data_11201 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11201 _Entry.Title ; Solution structure of the fourth PDZ domain of KIAA1095 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-22 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-21 _Entry.Original_release_date 2011-07-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 X. Qin . . . 11201 2 K. Saito . . . 11201 3 T. Kigawa . . . 11201 4 F. Hayashi . . . 11201 5 S. Yokoyama . . . 11201 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11201 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11201 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 519 11201 '15N chemical shifts' 139 11201 '1H chemical shifts' 844 11201 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 . . 2011-07-21 2010-07-22 original author . 11201 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WH1 'BMRB Entry Tracking System' 11201 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11201 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the fourth PDZ domain of KIAA1095 protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 X. Qin . . . 11201 1 2 K. Saito . . . 11201 1 3 T. Kigawa . . . 11201 1 4 F. Hayashi . . . 11201 1 5 S. Yokoyama . . . 11201 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11201 _Assembly.ID 1 _Assembly.Name 'KIAA1095 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'PDZ domain of KIAA1095 protein' 1 $entity_1 A . yes native no no . . . 11201 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1wh1 . . . . . . 11201 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11201 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PDZ domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGDIHQEMDREELEL EEVDLYRMNSQDKLGLTVCY RTDDEDDIGIYISEIDPNSI AAKDGRIREGDRIIQINGIE VQNREEAVALLTSEENKNFS LLIARPELQLDEGWMDDDSG PSSG ; _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1WH1 . "Solution Structure Of The Fourth Pdz Domain Of Kiaa1095 Protein" . . . . . 100.00 124 100.00 100.00 3.24e-81 . . . . 11201 1 2 no DBJ BAA83047 . "KIAA1095 protein [Homo sapiens]" . . . . . 90.32 1066 100.00 100.00 2.74e-67 . . . . 11201 1 3 no DBJ BAC11068 . "unnamed protein product [Homo sapiens]" . . . . . 85.48 320 100.00 100.00 1.42e-66 . . . . 11201 1 4 no DBJ BAD32376 . "mKIAA1095 protein [Mus musculus]" . . . . . 90.32 1052 98.21 99.11 8.00e-66 . . . . 11201 1 5 no DBJ BAE25317 . "unnamed protein product [Mus musculus]" . . . . . 90.32 864 98.21 99.11 2.06e-66 . . . . 11201 1 6 no DBJ BAG09968 . "PDZ domain-containing RING finger protein 3 [synthetic construct]" . . . . . 90.32 1066 100.00 100.00 2.74e-67 . . . . 11201 1 7 no GB AAF22131 . "semaphorin cytoplasmic domain-associated protein 3A [Mus musculus]" . . . . . 90.32 1063 98.21 99.11 1.05e-65 . . . . 11201 1 8 no GB AAF22132 . "semaphorin cytoplasmic domain-associated protein 3B [Mus musculus]" . . . . . 90.32 1011 98.21 99.11 7.21e-66 . . . . 11201 1 9 no GB AAH10329 . "Pdzrn3 protein [Mus musculus]" . . . . . 85.48 654 99.06 99.06 8.19e-63 . . . . 11201 1 10 no GB AAI50624 . "PDZ domain containing ring finger 3 [Homo sapiens]" . . . . . 90.32 1066 100.00 100.00 2.86e-67 . . . . 11201 1 11 no GB AAI52418 . "PDZ domain containing ring finger 3 [Homo sapiens]" . . . . . 90.32 1066 100.00 100.00 2.74e-67 . . . . 11201 1 12 no REF NP_001258180 . "E3 ubiquitin-protein ligase PDZRN3 [Rattus norvegicus]" . . . . . 90.32 1063 98.21 99.11 1.17e-65 . . . . 11201 1 13 no REF NP_001290068 . "E3 ubiquitin-protein ligase PDZRN3 isoform 2 [Homo sapiens]" . . . . . 90.32 764 100.00 100.00 2.63e-68 . . . . 11201 1 14 no REF NP_001290069 . "E3 ubiquitin-protein ligase PDZRN3 isoform 3 [Homo sapiens]" . . . . . 90.32 723 100.00 100.00 2.52e-68 . . . . 11201 1 15 no REF NP_001290070 . "E3 ubiquitin-protein ligase PDZRN3 isoform 4 [Homo sapiens]" . . . . . 90.32 788 100.00 100.00 5.00e-68 . . . . 11201 1 16 no REF NP_001290071 . "E3 ubiquitin-protein ligase PDZRN3 isoform 5 [Homo sapiens]" . . . . . 90.32 783 100.00 100.00 3.57e-68 . . . . 11201 1 17 no SP P68907 . "RecName: Full=E3 ubiquitin-protein ligase PDZRN3; AltName: Full=PDZ domain-containing RING finger protein 3; AltName: Full=Sema" . . . . . 90.32 1062 98.21 99.11 1.17e-65 . . . . 11201 1 18 no SP Q69ZS0 . "RecName: Full=E3 ubiquitin-protein ligase PDZRN3; AltName: Full=PDZ domain-containing RING finger protein 3; AltName: Full=Sema" . . . . . 90.32 1063 98.21 99.11 8.82e-66 . . . . 11201 1 19 no SP Q9UPQ7 . "RecName: Full=E3 ubiquitin-protein ligase PDZRN3; AltName: Full=Ligand of Numb protein X 3; AltName: Full=PDZ domain-containing" . . . . . 90.32 1066 100.00 100.00 2.74e-67 . . . . 11201 1 20 no TPG DAA17105 . "TPA: KIAA1095 protein-like isoform 1 [Bos taurus]" . . . . . 88.71 1065 99.09 100.00 4.18e-65 . . . . 11201 1 21 no TPG DAA17106 . "TPA: KIAA1095 protein-like isoform 2 [Bos taurus]" . . . . . 88.71 1061 99.09 100.00 4.45e-65 . . . . 11201 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 11201 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 . GLY . 11201 1 2 . SER . 11201 1 3 . SER . 11201 1 4 . GLY . 11201 1 5 . SER . 11201 1 6 . SER . 11201 1 7 . GLY . 11201 1 8 . ASP . 11201 1 9 . ILE . 11201 1 10 . HIS . 11201 1 11 . GLN . 11201 1 12 . GLU . 11201 1 13 . MET . 11201 1 14 . ASP . 11201 1 15 . ARG . 11201 1 16 . GLU . 11201 1 17 . GLU . 11201 1 18 . LEU . 11201 1 19 . GLU . 11201 1 20 . LEU . 11201 1 21 . GLU . 11201 1 22 . GLU . 11201 1 23 . VAL . 11201 1 24 . ASP . 11201 1 25 . LEU . 11201 1 26 . TYR . 11201 1 27 . ARG . 11201 1 28 . MET . 11201 1 29 . ASN . 11201 1 30 . SER . 11201 1 31 . GLN . 11201 1 32 . ASP . 11201 1 33 . LYS . 11201 1 34 . LEU . 11201 1 35 . GLY . 11201 1 36 . LEU . 11201 1 37 . THR . 11201 1 38 . VAL . 11201 1 39 . CYS . 11201 1 40 . TYR . 11201 1 41 . ARG . 11201 1 42 . THR . 11201 1 43 . ASP . 11201 1 44 . ASP . 11201 1 45 . GLU . 11201 1 46 . ASP . 11201 1 47 . ASP . 11201 1 48 . ILE . 11201 1 49 . GLY . 11201 1 50 . ILE . 11201 1 51 . TYR . 11201 1 52 . ILE . 11201 1 53 . SER . 11201 1 54 . GLU . 11201 1 55 . ILE . 11201 1 56 . ASP . 11201 1 57 . PRO . 11201 1 58 . ASN . 11201 1 59 . SER . 11201 1 60 . ILE . 11201 1 61 . ALA . 11201 1 62 . ALA . 11201 1 63 . LYS . 11201 1 64 . ASP . 11201 1 65 . GLY . 11201 1 66 . ARG . 11201 1 67 . ILE . 11201 1 68 . ARG . 11201 1 69 . GLU . 11201 1 70 . GLY . 11201 1 71 . ASP . 11201 1 72 . ARG . 11201 1 73 . ILE . 11201 1 74 . ILE . 11201 1 75 . GLN . 11201 1 76 . ILE . 11201 1 77 . ASN . 11201 1 78 . GLY . 11201 1 79 . ILE . 11201 1 80 . GLU . 11201 1 81 . VAL . 11201 1 82 . GLN . 11201 1 83 . ASN . 11201 1 84 . ARG . 11201 1 85 . GLU . 11201 1 86 . GLU . 11201 1 87 . ALA . 11201 1 88 . VAL . 11201 1 89 . ALA . 11201 1 90 . LEU . 11201 1 91 . LEU . 11201 1 92 . THR . 11201 1 93 . SER . 11201 1 94 . GLU . 11201 1 95 . GLU . 11201 1 96 . ASN . 11201 1 97 . LYS . 11201 1 98 . ASN . 11201 1 99 . PHE . 11201 1 100 . SER . 11201 1 101 . LEU . 11201 1 102 . LEU . 11201 1 103 . ILE . 11201 1 104 . ALA . 11201 1 105 . ARG . 11201 1 106 . PRO . 11201 1 107 . GLU . 11201 1 108 . LEU . 11201 1 109 . GLN . 11201 1 110 . LEU . 11201 1 111 . ASP . 11201 1 112 . GLU . 11201 1 113 . GLY . 11201 1 114 . TRP . 11201 1 115 . MET . 11201 1 116 . ASP . 11201 1 117 . ASP . 11201 1 118 . ASP . 11201 1 119 . SER . 11201 1 120 . GLY . 11201 1 121 . PRO . 11201 1 122 . SER . 11201 1 123 . SER . 11201 1 124 . GLY . 11201 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11201 1 . SER 2 2 11201 1 . SER 3 3 11201 1 . GLY 4 4 11201 1 . SER 5 5 11201 1 . SER 6 6 11201 1 . GLY 7 7 11201 1 . ASP 8 8 11201 1 . ILE 9 9 11201 1 . HIS 10 10 11201 1 . GLN 11 11 11201 1 . GLU 12 12 11201 1 . MET 13 13 11201 1 . ASP 14 14 11201 1 . ARG 15 15 11201 1 . GLU 16 16 11201 1 . GLU 17 17 11201 1 . LEU 18 18 11201 1 . GLU 19 19 11201 1 . LEU 20 20 11201 1 . GLU 21 21 11201 1 . GLU 22 22 11201 1 . VAL 23 23 11201 1 . ASP 24 24 11201 1 . LEU 25 25 11201 1 . TYR 26 26 11201 1 . ARG 27 27 11201 1 . MET 28 28 11201 1 . ASN 29 29 11201 1 . SER 30 30 11201 1 . GLN 31 31 11201 1 . ASP 32 32 11201 1 . LYS 33 33 11201 1 . LEU 34 34 11201 1 . GLY 35 35 11201 1 . LEU 36 36 11201 1 . THR 37 37 11201 1 . VAL 38 38 11201 1 . CYS 39 39 11201 1 . TYR 40 40 11201 1 . ARG 41 41 11201 1 . THR 42 42 11201 1 . ASP 43 43 11201 1 . ASP 44 44 11201 1 . GLU 45 45 11201 1 . ASP 46 46 11201 1 . ASP 47 47 11201 1 . ILE 48 48 11201 1 . GLY 49 49 11201 1 . ILE 50 50 11201 1 . TYR 51 51 11201 1 . ILE 52 52 11201 1 . SER 53 53 11201 1 . GLU 54 54 11201 1 . ILE 55 55 11201 1 . ASP 56 56 11201 1 . PRO 57 57 11201 1 . ASN 58 58 11201 1 . SER 59 59 11201 1 . ILE 60 60 11201 1 . ALA 61 61 11201 1 . ALA 62 62 11201 1 . LYS 63 63 11201 1 . ASP 64 64 11201 1 . GLY 65 65 11201 1 . ARG 66 66 11201 1 . ILE 67 67 11201 1 . ARG 68 68 11201 1 . GLU 69 69 11201 1 . GLY 70 70 11201 1 . ASP 71 71 11201 1 . ARG 72 72 11201 1 . ILE 73 73 11201 1 . ILE 74 74 11201 1 . GLN 75 75 11201 1 . ILE 76 76 11201 1 . ASN 77 77 11201 1 . GLY 78 78 11201 1 . ILE 79 79 11201 1 . GLU 80 80 11201 1 . VAL 81 81 11201 1 . GLN 82 82 11201 1 . ASN 83 83 11201 1 . ARG 84 84 11201 1 . GLU 85 85 11201 1 . GLU 86 86 11201 1 . ALA 87 87 11201 1 . VAL 88 88 11201 1 . ALA 89 89 11201 1 . LEU 90 90 11201 1 . LEU 91 91 11201 1 . THR 92 92 11201 1 . SER 93 93 11201 1 . GLU 94 94 11201 1 . GLU 95 95 11201 1 . ASN 96 96 11201 1 . LYS 97 97 11201 1 . ASN 98 98 11201 1 . PHE 99 99 11201 1 . SER 100 100 11201 1 . LEU 101 101 11201 1 . LEU 102 102 11201 1 . ILE 103 103 11201 1 . ALA 104 104 11201 1 . ARG 105 105 11201 1 . PRO 106 106 11201 1 . GLU 107 107 11201 1 . LEU 108 108 11201 1 . GLN 109 109 11201 1 . LEU 110 110 11201 1 . ASP 111 111 11201 1 . GLU 112 112 11201 1 . GLY 113 113 11201 1 . TRP 114 114 11201 1 . MET 115 115 11201 1 . ASP 116 116 11201 1 . ASP 117 117 11201 1 . ASP 118 118 11201 1 . SER 119 119 11201 1 . GLY 120 120 11201 1 . PRO 121 121 11201 1 . SER 122 122 11201 1 . SER 123 123 11201 1 . GLY 124 124 11201 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 11201 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11201 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 11201 _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 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P021030-39 . . . . . . 11201 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11201 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.10mM 13C, 15N-labeled {protein;20mM} {PiNa(pH6.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; _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 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.10 . . mM . . . . 11201 1 2 PiNa 'natural abundance' . . . . . buffer 20 . . mM . . . . 11201 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11201 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11201 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11201 1 6 H2O . . . . . . solvent 90 . . % . . . . 11201 1 7 D2O . . . . . . solvent 10 . . % . . . . 11201 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11201 _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' 120 0.1 mM 11201 1 pH 6.0 0.05 pH 11201 1 pressure 1 0.001 atm 11201 1 temperature 298 0.1 K 11201 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11201 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11201 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11201 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11201 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Delaglio.F. . . 11201 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11201 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11201 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11201 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11201 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11201 _Software.ID 4 _Software.Name Kujira _Software.Version 0.854 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11201 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11201 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11201 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11201 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11201 5 'structure solution' 11201 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11201 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 11201 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11201 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 11201 _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 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11201 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11201 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11201 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11201 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11201 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11201 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11201 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11201 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11201 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11201 1 2 $NMRPipe . . 11201 1 3 $NMRView . . 11201 1 4 $Kujira . . 11201 1 5 $CYANA . . 11201 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 SER HA H 1 4.503 0.030 . 1 . . . . 2 SER HA . 11201 1 2 . 1 1 2 2 SER HB2 H 1 3.851 0.030 . 1 . . . . 2 SER HB2 . 11201 1 3 . 1 1 2 2 SER HB3 H 1 3.851 0.030 . 1 . . . . 2 SER HB3 . 11201 1 4 . 1 1 2 2 SER C C 13 172.472 0.300 . 1 . . . . 2 SER C . 11201 1 5 . 1 1 2 2 SER CA C 13 56.049 0.300 . 1 . . . . 2 SER CA . 11201 1 6 . 1 1 2 2 SER CB C 13 61.597 0.300 . 1 . . . . 2 SER CB . 11201 1 7 . 1 1 3 3 SER H H 1 8.522 0.030 . 1 . . . . 3 SER H . 11201 1 8 . 1 1 3 3 SER HA H 1 4.444 0.030 . 1 . . . . 3 SER HA . 11201 1 9 . 1 1 3 3 SER HB2 H 1 3.851 0.030 . 1 . . . . 3 SER HB2 . 11201 1 10 . 1 1 3 3 SER HB3 H 1 3.851 0.030 . 1 . . . . 3 SER HB3 . 11201 1 11 . 1 1 3 3 SER C C 13 172.752 0.300 . 1 . . . . 3 SER C . 11201 1 12 . 1 1 3 3 SER CA C 13 56.284 0.300 . 1 . . . . 3 SER CA . 11201 1 13 . 1 1 3 3 SER CB C 13 61.526 0.300 . 1 . . . . 3 SER CB . 11201 1 14 . 1 1 3 3 SER N N 15 117.740 0.300 . 1 . . . . 3 SER N . 11201 1 15 . 1 1 4 4 GLY H H 1 8.407 0.030 . 1 . . . . 4 GLY H . 11201 1 16 . 1 1 4 4 GLY HA2 H 1 3.956 0.030 . 1 . . . . 4 GLY HA2 . 11201 1 17 . 1 1 4 4 GLY HA3 H 1 3.956 0.030 . 1 . . . . 4 GLY HA3 . 11201 1 18 . 1 1 4 4 GLY C C 13 172.004 0.300 . 1 . . . . 4 GLY C . 11201 1 19 . 1 1 4 4 GLY CA C 13 43.038 0.300 . 1 . . . . 4 GLY CA . 11201 1 20 . 1 1 4 4 GLY N N 15 110.649 0.300 . 1 . . . . 4 GLY N . 11201 1 21 . 1 1 5 5 SER H H 1 8.230 0.030 . 1 . . . . 5 SER H . 11201 1 22 . 1 1 5 5 SER HA H 1 4.450 0.030 . 1 . . . . 5 SER HA . 11201 1 23 . 1 1 5 5 SER HB2 H 1 3.861 0.030 . 1 . . . . 5 SER HB2 . 11201 1 24 . 1 1 5 5 SER HB3 H 1 3.861 0.030 . 1 . . . . 5 SER HB3 . 11201 1 25 . 1 1 5 5 SER C C 13 172.646 0.300 . 1 . . . . 5 SER C . 11201 1 26 . 1 1 5 5 SER CA C 13 55.936 0.300 . 1 . . . . 5 SER CA . 11201 1 27 . 1 1 5 5 SER CB C 13 61.660 0.300 . 1 . . . . 5 SER CB . 11201 1 28 . 1 1 5 5 SER N N 15 115.556 0.300 . 1 . . . . 5 SER N . 11201 1 29 . 1 1 6 6 SER H H 1 8.394 0.030 . 1 . . . . 6 SER H . 11201 1 30 . 1 1 6 6 SER HA H 1 4.398 0.030 . 1 . . . . 6 SER HA . 11201 1 31 . 1 1 6 6 SER HB2 H 1 3.882 0.030 . 1 . . . . 6 SER HB2 . 11201 1 32 . 1 1 6 6 SER HB3 H 1 3.882 0.030 . 1 . . . . 6 SER HB3 . 11201 1 33 . 1 1 6 6 SER C C 13 172.736 0.300 . 1 . . . . 6 SER C . 11201 1 34 . 1 1 6 6 SER CA C 13 56.526 0.300 . 1 . . . . 6 SER CA . 11201 1 35 . 1 1 6 6 SER CB C 13 61.498 0.300 . 1 . . . . 6 SER CB . 11201 1 36 . 1 1 6 6 SER N N 15 117.529 0.300 . 1 . . . . 6 SER N . 11201 1 37 . 1 1 7 7 GLY H H 1 8.311 0.030 . 1 . . . . 7 GLY H . 11201 1 38 . 1 1 7 7 GLY HA2 H 1 3.889 0.030 . 1 . . . . 7 GLY HA2 . 11201 1 39 . 1 1 7 7 GLY HA3 H 1 3.889 0.030 . 1 . . . . 7 GLY HA3 . 11201 1 40 . 1 1 7 7 GLY C C 13 171.486 0.300 . 1 . . . . 7 GLY C . 11201 1 41 . 1 1 7 7 GLY CA C 13 43.023 0.300 . 1 . . . . 7 GLY CA . 11201 1 42 . 1 1 7 7 GLY N N 15 110.231 0.300 . 1 . . . . 7 GLY N . 11201 1 43 . 1 1 8 8 ASP H H 1 8.090 0.030 . 1 . . . . 8 ASP H . 11201 1 44 . 1 1 8 8 ASP HA H 1 4.534 0.030 . 1 . . . . 8 ASP HA . 11201 1 45 . 1 1 8 8 ASP HB2 H 1 2.605 0.030 . 2 . . . . 8 ASP HB2 . 11201 1 46 . 1 1 8 8 ASP HB3 H 1 2.491 0.030 . 2 . . . . 8 ASP HB3 . 11201 1 47 . 1 1 8 8 ASP C C 13 173.980 0.300 . 1 . . . . 8 ASP C . 11201 1 48 . 1 1 8 8 ASP CA C 13 51.894 0.300 . 1 . . . . 8 ASP CA . 11201 1 49 . 1 1 8 8 ASP CB C 13 38.904 0.300 . 1 . . . . 8 ASP CB . 11201 1 50 . 1 1 8 8 ASP N N 15 120.149 0.300 . 1 . . . . 8 ASP N . 11201 1 51 . 1 1 9 9 ILE H H 1 7.966 0.030 . 1 . . . . 9 ILE H . 11201 1 52 . 1 1 9 9 ILE HA H 1 4.058 0.030 . 1 . . . . 9 ILE HA . 11201 1 53 . 1 1 9 9 ILE HB H 1 1.763 0.030 . 1 . . . . 9 ILE HB . 11201 1 54 . 1 1 9 9 ILE HD11 H 1 0.738 0.030 . 1 . . . . 9 ILE HD1 . 11201 1 55 . 1 1 9 9 ILE HD12 H 1 0.738 0.030 . 1 . . . . 9 ILE HD1 . 11201 1 56 . 1 1 9 9 ILE HD13 H 1 0.738 0.030 . 1 . . . . 9 ILE HD1 . 11201 1 57 . 1 1 9 9 ILE HG12 H 1 1.234 0.030 . 2 . . . . 9 ILE HG12 . 11201 1 58 . 1 1 9 9 ILE HG13 H 1 1.055 0.030 . 2 . . . . 9 ILE HG13 . 11201 1 59 . 1 1 9 9 ILE HG21 H 1 0.749 0.030 . 1 . . . . 9 ILE HG2 . 11201 1 60 . 1 1 9 9 ILE HG22 H 1 0.749 0.030 . 1 . . . . 9 ILE HG2 . 11201 1 61 . 1 1 9 9 ILE HG23 H 1 0.749 0.030 . 1 . . . . 9 ILE HG2 . 11201 1 62 . 1 1 9 9 ILE C C 13 173.894 0.300 . 1 . . . . 9 ILE C . 11201 1 63 . 1 1 9 9 ILE CA C 13 58.965 0.300 . 1 . . . . 9 ILE CA . 11201 1 64 . 1 1 9 9 ILE CB C 13 36.287 0.300 . 1 . . . . 9 ILE CB . 11201 1 65 . 1 1 9 9 ILE CD1 C 13 10.752 0.300 . 1 . . . . 9 ILE CD1 . 11201 1 66 . 1 1 9 9 ILE CG1 C 13 24.789 0.300 . 1 . . . . 9 ILE CG1 . 11201 1 67 . 1 1 9 9 ILE CG2 C 13 15.107 0.300 . 1 . . . . 9 ILE CG2 . 11201 1 68 . 1 1 9 9 ILE N N 15 120.246 0.300 . 1 . . . . 9 ILE N . 11201 1 69 . 1 1 10 10 HIS H H 1 8.513 0.030 . 1 . . . . 10 HIS H . 11201 1 70 . 1 1 10 10 HIS HA H 1 4.618 0.030 . 1 . . . . 10 HIS HA . 11201 1 71 . 1 1 10 10 HIS HB2 H 1 3.183 0.030 . 2 . . . . 10 HIS HB2 . 11201 1 72 . 1 1 10 10 HIS HB3 H 1 3.093 0.030 . 2 . . . . 10 HIS HB3 . 11201 1 73 . 1 1 10 10 HIS HD2 H 1 7.168 0.030 . 1 . . . . 10 HIS HD2 . 11201 1 74 . 1 1 10 10 HIS HE1 H 1 8.422 0.030 . 1 . . . . 10 HIS HE1 . 11201 1 75 . 1 1 10 10 HIS C C 13 172.167 0.300 . 1 . . . . 10 HIS C . 11201 1 76 . 1 1 10 10 HIS CA C 13 53.272 0.300 . 1 . . . . 10 HIS CA . 11201 1 77 . 1 1 10 10 HIS CB C 13 26.733 0.300 . 1 . . . . 10 HIS CB . 11201 1 78 . 1 1 10 10 HIS CD2 C 13 117.817 0.300 . 1 . . . . 10 HIS CD2 . 11201 1 79 . 1 1 10 10 HIS CE1 C 13 134.425 0.300 . 1 . . . . 10 HIS CE1 . 11201 1 80 . 1 1 10 10 HIS N N 15 122.264 0.300 . 1 . . . . 10 HIS N . 11201 1 81 . 1 1 11 11 GLN H H 1 8.316 0.030 . 1 . . . . 11 GLN H . 11201 1 82 . 1 1 11 11 GLN HA H 1 4.256 0.030 . 1 . . . . 11 GLN HA . 11201 1 83 . 1 1 11 11 GLN HB2 H 1 1.979 0.030 . 1 . . . . 11 GLN HB2 . 11201 1 84 . 1 1 11 11 GLN HB3 H 1 1.979 0.030 . 1 . . . . 11 GLN HB3 . 11201 1 85 . 1 1 11 11 GLN HE21 H 1 7.506 0.030 . 2 . . . . 11 GLN HE21 . 11201 1 86 . 1 1 11 11 GLN HE22 H 1 6.785 0.030 . 2 . . . . 11 GLN HE22 . 11201 1 87 . 1 1 11 11 GLN HG2 H 1 2.254 0.030 . 1 . . . . 11 GLN HG2 . 11201 1 88 . 1 1 11 11 GLN HG3 H 1 2.254 0.030 . 1 . . . . 11 GLN HG3 . 11201 1 89 . 1 1 11 11 GLN C C 13 173.459 0.300 . 1 . . . . 11 GLN C . 11201 1 90 . 1 1 11 11 GLN CA C 13 53.605 0.300 . 1 . . . . 11 GLN CA . 11201 1 91 . 1 1 11 11 GLN CB C 13 27.854 0.300 . 1 . . . . 11 GLN CB . 11201 1 92 . 1 1 11 11 GLN CG C 13 31.309 0.300 . 1 . . . . 11 GLN CG . 11201 1 93 . 1 1 11 11 GLN N N 15 121.731 0.300 . 1 . . . . 11 GLN N . 11201 1 94 . 1 1 11 11 GLN NE2 N 15 112.500 0.300 . 1 . . . . 11 GLN NE2 . 11201 1 95 . 1 1 12 12 GLU H H 1 8.509 0.030 . 1 . . . . 12 GLU H . 11201 1 96 . 1 1 12 12 GLU HA H 1 4.196 0.030 . 1 . . . . 12 GLU HA . 11201 1 97 . 1 1 12 12 GLU HB2 H 1 1.987 0.030 . 2 . . . . 12 GLU HB2 . 11201 1 98 . 1 1 12 12 GLU HB3 H 1 1.869 0.030 . 2 . . . . 12 GLU HB3 . 11201 1 99 . 1 1 12 12 GLU HG2 H 1 2.213 0.030 . 1 . . . . 12 GLU HG2 . 11201 1 100 . 1 1 12 12 GLU HG3 H 1 2.213 0.030 . 1 . . . . 12 GLU HG3 . 11201 1 101 . 1 1 12 12 GLU C C 13 174.214 0.300 . 1 . . . . 12 GLU C . 11201 1 102 . 1 1 12 12 GLU CA C 13 54.386 0.300 . 1 . . . . 12 GLU CA . 11201 1 103 . 1 1 12 12 GLU CB C 13 27.671 0.300 . 1 . . . . 12 GLU CB . 11201 1 104 . 1 1 12 12 GLU CG C 13 33.776 0.300 . 1 . . . . 12 GLU CG . 11201 1 105 . 1 1 12 12 GLU N N 15 121.948 0.300 . 1 . . . . 12 GLU N . 11201 1 106 . 1 1 13 13 MET H H 1 8.308 0.030 . 1 . . . . 13 MET H . 11201 1 107 . 1 1 13 13 MET HA H 1 4.391 0.030 . 1 . . . . 13 MET HA . 11201 1 108 . 1 1 13 13 MET HB2 H 1 2.009 0.030 . 2 . . . . 13 MET HB2 . 11201 1 109 . 1 1 13 13 MET HB3 H 1 1.924 0.030 . 2 . . . . 13 MET HB3 . 11201 1 110 . 1 1 13 13 MET HE1 H 1 1.995 0.030 . 1 . . . . 13 MET HE . 11201 1 111 . 1 1 13 13 MET HE2 H 1 1.995 0.030 . 1 . . . . 13 MET HE . 11201 1 112 . 1 1 13 13 MET HE3 H 1 1.995 0.030 . 1 . . . . 13 MET HE . 11201 1 113 . 1 1 13 13 MET HG2 H 1 2.510 0.030 . 2 . . . . 13 MET HG2 . 11201 1 114 . 1 1 13 13 MET HG3 H 1 2.444 0.030 . 2 . . . . 13 MET HG3 . 11201 1 115 . 1 1 13 13 MET C C 13 173.594 0.300 . 1 . . . . 13 MET C . 11201 1 116 . 1 1 13 13 MET CA C 13 53.275 0.300 . 1 . . . . 13 MET CA . 11201 1 117 . 1 1 13 13 MET CB C 13 30.841 0.300 . 1 . . . . 13 MET CB . 11201 1 118 . 1 1 13 13 MET CE C 13 14.744 0.300 . 1 . . . . 13 MET CE . 11201 1 119 . 1 1 13 13 MET CG C 13 29.709 0.300 . 1 . . . . 13 MET CG . 11201 1 120 . 1 1 13 13 MET N N 15 120.597 0.300 . 1 . . . . 13 MET N . 11201 1 121 . 1 1 14 14 ASP H H 1 8.319 0.030 . 1 . . . . 14 ASP H . 11201 1 122 . 1 1 14 14 ASP HA H 1 4.518 0.030 . 1 . . . . 14 ASP HA . 11201 1 123 . 1 1 14 14 ASP HB2 H 1 2.641 0.030 . 2 . . . . 14 ASP HB2 . 11201 1 124 . 1 1 14 14 ASP HB3 H 1 2.545 0.030 . 2 . . . . 14 ASP HB3 . 11201 1 125 . 1 1 14 14 ASP C C 13 173.747 0.300 . 1 . . . . 14 ASP C . 11201 1 126 . 1 1 14 14 ASP CA C 13 52.181 0.300 . 1 . . . . 14 ASP CA . 11201 1 127 . 1 1 14 14 ASP CB C 13 38.763 0.300 . 1 . . . . 14 ASP CB . 11201 1 128 . 1 1 14 14 ASP N N 15 121.403 0.300 . 1 . . . . 14 ASP N . 11201 1 129 . 1 1 15 15 ARG H H 1 8.131 0.030 . 1 . . . . 15 ARG H . 11201 1 130 . 1 1 15 15 ARG HA H 1 4.260 0.030 . 1 . . . . 15 ARG HA . 11201 1 131 . 1 1 15 15 ARG HB2 H 1 1.793 0.030 . 2 . . . . 15 ARG HB2 . 11201 1 132 . 1 1 15 15 ARG HB3 H 1 1.689 0.030 . 2 . . . . 15 ARG HB3 . 11201 1 133 . 1 1 15 15 ARG HD2 H 1 3.108 0.030 . 1 . . . . 15 ARG HD2 . 11201 1 134 . 1 1 15 15 ARG HD3 H 1 3.108 0.030 . 1 . . . . 15 ARG HD3 . 11201 1 135 . 1 1 15 15 ARG HE H 1 7.236 0.030 . 1 . . . . 15 ARG HE . 11201 1 136 . 1 1 15 15 ARG HG2 H 1 1.534 0.030 . 1 . . . . 15 ARG HG2 . 11201 1 137 . 1 1 15 15 ARG HG3 H 1 1.534 0.030 . 1 . . . . 15 ARG HG3 . 11201 1 138 . 1 1 15 15 ARG C C 13 173.859 0.300 . 1 . . . . 15 ARG C . 11201 1 139 . 1 1 15 15 ARG CA C 13 53.771 0.300 . 1 . . . . 15 ARG CA . 11201 1 140 . 1 1 15 15 ARG CB C 13 28.721 0.300 . 1 . . . . 15 ARG CB . 11201 1 141 . 1 1 15 15 ARG CD C 13 41.104 0.300 . 1 . . . . 15 ARG CD . 11201 1 142 . 1 1 15 15 ARG CG C 13 24.704 0.300 . 1 . . . . 15 ARG CG . 11201 1 143 . 1 1 15 15 ARG N N 15 120.666 0.300 . 1 . . . . 15 ARG N . 11201 1 144 . 1 1 15 15 ARG NE N 15 84.406 0.300 . 1 . . . . 15 ARG NE . 11201 1 145 . 1 1 16 16 GLU H H 1 8.400 0.030 . 1 . . . . 16 GLU H . 11201 1 146 . 1 1 16 16 GLU HA H 1 4.205 0.030 . 1 . . . . 16 GLU HA . 11201 1 147 . 1 1 16 16 GLU HB2 H 1 1.947 0.030 . 1 . . . . 16 GLU HB2 . 11201 1 148 . 1 1 16 16 GLU HB3 H 1 1.947 0.030 . 1 . . . . 16 GLU HB3 . 11201 1 149 . 1 1 16 16 GLU HG2 H 1 2.211 0.030 . 2 . . . . 16 GLU HG2 . 11201 1 150 . 1 1 16 16 GLU HG3 H 1 2.166 0.030 . 2 . . . . 16 GLU HG3 . 11201 1 151 . 1 1 16 16 GLU C C 13 173.952 0.300 . 1 . . . . 16 GLU C . 11201 1 152 . 1 1 16 16 GLU CA C 13 54.301 0.300 . 1 . . . . 16 GLU CA . 11201 1 153 . 1 1 16 16 GLU CB C 13 27.916 0.300 . 1 . . . . 16 GLU CB . 11201 1 154 . 1 1 16 16 GLU CG C 13 33.795 0.300 . 1 . . . . 16 GLU CG . 11201 1 155 . 1 1 16 16 GLU N N 15 121.469 0.300 . 1 . . . . 16 GLU N . 11201 1 156 . 1 1 17 17 GLU H H 1 8.369 0.030 . 1 . . . . 17 GLU H . 11201 1 157 . 1 1 17 17 GLU HA H 1 4.255 0.030 . 1 . . . . 17 GLU HA . 11201 1 158 . 1 1 17 17 GLU HB2 H 1 1.967 0.030 . 2 . . . . 17 GLU HB2 . 11201 1 159 . 1 1 17 17 GLU HB3 H 1 1.847 0.030 . 2 . . . . 17 GLU HB3 . 11201 1 160 . 1 1 17 17 GLU HG2 H 1 2.202 0.030 . 2 . . . . 17 GLU HG2 . 11201 1 161 . 1 1 17 17 GLU HG3 H 1 2.165 0.030 . 2 . . . . 17 GLU HG3 . 11201 1 162 . 1 1 17 17 GLU C C 13 173.593 0.300 . 1 . . . . 17 GLU C . 11201 1 163 . 1 1 17 17 GLU CA C 13 53.996 0.300 . 1 . . . . 17 GLU CA . 11201 1 164 . 1 1 17 17 GLU CB C 13 27.719 0.300 . 1 . . . . 17 GLU CB . 11201 1 165 . 1 1 17 17 GLU CG C 13 33.587 0.300 . 1 . . . . 17 GLU CG . 11201 1 166 . 1 1 17 17 GLU N N 15 121.207 0.300 . 1 . . . . 17 GLU N . 11201 1 167 . 1 1 18 18 LEU H H 1 8.024 0.030 . 1 . . . . 18 LEU H . 11201 1 168 . 1 1 18 18 LEU HA H 1 4.429 0.030 . 1 . . . . 18 LEU HA . 11201 1 169 . 1 1 18 18 LEU HB2 H 1 1.516 0.030 . 2 . . . . 18 LEU HB2 . 11201 1 170 . 1 1 18 18 LEU HB3 H 1 1.295 0.030 . 2 . . . . 18 LEU HB3 . 11201 1 171 . 1 1 18 18 LEU HD11 H 1 0.755 0.030 . 1 . . . . 18 LEU HD1 . 11201 1 172 . 1 1 18 18 LEU HD12 H 1 0.755 0.030 . 1 . . . . 18 LEU HD1 . 11201 1 173 . 1 1 18 18 LEU HD13 H 1 0.755 0.030 . 1 . . . . 18 LEU HD1 . 11201 1 174 . 1 1 18 18 LEU HD21 H 1 0.697 0.030 . 1 . . . . 18 LEU HD2 . 11201 1 175 . 1 1 18 18 LEU HD22 H 1 0.697 0.030 . 1 . . . . 18 LEU HD2 . 11201 1 176 . 1 1 18 18 LEU HD23 H 1 0.697 0.030 . 1 . . . . 18 LEU HD2 . 11201 1 177 . 1 1 18 18 LEU HG H 1 1.513 0.030 . 1 . . . . 18 LEU HG . 11201 1 178 . 1 1 18 18 LEU C C 13 174.105 0.300 . 1 . . . . 18 LEU C . 11201 1 179 . 1 1 18 18 LEU CA C 13 52.106 0.300 . 1 . . . . 18 LEU CA . 11201 1 180 . 1 1 18 18 LEU CB C 13 41.389 0.300 . 1 . . . . 18 LEU CB . 11201 1 181 . 1 1 18 18 LEU CD1 C 13 22.941 0.300 . 2 . . . . 18 LEU CD1 . 11201 1 182 . 1 1 18 18 LEU CD2 C 13 21.014 0.300 . 2 . . . . 18 LEU CD2 . 11201 1 183 . 1 1 18 18 LEU CG C 13 24.489 0.300 . 1 . . . . 18 LEU CG . 11201 1 184 . 1 1 18 18 LEU N N 15 122.081 0.300 . 1 . . . . 18 LEU N . 11201 1 185 . 1 1 19 19 GLU H H 1 8.745 0.030 . 1 . . . . 19 GLU H . 11201 1 186 . 1 1 19 19 GLU HA H 1 4.345 0.030 . 1 . . . . 19 GLU HA . 11201 1 187 . 1 1 19 19 GLU HB2 H 1 1.970 0.030 . 2 . . . . 19 GLU HB2 . 11201 1 188 . 1 1 19 19 GLU HB3 H 1 1.860 0.030 . 2 . . . . 19 GLU HB3 . 11201 1 189 . 1 1 19 19 GLU HG2 H 1 2.201 0.030 . 2 . . . . 19 GLU HG2 . 11201 1 190 . 1 1 19 19 GLU HG3 H 1 2.079 0.030 . 2 . . . . 19 GLU HG3 . 11201 1 191 . 1 1 19 19 GLU C C 13 172.674 0.300 . 1 . . . . 19 GLU C . 11201 1 192 . 1 1 19 19 GLU CA C 13 53.468 0.300 . 1 . . . . 19 GLU CA . 11201 1 193 . 1 1 19 19 GLU CB C 13 28.069 0.300 . 1 . . . . 19 GLU CB . 11201 1 194 . 1 1 19 19 GLU CG C 13 33.540 0.300 . 1 . . . . 19 GLU CG . 11201 1 195 . 1 1 19 19 GLU N N 15 123.005 0.300 . 1 . . . . 19 GLU N . 11201 1 196 . 1 1 20 20 LEU H H 1 8.087 0.030 . 1 . . . . 20 LEU H . 11201 1 197 . 1 1 20 20 LEU HA H 1 5.198 0.030 . 1 . . . . 20 LEU HA . 11201 1 198 . 1 1 20 20 LEU HB2 H 1 1.585 0.030 . 2 . . . . 20 LEU HB2 . 11201 1 199 . 1 1 20 20 LEU HB3 H 1 1.246 0.030 . 2 . . . . 20 LEU HB3 . 11201 1 200 . 1 1 20 20 LEU HD11 H 1 0.770 0.030 . 1 . . . . 20 LEU HD1 . 11201 1 201 . 1 1 20 20 LEU HD12 H 1 0.770 0.030 . 1 . . . . 20 LEU HD1 . 11201 1 202 . 1 1 20 20 LEU HD13 H 1 0.770 0.030 . 1 . . . . 20 LEU HD1 . 11201 1 203 . 1 1 20 20 LEU HD21 H 1 0.697 0.030 . 1 . . . . 20 LEU HD2 . 11201 1 204 . 1 1 20 20 LEU HD22 H 1 0.697 0.030 . 1 . . . . 20 LEU HD2 . 11201 1 205 . 1 1 20 20 LEU HD23 H 1 0.697 0.030 . 1 . . . . 20 LEU HD2 . 11201 1 206 . 1 1 20 20 LEU HG H 1 1.523 0.030 . 1 . . . . 20 LEU HG . 11201 1 207 . 1 1 20 20 LEU C C 13 174.928 0.300 . 1 . . . . 20 LEU C . 11201 1 208 . 1 1 20 20 LEU CA C 13 51.380 0.300 . 1 . . . . 20 LEU CA . 11201 1 209 . 1 1 20 20 LEU CB C 13 41.984 0.300 . 1 . . . . 20 LEU CB . 11201 1 210 . 1 1 20 20 LEU CD1 C 13 23.156 0.300 . 2 . . . . 20 LEU CD1 . 11201 1 211 . 1 1 20 20 LEU CD2 C 13 21.950 0.300 . 2 . . . . 20 LEU CD2 . 11201 1 212 . 1 1 20 20 LEU CG C 13 24.989 0.300 . 1 . . . . 20 LEU CG . 11201 1 213 . 1 1 20 20 LEU N N 15 124.138 0.300 . 1 . . . . 20 LEU N . 11201 1 214 . 1 1 21 21 GLU H H 1 8.895 0.030 . 1 . . . . 21 GLU H . 11201 1 215 . 1 1 21 21 GLU HA H 1 4.460 0.030 . 1 . . . . 21 GLU HA . 11201 1 216 . 1 1 21 21 GLU HB2 H 1 1.735 0.030 . 2 . . . . 21 GLU HB2 . 11201 1 217 . 1 1 21 21 GLU HB3 H 1 1.695 0.030 . 2 . . . . 21 GLU HB3 . 11201 1 218 . 1 1 21 21 GLU HG2 H 1 2.102 0.030 . 2 . . . . 21 GLU HG2 . 11201 1 219 . 1 1 21 21 GLU HG3 H 1 1.976 0.030 . 2 . . . . 21 GLU HG3 . 11201 1 220 . 1 1 21 21 GLU C C 13 171.541 0.300 . 1 . . . . 21 GLU C . 11201 1 221 . 1 1 21 21 GLU CA C 13 52.924 0.300 . 1 . . . . 21 GLU CA . 11201 1 222 . 1 1 21 21 GLU CB C 13 30.659 0.300 . 1 . . . . 21 GLU CB . 11201 1 223 . 1 1 21 21 GLU CG C 13 33.123 0.300 . 1 . . . . 21 GLU CG . 11201 1 224 . 1 1 21 21 GLU N N 15 121.843 0.300 . 1 . . . . 21 GLU N . 11201 1 225 . 1 1 22 22 GLU H H 1 8.618 0.030 . 1 . . . . 22 GLU H . 11201 1 226 . 1 1 22 22 GLU HA H 1 4.976 0.030 . 1 . . . . 22 GLU HA . 11201 1 227 . 1 1 22 22 GLU HB2 H 1 1.902 0.030 . 2 . . . . 22 GLU HB2 . 11201 1 228 . 1 1 22 22 GLU HB3 H 1 1.766 0.030 . 2 . . . . 22 GLU HB3 . 11201 1 229 . 1 1 22 22 GLU HG2 H 1 1.992 0.030 . 1 . . . . 22 GLU HG2 . 11201 1 230 . 1 1 22 22 GLU HG3 H 1 1.992 0.030 . 1 . . . . 22 GLU HG3 . 11201 1 231 . 1 1 22 22 GLU C C 13 173.416 0.300 . 1 . . . . 22 GLU C . 11201 1 232 . 1 1 22 22 GLU CA C 13 52.802 0.300 . 1 . . . . 22 GLU CA . 11201 1 233 . 1 1 22 22 GLU CB C 13 28.066 0.300 . 1 . . . . 22 GLU CB . 11201 1 234 . 1 1 22 22 GLU CG C 13 33.631 0.300 . 1 . . . . 22 GLU CG . 11201 1 235 . 1 1 22 22 GLU N N 15 125.440 0.300 . 1 . . . . 22 GLU N . 11201 1 236 . 1 1 23 23 VAL H H 1 9.208 0.030 . 1 . . . . 23 VAL H . 11201 1 237 . 1 1 23 23 VAL HA H 1 3.929 0.030 . 1 . . . . 23 VAL HA . 11201 1 238 . 1 1 23 23 VAL HB H 1 1.792 0.030 . 1 . . . . 23 VAL HB . 11201 1 239 . 1 1 23 23 VAL HG11 H 1 0.757 0.030 . 1 . . . . 23 VAL HG1 . 11201 1 240 . 1 1 23 23 VAL HG12 H 1 0.757 0.030 . 1 . . . . 23 VAL HG1 . 11201 1 241 . 1 1 23 23 VAL HG13 H 1 0.757 0.030 . 1 . . . . 23 VAL HG1 . 11201 1 242 . 1 1 23 23 VAL HG21 H 1 0.653 0.030 . 1 . . . . 23 VAL HG2 . 11201 1 243 . 1 1 23 23 VAL HG22 H 1 0.653 0.030 . 1 . . . . 23 VAL HG2 . 11201 1 244 . 1 1 23 23 VAL HG23 H 1 0.653 0.030 . 1 . . . . 23 VAL HG2 . 11201 1 245 . 1 1 23 23 VAL C C 13 170.898 0.300 . 1 . . . . 23 VAL C . 11201 1 246 . 1 1 23 23 VAL CA C 13 60.115 0.300 . 1 . . . . 23 VAL CA . 11201 1 247 . 1 1 23 23 VAL CB C 13 32.355 0.300 . 1 . . . . 23 VAL CB . 11201 1 248 . 1 1 23 23 VAL CG1 C 13 18.322 0.300 . 2 . . . . 23 VAL CG1 . 11201 1 249 . 1 1 23 23 VAL CG2 C 13 18.838 0.300 . 2 . . . . 23 VAL CG2 . 11201 1 250 . 1 1 23 23 VAL N N 15 127.903 0.300 . 1 . . . . 23 VAL N . 11201 1 251 . 1 1 24 24 ASP H H 1 8.117 0.030 . 1 . . . . 24 ASP H . 11201 1 252 . 1 1 24 24 ASP HA H 1 5.440 0.030 . 1 . . . . 24 ASP HA . 11201 1 253 . 1 1 24 24 ASP HB2 H 1 2.525 0.030 . 1 . . . . 24 ASP HB2 . 11201 1 254 . 1 1 24 24 ASP HB3 H 1 2.525 0.030 . 1 . . . . 24 ASP HB3 . 11201 1 255 . 1 1 24 24 ASP C C 13 171.933 0.300 . 1 . . . . 24 ASP C . 11201 1 256 . 1 1 24 24 ASP CA C 13 50.350 0.300 . 1 . . . . 24 ASP CA . 11201 1 257 . 1 1 24 24 ASP CB C 13 38.545 0.300 . 1 . . . . 24 ASP CB . 11201 1 258 . 1 1 24 24 ASP N N 15 125.734 0.300 . 1 . . . . 24 ASP N . 11201 1 259 . 1 1 25 25 LEU H H 1 8.712 0.030 . 1 . . . . 25 LEU H . 11201 1 260 . 1 1 25 25 LEU HA H 1 4.624 0.030 . 1 . . . . 25 LEU HA . 11201 1 261 . 1 1 25 25 LEU HB2 H 1 1.575 0.030 . 2 . . . . 25 LEU HB2 . 11201 1 262 . 1 1 25 25 LEU HB3 H 1 1.157 0.030 . 2 . . . . 25 LEU HB3 . 11201 1 263 . 1 1 25 25 LEU HD11 H 1 0.605 0.030 . 1 . . . . 25 LEU HD1 . 11201 1 264 . 1 1 25 25 LEU HD12 H 1 0.605 0.030 . 1 . . . . 25 LEU HD1 . 11201 1 265 . 1 1 25 25 LEU HD13 H 1 0.605 0.030 . 1 . . . . 25 LEU HD1 . 11201 1 266 . 1 1 25 25 LEU HD21 H 1 0.765 0.030 . 1 . . . . 25 LEU HD2 . 11201 1 267 . 1 1 25 25 LEU HD22 H 1 0.765 0.030 . 1 . . . . 25 LEU HD2 . 11201 1 268 . 1 1 25 25 LEU HD23 H 1 0.765 0.030 . 1 . . . . 25 LEU HD2 . 11201 1 269 . 1 1 25 25 LEU HG H 1 1.448 0.030 . 1 . . . . 25 LEU HG . 11201 1 270 . 1 1 25 25 LEU C C 13 172.863 0.300 . 1 . . . . 25 LEU C . 11201 1 271 . 1 1 25 25 LEU CA C 13 50.607 0.300 . 1 . . . . 25 LEU CA . 11201 1 272 . 1 1 25 25 LEU CB C 13 43.096 0.300 . 1 . . . . 25 LEU CB . 11201 1 273 . 1 1 25 25 LEU CD1 C 13 24.183 0.300 . 2 . . . . 25 LEU CD1 . 11201 1 274 . 1 1 25 25 LEU CD2 C 13 20.976 0.300 . 2 . . . . 25 LEU CD2 . 11201 1 275 . 1 1 25 25 LEU CG C 13 24.286 0.300 . 1 . . . . 25 LEU CG . 11201 1 276 . 1 1 25 25 LEU N N 15 121.454 0.300 . 1 . . . . 25 LEU N . 11201 1 277 . 1 1 26 26 TYR H H 1 8.558 0.030 . 1 . . . . 26 TYR H . 11201 1 278 . 1 1 26 26 TYR HA H 1 5.249 0.030 . 1 . . . . 26 TYR HA . 11201 1 279 . 1 1 26 26 TYR HB2 H 1 2.875 0.030 . 2 . . . . 26 TYR HB2 . 11201 1 280 . 1 1 26 26 TYR HB3 H 1 2.759 0.030 . 2 . . . . 26 TYR HB3 . 11201 1 281 . 1 1 26 26 TYR HD1 H 1 7.011 0.030 . 1 . . . . 26 TYR HD1 . 11201 1 282 . 1 1 26 26 TYR HD2 H 1 7.011 0.030 . 1 . . . . 26 TYR HD2 . 11201 1 283 . 1 1 26 26 TYR HE1 H 1 6.655 0.030 . 1 . . . . 26 TYR HE1 . 11201 1 284 . 1 1 26 26 TYR HE2 H 1 6.655 0.030 . 1 . . . . 26 TYR HE2 . 11201 1 285 . 1 1 26 26 TYR C C 13 172.180 0.300 . 1 . . . . 26 TYR C . 11201 1 286 . 1 1 26 26 TYR CA C 13 54.135 0.300 . 1 . . . . 26 TYR CA . 11201 1 287 . 1 1 26 26 TYR CB C 13 38.806 0.300 . 1 . . . . 26 TYR CB . 11201 1 288 . 1 1 26 26 TYR CD1 C 13 131.196 0.300 . 1 . . . . 26 TYR CD1 . 11201 1 289 . 1 1 26 26 TYR CD2 C 13 131.196 0.300 . 1 . . . . 26 TYR CD2 . 11201 1 290 . 1 1 26 26 TYR CE1 C 13 115.589 0.300 . 1 . . . . 26 TYR CE1 . 11201 1 291 . 1 1 26 26 TYR CE2 C 13 115.589 0.300 . 1 . . . . 26 TYR CE2 . 11201 1 292 . 1 1 26 26 TYR N N 15 121.172 0.300 . 1 . . . . 26 TYR N . 11201 1 293 . 1 1 27 27 ARG H H 1 8.793 0.030 . 1 . . . . 27 ARG H . 11201 1 294 . 1 1 27 27 ARG HA H 1 4.470 0.030 . 1 . . . . 27 ARG HA . 11201 1 295 . 1 1 27 27 ARG HB2 H 1 1.951 0.030 . 2 . . . . 27 ARG HB2 . 11201 1 296 . 1 1 27 27 ARG HB3 H 1 1.598 0.030 . 2 . . . . 27 ARG HB3 . 11201 1 297 . 1 1 27 27 ARG HD2 H 1 3.322 0.030 . 2 . . . . 27 ARG HD2 . 11201 1 298 . 1 1 27 27 ARG HD3 H 1 3.162 0.030 . 2 . . . . 27 ARG HD3 . 11201 1 299 . 1 1 27 27 ARG HE H 1 7.018 0.030 . 1 . . . . 27 ARG HE . 11201 1 300 . 1 1 27 27 ARG HG2 H 1 1.429 0.030 . 2 . . . . 27 ARG HG2 . 11201 1 301 . 1 1 27 27 ARG HG3 H 1 1.612 0.030 . 2 . . . . 27 ARG HG3 . 11201 1 302 . 1 1 27 27 ARG C C 13 172.464 0.300 . 1 . . . . 27 ARG C . 11201 1 303 . 1 1 27 27 ARG CA C 13 52.530 0.300 . 1 . . . . 27 ARG CA . 11201 1 304 . 1 1 27 27 ARG CB C 13 29.476 0.300 . 1 . . . . 27 ARG CB . 11201 1 305 . 1 1 27 27 ARG CD C 13 41.957 0.300 . 1 . . . . 27 ARG CD . 11201 1 306 . 1 1 27 27 ARG CG C 13 25.287 0.300 . 1 . . . . 27 ARG CG . 11201 1 307 . 1 1 27 27 ARG N N 15 123.867 0.300 . 1 . . . . 27 ARG N . 11201 1 308 . 1 1 27 27 ARG NE N 15 83.072 0.300 . 1 . . . . 27 ARG NE . 11201 1 309 . 1 1 28 28 MET H H 1 8.635 0.030 . 1 . . . . 28 MET H . 11201 1 310 . 1 1 28 28 MET HA H 1 4.253 0.030 . 1 . . . . 28 MET HA . 11201 1 311 . 1 1 28 28 MET HB2 H 1 2.026 0.030 . 1 . . . . 28 MET HB2 . 11201 1 312 . 1 1 28 28 MET HB3 H 1 2.026 0.030 . 1 . . . . 28 MET HB3 . 11201 1 313 . 1 1 28 28 MET HE1 H 1 2.049 0.030 . 1 . . . . 28 MET HE . 11201 1 314 . 1 1 28 28 MET HE2 H 1 2.049 0.030 . 1 . . . . 28 MET HE . 11201 1 315 . 1 1 28 28 MET HE3 H 1 2.049 0.030 . 1 . . . . 28 MET HE . 11201 1 316 . 1 1 28 28 MET HG2 H 1 2.599 0.030 . 2 . . . . 28 MET HG2 . 11201 1 317 . 1 1 28 28 MET HG3 H 1 2.485 0.030 . 2 . . . . 28 MET HG3 . 11201 1 318 . 1 1 28 28 MET C C 13 173.746 0.300 . 1 . . . . 28 MET C . 11201 1 319 . 1 1 28 28 MET CA C 13 54.498 0.300 . 1 . . . . 28 MET CA . 11201 1 320 . 1 1 28 28 MET CB C 13 30.785 0.300 . 1 . . . . 28 MET CB . 11201 1 321 . 1 1 28 28 MET CE C 13 14.638 0.300 . 1 . . . . 28 MET CE . 11201 1 322 . 1 1 28 28 MET CG C 13 29.923 0.300 . 1 . . . . 28 MET CG . 11201 1 323 . 1 1 28 28 MET N N 15 122.825 0.300 . 1 . . . . 28 MET N . 11201 1 324 . 1 1 29 29 ASN H H 1 8.031 0.030 . 1 . . . . 29 ASN H . 11201 1 325 . 1 1 29 29 ASN HA H 1 4.832 0.030 . 1 . . . . 29 ASN HA . 11201 1 326 . 1 1 29 29 ASN HB2 H 1 2.873 0.030 . 2 . . . . 29 ASN HB2 . 11201 1 327 . 1 1 29 29 ASN HB3 H 1 2.694 0.030 . 2 . . . . 29 ASN HB3 . 11201 1 328 . 1 1 29 29 ASN HD21 H 1 7.734 0.030 . 2 . . . . 29 ASN HD21 . 11201 1 329 . 1 1 29 29 ASN HD22 H 1 6.865 0.030 . 2 . . . . 29 ASN HD22 . 11201 1 330 . 1 1 29 29 ASN C C 13 173.549 0.300 . 1 . . . . 29 ASN C . 11201 1 331 . 1 1 29 29 ASN CA C 13 49.532 0.300 . 1 . . . . 29 ASN CA . 11201 1 332 . 1 1 29 29 ASN CB C 13 38.120 0.300 . 1 . . . . 29 ASN CB . 11201 1 333 . 1 1 29 29 ASN N N 15 115.670 0.300 . 1 . . . . 29 ASN N . 11201 1 334 . 1 1 29 29 ASN ND2 N 15 114.519 0.300 . 1 . . . . 29 ASN ND2 . 11201 1 335 . 1 1 30 30 SER H H 1 8.793 0.030 . 1 . . . . 30 SER H . 11201 1 336 . 1 1 30 30 SER HA H 1 4.054 0.030 . 1 . . . . 30 SER HA . 11201 1 337 . 1 1 30 30 SER HB2 H 1 3.903 0.030 . 2 . . . . 30 SER HB2 . 11201 1 338 . 1 1 30 30 SER HB3 H 1 3.842 0.030 . 2 . . . . 30 SER HB3 . 11201 1 339 . 1 1 30 30 SER C C 13 172.420 0.300 . 1 . . . . 30 SER C . 11201 1 340 . 1 1 30 30 SER CA C 13 58.779 0.300 . 1 . . . . 30 SER CA . 11201 1 341 . 1 1 30 30 SER CB C 13 60.728 0.300 . 1 . . . . 30 SER CB . 11201 1 342 . 1 1 30 30 SER N N 15 117.416 0.300 . 1 . . . . 30 SER N . 11201 1 343 . 1 1 31 31 GLN H H 1 8.324 0.030 . 1 . . . . 31 GLN H . 11201 1 344 . 1 1 31 31 GLN HA H 1 4.191 0.030 . 1 . . . . 31 GLN HA . 11201 1 345 . 1 1 31 31 GLN HB2 H 1 2.099 0.030 . 2 . . . . 31 GLN HB2 . 11201 1 346 . 1 1 31 31 GLN HB3 H 1 1.937 0.030 . 2 . . . . 31 GLN HB3 . 11201 1 347 . 1 1 31 31 GLN HE21 H 1 7.483 0.030 . 2 . . . . 31 GLN HE21 . 11201 1 348 . 1 1 31 31 GLN HE22 H 1 6.762 0.030 . 2 . . . . 31 GLN HE22 . 11201 1 349 . 1 1 31 31 GLN HG2 H 1 2.299 0.030 . 1 . . . . 31 GLN HG2 . 11201 1 350 . 1 1 31 31 GLN HG3 H 1 2.299 0.030 . 1 . . . . 31 GLN HG3 . 11201 1 351 . 1 1 31 31 GLN C C 13 174.274 0.300 . 1 . . . . 31 GLN C . 11201 1 352 . 1 1 31 31 GLN CA C 13 54.120 0.300 . 1 . . . . 31 GLN CA . 11201 1 353 . 1 1 31 31 GLN CB C 13 26.306 0.300 . 1 . . . . 31 GLN CB . 11201 1 354 . 1 1 31 31 GLN CG C 13 31.817 0.300 . 1 . . . . 31 GLN CG . 11201 1 355 . 1 1 31 31 GLN N N 15 117.334 0.300 . 1 . . . . 31 GLN N . 11201 1 356 . 1 1 31 31 GLN NE2 N 15 112.097 0.300 . 1 . . . . 31 GLN NE2 . 11201 1 357 . 1 1 32 32 ASP H H 1 7.641 0.030 . 1 . . . . 32 ASP H . 11201 1 358 . 1 1 32 32 ASP HA H 1 4.527 0.030 . 1 . . . . 32 ASP HA . 11201 1 359 . 1 1 32 32 ASP HB2 H 1 2.748 0.030 . 2 . . . . 32 ASP HB2 . 11201 1 360 . 1 1 32 32 ASP HB3 H 1 2.487 0.030 . 2 . . . . 32 ASP HB3 . 11201 1 361 . 1 1 32 32 ASP C C 13 173.353 0.300 . 1 . . . . 32 ASP C . 11201 1 362 . 1 1 32 32 ASP CA C 13 52.469 0.300 . 1 . . . . 32 ASP CA . 11201 1 363 . 1 1 32 32 ASP CB C 13 39.236 0.300 . 1 . . . . 32 ASP CB . 11201 1 364 . 1 1 32 32 ASP N N 15 120.966 0.300 . 1 . . . . 32 ASP N . 11201 1 365 . 1 1 33 33 LYS H H 1 8.663 0.030 . 1 . . . . 33 LYS H . 11201 1 366 . 1 1 33 33 LYS HA H 1 4.403 0.030 . 1 . . . . 33 LYS HA . 11201 1 367 . 1 1 33 33 LYS HB2 H 1 1.779 0.030 . 2 . . . . 33 LYS HB2 . 11201 1 368 . 1 1 33 33 LYS HB3 H 1 1.666 0.030 . 2 . . . . 33 LYS HB3 . 11201 1 369 . 1 1 33 33 LYS HD2 H 1 1.602 0.030 . 1 . . . . 33 LYS HD2 . 11201 1 370 . 1 1 33 33 LYS HD3 H 1 1.602 0.030 . 1 . . . . 33 LYS HD3 . 11201 1 371 . 1 1 33 33 LYS HE2 H 1 2.935 0.030 . 2 . . . . 33 LYS HE2 . 11201 1 372 . 1 1 33 33 LYS HE3 H 1 2.880 0.030 . 2 . . . . 33 LYS HE3 . 11201 1 373 . 1 1 33 33 LYS HG2 H 1 1.418 0.030 . 1 . . . . 33 LYS HG2 . 11201 1 374 . 1 1 33 33 LYS HG3 H 1 1.418 0.030 . 1 . . . . 33 LYS HG3 . 11201 1 375 . 1 1 33 33 LYS C C 13 174.464 0.300 . 1 . . . . 33 LYS C . 11201 1 376 . 1 1 33 33 LYS CA C 13 52.334 0.300 . 1 . . . . 33 LYS CA . 11201 1 377 . 1 1 33 33 LYS CB C 13 31.372 0.300 . 1 . . . . 33 LYS CB . 11201 1 378 . 1 1 33 33 LYS CD C 13 26.593 0.300 . 1 . . . . 33 LYS CD . 11201 1 379 . 1 1 33 33 LYS CE C 13 39.971 0.300 . 1 . . . . 33 LYS CE . 11201 1 380 . 1 1 33 33 LYS CG C 13 22.312 0.300 . 1 . . . . 33 LYS CG . 11201 1 381 . 1 1 33 33 LYS N N 15 121.291 0.300 . 1 . . . . 33 LYS N . 11201 1 382 . 1 1 34 34 LEU H H 1 8.921 0.030 . 1 . . . . 34 LEU H . 11201 1 383 . 1 1 34 34 LEU HA H 1 3.922 0.030 . 1 . . . . 34 LEU HA . 11201 1 384 . 1 1 34 34 LEU HB2 H 1 1.415 0.030 . 2 . . . . 34 LEU HB2 . 11201 1 385 . 1 1 34 34 LEU HB3 H 1 1.362 0.030 . 2 . . . . 34 LEU HB3 . 11201 1 386 . 1 1 34 34 LEU HD11 H 1 0.249 0.030 . 1 . . . . 34 LEU HD1 . 11201 1 387 . 1 1 34 34 LEU HD12 H 1 0.249 0.030 . 1 . . . . 34 LEU HD1 . 11201 1 388 . 1 1 34 34 LEU HD13 H 1 0.249 0.030 . 1 . . . . 34 LEU HD1 . 11201 1 389 . 1 1 34 34 LEU HD21 H 1 0.199 0.030 . 1 . . . . 34 LEU HD2 . 11201 1 390 . 1 1 34 34 LEU HD22 H 1 0.199 0.030 . 1 . . . . 34 LEU HD2 . 11201 1 391 . 1 1 34 34 LEU HD23 H 1 0.199 0.030 . 1 . . . . 34 LEU HD2 . 11201 1 392 . 1 1 34 34 LEU HG H 1 1.219 0.030 . 1 . . . . 34 LEU HG . 11201 1 393 . 1 1 34 34 LEU C C 13 175.725 0.300 . 1 . . . . 34 LEU C . 11201 1 394 . 1 1 34 34 LEU CA C 13 56.044 0.300 . 1 . . . . 34 LEU CA . 11201 1 395 . 1 1 34 34 LEU CB C 13 39.324 0.300 . 1 . . . . 34 LEU CB . 11201 1 396 . 1 1 34 34 LEU CD1 C 13 22.022 0.300 . 2 . . . . 34 LEU CD1 . 11201 1 397 . 1 1 34 34 LEU CD2 C 13 21.941 0.300 . 2 . . . . 34 LEU CD2 . 11201 1 398 . 1 1 34 34 LEU CG C 13 24.879 0.300 . 1 . . . . 34 LEU CG . 11201 1 399 . 1 1 34 34 LEU N N 15 123.569 0.300 . 1 . . . . 34 LEU N . 11201 1 400 . 1 1 35 35 GLY H H 1 8.182 0.030 . 1 . . . . 35 GLY H . 11201 1 401 . 1 1 35 35 GLY HA2 H 1 4.500 0.030 . 2 . . . . 35 GLY HA2 . 11201 1 402 . 1 1 35 35 GLY HA3 H 1 3.681 0.030 . 2 . . . . 35 GLY HA3 . 11201 1 403 . 1 1 35 35 GLY C C 13 172.219 0.300 . 1 . . . . 35 GLY C . 11201 1 404 . 1 1 35 35 GLY CA C 13 43.274 0.300 . 1 . . . . 35 GLY CA . 11201 1 405 . 1 1 35 35 GLY N N 15 133.090 0.300 . 1 . . . . 35 GLY N . 11201 1 406 . 1 1 36 36 LEU H H 1 7.425 0.030 . 1 . . . . 36 LEU H . 11201 1 407 . 1 1 36 36 LEU HA H 1 4.734 0.030 . 1 . . . . 36 LEU HA . 11201 1 408 . 1 1 36 36 LEU HB2 H 1 1.632 0.030 . 2 . . . . 36 LEU HB2 . 11201 1 409 . 1 1 36 36 LEU HB3 H 1 0.892 0.030 . 2 . . . . 36 LEU HB3 . 11201 1 410 . 1 1 36 36 LEU HD11 H 1 0.601 0.030 . 1 . . . . 36 LEU HD1 . 11201 1 411 . 1 1 36 36 LEU HD12 H 1 0.601 0.030 . 1 . . . . 36 LEU HD1 . 11201 1 412 . 1 1 36 36 LEU HD13 H 1 0.601 0.030 . 1 . . . . 36 LEU HD1 . 11201 1 413 . 1 1 36 36 LEU HD21 H 1 0.536 0.030 . 1 . . . . 36 LEU HD2 . 11201 1 414 . 1 1 36 36 LEU HD22 H 1 0.536 0.030 . 1 . . . . 36 LEU HD2 . 11201 1 415 . 1 1 36 36 LEU HD23 H 1 0.536 0.030 . 1 . . . . 36 LEU HD2 . 11201 1 416 . 1 1 36 36 LEU HG H 1 1.287 0.030 . 1 . . . . 36 LEU HG . 11201 1 417 . 1 1 36 36 LEU C C 13 173.669 0.300 . 1 . . . . 36 LEU C . 11201 1 418 . 1 1 36 36 LEU CA C 13 51.516 0.300 . 1 . . . . 36 LEU CA . 11201 1 419 . 1 1 36 36 LEU CB C 13 41.368 0.300 . 1 . . . . 36 LEU CB . 11201 1 420 . 1 1 36 36 LEU CD1 C 13 22.118 0.300 . 2 . . . . 36 LEU CD1 . 11201 1 421 . 1 1 36 36 LEU CD2 C 13 23.082 0.300 . 2 . . . . 36 LEU CD2 . 11201 1 422 . 1 1 36 36 LEU CG C 13 24.030 0.300 . 1 . . . . 36 LEU CG . 11201 1 423 . 1 1 36 36 LEU N N 15 117.518 0.300 . 1 . . . . 36 LEU N . 11201 1 424 . 1 1 37 37 THR H H 1 8.228 0.030 . 1 . . . . 37 THR H . 11201 1 425 . 1 1 37 37 THR HA H 1 4.519 0.030 . 1 . . . . 37 THR HA . 11201 1 426 . 1 1 37 37 THR HB H 1 3.935 0.030 . 1 . . . . 37 THR HB . 11201 1 427 . 1 1 37 37 THR HG21 H 1 1.107 0.030 . 1 . . . . 37 THR HG2 . 11201 1 428 . 1 1 37 37 THR HG22 H 1 1.107 0.030 . 1 . . . . 37 THR HG2 . 11201 1 429 . 1 1 37 37 THR HG23 H 1 1.107 0.030 . 1 . . . . 37 THR HG2 . 11201 1 430 . 1 1 37 37 THR C C 13 171.743 0.300 . 1 . . . . 37 THR C . 11201 1 431 . 1 1 37 37 THR CA C 13 59.736 0.300 . 1 . . . . 37 THR CA . 11201 1 432 . 1 1 37 37 THR CB C 13 67.563 0.300 . 1 . . . . 37 THR CB . 11201 1 433 . 1 1 37 37 THR CG2 C 13 19.047 0.300 . 1 . . . . 37 THR CG2 . 11201 1 434 . 1 1 37 37 THR N N 15 120.446 0.300 . 1 . . . . 37 THR N . 11201 1 435 . 1 1 38 38 VAL H H 1 8.522 0.030 . 1 . . . . 38 VAL H . 11201 1 436 . 1 1 38 38 VAL HA H 1 5.347 0.030 . 1 . . . . 38 VAL HA . 11201 1 437 . 1 1 38 38 VAL HB H 1 1.867 0.030 . 1 . . . . 38 VAL HB . 11201 1 438 . 1 1 38 38 VAL HG11 H 1 0.503 0.030 . 1 . . . . 38 VAL HG1 . 11201 1 439 . 1 1 38 38 VAL HG12 H 1 0.503 0.030 . 1 . . . . 38 VAL HG1 . 11201 1 440 . 1 1 38 38 VAL HG13 H 1 0.503 0.030 . 1 . . . . 38 VAL HG1 . 11201 1 441 . 1 1 38 38 VAL HG21 H 1 0.573 0.030 . 1 . . . . 38 VAL HG2 . 11201 1 442 . 1 1 38 38 VAL HG22 H 1 0.573 0.030 . 1 . . . . 38 VAL HG2 . 11201 1 443 . 1 1 38 38 VAL HG23 H 1 0.573 0.030 . 1 . . . . 38 VAL HG2 . 11201 1 444 . 1 1 38 38 VAL C C 13 172.833 0.300 . 1 . . . . 38 VAL C . 11201 1 445 . 1 1 38 38 VAL CA C 13 56.330 0.300 . 1 . . . . 38 VAL CA . 11201 1 446 . 1 1 38 38 VAL CB C 13 32.138 0.300 . 1 . . . . 38 VAL CB . 11201 1 447 . 1 1 38 38 VAL CG1 C 13 19.672 0.300 . 2 . . . . 38 VAL CG1 . 11201 1 448 . 1 1 38 38 VAL CG2 C 13 16.559 0.300 . 2 . . . . 38 VAL CG2 . 11201 1 449 . 1 1 38 38 VAL N N 15 118.739 0.300 . 1 . . . . 38 VAL N . 11201 1 450 . 1 1 39 39 CYS H H 1 9.253 0.030 . 1 . . . . 39 CYS H . 11201 1 451 . 1 1 39 39 CYS HA H 1 4.678 0.030 . 1 . . . . 39 CYS HA . 11201 1 452 . 1 1 39 39 CYS HB2 H 1 2.951 0.030 . 2 . . . . 39 CYS HB2 . 11201 1 453 . 1 1 39 39 CYS HB3 H 1 2.821 0.030 . 2 . . . . 39 CYS HB3 . 11201 1 454 . 1 1 39 39 CYS C C 13 170.254 0.300 . 1 . . . . 39 CYS C . 11201 1 455 . 1 1 39 39 CYS CA C 13 53.938 0.300 . 1 . . . . 39 CYS CA . 11201 1 456 . 1 1 39 39 CYS CB C 13 29.567 0.300 . 1 . . . . 39 CYS CB . 11201 1 457 . 1 1 39 39 CYS N N 15 118.121 0.300 . 1 . . . . 39 CYS N . 11201 1 458 . 1 1 40 40 TYR H H 1 8.350 0.030 . 1 . . . . 40 TYR H . 11201 1 459 . 1 1 40 40 TYR HA H 1 5.403 0.030 . 1 . . . . 40 TYR HA . 11201 1 460 . 1 1 40 40 TYR HB2 H 1 3.199 0.030 . 2 . . . . 40 TYR HB2 . 11201 1 461 . 1 1 40 40 TYR HB3 H 1 2.736 0.030 . 2 . . . . 40 TYR HB3 . 11201 1 462 . 1 1 40 40 TYR HD1 H 1 7.152 0.030 . 1 . . . . 40 TYR HD1 . 11201 1 463 . 1 1 40 40 TYR HD2 H 1 7.152 0.030 . 1 . . . . 40 TYR HD2 . 11201 1 464 . 1 1 40 40 TYR HE1 H 1 6.778 0.030 . 1 . . . . 40 TYR HE1 . 11201 1 465 . 1 1 40 40 TYR HE2 H 1 6.778 0.030 . 1 . . . . 40 TYR HE2 . 11201 1 466 . 1 1 40 40 TYR C C 13 174.181 0.300 . 1 . . . . 40 TYR C . 11201 1 467 . 1 1 40 40 TYR CA C 13 54.270 0.300 . 1 . . . . 40 TYR CA . 11201 1 468 . 1 1 40 40 TYR CB C 13 37.945 0.300 . 1 . . . . 40 TYR CB . 11201 1 469 . 1 1 40 40 TYR CD1 C 13 130.771 0.300 . 1 . . . . 40 TYR CD1 . 11201 1 470 . 1 1 40 40 TYR CD2 C 13 130.771 0.300 . 1 . . . . 40 TYR CD2 . 11201 1 471 . 1 1 40 40 TYR CE1 C 13 116.221 0.300 . 1 . . . . 40 TYR CE1 . 11201 1 472 . 1 1 40 40 TYR CE2 C 13 116.221 0.300 . 1 . . . . 40 TYR CE2 . 11201 1 473 . 1 1 40 40 TYR N N 15 119.275 0.300 . 1 . . . . 40 TYR N . 11201 1 474 . 1 1 41 41 ARG H H 1 9.249 0.030 . 1 . . . . 41 ARG H . 11201 1 475 . 1 1 41 41 ARG HA H 1 4.369 0.030 . 1 . . . . 41 ARG HA . 11201 1 476 . 1 1 41 41 ARG HB2 H 1 1.717 0.030 . 2 . . . . 41 ARG HB2 . 11201 1 477 . 1 1 41 41 ARG HB3 H 1 1.526 0.030 . 2 . . . . 41 ARG HB3 . 11201 1 478 . 1 1 41 41 ARG HD2 H 1 2.604 0.030 . 1 . . . . 41 ARG HD2 . 11201 1 479 . 1 1 41 41 ARG HD3 H 1 2.604 0.030 . 1 . . . . 41 ARG HD3 . 11201 1 480 . 1 1 41 41 ARG HE H 1 6.976 0.030 . 1 . . . . 41 ARG HE . 11201 1 481 . 1 1 41 41 ARG HG2 H 1 1.386 0.030 . 2 . . . . 41 ARG HG2 . 11201 1 482 . 1 1 41 41 ARG HG3 H 1 1.323 0.030 . 2 . . . . 41 ARG HG3 . 11201 1 483 . 1 1 41 41 ARG C C 13 173.863 0.300 . 1 . . . . 41 ARG C . 11201 1 484 . 1 1 41 41 ARG CA C 13 53.918 0.300 . 1 . . . . 41 ARG CA . 11201 1 485 . 1 1 41 41 ARG CB C 13 29.721 0.300 . 1 . . . . 41 ARG CB . 11201 1 486 . 1 1 41 41 ARG CD C 13 41.018 0.300 . 1 . . . . 41 ARG CD . 11201 1 487 . 1 1 41 41 ARG CG C 13 24.977 0.300 . 1 . . . . 41 ARG CG . 11201 1 488 . 1 1 41 41 ARG N N 15 122.633 0.300 . 1 . . . . 41 ARG N . 11201 1 489 . 1 1 41 41 ARG NE N 15 84.215 0.300 . 1 . . . . 41 ARG NE . 11201 1 490 . 1 1 42 42 THR H H 1 8.251 0.030 . 1 . . . . 42 THR H . 11201 1 491 . 1 1 42 42 THR HA H 1 4.469 0.030 . 1 . . . . 42 THR HA . 11201 1 492 . 1 1 42 42 THR HB H 1 4.200 0.030 . 1 . . . . 42 THR HB . 11201 1 493 . 1 1 42 42 THR HG21 H 1 1.104 0.030 . 1 . . . . 42 THR HG2 . 11201 1 494 . 1 1 42 42 THR HG22 H 1 1.104 0.030 . 1 . . . . 42 THR HG2 . 11201 1 495 . 1 1 42 42 THR HG23 H 1 1.104 0.030 . 1 . . . . 42 THR HG2 . 11201 1 496 . 1 1 42 42 THR C C 13 172.301 0.300 . 1 . . . . 42 THR C . 11201 1 497 . 1 1 42 42 THR CA C 13 59.206 0.300 . 1 . . . . 42 THR CA . 11201 1 498 . 1 1 42 42 THR CB C 13 67.516 0.300 . 1 . . . . 42 THR CB . 11201 1 499 . 1 1 42 42 THR CG2 C 13 19.335 0.300 . 1 . . . . 42 THR CG2 . 11201 1 500 . 1 1 42 42 THR N N 15 113.982 0.300 . 1 . . . . 42 THR N . 11201 1 501 . 1 1 43 43 ASP H H 1 8.285 0.030 . 1 . . . . 43 ASP H . 11201 1 502 . 1 1 43 43 ASP HA H 1 4.518 0.030 . 1 . . . . 43 ASP HA . 11201 1 503 . 1 1 43 43 ASP HB2 H 1 2.724 0.030 . 2 . . . . 43 ASP HB2 . 11201 1 504 . 1 1 43 43 ASP HB3 H 1 2.532 0.030 . 2 . . . . 43 ASP HB3 . 11201 1 505 . 1 1 43 43 ASP C C 13 173.835 0.300 . 1 . . . . 43 ASP C . 11201 1 506 . 1 1 43 43 ASP CA C 13 52.031 0.300 . 1 . . . . 43 ASP CA . 11201 1 507 . 1 1 43 43 ASP CB C 13 38.767 0.300 . 1 . . . . 43 ASP CB . 11201 1 508 . 1 1 43 43 ASP N N 15 120.901 0.300 . 1 . . . . 43 ASP N . 11201 1 509 . 1 1 44 44 ASP H H 1 7.888 0.030 . 1 . . . . 44 ASP H . 11201 1 510 . 1 1 44 44 ASP HA H 1 4.527 0.030 . 1 . . . . 44 ASP HA . 11201 1 511 . 1 1 44 44 ASP HB2 H 1 2.685 0.030 . 2 . . . . 44 ASP HB2 . 11201 1 512 . 1 1 44 44 ASP HB3 H 1 2.530 0.030 . 2 . . . . 44 ASP HB3 . 11201 1 513 . 1 1 44 44 ASP C C 13 174.149 0.300 . 1 . . . . 44 ASP C . 11201 1 514 . 1 1 44 44 ASP CA C 13 52.076 0.300 . 1 . . . . 44 ASP CA . 11201 1 515 . 1 1 44 44 ASP CB C 13 38.977 0.300 . 1 . . . . 44 ASP CB . 11201 1 516 . 1 1 44 44 ASP N N 15 118.092 0.300 . 1 . . . . 44 ASP N . 11201 1 517 . 1 1 45 45 GLU H H 1 8.430 0.030 . 1 . . . . 45 GLU H . 11201 1 518 . 1 1 45 45 GLU HA H 1 4.103 0.030 . 1 . . . . 45 GLU HA . 11201 1 519 . 1 1 45 45 GLU HB2 H 1 2.026 0.030 . 2 . . . . 45 GLU HB2 . 11201 1 520 . 1 1 45 45 GLU HB3 H 1 1.881 0.030 . 2 . . . . 45 GLU HB3 . 11201 1 521 . 1 1 45 45 GLU HG2 H 1 2.173 0.030 . 1 . . . . 45 GLU HG2 . 11201 1 522 . 1 1 45 45 GLU HG3 H 1 2.173 0.030 . 1 . . . . 45 GLU HG3 . 11201 1 523 . 1 1 45 45 GLU C C 13 173.870 0.300 . 1 . . . . 45 GLU C . 11201 1 524 . 1 1 45 45 GLU CA C 13 55.063 0.300 . 1 . . . . 45 GLU CA . 11201 1 525 . 1 1 45 45 GLU CB C 13 27.411 0.300 . 1 . . . . 45 GLU CB . 11201 1 526 . 1 1 45 45 GLU CG C 13 33.848 0.300 . 1 . . . . 45 GLU CG . 11201 1 527 . 1 1 45 45 GLU N N 15 120.960 0.300 . 1 . . . . 45 GLU N . 11201 1 528 . 1 1 46 46 ASP H H 1 8.152 0.030 . 1 . . . . 46 ASP H . 11201 1 529 . 1 1 46 46 ASP HA H 1 4.484 0.030 . 1 . . . . 46 ASP HA . 11201 1 530 . 1 1 46 46 ASP HB2 H 1 2.712 0.030 . 2 . . . . 46 ASP HB2 . 11201 1 531 . 1 1 46 46 ASP HB3 H 1 2.585 0.030 . 2 . . . . 46 ASP HB3 . 11201 1 532 . 1 1 46 46 ASP C C 13 173.062 0.300 . 1 . . . . 46 ASP C . 11201 1 533 . 1 1 46 46 ASP CA C 13 52.530 0.300 . 1 . . . . 46 ASP CA . 11201 1 534 . 1 1 46 46 ASP CB C 13 38.747 0.300 . 1 . . . . 46 ASP CB . 11201 1 535 . 1 1 46 46 ASP N N 15 117.125 0.300 . 1 . . . . 46 ASP N . 11201 1 536 . 1 1 47 47 ASP H H 1 7.887 0.030 . 1 . . . . 47 ASP H . 11201 1 537 . 1 1 47 47 ASP HA H 1 4.650 0.030 . 1 . . . . 47 ASP HA . 11201 1 538 . 1 1 47 47 ASP HB2 H 1 2.768 0.030 . 2 . . . . 47 ASP HB2 . 11201 1 539 . 1 1 47 47 ASP HB3 H 1 2.482 0.030 . 2 . . . . 47 ASP HB3 . 11201 1 540 . 1 1 47 47 ASP C C 13 173.765 0.300 . 1 . . . . 47 ASP C . 11201 1 541 . 1 1 47 47 ASP CA C 13 51.516 0.300 . 1 . . . . 47 ASP CA . 11201 1 542 . 1 1 47 47 ASP CB C 13 38.963 0.300 . 1 . . . . 47 ASP CB . 11201 1 543 . 1 1 47 47 ASP N N 15 120.146 0.300 . 1 . . . . 47 ASP N . 11201 1 544 . 1 1 48 48 ILE H H 1 8.140 0.030 . 1 . . . . 48 ILE H . 11201 1 545 . 1 1 48 48 ILE HA H 1 4.338 0.030 . 1 . . . . 48 ILE HA . 11201 1 546 . 1 1 48 48 ILE HB H 1 1.911 0.030 . 1 . . . . 48 ILE HB . 11201 1 547 . 1 1 48 48 ILE HD11 H 1 0.768 0.030 . 1 . . . . 48 ILE HD1 . 11201 1 548 . 1 1 48 48 ILE HD12 H 1 0.768 0.030 . 1 . . . . 48 ILE HD1 . 11201 1 549 . 1 1 48 48 ILE HD13 H 1 0.768 0.030 . 1 . . . . 48 ILE HD1 . 11201 1 550 . 1 1 48 48 ILE HG12 H 1 1.363 0.030 . 2 . . . . 48 ILE HG12 . 11201 1 551 . 1 1 48 48 ILE HG13 H 1 1.057 0.030 . 2 . . . . 48 ILE HG13 . 11201 1 552 . 1 1 48 48 ILE HG21 H 1 0.790 0.030 . 1 . . . . 48 ILE HG2 . 11201 1 553 . 1 1 48 48 ILE HG22 H 1 0.790 0.030 . 1 . . . . 48 ILE HG2 . 11201 1 554 . 1 1 48 48 ILE HG23 H 1 0.790 0.030 . 1 . . . . 48 ILE HG2 . 11201 1 555 . 1 1 48 48 ILE C C 13 173.989 0.300 . 1 . . . . 48 ILE C . 11201 1 556 . 1 1 48 48 ILE CA C 13 58.798 0.300 . 1 . . . . 48 ILE CA . 11201 1 557 . 1 1 48 48 ILE CB C 13 36.256 0.300 . 1 . . . . 48 ILE CB . 11201 1 558 . 1 1 48 48 ILE CD1 C 13 11.414 0.300 . 1 . . . . 48 ILE CD1 . 11201 1 559 . 1 1 48 48 ILE CG1 C 13 24.970 0.300 . 1 . . . . 48 ILE CG1 . 11201 1 560 . 1 1 48 48 ILE CG2 C 13 15.637 0.300 . 1 . . . . 48 ILE CG2 . 11201 1 561 . 1 1 48 48 ILE N N 15 121.700 0.300 . 1 . . . . 48 ILE N . 11201 1 562 . 1 1 49 49 GLY H H 1 8.492 0.030 . 1 . . . . 49 GLY H . 11201 1 563 . 1 1 49 49 GLY HA2 H 1 4.000 0.030 . 2 . . . . 49 GLY HA2 . 11201 1 564 . 1 1 49 49 GLY HA3 H 1 3.563 0.030 . 2 . . . . 49 GLY HA3 . 11201 1 565 . 1 1 49 49 GLY C C 13 169.186 0.300 . 1 . . . . 49 GLY C . 11201 1 566 . 1 1 49 49 GLY CA C 13 42.447 0.300 . 1 . . . . 49 GLY CA . 11201 1 567 . 1 1 49 49 GLY N N 15 99.671 0.300 . 1 . . . . 49 GLY N . 11201 1 568 . 1 1 50 50 ILE H H 1 8.320 0.030 . 1 . . . . 50 ILE H . 11201 1 569 . 1 1 50 50 ILE HA H 1 4.490 0.030 . 1 . . . . 50 ILE HA . 11201 1 570 . 1 1 50 50 ILE HB H 1 1.720 0.030 . 1 . . . . 50 ILE HB . 11201 1 571 . 1 1 50 50 ILE HD11 H 1 0.486 0.030 . 1 . . . . 50 ILE HD1 . 11201 1 572 . 1 1 50 50 ILE HD12 H 1 0.486 0.030 . 1 . . . . 50 ILE HD1 . 11201 1 573 . 1 1 50 50 ILE HD13 H 1 0.486 0.030 . 1 . . . . 50 ILE HD1 . 11201 1 574 . 1 1 50 50 ILE HG12 H 1 1.298 0.030 . 2 . . . . 50 ILE HG12 . 11201 1 575 . 1 1 50 50 ILE HG13 H 1 0.936 0.030 . 2 . . . . 50 ILE HG13 . 11201 1 576 . 1 1 50 50 ILE HG21 H 1 0.531 0.030 . 1 . . . . 50 ILE HG2 . 11201 1 577 . 1 1 50 50 ILE HG22 H 1 0.531 0.030 . 1 . . . . 50 ILE HG2 . 11201 1 578 . 1 1 50 50 ILE HG23 H 1 0.531 0.030 . 1 . . . . 50 ILE HG2 . 11201 1 579 . 1 1 50 50 ILE C C 13 171.869 0.300 . 1 . . . . 50 ILE C . 11201 1 580 . 1 1 50 50 ILE CA C 13 57.314 0.300 . 1 . . . . 50 ILE CA . 11201 1 581 . 1 1 50 50 ILE CB C 13 35.755 0.300 . 1 . . . . 50 ILE CB . 11201 1 582 . 1 1 50 50 ILE CD1 C 13 10.921 0.300 . 1 . . . . 50 ILE CD1 . 11201 1 583 . 1 1 50 50 ILE CG1 C 13 25.503 0.300 . 1 . . . . 50 ILE CG1 . 11201 1 584 . 1 1 50 50 ILE CG2 C 13 16.256 0.300 . 1 . . . . 50 ILE CG2 . 11201 1 585 . 1 1 50 50 ILE N N 15 120.498 0.300 . 1 . . . . 50 ILE N . 11201 1 586 . 1 1 51 51 TYR H H 1 8.735 0.030 . 1 . . . . 51 TYR H . 11201 1 587 . 1 1 51 51 TYR HA H 1 5.247 0.030 . 1 . . . . 51 TYR HA . 11201 1 588 . 1 1 51 51 TYR HB2 H 1 2.578 0.030 . 2 . . . . 51 TYR HB2 . 11201 1 589 . 1 1 51 51 TYR HB3 H 1 2.502 0.030 . 2 . . . . 51 TYR HB3 . 11201 1 590 . 1 1 51 51 TYR HD1 H 1 6.931 0.030 . 1 . . . . 51 TYR HD1 . 11201 1 591 . 1 1 51 51 TYR HD2 H 1 6.931 0.030 . 1 . . . . 51 TYR HD2 . 11201 1 592 . 1 1 51 51 TYR HE1 H 1 6.686 0.030 . 1 . . . . 51 TYR HE1 . 11201 1 593 . 1 1 51 51 TYR HE2 H 1 6.686 0.030 . 1 . . . . 51 TYR HE2 . 11201 1 594 . 1 1 51 51 TYR C C 13 173.346 0.300 . 1 . . . . 51 TYR C . 11201 1 595 . 1 1 51 51 TYR CA C 13 53.817 0.300 . 1 . . . . 51 TYR CA . 11201 1 596 . 1 1 51 51 TYR CB C 13 39.686 0.300 . 1 . . . . 51 TYR CB . 11201 1 597 . 1 1 51 51 TYR CD1 C 13 131.515 0.300 . 1 . . . . 51 TYR CD1 . 11201 1 598 . 1 1 51 51 TYR CD2 C 13 131.515 0.300 . 1 . . . . 51 TYR CD2 . 11201 1 599 . 1 1 51 51 TYR CE1 C 13 115.472 0.300 . 1 . . . . 51 TYR CE1 . 11201 1 600 . 1 1 51 51 TYR CE2 C 13 115.472 0.300 . 1 . . . . 51 TYR CE2 . 11201 1 601 . 1 1 51 51 TYR N N 15 123.505 0.300 . 1 . . . . 51 TYR N . 11201 1 602 . 1 1 52 52 ILE H H 1 8.847 0.030 . 1 . . . . 52 ILE H . 11201 1 603 . 1 1 52 52 ILE HA H 1 4.229 0.030 . 1 . . . . 52 ILE HA . 11201 1 604 . 1 1 52 52 ILE HB H 1 2.044 0.030 . 1 . . . . 52 ILE HB . 11201 1 605 . 1 1 52 52 ILE HD11 H 1 0.626 0.030 . 1 . . . . 52 ILE HD1 . 11201 1 606 . 1 1 52 52 ILE HD12 H 1 0.626 0.030 . 1 . . . . 52 ILE HD1 . 11201 1 607 . 1 1 52 52 ILE HD13 H 1 0.626 0.030 . 1 . . . . 52 ILE HD1 . 11201 1 608 . 1 1 52 52 ILE HG12 H 1 1.406 0.030 . 2 . . . . 52 ILE HG12 . 11201 1 609 . 1 1 52 52 ILE HG13 H 1 1.108 0.030 . 2 . . . . 52 ILE HG13 . 11201 1 610 . 1 1 52 52 ILE HG21 H 1 0.660 0.030 . 1 . . . . 52 ILE HG2 . 11201 1 611 . 1 1 52 52 ILE HG22 H 1 0.660 0.030 . 1 . . . . 52 ILE HG2 . 11201 1 612 . 1 1 52 52 ILE HG23 H 1 0.660 0.030 . 1 . . . . 52 ILE HG2 . 11201 1 613 . 1 1 52 52 ILE C C 13 174.099 0.300 . 1 . . . . 52 ILE C . 11201 1 614 . 1 1 52 52 ILE CA C 13 57.934 0.300 . 1 . . . . 52 ILE CA . 11201 1 615 . 1 1 52 52 ILE CB C 13 34.857 0.300 . 1 . . . . 52 ILE CB . 11201 1 616 . 1 1 52 52 ILE CD1 C 13 10.744 0.300 . 1 . . . . 52 ILE CD1 . 11201 1 617 . 1 1 52 52 ILE CG1 C 13 25.172 0.300 . 1 . . . . 52 ILE CG1 . 11201 1 618 . 1 1 52 52 ILE CG2 C 13 16.290 0.300 . 1 . . . . 52 ILE CG2 . 11201 1 619 . 1 1 52 52 ILE N N 15 119.755 0.300 . 1 . . . . 52 ILE N . 11201 1 620 . 1 1 53 53 SER H H 1 9.056 0.030 . 1 . . . . 53 SER H . 11201 1 621 . 1 1 53 53 SER HA H 1 4.460 0.030 . 1 . . . . 53 SER HA . 11201 1 622 . 1 1 53 53 SER HB2 H 1 3.729 0.030 . 2 . . . . 53 SER HB2 . 11201 1 623 . 1 1 53 53 SER HB3 H 1 3.575 0.030 . 2 . . . . 53 SER HB3 . 11201 1 624 . 1 1 53 53 SER C C 13 172.082 0.300 . 1 . . . . 53 SER C . 11201 1 625 . 1 1 53 53 SER CA C 13 56.072 0.300 . 1 . . . . 53 SER CA . 11201 1 626 . 1 1 53 53 SER CB C 13 61.841 0.300 . 1 . . . . 53 SER CB . 11201 1 627 . 1 1 53 53 SER N N 15 124.999 0.300 . 1 . . . . 53 SER N . 11201 1 628 . 1 1 54 54 GLU H H 1 7.257 0.030 . 1 . . . . 54 GLU H . 11201 1 629 . 1 1 54 54 GLU HA H 1 4.503 0.030 . 1 . . . . 54 GLU HA . 11201 1 630 . 1 1 54 54 GLU HB2 H 1 1.805 0.030 . 1 . . . . 54 GLU HB2 . 11201 1 631 . 1 1 54 54 GLU HB3 H 1 1.805 0.030 . 1 . . . . 54 GLU HB3 . 11201 1 632 . 1 1 54 54 GLU HG2 H 1 2.104 0.030 . 2 . . . . 54 GLU HG2 . 11201 1 633 . 1 1 54 54 GLU HG3 H 1 2.069 0.030 . 2 . . . . 54 GLU HG3 . 11201 1 634 . 1 1 54 54 GLU C C 13 171.464 0.300 . 1 . . . . 54 GLU C . 11201 1 635 . 1 1 54 54 GLU CA C 13 53.605 0.300 . 1 . . . . 54 GLU CA . 11201 1 636 . 1 1 54 54 GLU CB C 13 31.331 0.300 . 1 . . . . 54 GLU CB . 11201 1 637 . 1 1 54 54 GLU CG C 13 33.984 0.300 . 1 . . . . 54 GLU CG . 11201 1 638 . 1 1 54 54 GLU N N 15 117.862 0.300 . 1 . . . . 54 GLU N . 11201 1 639 . 1 1 55 55 ILE H H 1 8.612 0.030 . 1 . . . . 55 ILE H . 11201 1 640 . 1 1 55 55 ILE HA H 1 4.585 0.030 . 1 . . . . 55 ILE HA . 11201 1 641 . 1 1 55 55 ILE HB H 1 1.496 0.030 . 1 . . . . 55 ILE HB . 11201 1 642 . 1 1 55 55 ILE HD11 H 1 0.536 0.030 . 1 . . . . 55 ILE HD1 . 11201 1 643 . 1 1 55 55 ILE HD12 H 1 0.536 0.030 . 1 . . . . 55 ILE HD1 . 11201 1 644 . 1 1 55 55 ILE HD13 H 1 0.536 0.030 . 1 . . . . 55 ILE HD1 . 11201 1 645 . 1 1 55 55 ILE HG12 H 1 1.195 0.030 . 2 . . . . 55 ILE HG12 . 11201 1 646 . 1 1 55 55 ILE HG13 H 1 0.584 0.030 . 2 . . . . 55 ILE HG13 . 11201 1 647 . 1 1 55 55 ILE HG21 H 1 0.514 0.030 . 1 . . . . 55 ILE HG2 . 11201 1 648 . 1 1 55 55 ILE HG22 H 1 0.514 0.030 . 1 . . . . 55 ILE HG2 . 11201 1 649 . 1 1 55 55 ILE HG23 H 1 0.514 0.030 . 1 . . . . 55 ILE HG2 . 11201 1 650 . 1 1 55 55 ILE C C 13 173.748 0.300 . 1 . . . . 55 ILE C . 11201 1 651 . 1 1 55 55 ILE CA C 13 57.249 0.300 . 1 . . . . 55 ILE CA . 11201 1 652 . 1 1 55 55 ILE CB C 13 37.813 0.300 . 1 . . . . 55 ILE CB . 11201 1 653 . 1 1 55 55 ILE CD1 C 13 15.240 0.300 . 1 . . . . 55 ILE CD1 . 11201 1 654 . 1 1 55 55 ILE CG1 C 13 25.807 0.300 . 1 . . . . 55 ILE CG1 . 11201 1 655 . 1 1 55 55 ILE CG2 C 13 12.530 0.300 . 1 . . . . 55 ILE CG2 . 11201 1 656 . 1 1 55 55 ILE N N 15 122.744 0.300 . 1 . . . . 55 ILE N . 11201 1 657 . 1 1 56 56 ASP H H 1 8.811 0.030 . 1 . . . . 56 ASP H . 11201 1 658 . 1 1 56 56 ASP HA H 1 4.684 0.030 . 1 . . . . 56 ASP HA . 11201 1 659 . 1 1 56 56 ASP HB2 H 1 2.490 0.030 . 1 . . . . 56 ASP HB2 . 11201 1 660 . 1 1 56 56 ASP HB3 H 1 2.490 0.030 . 1 . . . . 56 ASP HB3 . 11201 1 661 . 1 1 56 56 ASP CA C 13 50.012 0.300 . 1 . . . . 56 ASP CA . 11201 1 662 . 1 1 56 56 ASP CB C 13 39.401 0.300 . 1 . . . . 56 ASP CB . 11201 1 663 . 1 1 56 56 ASP N N 15 129.872 0.300 . 1 . . . . 56 ASP N . 11201 1 664 . 1 1 57 57 PRO HA H 1 4.233 0.030 . 1 . . . . 57 PRO HA . 11201 1 665 . 1 1 57 57 PRO HB2 H 1 2.262 0.030 . 2 . . . . 57 PRO HB2 . 11201 1 666 . 1 1 57 57 PRO HB3 H 1 1.836 0.030 . 2 . . . . 57 PRO HB3 . 11201 1 667 . 1 1 57 57 PRO HD2 H 1 3.930 0.030 . 2 . . . . 57 PRO HD2 . 11201 1 668 . 1 1 57 57 PRO HD3 H 1 3.745 0.030 . 2 . . . . 57 PRO HD3 . 11201 1 669 . 1 1 57 57 PRO HG2 H 1 1.988 0.030 . 2 . . . . 57 PRO HG2 . 11201 1 670 . 1 1 57 57 PRO HG3 H 1 1.928 0.030 . 2 . . . . 57 PRO HG3 . 11201 1 671 . 1 1 57 57 PRO CA C 13 61.999 0.300 . 1 . . . . 57 PRO CA . 11201 1 672 . 1 1 57 57 PRO CB C 13 29.927 0.300 . 1 . . . . 57 PRO CB . 11201 1 673 . 1 1 57 57 PRO CD C 13 48.787 0.300 . 1 . . . . 57 PRO CD . 11201 1 674 . 1 1 57 57 PRO CG C 13 24.952 0.300 . 1 . . . . 57 PRO CG . 11201 1 675 . 1 1 58 58 ASN H H 1 8.692 0.030 . 1 . . . . 58 ASN H . 11201 1 676 . 1 1 58 58 ASN HA H 1 4.703 0.030 . 1 . . . . 58 ASN HA . 11201 1 677 . 1 1 58 58 ASN HB2 H 1 2.873 0.030 . 2 . . . . 58 ASN HB2 . 11201 1 678 . 1 1 58 58 ASN HB3 H 1 2.660 0.030 . 2 . . . . 58 ASN HB3 . 11201 1 679 . 1 1 58 58 ASN HD21 H 1 7.738 0.030 . 2 . . . . 58 ASN HD21 . 11201 1 680 . 1 1 58 58 ASN HD22 H 1 6.901 0.030 . 2 . . . . 58 ASN HD22 . 11201 1 681 . 1 1 58 58 ASN C C 13 171.545 0.300 . 1 . . . . 58 ASN C . 11201 1 682 . 1 1 58 58 ASN CA C 13 50.640 0.300 . 1 . . . . 58 ASN CA . 11201 1 683 . 1 1 58 58 ASN CB C 13 36.083 0.300 . 1 . . . . 58 ASN CB . 11201 1 684 . 1 1 58 58 ASN N N 15 116.420 0.300 . 1 . . . . 58 ASN N . 11201 1 685 . 1 1 58 58 ASN ND2 N 15 114.119 0.300 . 1 . . . . 58 ASN ND2 . 11201 1 686 . 1 1 59 59 SER H H 1 7.250 0.030 . 1 . . . . 59 SER H . 11201 1 687 . 1 1 59 59 SER HA H 1 4.627 0.030 . 1 . . . . 59 SER HA . 11201 1 688 . 1 1 59 59 SER HB2 H 1 3.666 0.030 . 2 . . . . 59 SER HB2 . 11201 1 689 . 1 1 59 59 SER HB3 H 1 3.936 0.030 . 2 . . . . 59 SER HB3 . 11201 1 690 . 1 1 59 59 SER C C 13 172.371 0.300 . 1 . . . . 59 SER C . 11201 1 691 . 1 1 59 59 SER CA C 13 55.561 0.300 . 1 . . . . 59 SER CA . 11201 1 692 . 1 1 59 59 SER CB C 13 64.570 0.300 . 1 . . . . 59 SER CB . 11201 1 693 . 1 1 59 59 SER N N 15 112.459 0.300 . 1 . . . . 59 SER N . 11201 1 694 . 1 1 60 60 ILE H H 1 8.529 0.030 . 1 . . . . 60 ILE H . 11201 1 695 . 1 1 60 60 ILE HA H 1 3.762 0.030 . 1 . . . . 60 ILE HA . 11201 1 696 . 1 1 60 60 ILE HB H 1 1.884 0.030 . 1 . . . . 60 ILE HB . 11201 1 697 . 1 1 60 60 ILE HD11 H 1 0.812 0.030 . 1 . . . . 60 ILE HD1 . 11201 1 698 . 1 1 60 60 ILE HD12 H 1 0.812 0.030 . 1 . . . . 60 ILE HD1 . 11201 1 699 . 1 1 60 60 ILE HD13 H 1 0.812 0.030 . 1 . . . . 60 ILE HD1 . 11201 1 700 . 1 1 60 60 ILE HG12 H 1 1.489 0.030 . 2 . . . . 60 ILE HG12 . 11201 1 701 . 1 1 60 60 ILE HG13 H 1 1.399 0.030 . 2 . . . . 60 ILE HG13 . 11201 1 702 . 1 1 60 60 ILE HG21 H 1 0.946 0.030 . 1 . . . . 60 ILE HG2 . 11201 1 703 . 1 1 60 60 ILE HG22 H 1 0.946 0.030 . 1 . . . . 60 ILE HG2 . 11201 1 704 . 1 1 60 60 ILE HG23 H 1 0.946 0.030 . 1 . . . . 60 ILE HG2 . 11201 1 705 . 1 1 60 60 ILE C C 13 177.016 0.300 . 1 . . . . 60 ILE C . 11201 1 706 . 1 1 60 60 ILE CA C 13 61.811 0.300 . 1 . . . . 60 ILE CA . 11201 1 707 . 1 1 60 60 ILE CB C 13 36.170 0.300 . 1 . . . . 60 ILE CB . 11201 1 708 . 1 1 60 60 ILE CD1 C 13 10.710 0.300 . 1 . . . . 60 ILE CD1 . 11201 1 709 . 1 1 60 60 ILE CG1 C 13 25.873 0.300 . 1 . . . . 60 ILE CG1 . 11201 1 710 . 1 1 60 60 ILE CG2 C 13 16.061 0.300 . 1 . . . . 60 ILE CG2 . 11201 1 711 . 1 1 60 60 ILE N N 15 118.316 0.300 . 1 . . . . 60 ILE N . 11201 1 712 . 1 1 61 61 ALA H H 1 8.248 0.030 . 1 . . . . 61 ALA H . 11201 1 713 . 1 1 61 61 ALA HA H 1 3.983 0.030 . 1 . . . . 61 ALA HA . 11201 1 714 . 1 1 61 61 ALA HB1 H 1 1.236 0.030 . 1 . . . . 61 ALA HB . 11201 1 715 . 1 1 61 61 ALA HB2 H 1 1.236 0.030 . 1 . . . . 61 ALA HB . 11201 1 716 . 1 1 61 61 ALA HB3 H 1 1.236 0.030 . 1 . . . . 61 ALA HB . 11201 1 717 . 1 1 61 61 ALA C C 13 178.375 0.300 . 1 . . . . 61 ALA C . 11201 1 718 . 1 1 61 61 ALA CA C 13 52.984 0.300 . 1 . . . . 61 ALA CA . 11201 1 719 . 1 1 61 61 ALA CB C 13 16.747 0.300 . 1 . . . . 61 ALA CB . 11201 1 720 . 1 1 61 61 ALA N N 15 119.032 0.300 . 1 . . . . 61 ALA N . 11201 1 721 . 1 1 62 62 ALA H H 1 7.649 0.030 . 1 . . . . 62 ALA H . 11201 1 722 . 1 1 62 62 ALA HA H 1 3.968 0.030 . 1 . . . . 62 ALA HA . 11201 1 723 . 1 1 62 62 ALA HB1 H 1 1.481 0.030 . 1 . . . . 62 ALA HB . 11201 1 724 . 1 1 62 62 ALA HB2 H 1 1.481 0.030 . 1 . . . . 62 ALA HB . 11201 1 725 . 1 1 62 62 ALA HB3 H 1 1.481 0.030 . 1 . . . . 62 ALA HB . 11201 1 726 . 1 1 62 62 ALA C C 13 177.279 0.300 . 1 . . . . 62 ALA C . 11201 1 727 . 1 1 62 62 ALA CA C 13 52.611 0.300 . 1 . . . . 62 ALA CA . 11201 1 728 . 1 1 62 62 ALA CB C 13 16.903 0.300 . 1 . . . . 62 ALA CB . 11201 1 729 . 1 1 62 62 ALA N N 15 122.353 0.300 . 1 . . . . 62 ALA N . 11201 1 730 . 1 1 63 63 LYS H H 1 7.876 0.030 . 1 . . . . 63 LYS H . 11201 1 731 . 1 1 63 63 LYS HA H 1 3.922 0.030 . 1 . . . . 63 LYS HA . 11201 1 732 . 1 1 63 63 LYS HB2 H 1 1.855 0.030 . 2 . . . . 63 LYS HB2 . 11201 1 733 . 1 1 63 63 LYS HB3 H 1 1.773 0.030 . 2 . . . . 63 LYS HB3 . 11201 1 734 . 1 1 63 63 LYS HD2 H 1 1.623 0.030 . 2 . . . . 63 LYS HD2 . 11201 1 735 . 1 1 63 63 LYS HD3 H 1 1.540 0.030 . 2 . . . . 63 LYS HD3 . 11201 1 736 . 1 1 63 63 LYS HE2 H 1 2.878 0.030 . 1 . . . . 63 LYS HE2 . 11201 1 737 . 1 1 63 63 LYS HE3 H 1 2.878 0.030 . 1 . . . . 63 LYS HE3 . 11201 1 738 . 1 1 63 63 LYS HG2 H 1 1.530 0.030 . 2 . . . . 63 LYS HG2 . 11201 1 739 . 1 1 63 63 LYS HG3 H 1 1.428 0.030 . 2 . . . . 63 LYS HG3 . 11201 1 740 . 1 1 63 63 LYS C C 13 175.890 0.300 . 1 . . . . 63 LYS C . 11201 1 741 . 1 1 63 63 LYS CA C 13 56.406 0.300 . 1 . . . . 63 LYS CA . 11201 1 742 . 1 1 63 63 LYS CB C 13 30.215 0.300 . 1 . . . . 63 LYS CB . 11201 1 743 . 1 1 63 63 LYS CD C 13 26.883 0.300 . 1 . . . . 63 LYS CD . 11201 1 744 . 1 1 63 63 LYS CE C 13 39.915 0.300 . 1 . . . . 63 LYS CE . 11201 1 745 . 1 1 63 63 LYS CG C 13 23.255 0.300 . 1 . . . . 63 LYS CG . 11201 1 746 . 1 1 63 63 LYS N N 15 117.033 0.300 . 1 . . . . 63 LYS N . 11201 1 747 . 1 1 64 64 ASP H H 1 7.500 0.030 . 1 . . . . 64 ASP H . 11201 1 748 . 1 1 64 64 ASP HA H 1 4.335 0.030 . 1 . . . . 64 ASP HA . 11201 1 749 . 1 1 64 64 ASP HB2 H 1 2.640 0.030 . 2 . . . . 64 ASP HB2 . 11201 1 750 . 1 1 64 64 ASP HB3 H 1 2.488 0.030 . 2 . . . . 64 ASP HB3 . 11201 1 751 . 1 1 64 64 ASP C C 13 175.406 0.300 . 1 . . . . 64 ASP C . 11201 1 752 . 1 1 64 64 ASP CA C 13 55.000 0.300 . 1 . . . . 64 ASP CA . 11201 1 753 . 1 1 64 64 ASP CB C 13 41.880 0.300 . 1 . . . . 64 ASP CB . 11201 1 754 . 1 1 64 64 ASP N N 15 117.761 0.300 . 1 . . . . 64 ASP N . 11201 1 755 . 1 1 65 65 GLY H H 1 7.301 0.030 . 1 . . . . 65 GLY H . 11201 1 756 . 1 1 65 65 GLY HA2 H 1 4.003 0.030 . 2 . . . . 65 GLY HA2 . 11201 1 757 . 1 1 65 65 GLY HA3 H 1 3.845 0.030 . 2 . . . . 65 GLY HA3 . 11201 1 758 . 1 1 65 65 GLY C C 13 172.708 0.300 . 1 . . . . 65 GLY C . 11201 1 759 . 1 1 65 65 GLY CA C 13 44.155 0.300 . 1 . . . . 65 GLY CA . 11201 1 760 . 1 1 65 65 GLY N N 15 102.426 0.300 . 1 . . . . 65 GLY N . 11201 1 761 . 1 1 66 66 ARG H H 1 7.973 0.030 . 1 . . . . 66 ARG H . 11201 1 762 . 1 1 66 66 ARG HA H 1 4.145 0.030 . 1 . . . . 66 ARG HA . 11201 1 763 . 1 1 66 66 ARG HB2 H 1 1.905 0.030 . 2 . . . . 66 ARG HB2 . 11201 1 764 . 1 1 66 66 ARG HB3 H 1 1.681 0.030 . 2 . . . . 66 ARG HB3 . 11201 1 765 . 1 1 66 66 ARG HD2 H 1 3.316 0.030 . 2 . . . . 66 ARG HD2 . 11201 1 766 . 1 1 66 66 ARG HD3 H 1 3.117 0.030 . 2 . . . . 66 ARG HD3 . 11201 1 767 . 1 1 66 66 ARG HE H 1 8.714 0.030 . 1 . . . . 66 ARG HE . 11201 1 768 . 1 1 66 66 ARG HG2 H 1 1.717 0.030 . 2 . . . . 66 ARG HG2 . 11201 1 769 . 1 1 66 66 ARG HG3 H 1 1.608 0.030 . 2 . . . . 66 ARG HG3 . 11201 1 770 . 1 1 66 66 ARG C C 13 174.556 0.300 . 1 . . . . 66 ARG C . 11201 1 771 . 1 1 66 66 ARG CA C 13 56.436 0.300 . 1 . . . . 66 ARG CA . 11201 1 772 . 1 1 66 66 ARG CB C 13 30.542 0.300 . 1 . . . . 66 ARG CB . 11201 1 773 . 1 1 66 66 ARG CD C 13 41.593 0.300 . 1 . . . . 66 ARG CD . 11201 1 774 . 1 1 66 66 ARG CG C 13 25.274 0.300 . 1 . . . . 66 ARG CG . 11201 1 775 . 1 1 66 66 ARG N N 15 118.995 0.300 . 1 . . . . 66 ARG N . 11201 1 776 . 1 1 66 66 ARG NE N 15 86.279 0.300 . 1 . . . . 66 ARG NE . 11201 1 777 . 1 1 67 67 ILE H H 1 8.378 0.030 . 1 . . . . 67 ILE H . 11201 1 778 . 1 1 67 67 ILE HA H 1 3.822 0.030 . 1 . . . . 67 ILE HA . 11201 1 779 . 1 1 67 67 ILE HB H 1 1.404 0.030 . 1 . . . . 67 ILE HB . 11201 1 780 . 1 1 67 67 ILE HD11 H 1 0.727 0.030 . 1 . . . . 67 ILE HD1 . 11201 1 781 . 1 1 67 67 ILE HD12 H 1 0.727 0.030 . 1 . . . . 67 ILE HD1 . 11201 1 782 . 1 1 67 67 ILE HD13 H 1 0.727 0.030 . 1 . . . . 67 ILE HD1 . 11201 1 783 . 1 1 67 67 ILE HG12 H 1 1.664 0.030 . 2 . . . . 67 ILE HG12 . 11201 1 784 . 1 1 67 67 ILE HG13 H 1 0.868 0.030 . 2 . . . . 67 ILE HG13 . 11201 1 785 . 1 1 67 67 ILE HG21 H 1 0.792 0.030 . 1 . . . . 67 ILE HG2 . 11201 1 786 . 1 1 67 67 ILE HG22 H 1 0.792 0.030 . 1 . . . . 67 ILE HG2 . 11201 1 787 . 1 1 67 67 ILE HG23 H 1 0.792 0.030 . 1 . . . . 67 ILE HG2 . 11201 1 788 . 1 1 67 67 ILE C C 13 171.707 0.300 . 1 . . . . 67 ILE C . 11201 1 789 . 1 1 67 67 ILE CA C 13 59.312 0.300 . 1 . . . . 67 ILE CA . 11201 1 790 . 1 1 67 67 ILE CB C 13 36.252 0.300 . 1 . . . . 67 ILE CB . 11201 1 791 . 1 1 67 67 ILE CD1 C 13 12.590 0.300 . 1 . . . . 67 ILE CD1 . 11201 1 792 . 1 1 67 67 ILE CG1 C 13 27.064 0.300 . 1 . . . . 67 ILE CG1 . 11201 1 793 . 1 1 67 67 ILE CG2 C 13 16.435 0.300 . 1 . . . . 67 ILE CG2 . 11201 1 794 . 1 1 67 67 ILE N N 15 119.065 0.300 . 1 . . . . 67 ILE N . 11201 1 795 . 1 1 68 68 ARG H H 1 9.019 0.030 . 1 . . . . 68 ARG H . 11201 1 796 . 1 1 68 68 ARG HA H 1 4.429 0.030 . 1 . . . . 68 ARG HA . 11201 1 797 . 1 1 68 68 ARG HB2 H 1 1.701 0.030 . 2 . . . . 68 ARG HB2 . 11201 1 798 . 1 1 68 68 ARG HB3 H 1 1.646 0.030 . 2 . . . . 68 ARG HB3 . 11201 1 799 . 1 1 68 68 ARG HD2 H 1 3.075 0.030 . 2 . . . . 68 ARG HD2 . 11201 1 800 . 1 1 68 68 ARG HD3 H 1 2.982 0.030 . 2 . . . . 68 ARG HD3 . 11201 1 801 . 1 1 68 68 ARG HE H 1 7.104 0.030 . 1 . . . . 68 ARG HE . 11201 1 802 . 1 1 68 68 ARG HG2 H 1 1.512 0.030 . 1 . . . . 68 ARG HG2 . 11201 1 803 . 1 1 68 68 ARG HG3 H 1 1.512 0.030 . 1 . . . . 68 ARG HG3 . 11201 1 804 . 1 1 68 68 ARG C C 13 173.344 0.300 . 1 . . . . 68 ARG C . 11201 1 805 . 1 1 68 68 ARG CA C 13 51.699 0.300 . 1 . . . . 68 ARG CA . 11201 1 806 . 1 1 68 68 ARG CB C 13 31.301 0.300 . 1 . . . . 68 ARG CB . 11201 1 807 . 1 1 68 68 ARG CD C 13 41.612 0.300 . 1 . . . . 68 ARG CD . 11201 1 808 . 1 1 68 68 ARG CG C 13 24.344 0.300 . 1 . . . . 68 ARG CG . 11201 1 809 . 1 1 68 68 ARG N N 15 126.383 0.300 . 1 . . . . 68 ARG N . 11201 1 810 . 1 1 68 68 ARG NE N 15 84.929 0.300 . 1 . . . . 68 ARG NE . 11201 1 811 . 1 1 69 69 GLU H H 1 8.726 0.030 . 1 . . . . 69 GLU H . 11201 1 812 . 1 1 69 69 GLU HA H 1 3.505 0.030 . 1 . . . . 69 GLU HA . 11201 1 813 . 1 1 69 69 GLU HB2 H 1 1.822 0.030 . 2 . . . . 69 GLU HB2 . 11201 1 814 . 1 1 69 69 GLU HB3 H 1 1.776 0.030 . 2 . . . . 69 GLU HB3 . 11201 1 815 . 1 1 69 69 GLU HG2 H 1 2.106 0.030 . 1 . . . . 69 GLU HG2 . 11201 1 816 . 1 1 69 69 GLU HG3 H 1 2.106 0.030 . 1 . . . . 69 GLU HG3 . 11201 1 817 . 1 1 69 69 GLU C C 13 175.627 0.300 . 1 . . . . 69 GLU C . 11201 1 818 . 1 1 69 69 GLU CA C 13 56.572 0.300 . 1 . . . . 69 GLU CA . 11201 1 819 . 1 1 69 69 GLU CB C 13 26.390 0.300 . 1 . . . . 69 GLU CB . 11201 1 820 . 1 1 69 69 GLU CG C 13 34.489 0.300 . 1 . . . . 69 GLU CG . 11201 1 821 . 1 1 69 69 GLU N N 15 120.516 0.300 . 1 . . . . 69 GLU N . 11201 1 822 . 1 1 70 70 GLY H H 1 9.155 0.030 . 1 . . . . 70 GLY H . 11201 1 823 . 1 1 70 70 GLY HA2 H 1 4.397 0.030 . 2 . . . . 70 GLY HA2 . 11201 1 824 . 1 1 70 70 GLY HA3 H 1 3.517 0.030 . 2 . . . . 70 GLY HA3 . 11201 1 825 . 1 1 70 70 GLY C C 13 171.964 0.300 . 1 . . . . 70 GLY C . 11201 1 826 . 1 1 70 70 GLY CA C 13 42.629 0.300 . 1 . . . . 70 GLY CA . 11201 1 827 . 1 1 70 70 GLY N N 15 113.652 0.300 . 1 . . . . 70 GLY N . 11201 1 828 . 1 1 71 71 ASP H H 1 7.816 0.030 . 1 . . . . 71 ASP H . 11201 1 829 . 1 1 71 71 ASP HA H 1 4.640 0.030 . 1 . . . . 71 ASP HA . 11201 1 830 . 1 1 71 71 ASP HB2 H 1 2.717 0.030 . 2 . . . . 71 ASP HB2 . 11201 1 831 . 1 1 71 71 ASP HB3 H 1 2.360 0.030 . 2 . . . . 71 ASP HB3 . 11201 1 832 . 1 1 71 71 ASP C C 13 172.582 0.300 . 1 . . . . 71 ASP C . 11201 1 833 . 1 1 71 71 ASP CA C 13 53.605 0.300 . 1 . . . . 71 ASP CA . 11201 1 834 . 1 1 71 71 ASP CB C 13 39.184 0.300 . 1 . . . . 71 ASP CB . 11201 1 835 . 1 1 71 71 ASP N N 15 121.619 0.300 . 1 . . . . 71 ASP N . 11201 1 836 . 1 1 72 72 ARG H H 1 8.638 0.030 . 1 . . . . 72 ARG H . 11201 1 837 . 1 1 72 72 ARG HA H 1 4.541 0.030 . 1 . . . . 72 ARG HA . 11201 1 838 . 1 1 72 72 ARG HB2 H 1 1.705 0.030 . 2 . . . . 72 ARG HB2 . 11201 1 839 . 1 1 72 72 ARG HB3 H 1 1.485 0.030 . 2 . . . . 72 ARG HB3 . 11201 1 840 . 1 1 72 72 ARG HD2 H 1 2.943 0.030 . 2 . . . . 72 ARG HD2 . 11201 1 841 . 1 1 72 72 ARG HD3 H 1 2.665 0.030 . 2 . . . . 72 ARG HD3 . 11201 1 842 . 1 1 72 72 ARG HE H 1 7.330 0.030 . 1 . . . . 72 ARG HE . 11201 1 843 . 1 1 72 72 ARG HG2 H 1 0.976 0.030 . 2 . . . . 72 ARG HG2 . 11201 1 844 . 1 1 72 72 ARG HG3 H 1 0.844 0.030 . 2 . . . . 72 ARG HG3 . 11201 1 845 . 1 1 72 72 ARG C C 13 173.945 0.300 . 1 . . . . 72 ARG C . 11201 1 846 . 1 1 72 72 ARG CA C 13 52.151 0.300 . 1 . . . . 72 ARG CA . 11201 1 847 . 1 1 72 72 ARG CB C 13 30.744 0.300 . 1 . . . . 72 ARG CB . 11201 1 848 . 1 1 72 72 ARG CD C 13 41.684 0.300 . 1 . . . . 72 ARG CD . 11201 1 849 . 1 1 72 72 ARG CG C 13 24.961 0.300 . 1 . . . . 72 ARG CG . 11201 1 850 . 1 1 72 72 ARG N N 15 120.829 0.300 . 1 . . . . 72 ARG N . 11201 1 851 . 1 1 72 72 ARG NE N 15 83.771 0.300 . 1 . . . . 72 ARG NE . 11201 1 852 . 1 1 73 73 ILE H H 1 8.548 0.030 . 1 . . . . 73 ILE H . 11201 1 853 . 1 1 73 73 ILE HA H 1 4.068 0.030 . 1 . . . . 73 ILE HA . 11201 1 854 . 1 1 73 73 ILE HB H 1 1.448 0.030 . 1 . . . . 73 ILE HB . 11201 1 855 . 1 1 73 73 ILE HD11 H 1 0.568 0.030 . 1 . . . . 73 ILE HD1 . 11201 1 856 . 1 1 73 73 ILE HD12 H 1 0.568 0.030 . 1 . . . . 73 ILE HD1 . 11201 1 857 . 1 1 73 73 ILE HD13 H 1 0.568 0.030 . 1 . . . . 73 ILE HD1 . 11201 1 858 . 1 1 73 73 ILE HG12 H 1 1.389 0.030 . 2 . . . . 73 ILE HG12 . 11201 1 859 . 1 1 73 73 ILE HG13 H 1 0.711 0.030 . 2 . . . . 73 ILE HG13 . 11201 1 860 . 1 1 73 73 ILE HG21 H 1 0.617 0.030 . 1 . . . . 73 ILE HG2 . 11201 1 861 . 1 1 73 73 ILE HG22 H 1 0.617 0.030 . 1 . . . . 73 ILE HG2 . 11201 1 862 . 1 1 73 73 ILE HG23 H 1 0.617 0.030 . 1 . . . . 73 ILE HG2 . 11201 1 863 . 1 1 73 73 ILE C C 13 172.061 0.300 . 1 . . . . 73 ILE C . 11201 1 864 . 1 1 73 73 ILE CA C 13 58.873 0.300 . 1 . . . . 73 ILE CA . 11201 1 865 . 1 1 73 73 ILE CB C 13 36.504 0.300 . 1 . . . . 73 ILE CB . 11201 1 866 . 1 1 73 73 ILE CD1 C 13 11.357 0.300 . 1 . . . . 73 ILE CD1 . 11201 1 867 . 1 1 73 73 ILE CG1 C 13 25.104 0.300 . 1 . . . . 73 ILE CG1 . 11201 1 868 . 1 1 73 73 ILE CG2 C 13 15.894 0.300 . 1 . . . . 73 ILE CG2 . 11201 1 869 . 1 1 73 73 ILE N N 15 123.935 0.300 . 1 . . . . 73 ILE N . 11201 1 870 . 1 1 74 74 ILE H H 1 8.973 0.030 . 1 . . . . 74 ILE H . 11201 1 871 . 1 1 74 74 ILE HA H 1 4.257 0.030 . 1 . . . . 74 ILE HA . 11201 1 872 . 1 1 74 74 ILE HB H 1 1.659 0.030 . 1 . . . . 74 ILE HB . 11201 1 873 . 1 1 74 74 ILE HD11 H 1 0.548 0.030 . 1 . . . . 74 ILE HD1 . 11201 1 874 . 1 1 74 74 ILE HD12 H 1 0.548 0.030 . 1 . . . . 74 ILE HD1 . 11201 1 875 . 1 1 74 74 ILE HD13 H 1 0.548 0.030 . 1 . . . . 74 ILE HD1 . 11201 1 876 . 1 1 74 74 ILE HG12 H 1 1.162 0.030 . 1 . . . . 74 ILE HG12 . 11201 1 877 . 1 1 74 74 ILE HG13 H 1 1.162 0.030 . 1 . . . . 74 ILE HG13 . 11201 1 878 . 1 1 74 74 ILE HG21 H 1 0.852 0.030 . 1 . . . . 74 ILE HG2 . 11201 1 879 . 1 1 74 74 ILE HG22 H 1 0.852 0.030 . 1 . . . . 74 ILE HG2 . 11201 1 880 . 1 1 74 74 ILE HG23 H 1 0.852 0.030 . 1 . . . . 74 ILE HG2 . 11201 1 881 . 1 1 74 74 ILE C C 13 174.928 0.300 . 1 . . . . 74 ILE C . 11201 1 882 . 1 1 74 74 ILE CA C 13 58.545 0.300 . 1 . . . . 74 ILE CA . 11201 1 883 . 1 1 74 74 ILE CB C 13 35.475 0.300 . 1 . . . . 74 ILE CB . 11201 1 884 . 1 1 74 74 ILE CD1 C 13 8.186 0.300 . 1 . . . . 74 ILE CD1 . 11201 1 885 . 1 1 74 74 ILE CG1 C 13 24.776 0.300 . 1 . . . . 74 ILE CG1 . 11201 1 886 . 1 1 74 74 ILE CG2 C 13 15.396 0.300 . 1 . . . . 74 ILE CG2 . 11201 1 887 . 1 1 74 74 ILE N N 15 125.674 0.300 . 1 . . . . 74 ILE N . 11201 1 888 . 1 1 75 75 GLN H H 1 7.569 0.030 . 1 . . . . 75 GLN H . 11201 1 889 . 1 1 75 75 GLN HA H 1 5.266 0.030 . 1 . . . . 75 GLN HA . 11201 1 890 . 1 1 75 75 GLN HB2 H 1 1.807 0.030 . 2 . . . . 75 GLN HB2 . 11201 1 891 . 1 1 75 75 GLN HB3 H 1 1.647 0.030 . 2 . . . . 75 GLN HB3 . 11201 1 892 . 1 1 75 75 GLN HE21 H 1 7.269 0.030 . 2 . . . . 75 GLN HE21 . 11201 1 893 . 1 1 75 75 GLN HE22 H 1 6.573 0.030 . 2 . . . . 75 GLN HE22 . 11201 1 894 . 1 1 75 75 GLN HG2 H 1 2.061 0.030 . 2 . . . . 75 GLN HG2 . 11201 1 895 . 1 1 75 75 GLN HG3 H 1 1.930 0.030 . 2 . . . . 75 GLN HG3 . 11201 1 896 . 1 1 75 75 GLN C C 13 172.695 0.300 . 1 . . . . 75 GLN C . 11201 1 897 . 1 1 75 75 GLN CA C 13 51.924 0.300 . 1 . . . . 75 GLN CA . 11201 1 898 . 1 1 75 75 GLN CB C 13 32.032 0.300 . 1 . . . . 75 GLN CB . 11201 1 899 . 1 1 75 75 GLN CG C 13 31.581 0.300 . 1 . . . . 75 GLN CG . 11201 1 900 . 1 1 75 75 GLN N N 15 114.910 0.300 . 1 . . . . 75 GLN N . 11201 1 901 . 1 1 75 75 GLN NE2 N 15 109.183 0.300 . 1 . . . . 75 GLN NE2 . 11201 1 902 . 1 1 76 76 ILE H H 1 8.299 0.030 . 1 . . . . 76 ILE H . 11201 1 903 . 1 1 76 76 ILE HA H 1 4.499 0.030 . 1 . . . . 76 ILE HA . 11201 1 904 . 1 1 76 76 ILE HB H 1 1.608 0.030 . 1 . . . . 76 ILE HB . 11201 1 905 . 1 1 76 76 ILE HD11 H 1 0.818 0.030 . 1 . . . . 76 ILE HD1 . 11201 1 906 . 1 1 76 76 ILE HD12 H 1 0.818 0.030 . 1 . . . . 76 ILE HD1 . 11201 1 907 . 1 1 76 76 ILE HD13 H 1 0.818 0.030 . 1 . . . . 76 ILE HD1 . 11201 1 908 . 1 1 76 76 ILE HG12 H 1 1.428 0.030 . 2 . . . . 76 ILE HG12 . 11201 1 909 . 1 1 76 76 ILE HG13 H 1 0.808 0.030 . 2 . . . . 76 ILE HG13 . 11201 1 910 . 1 1 76 76 ILE HG21 H 1 0.806 0.030 . 1 . . . . 76 ILE HG2 . 11201 1 911 . 1 1 76 76 ILE HG22 H 1 0.806 0.030 . 1 . . . . 76 ILE HG2 . 11201 1 912 . 1 1 76 76 ILE HG23 H 1 0.806 0.030 . 1 . . . . 76 ILE HG2 . 11201 1 913 . 1 1 76 76 ILE C C 13 172.538 0.300 . 1 . . . . 76 ILE C . 11201 1 914 . 1 1 76 76 ILE CA C 13 58.343 0.300 . 1 . . . . 76 ILE CA . 11201 1 915 . 1 1 76 76 ILE CB C 13 38.221 0.300 . 1 . . . . 76 ILE CB . 11201 1 916 . 1 1 76 76 ILE CD1 C 13 12.511 0.300 . 1 . . . . 76 ILE CD1 . 11201 1 917 . 1 1 76 76 ILE CG1 C 13 25.152 0.300 . 1 . . . . 76 ILE CG1 . 11201 1 918 . 1 1 76 76 ILE CG2 C 13 14.767 0.300 . 1 . . . . 76 ILE CG2 . 11201 1 919 . 1 1 76 76 ILE N N 15 118.860 0.300 . 1 . . . . 76 ILE N . 11201 1 920 . 1 1 77 77 ASN H H 1 9.840 0.030 . 1 . . . . 77 ASN H . 11201 1 921 . 1 1 77 77 ASN HA H 1 4.408 0.030 . 1 . . . . 77 ASN HA . 11201 1 922 . 1 1 77 77 ASN HB2 H 1 2.974 0.030 . 2 . . . . 77 ASN HB2 . 11201 1 923 . 1 1 77 77 ASN HB3 H 1 2.865 0.030 . 2 . . . . 77 ASN HB3 . 11201 1 924 . 1 1 77 77 ASN HD21 H 1 7.600 0.030 . 2 . . . . 77 ASN HD21 . 11201 1 925 . 1 1 77 77 ASN HD22 H 1 6.053 0.030 . 2 . . . . 77 ASN HD22 . 11201 1 926 . 1 1 77 77 ASN C C 13 173.276 0.300 . 1 . . . . 77 ASN C . 11201 1 927 . 1 1 77 77 ASN CA C 13 51.677 0.300 . 1 . . . . 77 ASN CA . 11201 1 928 . 1 1 77 77 ASN CB C 13 33.797 0.300 . 1 . . . . 77 ASN CB . 11201 1 929 . 1 1 77 77 ASN N N 15 126.119 0.300 . 1 . . . . 77 ASN N . 11201 1 930 . 1 1 77 77 ASN ND2 N 15 108.855 0.300 . 1 . . . . 77 ASN ND2 . 11201 1 931 . 1 1 78 78 GLY H H 1 8.912 0.030 . 1 . . . . 78 GLY H . 11201 1 932 . 1 1 78 78 GLY HA2 H 1 3.976 0.030 . 2 . . . . 78 GLY HA2 . 11201 1 933 . 1 1 78 78 GLY HA3 H 1 3.567 0.030 . 2 . . . . 78 GLY HA3 . 11201 1 934 . 1 1 78 78 GLY C C 13 171.344 0.300 . 1 . . . . 78 GLY C . 11201 1 935 . 1 1 78 78 GLY CA C 13 42.895 0.300 . 1 . . . . 78 GLY CA . 11201 1 936 . 1 1 78 78 GLY N N 15 102.642 0.300 . 1 . . . . 78 GLY N . 11201 1 937 . 1 1 79 79 ILE H H 1 7.937 0.030 . 1 . . . . 79 ILE H . 11201 1 938 . 1 1 79 79 ILE HA H 1 4.052 0.030 . 1 . . . . 79 ILE HA . 11201 1 939 . 1 1 79 79 ILE HB H 1 2.095 0.030 . 1 . . . . 79 ILE HB . 11201 1 940 . 1 1 79 79 ILE HD11 H 1 0.791 0.030 . 1 . . . . 79 ILE HD1 . 11201 1 941 . 1 1 79 79 ILE HD12 H 1 0.791 0.030 . 1 . . . . 79 ILE HD1 . 11201 1 942 . 1 1 79 79 ILE HD13 H 1 0.791 0.030 . 1 . . . . 79 ILE HD1 . 11201 1 943 . 1 1 79 79 ILE HG12 H 1 1.421 0.030 . 2 . . . . 79 ILE HG12 . 11201 1 944 . 1 1 79 79 ILE HG13 H 1 1.088 0.030 . 2 . . . . 79 ILE HG13 . 11201 1 945 . 1 1 79 79 ILE HG21 H 1 0.757 0.030 . 1 . . . . 79 ILE HG2 . 11201 1 946 . 1 1 79 79 ILE HG22 H 1 0.757 0.030 . 1 . . . . 79 ILE HG2 . 11201 1 947 . 1 1 79 79 ILE HG23 H 1 0.757 0.030 . 1 . . . . 79 ILE HG2 . 11201 1 948 . 1 1 79 79 ILE C C 13 173.946 0.300 . 1 . . . . 79 ILE C . 11201 1 949 . 1 1 79 79 ILE CA C 13 57.465 0.300 . 1 . . . . 79 ILE CA . 11201 1 950 . 1 1 79 79 ILE CB C 13 35.916 0.300 . 1 . . . . 79 ILE CB . 11201 1 951 . 1 1 79 79 ILE CD1 C 13 9.978 0.300 . 1 . . . . 79 ILE CD1 . 11201 1 952 . 1 1 79 79 ILE CG1 C 13 24.804 0.300 . 1 . . . . 79 ILE CG1 . 11201 1 953 . 1 1 79 79 ILE CG2 C 13 14.975 0.300 . 1 . . . . 79 ILE CG2 . 11201 1 954 . 1 1 79 79 ILE N N 15 121.927 0.300 . 1 . . . . 79 ILE N . 11201 1 955 . 1 1 80 80 GLU H H 1 8.749 0.030 . 1 . . . . 80 GLU H . 11201 1 956 . 1 1 80 80 GLU HA H 1 4.450 0.030 . 1 . . . . 80 GLU HA . 11201 1 957 . 1 1 80 80 GLU HB2 H 1 1.989 0.030 . 2 . . . . 80 GLU HB2 . 11201 1 958 . 1 1 80 80 GLU HB3 H 1 1.910 0.030 . 2 . . . . 80 GLU HB3 . 11201 1 959 . 1 1 80 80 GLU HG2 H 1 2.261 0.030 . 2 . . . . 80 GLU HG2 . 11201 1 960 . 1 1 80 80 GLU HG3 H 1 2.085 0.030 . 2 . . . . 80 GLU HG3 . 11201 1 961 . 1 1 80 80 GLU C C 13 173.636 0.300 . 1 . . . . 80 GLU C . 11201 1 962 . 1 1 80 80 GLU CA C 13 53.923 0.300 . 1 . . . . 80 GLU CA . 11201 1 963 . 1 1 80 80 GLU CB C 13 26.642 0.300 . 1 . . . . 80 GLU CB . 11201 1 964 . 1 1 80 80 GLU CG C 13 34.347 0.300 . 1 . . . . 80 GLU CG . 11201 1 965 . 1 1 80 80 GLU N N 15 127.898 0.300 . 1 . . . . 80 GLU N . 11201 1 966 . 1 1 81 81 VAL H H 1 7.317 0.030 . 1 . . . . 81 VAL H . 11201 1 967 . 1 1 81 81 VAL HA H 1 4.061 0.030 . 1 . . . . 81 VAL HA . 11201 1 968 . 1 1 81 81 VAL HB H 1 1.869 0.030 . 1 . . . . 81 VAL HB . 11201 1 969 . 1 1 81 81 VAL HG11 H 1 0.819 0.030 . 1 . . . . 81 VAL HG1 . 11201 1 970 . 1 1 81 81 VAL HG12 H 1 0.819 0.030 . 1 . . . . 81 VAL HG1 . 11201 1 971 . 1 1 81 81 VAL HG13 H 1 0.819 0.030 . 1 . . . . 81 VAL HG1 . 11201 1 972 . 1 1 81 81 VAL HG21 H 1 0.754 0.030 . 1 . . . . 81 VAL HG2 . 11201 1 973 . 1 1 81 81 VAL HG22 H 1 0.754 0.030 . 1 . . . . 81 VAL HG2 . 11201 1 974 . 1 1 81 81 VAL HG23 H 1 0.754 0.030 . 1 . . . . 81 VAL HG2 . 11201 1 975 . 1 1 81 81 VAL C C 13 173.643 0.300 . 1 . . . . 81 VAL C . 11201 1 976 . 1 1 81 81 VAL CA C 13 59.463 0.300 . 1 . . . . 81 VAL CA . 11201 1 977 . 1 1 81 81 VAL CB C 13 30.149 0.300 . 1 . . . . 81 VAL CB . 11201 1 978 . 1 1 81 81 VAL CG1 C 13 20.704 0.300 . 2 . . . . 81 VAL CG1 . 11201 1 979 . 1 1 81 81 VAL CG2 C 13 17.648 0.300 . 2 . . . . 81 VAL CG2 . 11201 1 980 . 1 1 81 81 VAL N N 15 121.390 0.300 . 1 . . . . 81 VAL N . 11201 1 981 . 1 1 82 82 GLN H H 1 9.265 0.030 . 1 . . . . 82 GLN H . 11201 1 982 . 1 1 82 82 GLN HA H 1 4.387 0.030 . 1 . . . . 82 GLN HA . 11201 1 983 . 1 1 82 82 GLN HB2 H 1 2.185 0.030 . 2 . . . . 82 GLN HB2 . 11201 1 984 . 1 1 82 82 GLN HB3 H 1 1.909 0.030 . 2 . . . . 82 GLN HB3 . 11201 1 985 . 1 1 82 82 GLN HE21 H 1 7.444 0.030 . 2 . . . . 82 GLN HE21 . 11201 1 986 . 1 1 82 82 GLN HE22 H 1 6.806 0.030 . 2 . . . . 82 GLN HE22 . 11201 1 987 . 1 1 82 82 GLN HG2 H 1 2.368 0.030 . 1 . . . . 82 GLN HG2 . 11201 1 988 . 1 1 82 82 GLN HG3 H 1 2.368 0.030 . 1 . . . . 82 GLN HG3 . 11201 1 989 . 1 1 82 82 GLN C C 13 173.064 0.300 . 1 . . . . 82 GLN C . 11201 1 990 . 1 1 82 82 GLN CA C 13 53.847 0.300 . 1 . . . . 82 GLN CA . 11201 1 991 . 1 1 82 82 GLN CB C 13 28.793 0.300 . 1 . . . . 82 GLN CB . 11201 1 992 . 1 1 82 82 GLN CG C 13 31.672 0.300 . 1 . . . . 82 GLN CG . 11201 1 993 . 1 1 82 82 GLN N N 15 121.581 0.300 . 1 . . . . 82 GLN N . 11201 1 994 . 1 1 82 82 GLN NE2 N 15 112.500 0.300 . 1 . . . . 82 GLN NE2 . 11201 1 995 . 1 1 83 83 ASN H H 1 7.527 0.030 . 1 . . . . 83 ASN H . 11201 1 996 . 1 1 83 83 ASN HA H 1 4.734 0.030 . 1 . . . . 83 ASN HA . 11201 1 997 . 1 1 83 83 ASN HB2 H 1 2.975 0.030 . 2 . . . . 83 ASN HB2 . 11201 1 998 . 1 1 83 83 ASN HB3 H 1 2.900 0.030 . 2 . . . . 83 ASN HB3 . 11201 1 999 . 1 1 83 83 ASN HD21 H 1 7.610 0.030 . 2 . . . . 83 ASN HD21 . 11201 1 1000 . 1 1 83 83 ASN HD22 H 1 6.864 0.030 . 2 . . . . 83 ASN HD22 . 11201 1 1001 . 1 1 83 83 ASN C C 13 172.232 0.300 . 1 . . . . 83 ASN C . 11201 1 1002 . 1 1 83 83 ASN CA C 13 50.062 0.300 . 1 . . . . 83 ASN CA . 11201 1 1003 . 1 1 83 83 ASN CB C 13 38.029 0.300 . 1 . . . . 83 ASN CB . 11201 1 1004 . 1 1 83 83 ASN N N 15 112.339 0.300 . 1 . . . . 83 ASN N . 11201 1 1005 . 1 1 83 83 ASN ND2 N 15 114.395 0.300 . 1 . . . . 83 ASN ND2 . 11201 1 1006 . 1 1 84 84 ARG H H 1 8.489 0.030 . 1 . . . . 84 ARG H . 11201 1 1007 . 1 1 84 84 ARG HA H 1 3.514 0.030 . 1 . . . . 84 ARG HA . 11201 1 1008 . 1 1 84 84 ARG HB2 H 1 1.526 0.030 . 2 . . . . 84 ARG HB2 . 11201 1 1009 . 1 1 84 84 ARG HB3 H 1 1.169 0.030 . 2 . . . . 84 ARG HB3 . 11201 1 1010 . 1 1 84 84 ARG HD2 H 1 2.951 0.030 . 2 . . . . 84 ARG HD2 . 11201 1 1011 . 1 1 84 84 ARG HD3 H 1 2.832 0.030 . 2 . . . . 84 ARG HD3 . 11201 1 1012 . 1 1 84 84 ARG HE H 1 7.048 0.030 . 1 . . . . 84 ARG HE . 11201 1 1013 . 1 1 84 84 ARG HG2 H 1 1.337 0.030 . 2 . . . . 84 ARG HG2 . 11201 1 1014 . 1 1 84 84 ARG HG3 H 1 1.126 0.030 . 2 . . . . 84 ARG HG3 . 11201 1 1015 . 1 1 84 84 ARG C C 13 174.133 0.300 . 1 . . . . 84 ARG C . 11201 1 1016 . 1 1 84 84 ARG CA C 13 57.495 0.300 . 1 . . . . 84 ARG CA . 11201 1 1017 . 1 1 84 84 ARG CB C 13 28.224 0.300 . 1 . . . . 84 ARG CB . 11201 1 1018 . 1 1 84 84 ARG CD C 13 40.874 0.300 . 1 . . . . 84 ARG CD . 11201 1 1019 . 1 1 84 84 ARG CG C 13 25.126 0.300 . 1 . . . . 84 ARG CG . 11201 1 1020 . 1 1 84 84 ARG N N 15 120.769 0.300 . 1 . . . . 84 ARG N . 11201 1 1021 . 1 1 84 84 ARG NE N 15 82.945 0.300 . 1 . . . . 84 ARG NE . 11201 1 1022 . 1 1 85 85 GLU H H 1 8.622 0.030 . 1 . . . . 85 GLU H . 11201 1 1023 . 1 1 85 85 GLU HA H 1 3.787 0.030 . 1 . . . . 85 GLU HA . 11201 1 1024 . 1 1 85 85 GLU HB2 H 1 2.101 0.030 . 2 . . . . 85 GLU HB2 . 11201 1 1025 . 1 1 85 85 GLU HB3 H 1 1.897 0.030 . 2 . . . . 85 GLU HB3 . 11201 1 1026 . 1 1 85 85 GLU HG2 H 1 2.417 0.030 . 2 . . . . 85 GLU HG2 . 11201 1 1027 . 1 1 85 85 GLU HG3 H 1 2.194 0.030 . 2 . . . . 85 GLU HG3 . 11201 1 1028 . 1 1 85 85 GLU C C 13 177.456 0.300 . 1 . . . . 85 GLU C . 11201 1 1029 . 1 1 85 85 GLU CA C 13 58.692 0.300 . 1 . . . . 85 GLU CA . 11201 1 1030 . 1 1 85 85 GLU CB C 13 25.991 0.300 . 1 . . . . 85 GLU CB . 11201 1 1031 . 1 1 85 85 GLU CG C 13 35.424 0.300 . 1 . . . . 85 GLU CG . 11201 1 1032 . 1 1 85 85 GLU N N 15 119.128 0.300 . 1 . . . . 85 GLU N . 11201 1 1033 . 1 1 86 86 GLU H H 1 8.370 0.030 . 1 . . . . 86 GLU H . 11201 1 1034 . 1 1 86 86 GLU HA H 1 4.029 0.030 . 1 . . . . 86 GLU HA . 11201 1 1035 . 1 1 86 86 GLU HB2 H 1 2.013 0.030 . 1 . . . . 86 GLU HB2 . 11201 1 1036 . 1 1 86 86 GLU HB3 H 1 2.013 0.030 . 1 . . . . 86 GLU HB3 . 11201 1 1037 . 1 1 86 86 GLU HG2 H 1 2.362 0.030 . 2 . . . . 86 GLU HG2 . 11201 1 1038 . 1 1 86 86 GLU HG3 H 1 2.141 0.030 . 2 . . . . 86 GLU HG3 . 11201 1 1039 . 1 1 86 86 GLU C C 13 176.377 0.300 . 1 . . . . 86 GLU C . 11201 1 1040 . 1 1 86 86 GLU CA C 13 56.542 0.300 . 1 . . . . 86 GLU CA . 11201 1 1041 . 1 1 86 86 GLU CB C 13 27.755 0.300 . 1 . . . . 86 GLU CB . 11201 1 1042 . 1 1 86 86 GLU CG C 13 33.776 0.300 . 1 . . . . 86 GLU CG . 11201 1 1043 . 1 1 86 86 GLU N N 15 120.574 0.300 . 1 . . . . 86 GLU N . 11201 1 1044 . 1 1 87 87 ALA H H 1 7.401 0.030 . 1 . . . . 87 ALA H . 11201 1 1045 . 1 1 87 87 ALA HA H 1 3.914 0.030 . 1 . . . . 87 ALA HA . 11201 1 1046 . 1 1 87 87 ALA HB1 H 1 1.326 0.030 . 1 . . . . 87 ALA HB . 11201 1 1047 . 1 1 87 87 ALA HB2 H 1 1.326 0.030 . 1 . . . . 87 ALA HB . 11201 1 1048 . 1 1 87 87 ALA HB3 H 1 1.326 0.030 . 1 . . . . 87 ALA HB . 11201 1 1049 . 1 1 87 87 ALA C C 13 176.147 0.300 . 1 . . . . 87 ALA C . 11201 1 1050 . 1 1 87 87 ALA CA C 13 53.091 0.300 . 1 . . . . 87 ALA CA . 11201 1 1051 . 1 1 87 87 ALA CB C 13 16.030 0.300 . 1 . . . . 87 ALA CB . 11201 1 1052 . 1 1 87 87 ALA N N 15 119.530 0.300 . 1 . . . . 87 ALA N . 11201 1 1053 . 1 1 88 88 VAL H H 1 8.454 0.030 . 1 . . . . 88 VAL H . 11201 1 1054 . 1 1 88 88 VAL HA H 1 3.403 0.030 . 1 . . . . 88 VAL HA . 11201 1 1055 . 1 1 88 88 VAL HB H 1 1.981 0.030 . 1 . . . . 88 VAL HB . 11201 1 1056 . 1 1 88 88 VAL HG11 H 1 0.958 0.030 . 1 . . . . 88 VAL HG1 . 11201 1 1057 . 1 1 88 88 VAL HG12 H 1 0.958 0.030 . 1 . . . . 88 VAL HG1 . 11201 1 1058 . 1 1 88 88 VAL HG13 H 1 0.958 0.030 . 1 . . . . 88 VAL HG1 . 11201 1 1059 . 1 1 88 88 VAL HG21 H 1 0.859 0.030 . 1 . . . . 88 VAL HG2 . 11201 1 1060 . 1 1 88 88 VAL HG22 H 1 0.859 0.030 . 1 . . . . 88 VAL HG2 . 11201 1 1061 . 1 1 88 88 VAL HG23 H 1 0.859 0.030 . 1 . . . . 88 VAL HG2 . 11201 1 1062 . 1 1 88 88 VAL C C 13 176.957 0.300 . 1 . . . . 88 VAL C . 11201 1 1063 . 1 1 88 88 VAL CA C 13 64.550 0.300 . 1 . . . . 88 VAL CA . 11201 1 1064 . 1 1 88 88 VAL CB C 13 29.659 0.300 . 1 . . . . 88 VAL CB . 11201 1 1065 . 1 1 88 88 VAL CG1 C 13 20.916 0.300 . 2 . . . . 88 VAL CG1 . 11201 1 1066 . 1 1 88 88 VAL CG2 C 13 18.975 0.300 . 2 . . . . 88 VAL CG2 . 11201 1 1067 . 1 1 88 88 VAL N N 15 116.454 0.300 . 1 . . . . 88 VAL N . 11201 1 1068 . 1 1 89 89 ALA H H 1 7.943 0.030 . 1 . . . . 89 ALA H . 11201 1 1069 . 1 1 89 89 ALA HA H 1 3.967 0.030 . 1 . . . . 89 ALA HA . 11201 1 1070 . 1 1 89 89 ALA HB1 H 1 1.448 0.030 . 1 . . . . 89 ALA HB . 11201 1 1071 . 1 1 89 89 ALA HB2 H 1 1.448 0.030 . 1 . . . . 89 ALA HB . 11201 1 1072 . 1 1 89 89 ALA HB3 H 1 1.448 0.030 . 1 . . . . 89 ALA HB . 11201 1 1073 . 1 1 89 89 ALA C C 13 178.209 0.300 . 1 . . . . 89 ALA C . 11201 1 1074 . 1 1 89 89 ALA CA C 13 53.060 0.300 . 1 . . . . 89 ALA CA . 11201 1 1075 . 1 1 89 89 ALA CB C 13 15.604 0.300 . 1 . . . . 89 ALA CB . 11201 1 1076 . 1 1 89 89 ALA N N 15 123.054 0.300 . 1 . . . . 89 ALA N . 11201 1 1077 . 1 1 90 90 LEU H H 1 7.618 0.030 . 1 . . . . 90 LEU H . 11201 1 1078 . 1 1 90 90 LEU HA H 1 4.130 0.030 . 1 . . . . 90 LEU HA . 11201 1 1079 . 1 1 90 90 LEU HB2 H 1 1.983 0.030 . 2 . . . . 90 LEU HB2 . 11201 1 1080 . 1 1 90 90 LEU HB3 H 1 1.344 0.030 . 2 . . . . 90 LEU HB3 . 11201 1 1081 . 1 1 90 90 LEU HD11 H 1 0.878 0.030 . 1 . . . . 90 LEU HD1 . 11201 1 1082 . 1 1 90 90 LEU HD12 H 1 0.878 0.030 . 1 . . . . 90 LEU HD1 . 11201 1 1083 . 1 1 90 90 LEU HD13 H 1 0.878 0.030 . 1 . . . . 90 LEU HD1 . 11201 1 1084 . 1 1 90 90 LEU HD21 H 1 0.837 0.030 . 1 . . . . 90 LEU HD2 . 11201 1 1085 . 1 1 90 90 LEU HD22 H 1 0.837 0.030 . 1 . . . . 90 LEU HD2 . 11201 1 1086 . 1 1 90 90 LEU HD23 H 1 0.837 0.030 . 1 . . . . 90 LEU HD2 . 11201 1 1087 . 1 1 90 90 LEU HG H 1 1.875 0.030 . 1 . . . . 90 LEU HG . 11201 1 1088 . 1 1 90 90 LEU C C 13 177.508 0.300 . 1 . . . . 90 LEU C . 11201 1 1089 . 1 1 90 90 LEU CA C 13 55.588 0.300 . 1 . . . . 90 LEU CA . 11201 1 1090 . 1 1 90 90 LEU CB C 13 40.892 0.300 . 1 . . . . 90 LEU CB . 11201 1 1091 . 1 1 90 90 LEU CD1 C 13 20.861 0.300 . 2 . . . . 90 LEU CD1 . 11201 1 1092 . 1 1 90 90 LEU CD2 C 13 24.040 0.300 . 2 . . . . 90 LEU CD2 . 11201 1 1093 . 1 1 90 90 LEU CG C 13 24.963 0.300 . 1 . . . . 90 LEU CG . 11201 1 1094 . 1 1 90 90 LEU N N 15 117.038 0.300 . 1 . . . . 90 LEU N . 11201 1 1095 . 1 1 91 91 LEU H H 1 8.072 0.030 . 1 . . . . 91 LEU H . 11201 1 1096 . 1 1 91 91 LEU HA H 1 4.063 0.030 . 1 . . . . 91 LEU HA . 11201 1 1097 . 1 1 91 91 LEU HB2 H 1 1.796 0.030 . 2 . . . . 91 LEU HB2 . 11201 1 1098 . 1 1 91 91 LEU HB3 H 1 1.403 0.030 . 2 . . . . 91 LEU HB3 . 11201 1 1099 . 1 1 91 91 LEU HD11 H 1 0.529 0.030 . 1 . . . . 91 LEU HD1 . 11201 1 1100 . 1 1 91 91 LEU HD12 H 1 0.529 0.030 . 1 . . . . 91 LEU HD1 . 11201 1 1101 . 1 1 91 91 LEU HD13 H 1 0.529 0.030 . 1 . . . . 91 LEU HD1 . 11201 1 1102 . 1 1 91 91 LEU HD21 H 1 0.527 0.030 . 1 . . . . 91 LEU HD2 . 11201 1 1103 . 1 1 91 91 LEU HD22 H 1 0.527 0.030 . 1 . . . . 91 LEU HD2 . 11201 1 1104 . 1 1 91 91 LEU HD23 H 1 0.527 0.030 . 1 . . . . 91 LEU HD2 . 11201 1 1105 . 1 1 91 91 LEU HG H 1 1.887 0.030 . 1 . . . . 91 LEU HG . 11201 1 1106 . 1 1 91 91 LEU C C 13 175.627 0.300 . 1 . . . . 91 LEU C . 11201 1 1107 . 1 1 91 91 LEU CA C 13 54.392 0.300 . 1 . . . . 91 LEU CA . 11201 1 1108 . 1 1 91 91 LEU CB C 13 39.584 0.300 . 1 . . . . 91 LEU CB . 11201 1 1109 . 1 1 91 91 LEU CD1 C 13 20.353 0.300 . 2 . . . . 91 LEU CD1 . 11201 1 1110 . 1 1 91 91 LEU CD2 C 13 23.270 0.300 . 2 . . . . 91 LEU CD2 . 11201 1 1111 . 1 1 91 91 LEU CG C 13 24.204 0.300 . 1 . . . . 91 LEU CG . 11201 1 1112 . 1 1 91 91 LEU N N 15 115.433 0.300 . 1 . . . . 91 LEU N . 11201 1 1113 . 1 1 92 92 THR H H 1 7.695 0.030 . 1 . . . . 92 THR H . 11201 1 1114 . 1 1 92 92 THR HA H 1 4.408 0.030 . 1 . . . . 92 THR HA . 11201 1 1115 . 1 1 92 92 THR HB H 1 4.408 0.030 . 1 . . . . 92 THR HB . 11201 1 1116 . 1 1 92 92 THR HG21 H 1 1.236 0.030 . 1 . . . . 92 THR HG2 . 11201 1 1117 . 1 1 92 92 THR HG22 H 1 1.236 0.030 . 1 . . . . 92 THR HG2 . 11201 1 1118 . 1 1 92 92 THR HG23 H 1 1.236 0.030 . 1 . . . . 92 THR HG2 . 11201 1 1119 . 1 1 92 92 THR C C 13 172.477 0.300 . 1 . . . . 92 THR C . 11201 1 1120 . 1 1 92 92 THR CA C 13 59.176 0.300 . 1 . . . . 92 THR CA . 11201 1 1121 . 1 1 92 92 THR CB C 13 67.895 0.300 . 1 . . . . 92 THR CB . 11201 1 1122 . 1 1 92 92 THR CG2 C 13 19.086 0.300 . 1 . . . . 92 THR CG2 . 11201 1 1123 . 1 1 92 92 THR N N 15 106.533 0.300 . 1 . . . . 92 THR N . 11201 1 1124 . 1 1 93 93 SER H H 1 7.076 0.030 . 1 . . . . 93 SER H . 11201 1 1125 . 1 1 93 93 SER HA H 1 4.353 0.030 . 1 . . . . 93 SER HA . 11201 1 1126 . 1 1 93 93 SER HB2 H 1 4.199 0.030 . 2 . . . . 93 SER HB2 . 11201 1 1127 . 1 1 93 93 SER HB3 H 1 3.920 0.030 . 2 . . . . 93 SER HB3 . 11201 1 1128 . 1 1 93 93 SER C C 13 174.116 0.300 . 1 . . . . 93 SER C . 11201 1 1129 . 1 1 93 93 SER CA C 13 56.436 0.300 . 1 . . . . 93 SER CA . 11201 1 1130 . 1 1 93 93 SER CB C 13 61.681 0.300 . 1 . . . . 93 SER CB . 11201 1 1131 . 1 1 93 93 SER N N 15 116.116 0.300 . 1 . . . . 93 SER N . 11201 1 1132 . 1 1 94 94 GLU H H 1 9.060 0.030 . 1 . . . . 94 GLU H . 11201 1 1133 . 1 1 94 94 GLU HA H 1 4.271 0.030 . 1 . . . . 94 GLU HA . 11201 1 1134 . 1 1 94 94 GLU HB2 H 1 2.137 0.030 . 2 . . . . 94 GLU HB2 . 11201 1 1135 . 1 1 94 94 GLU HB3 H 1 1.929 0.030 . 2 . . . . 94 GLU HB3 . 11201 1 1136 . 1 1 94 94 GLU HG2 H 1 2.359 0.030 . 2 . . . . 94 GLU HG2 . 11201 1 1137 . 1 1 94 94 GLU HG3 H 1 2.280 0.030 . 2 . . . . 94 GLU HG3 . 11201 1 1138 . 1 1 94 94 GLU C C 13 174.688 0.300 . 1 . . . . 94 GLU C . 11201 1 1139 . 1 1 94 94 GLU CA C 13 55.346 0.300 . 1 . . . . 94 GLU CA . 11201 1 1140 . 1 1 94 94 GLU CB C 13 27.699 0.300 . 1 . . . . 94 GLU CB . 11201 1 1141 . 1 1 94 94 GLU CG C 13 34.139 0.300 . 1 . . . . 94 GLU CG . 11201 1 1142 . 1 1 94 94 GLU N N 15 127.068 0.300 . 1 . . . . 94 GLU N . 11201 1 1143 . 1 1 95 95 GLU H H 1 8.201 0.030 . 1 . . . . 95 GLU H . 11201 1 1144 . 1 1 95 95 GLU HA H 1 4.111 0.030 . 1 . . . . 95 GLU HA . 11201 1 1145 . 1 1 95 95 GLU HB2 H 1 1.971 0.030 . 2 . . . . 95 GLU HB2 . 11201 1 1146 . 1 1 95 95 GLU HB3 H 1 1.815 0.030 . 2 . . . . 95 GLU HB3 . 11201 1 1147 . 1 1 95 95 GLU HG2 H 1 2.176 0.030 . 1 . . . . 95 GLU HG2 . 11201 1 1148 . 1 1 95 95 GLU HG3 H 1 2.176 0.030 . 1 . . . . 95 GLU HG3 . 11201 1 1149 . 1 1 95 95 GLU C C 13 174.203 0.300 . 1 . . . . 95 GLU C . 11201 1 1150 . 1 1 95 95 GLU CA C 13 55.165 0.300 . 1 . . . . 95 GLU CA . 11201 1 1151 . 1 1 95 95 GLU CB C 13 28.104 0.300 . 1 . . . . 95 GLU CB . 11201 1 1152 . 1 1 95 95 GLU CG C 13 33.921 0.300 . 1 . . . . 95 GLU CG . 11201 1 1153 . 1 1 95 95 GLU N N 15 117.099 0.300 . 1 . . . . 95 GLU N . 11201 1 1154 . 1 1 96 96 ASN H H 1 7.487 0.030 . 1 . . . . 96 ASN H . 11201 1 1155 . 1 1 96 96 ASN HA H 1 4.562 0.030 . 1 . . . . 96 ASN HA . 11201 1 1156 . 1 1 96 96 ASN HB2 H 1 2.468 0.030 . 2 . . . . 96 ASN HB2 . 11201 1 1157 . 1 1 96 96 ASN HB3 H 1 2.215 0.030 . 2 . . . . 96 ASN HB3 . 11201 1 1158 . 1 1 96 96 ASN HD21 H 1 7.006 0.030 . 2 . . . . 96 ASN HD21 . 11201 1 1159 . 1 1 96 96 ASN HD22 H 1 6.545 0.030 . 2 . . . . 96 ASN HD22 . 11201 1 1160 . 1 1 96 96 ASN C C 13 171.980 0.300 . 1 . . . . 96 ASN C . 11201 1 1161 . 1 1 96 96 ASN CA C 13 50.946 0.300 . 1 . . . . 96 ASN CA . 11201 1 1162 . 1 1 96 96 ASN CB C 13 37.189 0.300 . 1 . . . . 96 ASN CB . 11201 1 1163 . 1 1 96 96 ASN N N 15 116.592 0.300 . 1 . . . . 96 ASN N . 11201 1 1164 . 1 1 96 96 ASN ND2 N 15 111.784 0.300 . 1 . . . . 96 ASN ND2 . 11201 1 1165 . 1 1 97 97 LYS H H 1 8.425 0.030 . 1 . . . . 97 LYS H . 11201 1 1166 . 1 1 97 97 LYS HA H 1 4.318 0.030 . 1 . . . . 97 LYS HA . 11201 1 1167 . 1 1 97 97 LYS HB2 H 1 1.921 0.030 . 2 . . . . 97 LYS HB2 . 11201 1 1168 . 1 1 97 97 LYS HB3 H 1 1.567 0.030 . 2 . . . . 97 LYS HB3 . 11201 1 1169 . 1 1 97 97 LYS HD2 H 1 1.587 0.030 . 1 . . . . 97 LYS HD2 . 11201 1 1170 . 1 1 97 97 LYS HD3 H 1 1.587 0.030 . 1 . . . . 97 LYS HD3 . 11201 1 1171 . 1 1 97 97 LYS HE2 H 1 2.905 0.030 . 1 . . . . 97 LYS HE2 . 11201 1 1172 . 1 1 97 97 LYS HE3 H 1 2.905 0.030 . 1 . . . . 97 LYS HE3 . 11201 1 1173 . 1 1 97 97 LYS HG2 H 1 1.379 0.030 . 2 . . . . 97 LYS HG2 . 11201 1 1174 . 1 1 97 97 LYS HG3 H 1 1.242 0.030 . 2 . . . . 97 LYS HG3 . 11201 1 1175 . 1 1 97 97 LYS C C 13 172.367 0.300 . 1 . . . . 97 LYS C . 11201 1 1176 . 1 1 97 97 LYS CA C 13 54.653 0.300 . 1 . . . . 97 LYS CA . 11201 1 1177 . 1 1 97 97 LYS CB C 13 31.793 0.300 . 1 . . . . 97 LYS CB . 11201 1 1178 . 1 1 97 97 LYS CD C 13 26.666 0.300 . 1 . . . . 97 LYS CD . 11201 1 1179 . 1 1 97 97 LYS CE C 13 39.943 0.300 . 1 . . . . 97 LYS CE . 11201 1 1180 . 1 1 97 97 LYS CG C 13 22.919 0.300 . 1 . . . . 97 LYS CG . 11201 1 1181 . 1 1 97 97 LYS N N 15 121.003 0.300 . 1 . . . . 97 LYS N . 11201 1 1182 . 1 1 98 98 ASN H H 1 7.473 0.030 . 1 . . . . 98 ASN H . 11201 1 1183 . 1 1 98 98 ASN HA H 1 5.056 0.030 . 1 . . . . 98 ASN HA . 11201 1 1184 . 1 1 98 98 ASN HB2 H 1 2.582 0.030 . 2 . . . . 98 ASN HB2 . 11201 1 1185 . 1 1 98 98 ASN HB3 H 1 2.478 0.030 . 2 . . . . 98 ASN HB3 . 11201 1 1186 . 1 1 98 98 ASN HD21 H 1 7.429 0.030 . 2 . . . . 98 ASN HD21 . 11201 1 1187 . 1 1 98 98 ASN HD22 H 1 6.756 0.030 . 2 . . . . 98 ASN HD22 . 11201 1 1188 . 1 1 98 98 ASN C C 13 171.290 0.300 . 1 . . . . 98 ASN C . 11201 1 1189 . 1 1 98 98 ASN CA C 13 50.213 0.300 . 1 . . . . 98 ASN CA . 11201 1 1190 . 1 1 98 98 ASN CB C 13 38.127 0.300 . 1 . . . . 98 ASN CB . 11201 1 1191 . 1 1 98 98 ASN N N 15 115.553 0.300 . 1 . . . . 98 ASN N . 11201 1 1192 . 1 1 98 98 ASN ND2 N 15 112.522 0.300 . 1 . . . . 98 ASN ND2 . 11201 1 1193 . 1 1 99 99 PHE H H 1 8.713 0.030 . 1 . . . . 99 PHE H . 11201 1 1194 . 1 1 99 99 PHE HA H 1 4.944 0.030 . 1 . . . . 99 PHE HA . 11201 1 1195 . 1 1 99 99 PHE HB2 H 1 2.699 0.030 . 2 . . . . 99 PHE HB2 . 11201 1 1196 . 1 1 99 99 PHE HB3 H 1 2.496 0.030 . 2 . . . . 99 PHE HB3 . 11201 1 1197 . 1 1 99 99 PHE HD1 H 1 6.808 0.030 . 1 . . . . 99 PHE HD1 . 11201 1 1198 . 1 1 99 99 PHE HD2 H 1 6.808 0.030 . 1 . . . . 99 PHE HD2 . 11201 1 1199 . 1 1 99 99 PHE HE1 H 1 7.199 0.030 . 1 . . . . 99 PHE HE1 . 11201 1 1200 . 1 1 99 99 PHE HE2 H 1 7.199 0.030 . 1 . . . . 99 PHE HE2 . 11201 1 1201 . 1 1 99 99 PHE HZ H 1 7.314 0.030 . 1 . . . . 99 PHE HZ . 11201 1 1202 . 1 1 99 99 PHE C C 13 172.218 0.300 . 1 . . . . 99 PHE C . 11201 1 1203 . 1 1 99 99 PHE CA C 13 54.438 0.300 . 1 . . . . 99 PHE CA . 11201 1 1204 . 1 1 99 99 PHE CB C 13 40.049 0.300 . 1 . . . . 99 PHE CB . 11201 1 1205 . 1 1 99 99 PHE CD1 C 13 129.176 0.300 . 1 . . . . 99 PHE CD1 . 11201 1 1206 . 1 1 99 99 PHE CD2 C 13 129.176 0.300 . 1 . . . . 99 PHE CD2 . 11201 1 1207 . 1 1 99 99 PHE CE1 C 13 129.176 0.300 . 1 . . . . 99 PHE CE1 . 11201 1 1208 . 1 1 99 99 PHE CE2 C 13 129.176 0.300 . 1 . . . . 99 PHE CE2 . 11201 1 1209 . 1 1 99 99 PHE CZ C 13 128.786 0.300 . 1 . . . . 99 PHE CZ . 11201 1 1210 . 1 1 99 99 PHE N N 15 120.683 0.300 . 1 . . . . 99 PHE N . 11201 1 1211 . 1 1 100 100 SER H H 1 8.819 0.030 . 1 . . . . 100 SER H . 11201 1 1212 . 1 1 100 100 SER HA H 1 5.123 0.030 . 1 . . . . 100 SER HA . 11201 1 1213 . 1 1 100 100 SER HB2 H 1 3.725 0.030 . 2 . . . . 100 SER HB2 . 11201 1 1214 . 1 1 100 100 SER HB3 H 1 3.643 0.030 . 2 . . . . 100 SER HB3 . 11201 1 1215 . 1 1 100 100 SER C C 13 171.882 0.300 . 1 . . . . 100 SER C . 11201 1 1216 . 1 1 100 100 SER CA C 13 54.498 0.300 . 1 . . . . 100 SER CA . 11201 1 1217 . 1 1 100 100 SER CB C 13 61.457 0.300 . 1 . . . . 100 SER CB . 11201 1 1218 . 1 1 100 100 SER N N 15 118.562 0.300 . 1 . . . . 100 SER N . 11201 1 1219 . 1 1 101 101 LEU H H 1 9.295 0.030 . 1 . . . . 101 LEU H . 11201 1 1220 . 1 1 101 101 LEU HA H 1 5.044 0.030 . 1 . . . . 101 LEU HA . 11201 1 1221 . 1 1 101 101 LEU HB2 H 1 1.747 0.030 . 2 . . . . 101 LEU HB2 . 11201 1 1222 . 1 1 101 101 LEU HB3 H 1 1.272 0.030 . 2 . . . . 101 LEU HB3 . 11201 1 1223 . 1 1 101 101 LEU HD11 H 1 0.712 0.030 . 1 . . . . 101 LEU HD1 . 11201 1 1224 . 1 1 101 101 LEU HD12 H 1 0.712 0.030 . 1 . . . . 101 LEU HD1 . 11201 1 1225 . 1 1 101 101 LEU HD13 H 1 0.712 0.030 . 1 . . . . 101 LEU HD1 . 11201 1 1226 . 1 1 101 101 LEU HD21 H 1 0.672 0.030 . 1 . . . . 101 LEU HD2 . 11201 1 1227 . 1 1 101 101 LEU HD22 H 1 0.672 0.030 . 1 . . . . 101 LEU HD2 . 11201 1 1228 . 1 1 101 101 LEU HD23 H 1 0.672 0.030 . 1 . . . . 101 LEU HD2 . 11201 1 1229 . 1 1 101 101 LEU HG H 1 1.643 0.030 . 1 . . . . 101 LEU HG . 11201 1 1230 . 1 1 101 101 LEU C C 13 172.304 0.300 . 1 . . . . 101 LEU C . 11201 1 1231 . 1 1 101 101 LEU CA C 13 51.879 0.300 . 1 . . . . 101 LEU CA . 11201 1 1232 . 1 1 101 101 LEU CB C 13 41.739 0.300 . 1 . . . . 101 LEU CB . 11201 1 1233 . 1 1 101 101 LEU CD1 C 13 23.820 0.300 . 2 . . . . 101 LEU CD1 . 11201 1 1234 . 1 1 101 101 LEU CD2 C 13 23.408 0.300 . 2 . . . . 101 LEU CD2 . 11201 1 1235 . 1 1 101 101 LEU CG C 13 26.230 0.300 . 1 . . . . 101 LEU CG . 11201 1 1236 . 1 1 101 101 LEU N N 15 128.485 0.300 . 1 . . . . 101 LEU N . 11201 1 1237 . 1 1 102 102 LEU H H 1 8.469 0.030 . 1 . . . . 102 LEU H . 11201 1 1238 . 1 1 102 102 LEU HA H 1 5.035 0.030 . 1 . . . . 102 LEU HA . 11201 1 1239 . 1 1 102 102 LEU HB2 H 1 1.626 0.030 . 2 . . . . 102 LEU HB2 . 11201 1 1240 . 1 1 102 102 LEU HB3 H 1 1.290 0.030 . 2 . . . . 102 LEU HB3 . 11201 1 1241 . 1 1 102 102 LEU HD11 H 1 0.697 0.030 . 1 . . . . 102 LEU HD1 . 11201 1 1242 . 1 1 102 102 LEU HD12 H 1 0.697 0.030 . 1 . . . . 102 LEU HD1 . 11201 1 1243 . 1 1 102 102 LEU HD13 H 1 0.697 0.030 . 1 . . . . 102 LEU HD1 . 11201 1 1244 . 1 1 102 102 LEU HD21 H 1 0.749 0.030 . 1 . . . . 102 LEU HD2 . 11201 1 1245 . 1 1 102 102 LEU HD22 H 1 0.749 0.030 . 1 . . . . 102 LEU HD2 . 11201 1 1246 . 1 1 102 102 LEU HD23 H 1 0.749 0.030 . 1 . . . . 102 LEU HD2 . 11201 1 1247 . 1 1 102 102 LEU HG H 1 1.254 0.030 . 1 . . . . 102 LEU HG . 11201 1 1248 . 1 1 102 102 LEU C C 13 173.050 0.300 . 1 . . . . 102 LEU C . 11201 1 1249 . 1 1 102 102 LEU CA C 13 51.894 0.300 . 1 . . . . 102 LEU CA . 11201 1 1250 . 1 1 102 102 LEU CB C 13 41.717 0.300 . 1 . . . . 102 LEU CB . 11201 1 1251 . 1 1 102 102 LEU CD1 C 13 23.038 0.300 . 2 . . . . 102 LEU CD1 . 11201 1 1252 . 1 1 102 102 LEU CD2 C 13 21.006 0.300 . 2 . . . . 102 LEU CD2 . 11201 1 1253 . 1 1 102 102 LEU CG C 13 24.959 0.300 . 1 . . . . 102 LEU CG . 11201 1 1254 . 1 1 102 102 LEU N N 15 125.137 0.300 . 1 . . . . 102 LEU N . 11201 1 1255 . 1 1 103 103 ILE H H 1 8.992 0.030 . 1 . . . . 103 ILE H . 11201 1 1256 . 1 1 103 103 ILE HA H 1 5.274 0.030 . 1 . . . . 103 ILE HA . 11201 1 1257 . 1 1 103 103 ILE HB H 1 1.837 0.030 . 1 . . . . 103 ILE HB . 11201 1 1258 . 1 1 103 103 ILE HD11 H 1 0.642 0.030 . 1 . . . . 103 ILE HD1 . 11201 1 1259 . 1 1 103 103 ILE HD12 H 1 0.642 0.030 . 1 . . . . 103 ILE HD1 . 11201 1 1260 . 1 1 103 103 ILE HD13 H 1 0.642 0.030 . 1 . . . . 103 ILE HD1 . 11201 1 1261 . 1 1 103 103 ILE HG12 H 1 1.295 0.030 . 2 . . . . 103 ILE HG12 . 11201 1 1262 . 1 1 103 103 ILE HG13 H 1 1.128 0.030 . 2 . . . . 103 ILE HG13 . 11201 1 1263 . 1 1 103 103 ILE HG21 H 1 0.729 0.030 . 1 . . . . 103 ILE HG2 . 11201 1 1264 . 1 1 103 103 ILE HG22 H 1 0.729 0.030 . 1 . . . . 103 ILE HG2 . 11201 1 1265 . 1 1 103 103 ILE HG23 H 1 0.729 0.030 . 1 . . . . 103 ILE HG2 . 11201 1 1266 . 1 1 103 103 ILE C C 13 171.710 0.300 . 1 . . . . 103 ILE C . 11201 1 1267 . 1 1 103 103 ILE CA C 13 55.694 0.300 . 1 . . . . 103 ILE CA . 11201 1 1268 . 1 1 103 103 ILE CB C 13 39.156 0.300 . 1 . . . . 103 ILE CB . 11201 1 1269 . 1 1 103 103 ILE CD1 C 13 11.576 0.300 . 1 . . . . 103 ILE CD1 . 11201 1 1270 . 1 1 103 103 ILE CG1 C 13 24.199 0.300 . 1 . . . . 103 ILE CG1 . 11201 1 1271 . 1 1 103 103 ILE CG2 C 13 16.218 0.300 . 1 . . . . 103 ILE CG2 . 11201 1 1272 . 1 1 103 103 ILE N N 15 123.984 0.300 . 1 . . . . 103 ILE N . 11201 1 1273 . 1 1 104 104 ALA H H 1 8.901 0.030 . 1 . . . . 104 ALA H . 11201 1 1274 . 1 1 104 104 ALA HA H 1 5.304 0.030 . 1 . . . . 104 ALA HA . 11201 1 1275 . 1 1 104 104 ALA HB1 H 1 1.169 0.030 . 1 . . . . 104 ALA HB . 11201 1 1276 . 1 1 104 104 ALA HB2 H 1 1.169 0.030 . 1 . . . . 104 ALA HB . 11201 1 1277 . 1 1 104 104 ALA HB3 H 1 1.169 0.030 . 1 . . . . 104 ALA HB . 11201 1 1278 . 1 1 104 104 ALA C C 13 174.074 0.300 . 1 . . . . 104 ALA C . 11201 1 1279 . 1 1 104 104 ALA CA C 13 47.655 0.300 . 1 . . . . 104 ALA CA . 11201 1 1280 . 1 1 104 104 ALA CB C 13 21.097 0.300 . 1 . . . . 104 ALA CB . 11201 1 1281 . 1 1 104 104 ALA N N 15 122.875 0.300 . 1 . . . . 104 ALA N . 11201 1 1282 . 1 1 105 105 ARG H H 1 8.697 0.030 . 1 . . . . 105 ARG H . 11201 1 1283 . 1 1 105 105 ARG HA H 1 4.974 0.030 . 1 . . . . 105 ARG HA . 11201 1 1284 . 1 1 105 105 ARG HB2 H 1 1.954 0.030 . 2 . . . . 105 ARG HB2 . 11201 1 1285 . 1 1 105 105 ARG HB3 H 1 1.640 0.030 . 2 . . . . 105 ARG HB3 . 11201 1 1286 . 1 1 105 105 ARG HD2 H 1 3.105 0.030 . 2 . . . . 105 ARG HD2 . 11201 1 1287 . 1 1 105 105 ARG HD3 H 1 2.989 0.030 . 2 . . . . 105 ARG HD3 . 11201 1 1288 . 1 1 105 105 ARG HE H 1 8.653 0.030 . 1 . . . . 105 ARG HE . 11201 1 1289 . 1 1 105 105 ARG HG2 H 1 1.475 0.030 . 1 . . . . 105 ARG HG2 . 11201 1 1290 . 1 1 105 105 ARG HG3 H 1 1.475 0.030 . 1 . . . . 105 ARG HG3 . 11201 1 1291 . 1 1 105 105 ARG C C 13 171.022 0.300 . 1 . . . . 105 ARG C . 11201 1 1292 . 1 1 105 105 ARG CA C 13 51.090 0.300 . 1 . . . . 105 ARG CA . 11201 1 1293 . 1 1 105 105 ARG CB C 13 29.154 0.300 . 1 . . . . 105 ARG CB . 11201 1 1294 . 1 1 105 105 ARG CD C 13 41.017 0.300 . 1 . . . . 105 ARG CD . 11201 1 1295 . 1 1 105 105 ARG CG C 13 24.329 0.300 . 1 . . . . 105 ARG CG . 11201 1 1296 . 1 1 105 105 ARG N N 15 121.569 0.300 . 1 . . . . 105 ARG N . 11201 1 1297 . 1 1 105 105 ARG NE N 15 84.945 0.300 . 1 . . . . 105 ARG NE . 11201 1 1298 . 1 1 106 106 PRO HA H 1 4.497 0.030 . 1 . . . . 106 PRO HA . 11201 1 1299 . 1 1 106 106 PRO HB2 H 1 2.277 0.030 . 2 . . . . 106 PRO HB2 . 11201 1 1300 . 1 1 106 106 PRO HB3 H 1 1.827 0.030 . 2 . . . . 106 PRO HB3 . 11201 1 1301 . 1 1 106 106 PRO HD2 H 1 3.897 0.030 . 2 . . . . 106 PRO HD2 . 11201 1 1302 . 1 1 106 106 PRO HD3 H 1 3.698 0.030 . 2 . . . . 106 PRO HD3 . 11201 1 1303 . 1 1 106 106 PRO HG2 H 1 2.052 0.030 . 2 . . . . 106 PRO HG2 . 11201 1 1304 . 1 1 106 106 PRO HG3 H 1 1.946 0.030 . 2 . . . . 106 PRO HG3 . 11201 1 1305 . 1 1 106 106 PRO C C 13 174.352 0.300 . 1 . . . . 106 PRO C . 11201 1 1306 . 1 1 106 106 PRO CA C 13 60.764 0.300 . 1 . . . . 106 PRO CA . 11201 1 1307 . 1 1 106 106 PRO CB C 13 29.864 0.300 . 1 . . . . 106 PRO CB . 11201 1 1308 . 1 1 106 106 PRO CD C 13 48.569 0.300 . 1 . . . . 106 PRO CD . 11201 1 1309 . 1 1 106 106 PRO CG C 13 25.358 0.300 . 1 . . . . 106 PRO CG . 11201 1 1310 . 1 1 107 107 GLU H H 1 8.410 0.030 . 1 . . . . 107 GLU H . 11201 1 1311 . 1 1 107 107 GLU HA H 1 4.167 0.030 . 1 . . . . 107 GLU HA . 11201 1 1312 . 1 1 107 107 GLU HB2 H 1 1.891 0.030 . 2 . . . . 107 GLU HB2 . 11201 1 1313 . 1 1 107 107 GLU HB3 H 1 1.811 0.030 . 2 . . . . 107 GLU HB3 . 11201 1 1314 . 1 1 107 107 GLU HG2 H 1 2.200 0.030 . 2 . . . . 107 GLU HG2 . 11201 1 1315 . 1 1 107 107 GLU HG3 H 1 2.166 0.030 . 2 . . . . 107 GLU HG3 . 11201 1 1316 . 1 1 107 107 GLU C C 13 173.855 0.300 . 1 . . . . 107 GLU C . 11201 1 1317 . 1 1 107 107 GLU CA C 13 54.080 0.300 . 1 . . . . 107 GLU CA . 11201 1 1318 . 1 1 107 107 GLU CB C 13 27.873 0.300 . 1 . . . . 107 GLU CB . 11201 1 1319 . 1 1 107 107 GLU CG C 13 33.671 0.300 . 1 . . . . 107 GLU CG . 11201 1 1320 . 1 1 107 107 GLU N N 15 121.582 0.300 . 1 . . . . 107 GLU N . 11201 1 1321 . 1 1 108 108 LEU H H 1 8.234 0.030 . 1 . . . . 108 LEU H . 11201 1 1322 . 1 1 108 108 LEU HA H 1 4.269 0.030 . 1 . . . . 108 LEU HA . 11201 1 1323 . 1 1 108 108 LEU HB2 H 1 1.518 0.030 . 2 . . . . 108 LEU HB2 . 11201 1 1324 . 1 1 108 108 LEU HB3 H 1 1.453 0.030 . 2 . . . . 108 LEU HB3 . 11201 1 1325 . 1 1 108 108 LEU HD11 H 1 0.824 0.030 . 1 . . . . 108 LEU HD1 . 11201 1 1326 . 1 1 108 108 LEU HD12 H 1 0.824 0.030 . 1 . . . . 108 LEU HD1 . 11201 1 1327 . 1 1 108 108 LEU HD13 H 1 0.824 0.030 . 1 . . . . 108 LEU HD1 . 11201 1 1328 . 1 1 108 108 LEU HD21 H 1 0.778 0.030 . 1 . . . . 108 LEU HD2 . 11201 1 1329 . 1 1 108 108 LEU HD22 H 1 0.778 0.030 . 1 . . . . 108 LEU HD2 . 11201 1 1330 . 1 1 108 108 LEU HD23 H 1 0.778 0.030 . 1 . . . . 108 LEU HD2 . 11201 1 1331 . 1 1 108 108 LEU HG H 1 1.488 0.030 . 1 . . . . 108 LEU HG . 11201 1 1332 . 1 1 108 108 LEU C C 13 174.507 0.300 . 1 . . . . 108 LEU C . 11201 1 1333 . 1 1 108 108 LEU CA C 13 52.636 0.300 . 1 . . . . 108 LEU CA . 11201 1 1334 . 1 1 108 108 LEU CB C 13 40.332 0.300 . 1 . . . . 108 LEU CB . 11201 1 1335 . 1 1 108 108 LEU CD1 C 13 22.448 0.300 . 2 . . . . 108 LEU CD1 . 11201 1 1336 . 1 1 108 108 LEU CD2 C 13 21.553 0.300 . 2 . . . . 108 LEU CD2 . 11201 1 1337 . 1 1 108 108 LEU CG C 13 24.716 0.300 . 1 . . . . 108 LEU CG . 11201 1 1338 . 1 1 108 108 LEU N N 15 124.553 0.300 . 1 . . . . 108 LEU N . 11201 1 1339 . 1 1 109 109 GLN H H 1 8.434 0.030 . 1 . . . . 109 GLN H . 11201 1 1340 . 1 1 109 109 GLN HA H 1 4.271 0.030 . 1 . . . . 109 GLN HA . 11201 1 1341 . 1 1 109 109 GLN HB2 H 1 1.993 0.030 . 2 . . . . 109 GLN HB2 . 11201 1 1342 . 1 1 109 109 GLN HB3 H 1 1.872 0.030 . 2 . . . . 109 GLN HB3 . 11201 1 1343 . 1 1 109 109 GLN HE21 H 1 7.484 0.030 . 2 . . . . 109 GLN HE21 . 11201 1 1344 . 1 1 109 109 GLN HE22 H 1 6.774 0.030 . 2 . . . . 109 GLN HE22 . 11201 1 1345 . 1 1 109 109 GLN HG2 H 1 2.253 0.030 . 1 . . . . 109 GLN HG2 . 11201 1 1346 . 1 1 109 109 GLN HG3 H 1 2.253 0.030 . 1 . . . . 109 GLN HG3 . 11201 1 1347 . 1 1 109 109 GLN C C 13 173.340 0.300 . 1 . . . . 109 GLN C . 11201 1 1348 . 1 1 109 109 GLN CA C 13 52.954 0.300 . 1 . . . . 109 GLN CA . 11201 1 1349 . 1 1 109 109 GLN CB C 13 27.043 0.300 . 1 . . . . 109 GLN CB . 11201 1 1350 . 1 1 109 109 GLN CG C 13 31.462 0.300 . 1 . . . . 109 GLN CG . 11201 1 1351 . 1 1 109 109 GLN N N 15 122.515 0.300 . 1 . . . . 109 GLN N . 11201 1 1352 . 1 1 109 109 GLN NE2 N 15 112.173 0.300 . 1 . . . . 109 GLN NE2 . 11201 1 1353 . 1 1 110 110 LEU H H 1 8.273 0.030 . 1 . . . . 110 LEU H . 11201 1 1354 . 1 1 110 110 LEU HA H 1 4.249 0.030 . 1 . . . . 110 LEU HA . 11201 1 1355 . 1 1 110 110 LEU HB2 H 1 1.517 0.030 . 2 . . . . 110 LEU HB2 . 11201 1 1356 . 1 1 110 110 LEU HB3 H 1 1.459 0.030 . 2 . . . . 110 LEU HB3 . 11201 1 1357 . 1 1 110 110 LEU HD11 H 1 0.769 0.030 . 1 . . . . 110 LEU HD1 . 11201 1 1358 . 1 1 110 110 LEU HD12 H 1 0.769 0.030 . 1 . . . . 110 LEU HD1 . 11201 1 1359 . 1 1 110 110 LEU HD13 H 1 0.769 0.030 . 1 . . . . 110 LEU HD1 . 11201 1 1360 . 1 1 110 110 LEU HD21 H 1 0.718 0.030 . 1 . . . . 110 LEU HD2 . 11201 1 1361 . 1 1 110 110 LEU HD22 H 1 0.718 0.030 . 1 . . . . 110 LEU HD2 . 11201 1 1362 . 1 1 110 110 LEU HD23 H 1 0.718 0.030 . 1 . . . . 110 LEU HD2 . 11201 1 1363 . 1 1 110 110 LEU HG H 1 1.487 0.030 . 1 . . . . 110 LEU HG . 11201 1 1364 . 1 1 110 110 LEU C C 13 174.593 0.300 . 1 . . . . 110 LEU C . 11201 1 1365 . 1 1 110 110 LEU CA C 13 52.742 0.300 . 1 . . . . 110 LEU CA . 11201 1 1366 . 1 1 110 110 LEU CB C 13 40.305 0.300 . 1 . . . . 110 LEU CB . 11201 1 1367 . 1 1 110 110 LEU CD1 C 13 22.530 0.300 . 2 . . . . 110 LEU CD1 . 11201 1 1368 . 1 1 110 110 LEU CD2 C 13 21.135 0.300 . 2 . . . . 110 LEU CD2 . 11201 1 1369 . 1 1 110 110 LEU CG C 13 24.553 0.300 . 1 . . . . 110 LEU CG . 11201 1 1370 . 1 1 110 110 LEU N N 15 124.227 0.300 . 1 . . . . 110 LEU N . 11201 1 1371 . 1 1 111 111 ASP H H 1 8.287 0.030 . 1 . . . . 111 ASP H . 11201 1 1372 . 1 1 111 111 ASP HA H 1 4.528 0.030 . 1 . . . . 111 ASP HA . 11201 1 1373 . 1 1 111 111 ASP HB2 H 1 2.632 0.030 . 2 . . . . 111 ASP HB2 . 11201 1 1374 . 1 1 111 111 ASP HB3 H 1 2.535 0.030 . 2 . . . . 111 ASP HB3 . 11201 1 1375 . 1 1 111 111 ASP C C 13 173.931 0.300 . 1 . . . . 111 ASP C . 11201 1 1376 . 1 1 111 111 ASP CA C 13 51.984 0.300 . 1 . . . . 111 ASP CA . 11201 1 1377 . 1 1 111 111 ASP CB C 13 38.995 0.300 . 1 . . . . 111 ASP CB . 11201 1 1378 . 1 1 111 111 ASP N N 15 121.276 0.300 . 1 . . . . 111 ASP N . 11201 1 1379 . 1 1 112 112 GLU H H 1 8.340 0.030 . 1 . . . . 112 GLU H . 11201 1 1380 . 1 1 112 112 GLU HA H 1 4.175 0.030 . 1 . . . . 112 GLU HA . 11201 1 1381 . 1 1 112 112 GLU HB2 H 1 1.976 0.030 . 2 . . . . 112 GLU HB2 . 11201 1 1382 . 1 1 112 112 GLU HB3 H 1 1.799 0.030 . 2 . . . . 112 GLU HB3 . 11201 1 1383 . 1 1 112 112 GLU HG2 H 1 2.168 0.030 . 1 . . . . 112 GLU HG2 . 11201 1 1384 . 1 1 112 112 GLU HG3 H 1 2.168 0.030 . 1 . . . . 112 GLU HG3 . 11201 1 1385 . 1 1 112 112 GLU C C 13 174.835 0.300 . 1 . . . . 112 GLU C . 11201 1 1386 . 1 1 112 112 GLU CA C 13 54.628 0.300 . 1 . . . . 112 GLU CA . 11201 1 1387 . 1 1 112 112 GLU CB C 13 27.852 0.300 . 1 . . . . 112 GLU CB . 11201 1 1388 . 1 1 112 112 GLU CG C 13 33.994 0.300 . 1 . . . . 112 GLU CG . 11201 1 1389 . 1 1 112 112 GLU N N 15 121.384 0.300 . 1 . . . . 112 GLU N . 11201 1 1390 . 1 1 113 113 GLY H H 1 8.434 0.030 . 1 . . . . 113 GLY H . 11201 1 1391 . 1 1 113 113 GLY HA2 H 1 3.830 0.030 . 2 . . . . 113 GLY HA2 . 11201 1 1392 . 1 1 113 113 GLY HA3 H 1 3.819 0.030 . 2 . . . . 113 GLY HA3 . 11201 1 1393 . 1 1 113 113 GLY C C 13 171.820 0.300 . 1 . . . . 113 GLY C . 11201 1 1394 . 1 1 113 113 GLY CA C 13 43.279 0.300 . 1 . . . . 113 GLY CA . 11201 1 1395 . 1 1 113 113 GLY N N 15 109.295 0.300 . 1 . . . . 113 GLY N . 11201 1 1396 . 1 1 114 114 TRP H H 1 7.813 0.030 . 1 . . . . 114 TRP H . 11201 1 1397 . 1 1 114 114 TRP HA H 1 4.509 0.030 . 1 . . . . 114 TRP HA . 11201 1 1398 . 1 1 114 114 TRP HB2 H 1 3.205 0.030 . 1 . . . . 114 TRP HB2 . 11201 1 1399 . 1 1 114 114 TRP HB3 H 1 3.205 0.030 . 1 . . . . 114 TRP HB3 . 11201 1 1400 . 1 1 114 114 TRP HD1 H 1 7.191 0.030 . 1 . . . . 114 TRP HD1 . 11201 1 1401 . 1 1 114 114 TRP HE1 H 1 10.083 0.030 . 1 . . . . 114 TRP HE1 . 11201 1 1402 . 1 1 114 114 TRP HE3 H 1 7.506 0.030 . 1 . . . . 114 TRP HE3 . 11201 1 1403 . 1 1 114 114 TRP HH2 H 1 7.133 0.030 . 1 . . . . 114 TRP HH2 . 11201 1 1404 . 1 1 114 114 TRP HZ2 H 1 7.410 0.030 . 1 . . . . 114 TRP HZ2 . 11201 1 1405 . 1 1 114 114 TRP HZ3 H 1 7.053 0.030 . 1 . . . . 114 TRP HZ3 . 11201 1 1406 . 1 1 114 114 TRP C C 13 173.869 0.300 . 1 . . . . 114 TRP C . 11201 1 1407 . 1 1 114 114 TRP CA C 13 55.210 0.300 . 1 . . . . 114 TRP CA . 11201 1 1408 . 1 1 114 114 TRP CB C 13 27.075 0.300 . 1 . . . . 114 TRP CB . 11201 1 1409 . 1 1 114 114 TRP CD1 C 13 125.137 0.300 . 1 . . . . 114 TRP CD1 . 11201 1 1410 . 1 1 114 114 TRP CE3 C 13 118.617 0.300 . 1 . . . . 114 TRP CE3 . 11201 1 1411 . 1 1 114 114 TRP CH2 C 13 122.337 0.300 . 1 . . . . 114 TRP CH2 . 11201 1 1412 . 1 1 114 114 TRP CZ2 C 13 112.310 0.300 . 1 . . . . 114 TRP CZ2 . 11201 1 1413 . 1 1 114 114 TRP CZ3 C 13 119.715 0.300 . 1 . . . . 114 TRP CZ3 . 11201 1 1414 . 1 1 114 114 TRP N N 15 120.408 0.300 . 1 . . . . 114 TRP N . 11201 1 1415 . 1 1 114 114 TRP NE1 N 15 129.345 0.300 . 1 . . . . 114 TRP NE1 . 11201 1 1416 . 1 1 115 115 MET H H 1 7.847 0.030 . 1 . . . . 115 MET H . 11201 1 1417 . 1 1 115 115 MET HA H 1 4.208 0.030 . 1 . . . . 115 MET HA . 11201 1 1418 . 1 1 115 115 MET HB2 H 1 1.804 0.030 . 2 . . . . 115 MET HB2 . 11201 1 1419 . 1 1 115 115 MET HB3 H 1 1.688 0.030 . 2 . . . . 115 MET HB3 . 11201 1 1420 . 1 1 115 115 MET HE1 H 1 1.936 0.030 . 1 . . . . 115 MET HE . 11201 1 1421 . 1 1 115 115 MET HE2 H 1 1.936 0.030 . 1 . . . . 115 MET HE . 11201 1 1422 . 1 1 115 115 MET HE3 H 1 1.936 0.030 . 1 . . . . 115 MET HE . 11201 1 1423 . 1 1 115 115 MET HG2 H 1 2.158 0.030 . 2 . . . . 115 MET HG2 . 11201 1 1424 . 1 1 115 115 MET HG3 H 1 2.134 0.030 . 2 . . . . 115 MET HG3 . 11201 1 1425 . 1 1 115 115 MET C C 13 172.960 0.300 . 1 . . . . 115 MET C . 11201 1 1426 . 1 1 115 115 MET CA C 13 53.014 0.300 . 1 . . . . 115 MET CA . 11201 1 1427 . 1 1 115 115 MET CB C 13 30.904 0.300 . 1 . . . . 115 MET CB . 11201 1 1428 . 1 1 115 115 MET CE C 13 14.638 0.300 . 1 . . . . 115 MET CE . 11201 1 1429 . 1 1 115 115 MET CG C 13 29.377 0.300 . 1 . . . . 115 MET CG . 11201 1 1430 . 1 1 115 115 MET N N 15 122.012 0.300 . 1 . . . . 115 MET N . 11201 1 1431 . 1 1 116 116 ASP H H 1 7.971 0.030 . 1 . . . . 116 ASP H . 11201 1 1432 . 1 1 116 116 ASP HA H 1 4.406 0.030 . 1 . . . . 116 ASP HA . 11201 1 1433 . 1 1 116 116 ASP HB2 H 1 2.618 0.030 . 2 . . . . 116 ASP HB2 . 11201 1 1434 . 1 1 116 116 ASP HB3 H 1 2.459 0.030 . 2 . . . . 116 ASP HB3 . 11201 1 1435 . 1 1 116 116 ASP C C 13 173.571 0.300 . 1 . . . . 116 ASP C . 11201 1 1436 . 1 1 116 116 ASP CA C 13 51.923 0.300 . 1 . . . . 116 ASP CA . 11201 1 1437 . 1 1 116 116 ASP CB C 13 38.933 0.300 . 1 . . . . 116 ASP CB . 11201 1 1438 . 1 1 116 116 ASP N N 15 121.105 0.300 . 1 . . . . 116 ASP N . 11201 1 1439 . 1 1 117 117 ASP H H 1 8.160 0.030 . 1 . . . . 117 ASP H . 11201 1 1440 . 1 1 117 117 ASP HA H 1 4.534 0.030 . 1 . . . . 117 ASP HA . 11201 1 1441 . 1 1 117 117 ASP HB2 H 1 2.581 0.030 . 1 . . . . 117 ASP HB2 . 11201 1 1442 . 1 1 117 117 ASP HB3 H 1 2.581 0.030 . 1 . . . . 117 ASP HB3 . 11201 1 1443 . 1 1 117 117 ASP C C 13 173.814 0.300 . 1 . . . . 117 ASP C . 11201 1 1444 . 1 1 117 117 ASP CA C 13 51.988 0.300 . 1 . . . . 117 ASP CA . 11201 1 1445 . 1 1 117 117 ASP CB C 13 38.815 0.300 . 1 . . . . 117 ASP CB . 11201 1 1446 . 1 1 117 117 ASP N N 15 120.696 0.300 . 1 . . . . 117 ASP N . 11201 1 1447 . 1 1 118 118 ASP H H 1 8.280 0.030 . 1 . . . . 118 ASP H . 11201 1 1448 . 1 1 118 118 ASP HA H 1 4.577 0.030 . 1 . . . . 118 ASP HA . 11201 1 1449 . 1 1 118 118 ASP HB2 H 1 2.620 0.030 . 1 . . . . 118 ASP HB2 . 11201 1 1450 . 1 1 118 118 ASP HB3 H 1 2.620 0.030 . 1 . . . . 118 ASP HB3 . 11201 1 1451 . 1 1 118 118 ASP C C 13 174.142 0.300 . 1 . . . . 118 ASP C . 11201 1 1452 . 1 1 118 118 ASP CA C 13 52.091 0.300 . 1 . . . . 118 ASP CA . 11201 1 1453 . 1 1 118 118 ASP CB C 13 38.828 0.300 . 1 . . . . 118 ASP CB . 11201 1 1454 . 1 1 118 118 ASP N N 15 120.906 0.300 . 1 . . . . 118 ASP N . 11201 1 1455 . 1 1 119 119 SER H H 1 8.186 0.030 . 1 . . . . 119 SER H . 11201 1 1456 . 1 1 119 119 SER HA H 1 4.353 0.030 . 1 . . . . 119 SER HA . 11201 1 1457 . 1 1 119 119 SER HB2 H 1 3.854 0.030 . 2 . . . . 119 SER HB2 . 11201 1 1458 . 1 1 119 119 SER HB3 H 1 3.806 0.030 . 2 . . . . 119 SER HB3 . 11201 1 1459 . 1 1 119 119 SER C C 13 172.633 0.300 . 1 . . . . 119 SER C . 11201 1 1460 . 1 1 119 119 SER CA C 13 56.557 0.300 . 1 . . . . 119 SER CA . 11201 1 1461 . 1 1 119 119 SER CB C 13 61.617 0.300 . 1 . . . . 119 SER CB . 11201 1 1462 . 1 1 119 119 SER N N 15 115.781 0.300 . 1 . . . . 119 SER N . 11201 1 1463 . 1 1 120 120 GLY H H 1 8.169 0.030 . 1 . . . . 120 GLY H . 11201 1 1464 . 1 1 120 120 GLY HA2 H 1 4.026 0.030 . 2 . . . . 120 GLY HA2 . 11201 1 1465 . 1 1 120 120 GLY HA3 H 1 3.996 0.030 . 2 . . . . 120 GLY HA3 . 11201 1 1466 . 1 1 120 120 GLY C C 13 169.597 0.300 . 1 . . . . 120 GLY C . 11201 1 1467 . 1 1 120 120 GLY CA C 13 42.444 0.300 . 1 . . . . 120 GLY CA . 11201 1 1468 . 1 1 120 120 GLY N N 15 110.325 0.300 . 1 . . . . 120 GLY N . 11201 1 1469 . 1 1 121 121 PRO HA H 1 4.389 0.030 . 1 . . . . 121 PRO HA . 11201 1 1470 . 1 1 121 121 PRO HB2 H 1 2.211 0.030 . 1 . . . . 121 PRO HB2 . 11201 1 1471 . 1 1 121 121 PRO HB3 H 1 2.211 0.030 . 1 . . . . 121 PRO HB3 . 11201 1 1472 . 1 1 121 121 PRO HD2 H 1 3.524 0.030 . 1 . . . . 121 PRO HD2 . 11201 1 1473 . 1 1 121 121 PRO HD3 H 1 3.524 0.030 . 1 . . . . 121 PRO HD3 . 11201 1 1474 . 1 1 121 121 PRO HG2 H 1 1.928 0.030 . 1 . . . . 121 PRO HG2 . 11201 1 1475 . 1 1 121 121 PRO HG3 H 1 1.928 0.030 . 1 . . . . 121 PRO HG3 . 11201 1 1476 . 1 1 121 121 PRO C C 13 175.159 0.300 . 1 . . . . 121 PRO C . 11201 1 1477 . 1 1 121 121 PRO CA C 13 60.902 0.300 . 1 . . . . 121 PRO CA . 11201 1 1478 . 1 1 121 121 PRO CB C 13 29.810 0.300 . 1 . . . . 121 PRO CB . 11201 1 1479 . 1 1 121 121 PRO CD C 13 47.493 0.300 . 1 . . . . 121 PRO CD . 11201 1 1480 . 1 1 121 121 PRO CG C 13 24.852 0.300 . 1 . . . . 121 PRO CG . 11201 1 1481 . 1 1 122 122 SER H H 1 8.434 0.030 . 1 . . . . 122 SER H . 11201 1 1482 . 1 1 122 122 SER HA H 1 4.429 0.030 . 1 . . . . 122 SER HA . 11201 1 1483 . 1 1 122 122 SER HB2 H 1 3.851 0.030 . 1 . . . . 122 SER HB2 . 11201 1 1484 . 1 1 122 122 SER HB3 H 1 3.851 0.030 . 1 . . . . 122 SER HB3 . 11201 1 1485 . 1 1 122 122 SER C C 13 172.483 0.300 . 1 . . . . 122 SER C . 11201 1 1486 . 1 1 122 122 SER CA C 13 55.997 0.300 . 1 . . . . 122 SER CA . 11201 1 1487 . 1 1 122 122 SER CB C 13 61.498 0.300 . 1 . . . . 122 SER CB . 11201 1 1488 . 1 1 122 122 SER N N 15 116.096 0.300 . 1 . . . . 122 SER N . 11201 1 1489 . 1 1 123 123 SER H H 1 8.265 0.030 . 1 . . . . 123 SER H . 11201 1 1490 . 1 1 123 123 SER HA H 1 4.440 0.030 . 1 . . . . 123 SER HA . 11201 1 1491 . 1 1 123 123 SER HB2 H 1 3.851 0.030 . 1 . . . . 123 SER HB2 . 11201 1 1492 . 1 1 123 123 SER HB3 H 1 3.851 0.030 . 1 . . . . 123 SER HB3 . 11201 1 1493 . 1 1 123 123 SER C C 13 171.698 0.300 . 1 . . . . 123 SER C . 11201 1 1494 . 1 1 123 123 SER CA C 13 56.057 0.300 . 1 . . . . 123 SER CA . 11201 1 1495 . 1 1 123 123 SER CB C 13 61.750 0.300 . 1 . . . . 123 SER CB . 11201 1 1496 . 1 1 123 123 SER N N 15 117.632 0.300 . 1 . . . . 123 SER N . 11201 1 1497 . 1 1 124 124 GLY H H 1 7.972 0.030 . 1 . . . . 124 GLY H . 11201 1 1498 . 1 1 124 124 GLY HA2 H 1 3.829 0.030 . 1 . . . . 124 GLY HA2 . 11201 1 1499 . 1 1 124 124 GLY HA3 H 1 3.829 0.030 . 1 . . . . 124 GLY HA3 . 11201 1 1500 . 1 1 124 124 GLY C C 13 176.725 0.300 . 1 . . . . 124 GLY C . 11201 1 1501 . 1 1 124 124 GLY CA C 13 41.186 0.300 . 1 . . . . 124 GLY CA . 11201 1 1502 . 1 1 124 124 GLY N N 15 116.454 0.300 . 1 . . . . 124 GLY N . 11201 1 stop_ save_