116 LYS N N 15 121.1 . . 1 . . . . 116 LYS N . 16653 1 1155 . 1 1 117 117 GLU H H 1 8.354 . . 1 . . . . 117 GLU H . 16653 1 1156 . 1 1 117 117 GLU HA H 1 3.435 . . 1 . . . . 117 GLU HA . 16653 1 1157 . 1 1 117 117 GLU HB2 H 1 1.577 . . 2 . . . . 117 GLU HB2 . 16653 1 1158 . 1 1 117 117 GLU HB3 H 1 1.304 . . 2 . . . . 117 GLU HB3 . 16653 1 1159 . 1 1 117 117 GLU HG2 H 1 2.033 . . 2 . . . . 117 GLU HG2 . 16653 1 1160 . 1 1 117 117 GLU HG3 H 1 2.033 . . 2 . . . . 117 GLU HG3 . 16653 1 1161 . 1 1 117 117 GLU CA C 13 55.89 . . 1 . . . . 117 GLU CA . 16653 1 1162 . 1 1 117 117 GLU CB C 13 30.54 . . 1 . . . . 117 GLU CB . 16653 1 1163 . 1 1 117 117 GLU CG C 13 37.17 . . 1 . . . . 117 GLU CG . 16653 1 1164 . 1 1 117 117 GLU N N 15 125.4 . . 1 . . . . 117 GLU N . 16653 1 1165 . 1 1 118 118 GLU H H 1 9.105 . . 1 . . . . 118 GLU H . 16653 1 1166 . 1 1 118 118 GLU HA H 1 3.435 . . 1 . . . . 118 GLU HA . 16653 1 1167 . 1 1 118 118 GLU HB2 H 1 1.69 . . 2 . . . . 118 GLU HB2 . 16653 1 1168 . 1 1 118 118 GLU HB3 H 1 0.6995 . . 2 . . . . 118 GLU HB3 . 16653 1 1169 . 1 1 118 118 GLU HG2 H 1 1.96 . . 2 . . . . 118 GLU HG2 . 16653 1 1170 . 1 1 118 118 GLU HG3 H 1 1.96 . . 2 . . . . 118 GLU HG3 . 16653 1 1171 . 1 1 118 118 GLU CA C 13 54.53 . . 1 . . . . 118 GLU CA . 16653 1 1172 . 1 1 118 118 GLU CB C 13 33.01 . . 1 . . . . 118 GLU CB . 16653 1 1173 . 1 1 118 118 GLU CG C 13 35.38 . . 1 . . . . 118 GLU CG . 16653 1 1174 . 1 1 118 118 GLU N N 15 129.7 . . 1 . . . . 118 GLU N . 16653 1 1175 . 1 1 119 119 THR H H 1 8.09 . . 1 . . . . 119 THR H . 16653 1 1176 . 1 1 119 119 THR HA H 1 5.521 . . 1 . . . . 119 THR HA . 16653 1 1177 . 1 1 119 119 THR HB H 1 3.786 . . 1 . . . . 119 THR HB . 16653 1 1178 . 1 1 119 119 THR HG21 H 1 1.057 . . 1 . . . . 119 THR MG . 16653 1 1179 . 1 1 119 119 THR HG22 H 1 1.057 . . 1 . . . . 119 THR MG . 16653 1 1180 . 1 1 119 119 THR HG23 H 1 1.057 . . 1 . . . . 119 THR MG . 16653 1 1181 . 1 1 119 119 THR CA C 13 60.09 . . 1 . . . . 119 THR CA . 16653 1 1182 . 1 1 119 119 THR CB C 13 72.56 . . 1 . . . . 119 THR CB . 16653 1 1183 . 1 1 119 119 THR CG2 C 13 21.7 . . 1 . . . . 119 THR CG2 . 16653 1 1184 . 1 1 119 119 THR N N 15 110.6 . . 1 . . . . 119 THR N . 16653 1 1185 . 1 1 120 120 THR H H 1 9.054 . . 1 . . . . 120 THR H . 16653 1 1186 . 1 1 120 120 THR HA H 1 4.832 . . 1 . . . . 120 THR HA . 16653 1 1187 . 1 1 120 120 THR HB H 1 4.449 . . 1 . . . . 120 THR HB . 16653 1 1188 . 1 1 120 120 THR HG21 H 1 1.111 . . 1 . . . . 120 THR MG . 16653 1 1189 . 1 1 120 120 THR HG22 H 1 1.111 . . 1 . . . . 120 THR MG . 16653 1 1190 . 1 1 120 120 THR HG23 H 1 1.111 . . 1 . . . . 120 THR MG . 16653 1 1191 . 1 1 120 120 THR CA C 13 60.27 . . 1 . . . . 120 THR CA . 16653 1 1192 . 1 1 120 120 THR CB C 13 70.15 . . 1 . . . . 120 THR CB . 16653 1 1193 . 1 1 120 120 THR CG2 C 13 21.69 . . 1 . . . . 120 THR CG2 . 16653 1 1194 . 1 1 120 120 THR N N 15 118 . . 1 . . . . 120 THR N . 16653 1 1195 . 1 1 121 121 SER H H 1 8.237 . . 1 . . . . 121 SER H . 16653 1 1196 . 1 1 121 121 SER HA H 1 5.393 . . 1 . . . . 121 SER HA . 16653 1 1197 . 1 1 121 121 SER HB2 H 1 3.646 . . 2 . . . . 121 SER HB2 . 16653 1 1198 . 1 1 121 121 SER HB3 H 1 3.532 . . 2 . . . . 121 SER HB3 . 16653 1 1199 . 1 1 121 121 SER CA C 13 57.2 . . 1 . . . . 121 SER CA . 16653 1 1200 . 1 1 121 121 SER CB C 13 64.26 . . 1 . . . . 121 SER CB . 16653 1 1201 . 1 1 121 121 SER N N 15 122.6 . . 1 . . . . 121 SER N . 16653 1 1202 . 1 1 122 122 ILE H H 1 8.876 . . 1 . . . . 122 ILE H . 16653 1 1203 . 1 1 122 122 ILE HA H 1 3.72 . . 1 . . . . 122 ILE HA . 16653 1 1204 . 1 1 122 122 ILE HB H 1 1.236 . . 1 . . . . 122 ILE HB . 16653 1 1205 . 1 1 122 122 ILE HD11 H 1 0.204 . . 1 . . . . 122 ILE MD . 16653 1 1206 . 1 1 122 122 ILE HD12 H 1 0.204 . . 1 . . . . 122 ILE MD . 16653 1 1207 . 1 1 122 122 ILE HD13 H 1 0.204 . . 1 . . . . 122 ILE MD . 16653 1 1208 . 1 1 122 122 ILE HG12 H 1 0.553 . . 2 . . . . 122 ILE HG12 . 16653 1 1209 . 1 1 122 122 ILE HG13 H 1 0.553 . . 2 . . . . 122 ILE HG13 . 16653 1 1210 . 1 1 122 122 ILE HG21 H 1 0.407 . . 1 . . . . 122 ILE MG . 16653 1 1211 . 1 1 122 122 ILE HG22 H 1 0.407 . . 1 . . . . 122 ILE MG . 16653 1 1212 . 1 1 122 122 ILE HG23 H 1 0.407 . . 1 . . . . 122 ILE MG . 16653 1 1213 . 1 1 122 122 ILE CA C 13 59.87 . . 1 . . . . 122 ILE CA . 16653 1 1214 . 1 1 122 122 ILE CB C 13 41.47 . . 1 . . . . 122 ILE CB . 16653 1 1215 . 1 1 122 122 ILE CD1 C 13 14.74 . . 1 . . . . 122 ILE CD1 . 16653 1 1216 . 1 1 122 122 ILE CG1 C 13 27.03 . . 1 . . . . 122 ILE CG1 . 16653 1 1217 . 1 1 122 122 ILE CG2 C 13 17.57 . . 1 . . . . 122 ILE CG2 . 16653 1 1218 . 1 1 122 122 ILE N N 15 124.3 . . 1 . . . . 122 ILE N . 16653 1 1219 . 1 1 123 123 LYS H H 1 8.578 . . 1 . . . . 123 LYS H . 16653 1 1220 . 1 1 123 123 LYS HA H 1 4.488 . . 1 . . . . 123 LYS HA . 16653 1 1221 . 1 1 123 123 LYS HB2 H 1 1.704 . . 2 . . . . 123 LYS HB2 . 16653 1 1222 . 1 1 123 123 LYS HB3 H 1 1.549 . . 2 . . . . 123 LYS HB3 . 16653 1 1223 . 1 1 123 123 LYS HE2 H 1 2.944 . . 2 . . . . 123 LYS HE2 . 16653 1 1224 . 1 1 123 123 LYS HE3 H 1 2.840 . . 2 . . . . 123 LYS HE3 . 16653 1 1225 . 1 1 123 123 LYS HG2 H 1 1.119 . . 2 . . . . 123 LYS HG2 . 16653 1 1226 . 1 1 123 123 LYS HG3 H 1 1.119 . . 2 . . . . 123 LYS HG3 . 16653 1 1227 . 1 1 123 123 LYS CA C 13 55.12 . . 1 . . . . 123 LYS CA . 16653 1 1228 . 1 1 123 123 LYS CB C 13 32.52 . . 1 . . . . 123 LYS CB . 16653 1 1229 . 1 1 123 123 LYS CD C 13 28.9 . . 1 . . . . 123 LYS CD . 16653 1 1230 . 1 1 123 123 LYS CE C 13 42.15 . . 1 . . . . 123 LYS CE . 16653 1 1231 . 1 1 123 123 LYS CG C 13 24.78 . . 1 . . . . 123 LYS CG . 16653 1 1232 . 1 1 123 123 LYS N N 15 128.595 . . 1 . . . . 123 LYS N . 16653 1 1233 . 1 1 124 124 LEU H H 1 8.904 . . 1 . . . . 124 LEU H . 16653 1 1234 . 1 1 124 124 LEU HA H 1 4.261 . . 1 . . . . 124 LEU HA . 16653 1 1235 . 1 1 124 124 LEU HB2 H 1 1.948 . . 2 . . . . 124 LEU HB2 . 16653 1 1236 . 1 1 124 124 LEU HB3 H 1 1.447 . . 2 . . . . 124 LEU HB3 . 16653 1 1237 . 1 1 124 124 LEU HD11 H 1 0.529 . . 2 . . . . 124 LEU MD1 . 16653 1 1238 . 1 1 124 124 LEU HD12 H 1 0.529 . . 2 . . . . 124 LEU MD1 . 16653 1 1239 . 1 1 124 124 LEU HD13 H 1 0.529 . . 2 . . . . 124 LEU MD1 . 16653 1 1240 . 1 1 124 124 LEU HD21 H 1 0.529 . . 2 . . . . 124 LEU MD2 . 16653 1 1241 . 1 1 124 124 LEU HD22 H 1 0.529 . . 2 . . . . 124 LEU MD2 . 16653 1 1242 . 1 1 124 124 LEU HD23 H 1 0.529 . . 2 . . . . 124 LEU MD2 . 16653 1 1243 . 1 1 124 124 LEU HG H 1 1.447 . . 1 . . . . 124 LEU HG . 16653 1 1244 . 1 1 124 124 LEU CA C 13 53.66 . . 1 . . . . 124 LEU CA . 16653 1 1245 . 1 1 124 124 LEU CB C 13 39.31 . . 1 . . . . 124 LEU CB . 16653 1 1246 . 1 1 124 124 LEU CD1 C 13 21.86 . . 2 . . . . 124 LEU CD1 . 16653 1 1247 . 1 1 124 124 LEU CD2 C 13 21.86 . . 2 . . . . 124 LEU CD2 . 16653 1 1248 . 1 1 124 124 LEU CG C 13 25.95 . . 1 . . . . 124 LEU CG . 16653 1 1249 . 1 1 124 124 LEU N N 15 127.9 . . 1 . . . . 124 LEU N . 16653 1 1250 . 1 1 125 125 ASN H H 1 7.713 . . 1 . . . . 125 ASN H . 16653 1 1251 . 1 1 125 125 ASN HA H 1 4.768 . . 1 . . . . 125 ASN HA . 16653 1 1252 . 1 1 125 125 ASN HB2 H 1 2.96 . . 2 . . . . 125 ASN HB2 . 16653 1 1253 . 1 1 125 125 ASN HB3 H 1 2.487 . . 2 . . . . 125 ASN HB3 . 16653 1 1254 . 1 1 125 125 ASN CA C 13 52.28 . . 1 . . . . 125 ASN CA . 16653 1 1255 . 1 1 125 125 ASN CB C 13 39.2 . . 1 . . . . 125 ASN CB . 16653 1 1256 . 1 1 125 125 ASN N N 15 120.9 . . 1 . . . . 125 ASN N . 16653 1 1257 . 1 1 126 126 LYS H H 1 8.033 . . 1 . . . . 126 LYS H . 16653 1 1258 . 1 1 126 126 LYS HA H 1 4.636 . . 1 . . . . 126 LYS HA . 16653 1 1259 . 1 1 126 126 LYS HB2 H 1 1.74 . . 2 . . . . 126 LYS HB2 . 16653 1 1260 . 1 1 126 126 LYS HB3 H 1 1.593 . . 2 . . . . 126 LYS HB3 . 16653 1 1261 . 1 1 126 126 LYS HD2 H 1 1.593 . . 2 . . . . 126 LYS HD2 . 16653 1 1262 . 1 1 126 126 LYS HD3 H 1 1.593 . . 2 . . . . 126 LYS HD3 . 16653 1 1263 . 1 1 126 126 LYS HE2 H 1 2.935 . . 2 . . . . 126 LYS HE2 . 16653 1 1264 . 1 1 126 126 LYS HE3 H 1 2.935 . . 2 . . . . 126 LYS HE3 . 16653 1 1265 . 1 1 126 126 LYS HG2 H 1 1.369 . . 2 . . . . 126 LYS HG2 . 16653 1 1266 . 1 1 126 126 LYS HG3 H 1 1.369 . . 2 . . . . 126 LYS HG3 . 16653 1 1267 . 1 1 126 126 LYS CA C 13 54.72 . . 1 . . . . 126 LYS CA . 16653 1 1268 . 1 1 126 126 LYS CB C 13 35.83 . . 1 . . . . 126 LYS CB . 16653 1 1269 . 1 1 126 126 LYS CD C 13 28.85 . . 1 . . . . 126 LYS CD . 16653 1 1270 . 1 1 126 126 LYS CE C 13 42.23 . . 1 . . . . 126 LYS CE . 16653 1 1271 . 1 1 126 126 LYS CG C 13 23.49 . . 1 . . . . 126 LYS CG . 16653 1 1272 . 1 1 126 126 LYS N N 15 118.6 . . 1 . . . . 126 LYS N . 16653 1 1273 . 1 1 127 127 LEU H H 1 8.033 . . 1 . . . . 127 LEU H . 16653 1 1274 . 1 1 127 127 LEU HA H 1 4.488 . . 1 . . . . 127 LEU HA . 16653 1 1275 . 1 1 127 127 LEU HB2 H 1 1.485 . . 2 . . . . 127 LEU HB2 . 16653 1 1276 . 1 1 127 127 LEU HB3 H 1 1.411 . . 2 . . . . 127 LEU HB3 . 16653 1 1277 . 1 1 127 127 LEU HD11 H 1 0.706 . . 2 . . . . 127 LEU MD1 . 16653 1 1278 . 1 1 127 127 LEU HD12 H 1 0.706 . . 2 . . . . 127 LEU MD1 . 16653 1 1279 . 1 1 127 127 LEU HD13 H 1 0.706 . . 2 . . . . 127 LEU MD1 . 16653 1 1280 . 1 1 127 127 LEU HD21 H 1 0.784 . . 2 . . . . 127 LEU MD2 . 16653 1 1281 . 1 1 127 127 LEU HD22 H 1 0.784 . . 2 . . . . 127 LEU MD2 . 16653 1 1282 . 1 1 127 127 LEU HD23 H 1 0.784 . . 2 . . . . 127 LEU MD2 . 16653 1 1283 . 1 1 127 127 LEU HG H 1 1.371 . . 1 . . . . 127 LEU HG . 16653 1 1284 . 1 1 127 127 LEU CA C 13 54.49 . . 1 . . . . 127 LEU CA . 16653 1 1285 . 1 1 127 127 LEU CB C 13 43.56 . . 1 . . . . 127 LEU CB . 16653 1 1286 . 1 1 127 127 LEU CD1 C 13 24.53 . . 2 . . . . 127 LEU CD1 . 16653 1 1287 . 1 1 127 127 LEU CD2 C 13 24.53 . . 2 . . . . 127 LEU CD2 . 16653 1 1288 . 1 1 127 127 LEU CG C 13 27 . . 1 . . . . 127 LEU CG . 16653 1 1289 . 1 1 127 127 LEU N N 15 124.8 . . 1 . . . . 127 LEU N . 16653 1 1290 . 1 1 128 128 GLU H H 1 8.559 . . 1 . . . . 128 GLU H . 16653 1 1291 . 1 1 128 128 GLU N N 15 120.9 . . 1 . . . . 128 GLU N . 16653 1 stop_ save_