data_11126 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11126 _Entry.Title ; Solution structure of the second CH domain of human spectrin beta chain, brain 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-31 _Entry.Accession_date 2010-03-31 _Entry.Last_release_date 2011-04-01 _Entry.Original_release_date 2011-04-01 _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 T. Tomizawa . . . 11126 2 T. Kigawa . . . 11126 3 S. Koshiba . . . 11126 4 M. Inoue . . . 11126 5 S. Yokoyama . . . 11126 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)' . 11126 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11126 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 543 11126 '15N chemical shifts' 123 11126 '1H chemical shifts' 843 11126 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 . . 2011-04-01 2010-03-31 original author . 11126 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WYQ 'BMRB Entry Tracking System' 11126 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11126 _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 second CH domain of human spectrin beta chain, brain 2' _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 T. Tomizawa . . . 11126 1 2 T. Kigawa . . . 11126 1 3 S. Koshiba . . . 11126 1 4 M. Inoue . . . 11126 1 5 S. Yokoyama . . . 11126 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11126 _Assembly.ID 1 _Assembly.Name 'Spectrin beta chain, brain 2' _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 'CH domain' 1 $entity_1 A . yes native no no . . . 11126 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 1wyq . . . . . . 11126 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11126 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CH 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 ; GSSGSSGAKDALLLWCQMKT AGYPNVNVHNFTTSWRDGLA FNAIVHKHRPDLLDFESLKK CNAHYNLQNAFNLAEKELGL TKLLDPEDVNVDQPDEKSII TYVATYYHYFSKMKALAVEG KSGPSSG ; _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 127 _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 1WYQ . "Solution Structure Of The Second Ch Domain Of Human Spectrin Beta Chain, Brain 2" . . . . . 100.00 127 100.00 100.00 1.11e-88 . . . . 11126 1 2 no DBJ BAA32473 . "brain beta 3 spectrin [Rattus norvegicus]" . . . . . 89.76 2388 100.00 100.00 7.63e-73 . . . . 11126 1 3 no DBJ BAA32699 . "beta-spectrin III [Rattus norvegicus]" . . . . . 89.76 2388 100.00 100.00 7.63e-73 . . . . 11126 1 4 no DBJ BAA32700 . "beta-spectrin III [Homo sapiens]" . . . . . 89.76 2390 100.00 100.00 5.44e-73 . . . . 11126 1 5 no DBJ BAE28063 . "unnamed protein product [Mus musculus]" . . . . . 89.76 2388 100.00 100.00 7.93e-73 . . . . 11126 1 6 no DBJ BAG73753 . "spectrin, beta, non-erythrocytic 2 [synthetic construct]" . . . . . 89.76 2390 100.00 100.00 5.44e-73 . . . . 11126 1 7 no GB AAG28596 . "spectrin-like protein GTRAP41 [Rattus norvegicus]" . . . . . 89.76 2388 100.00 100.00 7.63e-73 . . . . 11126 1 8 no GB AAH79860 . "Spectrin beta 3 [Mus musculus]" . . . . . 89.76 2388 100.00 100.00 7.93e-73 . . . . 11126 1 9 no GB AAI39789 . "SPTBN2 protein [Homo sapiens]" . . . . . 89.76 934 100.00 100.00 9.33e-74 . . . . 11126 1 10 no GB AAI72438 . "Spectrin, beta, non-erythrocytic 2 [synthetic construct]" . . . . . 89.76 2390 100.00 100.00 5.44e-73 . . . . 11126 1 11 no GB EAW74559 . "spectrin, beta, non-erythrocytic 2, isoform CRA_a [Homo sapiens]" . . . . . 89.76 1270 100.00 100.00 7.04e-74 . . . . 11126 1 12 no REF NP_008877 . "spectrin beta chain, non-erythrocytic 2 [Homo sapiens]" . . . . . 89.76 2390 100.00 100.00 5.44e-73 . . . . 11126 1 13 no REF NP_062040 . "spectrin beta chain, non-erythrocytic 2 [Rattus norvegicus]" . . . . . 89.76 2388 100.00 100.00 7.48e-73 . . . . 11126 1 14 no REF NP_067262 . "spectrin beta chain, non-erythrocytic 2 [Mus musculus]" . . . . . 89.76 2388 100.00 100.00 7.93e-73 . . . . 11126 1 15 no REF XP_001108262 . "PREDICTED: spectrin beta chain, brain 2 [Macaca mulatta]" . . . . . 89.76 2397 100.00 100.00 6.43e-73 . . . . 11126 1 16 no REF XP_002699440 . "PREDICTED: spectrin beta chain, non-erythrocytic 2 [Bos taurus]" . . . . . 89.76 619 99.12 100.00 2.32e-74 . . . . 11126 1 17 no SP O15020 . "RecName: Full=Spectrin beta chain, non-erythrocytic 2; AltName: Full=Beta-III spectrin; AltName: Full=Spinocerebellar ataxia 5 " . . . . . 89.76 2390 100.00 100.00 6.05e-73 . . . . 11126 1 18 no SP Q9QWN8 . "RecName: Full=Spectrin beta chain, non-erythrocytic 2; AltName: Full=Beta SpIII sigma 1; AltName: Full=Beta-III spectrin; AltNa" . . . . . 89.76 2388 100.00 100.00 7.63e-73 . . . . 11126 1 19 no TPG DAA13667 . "TPA: spectrin, beta, non-erythrocytic 2-like [Bos taurus]" . . . . . 89.76 1068 99.12 100.00 5.01e-73 . . . . 11126 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CH domain' . 11126 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 . 11126 1 2 . SER . 11126 1 3 . SER . 11126 1 4 . GLY . 11126 1 5 . SER . 11126 1 6 . SER . 11126 1 7 . GLY . 11126 1 8 . ALA . 11126 1 9 . LYS . 11126 1 10 . ASP . 11126 1 11 . ALA . 11126 1 12 . LEU . 11126 1 13 . LEU . 11126 1 14 . LEU . 11126 1 15 . TRP . 11126 1 16 . CYS . 11126 1 17 . GLN . 11126 1 18 . MET . 11126 1 19 . LYS . 11126 1 20 . THR . 11126 1 21 . ALA . 11126 1 22 . GLY . 11126 1 23 . TYR . 11126 1 24 . PRO . 11126 1 25 . ASN . 11126 1 26 . VAL . 11126 1 27 . ASN . 11126 1 28 . VAL . 11126 1 29 . HIS . 11126 1 30 . ASN . 11126 1 31 . PHE . 11126 1 32 . THR . 11126 1 33 . THR . 11126 1 34 . SER . 11126 1 35 . TRP . 11126 1 36 . ARG . 11126 1 37 . ASP . 11126 1 38 . GLY . 11126 1 39 . LEU . 11126 1 40 . ALA . 11126 1 41 . PHE . 11126 1 42 . ASN . 11126 1 43 . ALA . 11126 1 44 . ILE . 11126 1 45 . VAL . 11126 1 46 . HIS . 11126 1 47 . LYS . 11126 1 48 . HIS . 11126 1 49 . ARG . 11126 1 50 . PRO . 11126 1 51 . ASP . 11126 1 52 . LEU . 11126 1 53 . LEU . 11126 1 54 . ASP . 11126 1 55 . PHE . 11126 1 56 . GLU . 11126 1 57 . SER . 11126 1 58 . LEU . 11126 1 59 . LYS . 11126 1 60 . LYS . 11126 1 61 . CYS . 11126 1 62 . ASN . 11126 1 63 . ALA . 11126 1 64 . HIS . 11126 1 65 . TYR . 11126 1 66 . ASN . 11126 1 67 . LEU . 11126 1 68 . GLN . 11126 1 69 . ASN . 11126 1 70 . ALA . 11126 1 71 . PHE . 11126 1 72 . ASN . 11126 1 73 . LEU . 11126 1 74 . ALA . 11126 1 75 . GLU . 11126 1 76 . LYS . 11126 1 77 . GLU . 11126 1 78 . LEU . 11126 1 79 . GLY . 11126 1 80 . LEU . 11126 1 81 . THR . 11126 1 82 . LYS . 11126 1 83 . LEU . 11126 1 84 . LEU . 11126 1 85 . ASP . 11126 1 86 . PRO . 11126 1 87 . GLU . 11126 1 88 . ASP . 11126 1 89 . VAL . 11126 1 90 . ASN . 11126 1 91 . VAL . 11126 1 92 . ASP . 11126 1 93 . GLN . 11126 1 94 . PRO . 11126 1 95 . ASP . 11126 1 96 . GLU . 11126 1 97 . LYS . 11126 1 98 . SER . 11126 1 99 . ILE . 11126 1 100 . ILE . 11126 1 101 . THR . 11126 1 102 . TYR . 11126 1 103 . VAL . 11126 1 104 . ALA . 11126 1 105 . THR . 11126 1 106 . TYR . 11126 1 107 . TYR . 11126 1 108 . HIS . 11126 1 109 . TYR . 11126 1 110 . PHE . 11126 1 111 . SER . 11126 1 112 . LYS . 11126 1 113 . MET . 11126 1 114 . LYS . 11126 1 115 . ALA . 11126 1 116 . LEU . 11126 1 117 . ALA . 11126 1 118 . VAL . 11126 1 119 . GLU . 11126 1 120 . GLY . 11126 1 121 . LYS . 11126 1 122 . SER . 11126 1 123 . GLY . 11126 1 124 . PRO . 11126 1 125 . SER . 11126 1 126 . SER . 11126 1 127 . GLY . 11126 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 11126 1 . SER 2 2 11126 1 . SER 3 3 11126 1 . GLY 4 4 11126 1 . SER 5 5 11126 1 . SER 6 6 11126 1 . GLY 7 7 11126 1 . ALA 8 8 11126 1 . LYS 9 9 11126 1 . ASP 10 10 11126 1 . ALA 11 11 11126 1 . LEU 12 12 11126 1 . LEU 13 13 11126 1 . LEU 14 14 11126 1 . TRP 15 15 11126 1 . CYS 16 16 11126 1 . GLN 17 17 11126 1 . MET 18 18 11126 1 . LYS 19 19 11126 1 . THR 20 20 11126 1 . ALA 21 21 11126 1 . GLY 22 22 11126 1 . TYR 23 23 11126 1 . PRO 24 24 11126 1 . ASN 25 25 11126 1 . VAL 26 26 11126 1 . ASN 27 27 11126 1 . VAL 28 28 11126 1 . HIS 29 29 11126 1 . ASN 30 30 11126 1 . PHE 31 31 11126 1 . THR 32 32 11126 1 . THR 33 33 11126 1 . SER 34 34 11126 1 . TRP 35 35 11126 1 . ARG 36 36 11126 1 . ASP 37 37 11126 1 . GLY 38 38 11126 1 . LEU 39 39 11126 1 . ALA 40 40 11126 1 . PHE 41 41 11126 1 . ASN 42 42 11126 1 . ALA 43 43 11126 1 . ILE 44 44 11126 1 . VAL 45 45 11126 1 . HIS 46 46 11126 1 . LYS 47 47 11126 1 . HIS 48 48 11126 1 . ARG 49 49 11126 1 . PRO 50 50 11126 1 . ASP 51 51 11126 1 . LEU 52 52 11126 1 . LEU 53 53 11126 1 . ASP 54 54 11126 1 . PHE 55 55 11126 1 . GLU 56 56 11126 1 . SER 57 57 11126 1 . LEU 58 58 11126 1 . LYS 59 59 11126 1 . LYS 60 60 11126 1 . CYS 61 61 11126 1 . ASN 62 62 11126 1 . ALA 63 63 11126 1 . HIS 64 64 11126 1 . TYR 65 65 11126 1 . ASN 66 66 11126 1 . LEU 67 67 11126 1 . GLN 68 68 11126 1 . ASN 69 69 11126 1 . ALA 70 70 11126 1 . PHE 71 71 11126 1 . ASN 72 72 11126 1 . LEU 73 73 11126 1 . ALA 74 74 11126 1 . GLU 75 75 11126 1 . LYS 76 76 11126 1 . GLU 77 77 11126 1 . LEU 78 78 11126 1 . GLY 79 79 11126 1 . LEU 80 80 11126 1 . THR 81 81 11126 1 . LYS 82 82 11126 1 . LEU 83 83 11126 1 . LEU 84 84 11126 1 . ASP 85 85 11126 1 . PRO 86 86 11126 1 . GLU 87 87 11126 1 . ASP 88 88 11126 1 . VAL 89 89 11126 1 . ASN 90 90 11126 1 . VAL 91 91 11126 1 . ASP 92 92 11126 1 . GLN 93 93 11126 1 . PRO 94 94 11126 1 . ASP 95 95 11126 1 . GLU 96 96 11126 1 . LYS 97 97 11126 1 . SER 98 98 11126 1 . ILE 99 99 11126 1 . ILE 100 100 11126 1 . THR 101 101 11126 1 . TYR 102 102 11126 1 . VAL 103 103 11126 1 . ALA 104 104 11126 1 . THR 105 105 11126 1 . TYR 106 106 11126 1 . TYR 107 107 11126 1 . HIS 108 108 11126 1 . TYR 109 109 11126 1 . PHE 110 110 11126 1 . SER 111 111 11126 1 . LYS 112 112 11126 1 . MET 113 113 11126 1 . LYS 114 114 11126 1 . ALA 115 115 11126 1 . LEU 116 116 11126 1 . ALA 117 117 11126 1 . VAL 118 118 11126 1 . GLU 119 119 11126 1 . GLY 120 120 11126 1 . LYS 121 121 11126 1 . SER 122 122 11126 1 . GLY 123 123 11126 1 . PRO 124 124 11126 1 . SER 125 125 11126 1 . SER 126 126 11126 1 . GLY 127 127 11126 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 11126 _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 . . . . . . . . . . . . . . . . . . . . . 11126 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 11126 _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' . . 562 Escherichia coli . . . . . . . . . . . . . . . . P040705-11 . . . . . . 11126 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11126 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.20mM CH domain {U-15N,13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _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 'CH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.20 . . mM . . . . 11126 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11126 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11126 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11126 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11126 1 6 H2O . . . . . . solvent 90 . . % . . . . 11126 1 7 D2O . . . . . . solvent 10 . . % . . . . 11126 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 11126 _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 11126 1 pH 7.0 0.05 pH 11126 1 pressure 1 0.001 atm 11126 1 temperature 296 0.1 K 11126 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11126 _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 . . 11126 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11126 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11126 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11126 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11126 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11126 _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.' . . 11126 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11126 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11126 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11126 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11126 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11126 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11126 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11126 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 11126 _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 11126 _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 . . . 11126 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 11126 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11126 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11126 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 11126 _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 . . . . . . . . . 11126 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11126 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11126 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 11126 _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 15N-separated NOESY' 1 $sample_1 isotropic 11126 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11126 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 . . 11126 1 2 $NMRPipe . . 11126 1 3 $NMRview . . 11126 1 4 $Kujira . . 11126 1 5 $CYANA . . 11126 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 8 8 ALA HA H 1 4.114 0.030 . 1 . . . . 8 ALA HA . 11126 1 2 . 1 1 8 8 ALA HB1 H 1 1.310 0.030 . 1 . . . . 8 ALA HB . 11126 1 3 . 1 1 8 8 ALA HB2 H 1 1.310 0.030 . 1 . . . . 8 ALA HB . 11126 1 4 . 1 1 8 8 ALA HB3 H 1 1.310 0.030 . 1 . . . . 8 ALA HB . 11126 1 5 . 1 1 8 8 ALA C C 13 177.184 0.300 . 1 . . . . 8 ALA C . 11126 1 6 . 1 1 8 8 ALA CA C 13 51.901 0.300 . 1 . . . . 8 ALA CA . 11126 1 7 . 1 1 8 8 ALA CB C 13 16.268 0.300 . 1 . . . . 8 ALA CB . 11126 1 8 . 1 1 9 9 LYS H H 1 8.112 0.030 . 1 . . . . 9 LYS H . 11126 1 9 . 1 1 9 9 LYS HA H 1 3.801 0.030 . 1 . . . . 9 LYS HA . 11126 1 10 . 1 1 9 9 LYS HB2 H 1 1.815 0.030 . 1 . . . . 9 LYS HB2 . 11126 1 11 . 1 1 9 9 LYS HB3 H 1 1.815 0.030 . 1 . . . . 9 LYS HB3 . 11126 1 12 . 1 1 9 9 LYS HD2 H 1 1.643 0.030 . 1 . . . . 9 LYS HD2 . 11126 1 13 . 1 1 9 9 LYS HD3 H 1 1.643 0.030 . 1 . . . . 9 LYS HD3 . 11126 1 14 . 1 1 9 9 LYS HE2 H 1 2.936 0.030 . 1 . . . . 9 LYS HE2 . 11126 1 15 . 1 1 9 9 LYS HE3 H 1 2.936 0.030 . 1 . . . . 9 LYS HE3 . 11126 1 16 . 1 1 9 9 LYS HG2 H 1 1.382 0.030 . 1 . . . . 9 LYS HG2 . 11126 1 17 . 1 1 9 9 LYS HG3 H 1 1.382 0.030 . 1 . . . . 9 LYS HG3 . 11126 1 18 . 1 1 9 9 LYS C C 13 175.298 0.300 . 1 . . . . 9 LYS C . 11126 1 19 . 1 1 9 9 LYS CA C 13 57.428 0.300 . 1 . . . . 9 LYS CA . 11126 1 20 . 1 1 9 9 LYS CB C 13 30.029 0.300 . 1 . . . . 9 LYS CB . 11126 1 21 . 1 1 9 9 LYS CD C 13 27.529 0.300 . 1 . . . . 9 LYS CD . 11126 1 22 . 1 1 9 9 LYS CE C 13 39.743 0.300 . 1 . . . . 9 LYS CE . 11126 1 23 . 1 1 9 9 LYS CG C 13 22.866 0.300 . 1 . . . . 9 LYS CG . 11126 1 24 . 1 1 9 9 LYS N N 15 120.250 0.300 . 1 . . . . 9 LYS N . 11126 1 25 . 1 1 10 10 ASP H H 1 8.099 0.030 . 1 . . . . 10 ASP H . 11126 1 26 . 1 1 10 10 ASP HA H 1 4.352 0.030 . 1 . . . . 10 ASP HA . 11126 1 27 . 1 1 10 10 ASP HB2 H 1 2.633 0.030 . 1 . . . . 10 ASP HB2 . 11126 1 28 . 1 1 10 10 ASP HB3 H 1 2.633 0.030 . 1 . . . . 10 ASP HB3 . 11126 1 29 . 1 1 10 10 ASP C C 13 176.483 0.300 . 1 . . . . 10 ASP C . 11126 1 30 . 1 1 10 10 ASP CA C 13 54.607 0.300 . 1 . . . . 10 ASP CA . 11126 1 31 . 1 1 10 10 ASP CB C 13 37.927 0.300 . 1 . . . . 10 ASP CB . 11126 1 32 . 1 1 10 10 ASP N N 15 118.977 0.300 . 1 . . . . 10 ASP N . 11126 1 33 . 1 1 11 11 ALA H H 1 7.956 0.030 . 1 . . . . 11 ALA H . 11126 1 34 . 1 1 11 11 ALA HA H 1 4.093 0.030 . 1 . . . . 11 ALA HA . 11126 1 35 . 1 1 11 11 ALA HB1 H 1 1.350 0.030 . 1 . . . . 11 ALA HB . 11126 1 36 . 1 1 11 11 ALA HB2 H 1 1.350 0.030 . 1 . . . . 11 ALA HB . 11126 1 37 . 1 1 11 11 ALA HB3 H 1 1.350 0.030 . 1 . . . . 11 ALA HB . 11126 1 38 . 1 1 11 11 ALA C C 13 178.115 0.300 . 1 . . . . 11 ALA C . 11126 1 39 . 1 1 11 11 ALA CA C 13 52.701 0.300 . 1 . . . . 11 ALA CA . 11126 1 40 . 1 1 11 11 ALA CB C 13 15.730 0.300 . 1 . . . . 11 ALA CB . 11126 1 41 . 1 1 11 11 ALA N N 15 122.806 0.300 . 1 . . . . 11 ALA N . 11126 1 42 . 1 1 12 12 LEU H H 1 7.945 0.030 . 1 . . . . 12 LEU H . 11126 1 43 . 1 1 12 12 LEU HA H 1 4.025 0.030 . 1 . . . . 12 LEU HA . 11126 1 44 . 1 1 12 12 LEU HB2 H 1 1.327 0.030 . 2 . . . . 12 LEU HB2 . 11126 1 45 . 1 1 12 12 LEU HB3 H 1 1.934 0.030 . 2 . . . . 12 LEU HB3 . 11126 1 46 . 1 1 12 12 LEU HD11 H 1 0.536 0.030 . 1 . . . . 12 LEU HD1 . 11126 1 47 . 1 1 12 12 LEU HD12 H 1 0.536 0.030 . 1 . . . . 12 LEU HD1 . 11126 1 48 . 1 1 12 12 LEU HD13 H 1 0.536 0.030 . 1 . . . . 12 LEU HD1 . 11126 1 49 . 1 1 12 12 LEU HD21 H 1 0.424 0.030 . 1 . . . . 12 LEU HD2 . 11126 1 50 . 1 1 12 12 LEU HD22 H 1 0.424 0.030 . 1 . . . . 12 LEU HD2 . 11126 1 51 . 1 1 12 12 LEU HD23 H 1 0.424 0.030 . 1 . . . . 12 LEU HD2 . 11126 1 52 . 1 1 12 12 LEU HG H 1 1.561 0.030 . 1 . . . . 12 LEU HG . 11126 1 53 . 1 1 12 12 LEU C C 13 177.087 0.300 . 1 . . . . 12 LEU C . 11126 1 54 . 1 1 12 12 LEU CA C 13 55.036 0.300 . 1 . . . . 12 LEU CA . 11126 1 55 . 1 1 12 12 LEU CB C 13 39.213 0.300 . 1 . . . . 12 LEU CB . 11126 1 56 . 1 1 12 12 LEU CD1 C 13 21.197 0.300 . 2 . . . . 12 LEU CD1 . 11126 1 57 . 1 1 12 12 LEU CD2 C 13 23.609 0.300 . 2 . . . . 12 LEU CD2 . 11126 1 58 . 1 1 12 12 LEU CG C 13 24.649 0.300 . 1 . . . . 12 LEU CG . 11126 1 59 . 1 1 12 12 LEU N N 15 120.920 0.300 . 1 . . . . 12 LEU N . 11126 1 60 . 1 1 13 13 LEU H H 1 8.609 0.030 . 1 . . . . 13 LEU H . 11126 1 61 . 1 1 13 13 LEU HA H 1 3.873 0.030 . 1 . . . . 13 LEU HA . 11126 1 62 . 1 1 13 13 LEU HB2 H 1 1.899 0.030 . 2 . . . . 13 LEU HB2 . 11126 1 63 . 1 1 13 13 LEU HB3 H 1 1.586 0.030 . 2 . . . . 13 LEU HB3 . 11126 1 64 . 1 1 13 13 LEU HD11 H 1 0.032 0.030 . 1 . . . . 13 LEU HD1 . 11126 1 65 . 1 1 13 13 LEU HD12 H 1 0.032 0.030 . 1 . . . . 13 LEU HD1 . 11126 1 66 . 1 1 13 13 LEU HD13 H 1 0.032 0.030 . 1 . . . . 13 LEU HD1 . 11126 1 67 . 1 1 13 13 LEU HD21 H 1 0.599 0.030 . 1 . . . . 13 LEU HD2 . 11126 1 68 . 1 1 13 13 LEU HD22 H 1 0.599 0.030 . 1 . . . . 13 LEU HD2 . 11126 1 69 . 1 1 13 13 LEU HD23 H 1 0.599 0.030 . 1 . . . . 13 LEU HD2 . 11126 1 70 . 1 1 13 13 LEU HG H 1 1.195 0.030 . 1 . . . . 13 LEU HG . 11126 1 71 . 1 1 13 13 LEU C C 13 176.257 0.300 . 1 . . . . 13 LEU C . 11126 1 72 . 1 1 13 13 LEU CA C 13 56.530 0.300 . 1 . . . . 13 LEU CA . 11126 1 73 . 1 1 13 13 LEU CB C 13 38.548 0.300 . 1 . . . . 13 LEU CB . 11126 1 74 . 1 1 13 13 LEU CD1 C 13 20.384 0.300 . 2 . . . . 13 LEU CD1 . 11126 1 75 . 1 1 13 13 LEU CD2 C 13 23.456 0.300 . 2 . . . . 13 LEU CD2 . 11126 1 76 . 1 1 13 13 LEU CG C 13 24.144 0.300 . 1 . . . . 13 LEU CG . 11126 1 77 . 1 1 13 13 LEU N N 15 122.231 0.300 . 1 . . . . 13 LEU N . 11126 1 78 . 1 1 14 14 LEU H H 1 7.815 0.030 . 1 . . . . 14 LEU H . 11126 1 79 . 1 1 14 14 LEU HA H 1 4.196 0.030 . 1 . . . . 14 LEU HA . 11126 1 80 . 1 1 14 14 LEU HB2 H 1 1.765 0.030 . 2 . . . . 14 LEU HB2 . 11126 1 81 . 1 1 14 14 LEU HB3 H 1 1.681 0.030 . 2 . . . . 14 LEU HB3 . 11126 1 82 . 1 1 14 14 LEU HD11 H 1 0.930 0.030 . 1 . . . . 14 LEU HD1 . 11126 1 83 . 1 1 14 14 LEU HD12 H 1 0.930 0.030 . 1 . . . . 14 LEU HD1 . 11126 1 84 . 1 1 14 14 LEU HD13 H 1 0.930 0.030 . 1 . . . . 14 LEU HD1 . 11126 1 85 . 1 1 14 14 LEU HD21 H 1 0.909 0.030 . 1 . . . . 14 LEU HD2 . 11126 1 86 . 1 1 14 14 LEU HD22 H 1 0.909 0.030 . 1 . . . . 14 LEU HD2 . 11126 1 87 . 1 1 14 14 LEU HD23 H 1 0.909 0.030 . 1 . . . . 14 LEU HD2 . 11126 1 88 . 1 1 14 14 LEU HG H 1 1.664 0.030 . 1 . . . . 14 LEU HG . 11126 1 89 . 1 1 14 14 LEU C C 13 176.948 0.300 . 1 . . . . 14 LEU C . 11126 1 90 . 1 1 14 14 LEU CA C 13 55.600 0.300 . 1 . . . . 14 LEU CA . 11126 1 91 . 1 1 14 14 LEU CB C 13 39.436 0.300 . 1 . . . . 14 LEU CB . 11126 1 92 . 1 1 14 14 LEU CD1 C 13 21.643 0.300 . 2 . . . . 14 LEU CD1 . 11126 1 93 . 1 1 14 14 LEU CD2 C 13 22.381 0.300 . 2 . . . . 14 LEU CD2 . 11126 1 94 . 1 1 14 14 LEU CG C 13 24.838 0.300 . 1 . . . . 14 LEU CG . 11126 1 95 . 1 1 14 14 LEU N N 15 118.505 0.300 . 1 . . . . 14 LEU N . 11126 1 96 . 1 1 15 15 TRP H H 1 8.159 0.030 . 1 . . . . 15 TRP H . 11126 1 97 . 1 1 15 15 TRP HA H 1 4.208 0.030 . 1 . . . . 15 TRP HA . 11126 1 98 . 1 1 15 15 TRP HB2 H 1 3.360 0.030 . 2 . . . . 15 TRP HB2 . 11126 1 99 . 1 1 15 15 TRP HB3 H 1 3.663 0.030 . 2 . . . . 15 TRP HB3 . 11126 1 100 . 1 1 15 15 TRP HD1 H 1 7.580 0.030 . 1 . . . . 15 TRP HD1 . 11126 1 101 . 1 1 15 15 TRP HE1 H 1 10.688 0.030 . 1 . . . . 15 TRP HE1 . 11126 1 102 . 1 1 15 15 TRP HE3 H 1 8.068 0.030 . 1 . . . . 15 TRP HE3 . 11126 1 103 . 1 1 15 15 TRP HH2 H 1 7.058 0.030 . 1 . . . . 15 TRP HH2 . 11126 1 104 . 1 1 15 15 TRP HZ2 H 1 7.399 0.030 . 1 . . . . 15 TRP HZ2 . 11126 1 105 . 1 1 15 15 TRP HZ3 H 1 7.155 0.030 . 1 . . . . 15 TRP HZ3 . 11126 1 106 . 1 1 15 15 TRP C C 13 175.945 0.300 . 1 . . . . 15 TRP C . 11126 1 107 . 1 1 15 15 TRP CA C 13 60.595 0.300 . 1 . . . . 15 TRP CA . 11126 1 108 . 1 1 15 15 TRP CB C 13 26.236 0.300 . 1 . . . . 15 TRP CB . 11126 1 109 . 1 1 15 15 TRP CD1 C 13 126.050 0.300 . 1 . . . . 15 TRP CD1 . 11126 1 110 . 1 1 15 15 TRP CE3 C 13 120.294 0.300 . 1 . . . . 15 TRP CE3 . 11126 1 111 . 1 1 15 15 TRP CH2 C 13 120.736 0.300 . 1 . . . . 15 TRP CH2 . 11126 1 112 . 1 1 15 15 TRP CZ2 C 13 111.540 0.300 . 1 . . . . 15 TRP CZ2 . 11126 1 113 . 1 1 15 15 TRP CZ3 C 13 118.285 0.300 . 1 . . . . 15 TRP CZ3 . 11126 1 114 . 1 1 15 15 TRP N N 15 120.322 0.300 . 1 . . . . 15 TRP N . 11126 1 115 . 1 1 15 15 TRP NE1 N 15 130.848 0.300 . 1 . . . . 15 TRP NE1 . 11126 1 116 . 1 1 16 16 CYS H H 1 8.659 0.030 . 1 . . . . 16 CYS H . 11126 1 117 . 1 1 16 16 CYS HA H 1 3.774 0.030 . 1 . . . . 16 CYS HA . 11126 1 118 . 1 1 16 16 CYS HB2 H 1 2.532 0.030 . 2 . . . . 16 CYS HB2 . 11126 1 119 . 1 1 16 16 CYS HB3 H 1 3.546 0.030 . 2 . . . . 16 CYS HB3 . 11126 1 120 . 1 1 16 16 CYS C C 13 176.247 0.300 . 1 . . . . 16 CYS C . 11126 1 121 . 1 1 16 16 CYS CA C 13 62.330 0.300 . 1 . . . . 16 CYS CA . 11126 1 122 . 1 1 16 16 CYS CB C 13 25.506 0.300 . 1 . . . . 16 CYS CB . 11126 1 123 . 1 1 16 16 CYS N N 15 115.322 0.300 . 1 . . . . 16 CYS N . 11126 1 124 . 1 1 17 17 GLN H H 1 8.612 0.030 . 1 . . . . 17 GLN H . 11126 1 125 . 1 1 17 17 GLN HA H 1 3.587 0.030 . 1 . . . . 17 GLN HA . 11126 1 126 . 1 1 17 17 GLN HB2 H 1 1.788 0.030 . 2 . . . . 17 GLN HB2 . 11126 1 127 . 1 1 17 17 GLN HB3 H 1 2.401 0.030 . 2 . . . . 17 GLN HB3 . 11126 1 128 . 1 1 17 17 GLN HE21 H 1 7.383 0.030 . 2 . . . . 17 GLN HE21 . 11126 1 129 . 1 1 17 17 GLN HE22 H 1 6.645 0.030 . 2 . . . . 17 GLN HE22 . 11126 1 130 . 1 1 17 17 GLN HG2 H 1 2.407 0.030 . 2 . . . . 17 GLN HG2 . 11126 1 131 . 1 1 17 17 GLN HG3 H 1 2.464 0.030 . 2 . . . . 17 GLN HG3 . 11126 1 132 . 1 1 17 17 GLN C C 13 175.868 0.300 . 1 . . . . 17 GLN C . 11126 1 133 . 1 1 17 17 GLN CA C 13 57.163 0.300 . 1 . . . . 17 GLN CA . 11126 1 134 . 1 1 17 17 GLN CB C 13 25.252 0.300 . 1 . . . . 17 GLN CB . 11126 1 135 . 1 1 17 17 GLN CG C 13 31.741 0.300 . 1 . . . . 17 GLN CG . 11126 1 136 . 1 1 17 17 GLN N N 15 120.766 0.300 . 1 . . . . 17 GLN N . 11126 1 137 . 1 1 17 17 GLN NE2 N 15 108.352 0.300 . 1 . . . . 17 GLN NE2 . 11126 1 138 . 1 1 18 18 MET H H 1 8.535 0.030 . 1 . . . . 18 MET H . 11126 1 139 . 1 1 18 18 MET HA H 1 4.066 0.030 . 1 . . . . 18 MET HA . 11126 1 140 . 1 1 18 18 MET HB2 H 1 2.131 0.030 . 2 . . . . 18 MET HB2 . 11126 1 141 . 1 1 18 18 MET HB3 H 1 1.994 0.030 . 2 . . . . 18 MET HB3 . 11126 1 142 . 1 1 18 18 MET HE1 H 1 2.051 0.030 . 1 . . . . 18 MET HE . 11126 1 143 . 1 1 18 18 MET HE2 H 1 2.051 0.030 . 1 . . . . 18 MET HE . 11126 1 144 . 1 1 18 18 MET HE3 H 1 2.051 0.030 . 1 . . . . 18 MET HE . 11126 1 145 . 1 1 18 18 MET HG2 H 1 2.478 0.030 . 2 . . . . 18 MET HG2 . 11126 1 146 . 1 1 18 18 MET HG3 H 1 2.702 0.030 . 2 . . . . 18 MET HG3 . 11126 1 147 . 1 1 18 18 MET C C 13 177.568 0.300 . 1 . . . . 18 MET C . 11126 1 148 . 1 1 18 18 MET CA C 13 56.336 0.300 . 1 . . . . 18 MET CA . 11126 1 149 . 1 1 18 18 MET CB C 13 30.144 0.300 . 1 . . . . 18 MET CB . 11126 1 150 . 1 1 18 18 MET CE C 13 14.713 0.300 . 1 . . . . 18 MET CE . 11126 1 151 . 1 1 18 18 MET CG C 13 29.596 0.300 . 1 . . . . 18 MET CG . 11126 1 152 . 1 1 18 18 MET N N 15 119.011 0.300 . 1 . . . . 18 MET N . 11126 1 153 . 1 1 19 19 LYS H H 1 8.074 0.030 . 1 . . . . 19 LYS H . 11126 1 154 . 1 1 19 19 LYS HA H 1 3.827 0.030 . 1 . . . . 19 LYS HA . 11126 1 155 . 1 1 19 19 LYS HB2 H 1 1.246 0.030 . 2 . . . . 19 LYS HB2 . 11126 1 156 . 1 1 19 19 LYS HB3 H 1 1.165 0.030 . 2 . . . . 19 LYS HB3 . 11126 1 157 . 1 1 19 19 LYS HD2 H 1 0.982 0.030 . 2 . . . . 19 LYS HD2 . 11126 1 158 . 1 1 19 19 LYS HD3 H 1 1.182 0.030 . 2 . . . . 19 LYS HD3 . 11126 1 159 . 1 1 19 19 LYS HE2 H 1 2.497 0.030 . 2 . . . . 19 LYS HE2 . 11126 1 160 . 1 1 19 19 LYS HE3 H 1 2.815 0.030 . 2 . . . . 19 LYS HE3 . 11126 1 161 . 1 1 19 19 LYS HG2 H 1 0.589 0.030 . 2 . . . . 19 LYS HG2 . 11126 1 162 . 1 1 19 19 LYS HG3 H 1 -0.185 0.030 . 2 . . . . 19 LYS HG3 . 11126 1 163 . 1 1 19 19 LYS C C 13 173.954 0.300 . 1 . . . . 19 LYS C . 11126 1 164 . 1 1 19 19 LYS CA C 13 53.537 0.300 . 1 . . . . 19 LYS CA . 11126 1 165 . 1 1 19 19 LYS CB C 13 29.476 0.300 . 1 . . . . 19 LYS CB . 11126 1 166 . 1 1 19 19 LYS CD C 13 24.811 0.300 . 1 . . . . 19 LYS CD . 11126 1 167 . 1 1 19 19 LYS CE C 13 39.685 0.300 . 1 . . . . 19 LYS CE . 11126 1 168 . 1 1 19 19 LYS CG C 13 20.102 0.300 . 1 . . . . 19 LYS CG . 11126 1 169 . 1 1 19 19 LYS N N 15 114.796 0.300 . 1 . . . . 19 LYS N . 11126 1 170 . 1 1 20 20 THR H H 1 6.964 0.030 . 1 . . . . 20 THR H . 11126 1 171 . 1 1 20 20 THR HA H 1 4.117 0.030 . 1 . . . . 20 THR HA . 11126 1 172 . 1 1 20 20 THR HB H 1 4.115 0.030 . 1 . . . . 20 THR HB . 11126 1 173 . 1 1 20 20 THR HG21 H 1 0.759 0.030 . 1 . . . . 20 THR HG2 . 11126 1 174 . 1 1 20 20 THR HG22 H 1 0.759 0.030 . 1 . . . . 20 THR HG2 . 11126 1 175 . 1 1 20 20 THR HG23 H 1 0.759 0.030 . 1 . . . . 20 THR HG2 . 11126 1 176 . 1 1 20 20 THR C C 13 172.457 0.300 . 1 . . . . 20 THR C . 11126 1 177 . 1 1 20 20 THR CA C 13 58.743 0.300 . 1 . . . . 20 THR CA . 11126 1 178 . 1 1 20 20 THR CB C 13 67.172 0.300 . 1 . . . . 20 THR CB . 11126 1 179 . 1 1 20 20 THR CG2 C 13 19.559 0.300 . 1 . . . . 20 THR CG2 . 11126 1 180 . 1 1 20 20 THR N N 15 101.825 0.300 . 1 . . . . 20 THR N . 11126 1 181 . 1 1 21 21 ALA H H 1 6.920 0.030 . 1 . . . . 21 ALA H . 11126 1 182 . 1 1 21 21 ALA HA H 1 4.067 0.030 . 1 . . . . 21 ALA HA . 11126 1 183 . 1 1 21 21 ALA HB1 H 1 1.329 0.030 . 1 . . . . 21 ALA HB . 11126 1 184 . 1 1 21 21 ALA HB2 H 1 1.329 0.030 . 1 . . . . 21 ALA HB . 11126 1 185 . 1 1 21 21 ALA HB3 H 1 1.329 0.030 . 1 . . . . 21 ALA HB . 11126 1 186 . 1 1 21 21 ALA C C 13 176.479 0.300 . 1 . . . . 21 ALA C . 11126 1 187 . 1 1 21 21 ALA CA C 13 51.767 0.300 . 1 . . . . 21 ALA CA . 11126 1 188 . 1 1 21 21 ALA CB C 13 15.937 0.300 . 1 . . . . 21 ALA CB . 11126 1 189 . 1 1 21 21 ALA N N 15 126.942 0.300 . 1 . . . . 21 ALA N . 11126 1 190 . 1 1 22 22 GLY H H 1 8.724 0.030 . 1 . . . . 22 GLY H . 11126 1 191 . 1 1 22 22 GLY HA2 H 1 3.850 0.030 . 2 . . . . 22 GLY HA2 . 11126 1 192 . 1 1 22 22 GLY HA3 H 1 3.558 0.030 . 2 . . . . 22 GLY HA3 . 11126 1 193 . 1 1 22 22 GLY C C 13 171.987 0.300 . 1 . . . . 22 GLY C . 11126 1 194 . 1 1 22 22 GLY CA C 13 42.872 0.300 . 1 . . . . 22 GLY CA . 11126 1 195 . 1 1 22 22 GLY N N 15 109.707 0.300 . 1 . . . . 22 GLY N . 11126 1 196 . 1 1 23 23 TYR H H 1 7.566 0.030 . 1 . . . . 23 TYR H . 11126 1 197 . 1 1 23 23 TYR HA H 1 4.276 0.030 . 1 . . . . 23 TYR HA . 11126 1 198 . 1 1 23 23 TYR HB2 H 1 2.678 0.030 . 2 . . . . 23 TYR HB2 . 11126 1 199 . 1 1 23 23 TYR HB3 H 1 2.123 0.030 . 2 . . . . 23 TYR HB3 . 11126 1 200 . 1 1 23 23 TYR HD1 H 1 5.901 0.030 . 1 . . . . 23 TYR HD1 . 11126 1 201 . 1 1 23 23 TYR HD2 H 1 5.901 0.030 . 1 . . . . 23 TYR HD2 . 11126 1 202 . 1 1 23 23 TYR HE1 H 1 6.284 0.030 . 1 . . . . 23 TYR HE1 . 11126 1 203 . 1 1 23 23 TYR HE2 H 1 6.284 0.030 . 1 . . . . 23 TYR HE2 . 11126 1 204 . 1 1 23 23 TYR C C 13 172.083 0.300 . 1 . . . . 23 TYR C . 11126 1 205 . 1 1 23 23 TYR CA C 13 54.394 0.300 . 1 . . . . 23 TYR CA . 11126 1 206 . 1 1 23 23 TYR CB C 13 34.494 0.300 . 1 . . . . 23 TYR CB . 11126 1 207 . 1 1 23 23 TYR CD1 C 13 129.837 0.300 . 1 . . . . 23 TYR CD1 . 11126 1 208 . 1 1 23 23 TYR CD2 C 13 129.837 0.300 . 1 . . . . 23 TYR CD2 . 11126 1 209 . 1 1 23 23 TYR CE1 C 13 115.274 0.300 . 1 . . . . 23 TYR CE1 . 11126 1 210 . 1 1 23 23 TYR CE2 C 13 115.274 0.300 . 1 . . . . 23 TYR CE2 . 11126 1 211 . 1 1 23 23 TYR N N 15 121.104 0.300 . 1 . . . . 23 TYR N . 11126 1 212 . 1 1 24 24 PRO HA H 1 4.231 0.030 . 1 . . . . 24 PRO HA . 11126 1 213 . 1 1 24 24 PRO HB2 H 1 2.217 0.030 . 2 . . . . 24 PRO HB2 . 11126 1 214 . 1 1 24 24 PRO HB3 H 1 1.946 0.030 . 2 . . . . 24 PRO HB3 . 11126 1 215 . 1 1 24 24 PRO HD2 H 1 3.667 0.030 . 2 . . . . 24 PRO HD2 . 11126 1 216 . 1 1 24 24 PRO HD3 H 1 3.892 0.030 . 2 . . . . 24 PRO HD3 . 11126 1 217 . 1 1 24 24 PRO HG2 H 1 2.158 0.030 . 2 . . . . 24 PRO HG2 . 11126 1 218 . 1 1 24 24 PRO HG3 H 1 1.996 0.030 . 2 . . . . 24 PRO HG3 . 11126 1 219 . 1 1 24 24 PRO C C 13 174.619 0.300 . 1 . . . . 24 PRO C . 11126 1 220 . 1 1 24 24 PRO CA C 13 61.293 0.300 . 1 . . . . 24 PRO CA . 11126 1 221 . 1 1 24 24 PRO CB C 13 29.692 0.300 . 1 . . . . 24 PRO CB . 11126 1 222 . 1 1 24 24 PRO CD C 13 49.024 0.300 . 1 . . . . 24 PRO CD . 11126 1 223 . 1 1 24 24 PRO CG C 13 25.187 0.300 . 1 . . . . 24 PRO CG . 11126 1 224 . 1 1 25 25 ASN H H 1 8.669 0.030 . 1 . . . . 25 ASN H . 11126 1 225 . 1 1 25 25 ASN HA H 1 4.219 0.030 . 1 . . . . 25 ASN HA . 11126 1 226 . 1 1 25 25 ASN HB2 H 1 3.049 0.030 . 2 . . . . 25 ASN HB2 . 11126 1 227 . 1 1 25 25 ASN HB3 H 1 2.703 0.030 . 2 . . . . 25 ASN HB3 . 11126 1 228 . 1 1 25 25 ASN HD21 H 1 6.996 0.030 . 2 . . . . 25 ASN HD21 . 11126 1 229 . 1 1 25 25 ASN HD22 H 1 7.680 0.030 . 2 . . . . 25 ASN HD22 . 11126 1 230 . 1 1 25 25 ASN C C 13 170.851 0.300 . 1 . . . . 25 ASN C . 11126 1 231 . 1 1 25 25 ASN CA C 13 52.093 0.300 . 1 . . . . 25 ASN CA . 11126 1 232 . 1 1 25 25 ASN CB C 13 35.170 0.300 . 1 . . . . 25 ASN CB . 11126 1 233 . 1 1 25 25 ASN N N 15 112.254 0.300 . 1 . . . . 25 ASN N . 11126 1 234 . 1 1 25 25 ASN ND2 N 15 114.840 0.300 . 1 . . . . 25 ASN ND2 . 11126 1 235 . 1 1 26 26 VAL H H 1 7.382 0.030 . 1 . . . . 26 VAL H . 11126 1 236 . 1 1 26 26 VAL HA H 1 3.813 0.030 . 1 . . . . 26 VAL HA . 11126 1 237 . 1 1 26 26 VAL HB H 1 1.839 0.030 . 1 . . . . 26 VAL HB . 11126 1 238 . 1 1 26 26 VAL HG11 H 1 0.597 0.030 . 1 . . . . 26 VAL HG1 . 11126 1 239 . 1 1 26 26 VAL HG12 H 1 0.597 0.030 . 1 . . . . 26 VAL HG1 . 11126 1 240 . 1 1 26 26 VAL HG13 H 1 0.597 0.030 . 1 . . . . 26 VAL HG1 . 11126 1 241 . 1 1 26 26 VAL HG21 H 1 0.687 0.030 . 1 . . . . 26 VAL HG2 . 11126 1 242 . 1 1 26 26 VAL HG22 H 1 0.687 0.030 . 1 . . . . 26 VAL HG2 . 11126 1 243 . 1 1 26 26 VAL HG23 H 1 0.687 0.030 . 1 . . . . 26 VAL HG2 . 11126 1 244 . 1 1 26 26 VAL C C 13 172.198 0.300 . 1 . . . . 26 VAL C . 11126 1 245 . 1 1 26 26 VAL CA C 13 59.560 0.300 . 1 . . . . 26 VAL CA . 11126 1 246 . 1 1 26 26 VAL CB C 13 30.857 0.300 . 1 . . . . 26 VAL CB . 11126 1 247 . 1 1 26 26 VAL CG1 C 13 19.540 0.300 . 2 . . . . 26 VAL CG1 . 11126 1 248 . 1 1 26 26 VAL CG2 C 13 20.798 0.300 . 2 . . . . 26 VAL CG2 . 11126 1 249 . 1 1 26 26 VAL N N 15 118.760 0.300 . 1 . . . . 26 VAL N . 11126 1 250 . 1 1 27 27 ASN H H 1 8.962 0.030 . 1 . . . . 27 ASN H . 11126 1 251 . 1 1 27 27 ASN HA H 1 4.540 0.030 . 1 . . . . 27 ASN HA . 11126 1 252 . 1 1 27 27 ASN HB2 H 1 2.526 0.030 . 1 . . . . 27 ASN HB2 . 11126 1 253 . 1 1 27 27 ASN HB3 H 1 2.526 0.030 . 1 . . . . 27 ASN HB3 . 11126 1 254 . 1 1 27 27 ASN HD21 H 1 7.432 0.030 . 2 . . . . 27 ASN HD21 . 11126 1 255 . 1 1 27 27 ASN HD22 H 1 6.622 0.030 . 2 . . . . 27 ASN HD22 . 11126 1 256 . 1 1 27 27 ASN C C 13 171.254 0.300 . 1 . . . . 27 ASN C . 11126 1 257 . 1 1 27 27 ASN CA C 13 50.488 0.300 . 1 . . . . 27 ASN CA . 11126 1 258 . 1 1 27 27 ASN CB C 13 37.324 0.300 . 1 . . . . 27 ASN CB . 11126 1 259 . 1 1 27 27 ASN N N 15 125.844 0.300 . 1 . . . . 27 ASN N . 11126 1 260 . 1 1 27 27 ASN ND2 N 15 111.413 0.300 . 1 . . . . 27 ASN ND2 . 11126 1 261 . 1 1 28 28 VAL H H 1 9.155 0.030 . 1 . . . . 28 VAL H . 11126 1 262 . 1 1 28 28 VAL HA H 1 3.355 0.030 . 1 . . . . 28 VAL HA . 11126 1 263 . 1 1 28 28 VAL HB H 1 1.519 0.030 . 1 . . . . 28 VAL HB . 11126 1 264 . 1 1 28 28 VAL HG11 H 1 0.528 0.030 . 1 . . . . 28 VAL HG1 . 11126 1 265 . 1 1 28 28 VAL HG12 H 1 0.528 0.030 . 1 . . . . 28 VAL HG1 . 11126 1 266 . 1 1 28 28 VAL HG13 H 1 0.528 0.030 . 1 . . . . 28 VAL HG1 . 11126 1 267 . 1 1 28 28 VAL HG21 H 1 0.004 0.030 . 1 . . . . 28 VAL HG2 . 11126 1 268 . 1 1 28 28 VAL HG22 H 1 0.004 0.030 . 1 . . . . 28 VAL HG2 . 11126 1 269 . 1 1 28 28 VAL HG23 H 1 0.004 0.030 . 1 . . . . 28 VAL HG2 . 11126 1 270 . 1 1 28 28 VAL C C 13 172.251 0.300 . 1 . . . . 28 VAL C . 11126 1 271 . 1 1 28 28 VAL CA C 13 60.727 0.300 . 1 . . . . 28 VAL CA . 11126 1 272 . 1 1 28 28 VAL CB C 13 28.649 0.300 . 1 . . . . 28 VAL CB . 11126 1 273 . 1 1 28 28 VAL CG1 C 13 19.673 0.300 . 2 . . . . 28 VAL CG1 . 11126 1 274 . 1 1 28 28 VAL CG2 C 13 18.816 0.300 . 2 . . . . 28 VAL CG2 . 11126 1 275 . 1 1 28 28 VAL N N 15 124.988 0.300 . 1 . . . . 28 VAL N . 11126 1 276 . 1 1 29 29 HIS HA H 1 4.444 0.030 . 1 . . . . 29 HIS HA . 11126 1 277 . 1 1 29 29 HIS HB2 H 1 3.043 0.030 . 2 . . . . 29 HIS HB2 . 11126 1 278 . 1 1 29 29 HIS HB3 H 1 2.796 0.030 . 2 . . . . 29 HIS HB3 . 11126 1 279 . 1 1 29 29 HIS HD2 H 1 6.706 0.030 . 1 . . . . 29 HIS HD2 . 11126 1 280 . 1 1 29 29 HIS HE1 H 1 7.531 0.030 . 1 . . . . 29 HIS HE1 . 11126 1 281 . 1 1 29 29 HIS C C 13 170.539 0.300 . 1 . . . . 29 HIS C . 11126 1 282 . 1 1 29 29 HIS CA C 13 52.892 0.300 . 1 . . . . 29 HIS CA . 11126 1 283 . 1 1 29 29 HIS CB C 13 28.977 0.300 . 1 . . . . 29 HIS CB . 11126 1 284 . 1 1 29 29 HIS CD2 C 13 119.739 0.300 . 1 . . . . 29 HIS CD2 . 11126 1 285 . 1 1 29 29 HIS CE1 C 13 136.387 0.300 . 1 . . . . 29 HIS CE1 . 11126 1 286 . 1 1 30 30 ASN H H 1 7.544 0.030 . 1 . . . . 30 ASN H . 11126 1 287 . 1 1 30 30 ASN HA H 1 4.301 0.030 . 1 . . . . 30 ASN HA . 11126 1 288 . 1 1 30 30 ASN HB2 H 1 3.217 0.030 . 2 . . . . 30 ASN HB2 . 11126 1 289 . 1 1 30 30 ASN HB3 H 1 3.115 0.030 . 2 . . . . 30 ASN HB3 . 11126 1 290 . 1 1 30 30 ASN HD21 H 1 7.933 0.030 . 2 . . . . 30 ASN HD21 . 11126 1 291 . 1 1 30 30 ASN HD22 H 1 7.147 0.030 . 2 . . . . 30 ASN HD22 . 11126 1 292 . 1 1 30 30 ASN C C 13 171.536 0.300 . 1 . . . . 30 ASN C . 11126 1 293 . 1 1 30 30 ASN CA C 13 49.138 0.300 . 1 . . . . 30 ASN CA . 11126 1 294 . 1 1 30 30 ASN CB C 13 36.479 0.300 . 1 . . . . 30 ASN CB . 11126 1 295 . 1 1 30 30 ASN N N 15 115.838 0.300 . 1 . . . . 30 ASN N . 11126 1 296 . 1 1 30 30 ASN ND2 N 15 117.801 0.300 . 1 . . . . 30 ASN ND2 . 11126 1 297 . 1 1 31 31 PHE H H 1 9.207 0.030 . 1 . . . . 31 PHE H . 11126 1 298 . 1 1 31 31 PHE HA H 1 5.193 0.030 . 1 . . . . 31 PHE HA . 11126 1 299 . 1 1 31 31 PHE HB2 H 1 3.612 0.030 . 2 . . . . 31 PHE HB2 . 11126 1 300 . 1 1 31 31 PHE HB3 H 1 2.591 0.030 . 2 . . . . 31 PHE HB3 . 11126 1 301 . 1 1 31 31 PHE HD1 H 1 6.853 0.030 . 1 . . . . 31 PHE HD1 . 11126 1 302 . 1 1 31 31 PHE HD2 H 1 6.853 0.030 . 1 . . . . 31 PHE HD2 . 11126 1 303 . 1 1 31 31 PHE HE1 H 1 7.253 0.030 . 1 . . . . 31 PHE HE1 . 11126 1 304 . 1 1 31 31 PHE HE2 H 1 7.253 0.030 . 1 . . . . 31 PHE HE2 . 11126 1 305 . 1 1 31 31 PHE HZ H 1 6.882 0.030 . 1 . . . . 31 PHE HZ . 11126 1 306 . 1 1 31 31 PHE C C 13 170.133 0.300 . 1 . . . . 31 PHE C . 11126 1 307 . 1 1 31 31 PHE CA C 13 56.603 0.300 . 1 . . . . 31 PHE CA . 11126 1 308 . 1 1 31 31 PHE CB C 13 37.024 0.300 . 1 . . . . 31 PHE CB . 11126 1 309 . 1 1 31 31 PHE CD1 C 13 128.956 0.300 . 1 . . . . 31 PHE CD1 . 11126 1 310 . 1 1 31 31 PHE CD2 C 13 128.956 0.300 . 1 . . . . 31 PHE CD2 . 11126 1 311 . 1 1 31 31 PHE CE1 C 13 128.884 0.300 . 1 . . . . 31 PHE CE1 . 11126 1 312 . 1 1 31 31 PHE CE2 C 13 128.884 0.300 . 1 . . . . 31 PHE CE2 . 11126 1 313 . 1 1 31 31 PHE CZ C 13 126.021 0.300 . 1 . . . . 31 PHE CZ . 11126 1 314 . 1 1 31 31 PHE N N 15 115.656 0.300 . 1 . . . . 31 PHE N . 11126 1 315 . 1 1 32 32 THR H H 1 8.064 0.030 . 1 . . . . 32 THR H . 11126 1 316 . 1 1 32 32 THR HA H 1 4.486 0.030 . 1 . . . . 32 THR HA . 11126 1 317 . 1 1 32 32 THR HB H 1 4.194 0.030 . 1 . . . . 32 THR HB . 11126 1 318 . 1 1 32 32 THR HG21 H 1 1.156 0.030 . 1 . . . . 32 THR HG2 . 11126 1 319 . 1 1 32 32 THR HG22 H 1 1.156 0.030 . 1 . . . . 32 THR HG2 . 11126 1 320 . 1 1 32 32 THR HG23 H 1 1.156 0.030 . 1 . . . . 32 THR HG2 . 11126 1 321 . 1 1 32 32 THR C C 13 174.296 0.300 . 1 . . . . 32 THR C . 11126 1 322 . 1 1 32 32 THR CA C 13 57.579 0.300 . 1 . . . . 32 THR CA . 11126 1 323 . 1 1 32 32 THR CB C 13 67.843 0.300 . 1 . . . . 32 THR CB . 11126 1 324 . 1 1 32 32 THR CG2 C 13 20.678 0.300 . 1 . . . . 32 THR CG2 . 11126 1 325 . 1 1 32 32 THR N N 15 103.740 0.300 . 1 . . . . 32 THR N . 11126 1 326 . 1 1 33 33 THR H H 1 9.456 0.030 . 1 . . . . 33 THR H . 11126 1 327 . 1 1 33 33 THR HA H 1 3.899 0.030 . 1 . . . . 33 THR HA . 11126 1 328 . 1 1 33 33 THR HB H 1 4.471 0.030 . 1 . . . . 33 THR HB . 11126 1 329 . 1 1 33 33 THR HG21 H 1 1.479 0.030 . 1 . . . . 33 THR HG2 . 11126 1 330 . 1 1 33 33 THR HG22 H 1 1.479 0.030 . 1 . . . . 33 THR HG2 . 11126 1 331 . 1 1 33 33 THR HG23 H 1 1.479 0.030 . 1 . . . . 33 THR HG2 . 11126 1 332 . 1 1 33 33 THR C C 13 175.138 0.300 . 1 . . . . 33 THR C . 11126 1 333 . 1 1 33 33 THR CA C 13 62.959 0.300 . 1 . . . . 33 THR CA . 11126 1 334 . 1 1 33 33 THR CB C 13 66.140 0.300 . 1 . . . . 33 THR CB . 11126 1 335 . 1 1 33 33 THR CG2 C 13 20.435 0.300 . 1 . . . . 33 THR CG2 . 11126 1 336 . 1 1 33 33 THR N N 15 115.786 0.300 . 1 . . . . 33 THR N . 11126 1 337 . 1 1 34 34 SER H H 1 9.189 0.030 . 1 . . . . 34 SER H . 11126 1 338 . 1 1 34 34 SER HA H 1 4.300 0.030 . 1 . . . . 34 SER HA . 11126 1 339 . 1 1 34 34 SER HB2 H 1 3.525 0.030 . 2 . . . . 34 SER HB2 . 11126 1 340 . 1 1 34 34 SER HB3 H 1 3.346 0.030 . 2 . . . . 34 SER HB3 . 11126 1 341 . 1 1 34 34 SER C C 13 171.205 0.300 . 1 . . . . 34 SER C . 11126 1 342 . 1 1 34 34 SER CA C 13 59.244 0.300 . 1 . . . . 34 SER CA . 11126 1 343 . 1 1 34 34 SER CB C 13 61.587 0.300 . 1 . . . . 34 SER CB . 11126 1 344 . 1 1 34 34 SER N N 15 118.247 0.300 . 1 . . . . 34 SER N . 11126 1 345 . 1 1 35 35 TRP H H 1 7.728 0.030 . 1 . . . . 35 TRP H . 11126 1 346 . 1 1 35 35 TRP HA H 1 4.143 0.030 . 1 . . . . 35 TRP HA . 11126 1 347 . 1 1 35 35 TRP HB2 H 1 2.765 0.030 . 2 . . . . 35 TRP HB2 . 11126 1 348 . 1 1 35 35 TRP HB3 H 1 3.318 0.030 . 2 . . . . 35 TRP HB3 . 11126 1 349 . 1 1 35 35 TRP HD1 H 1 6.784 0.030 . 1 . . . . 35 TRP HD1 . 11126 1 350 . 1 1 35 35 TRP HE1 H 1 10.174 0.030 . 1 . . . . 35 TRP HE1 . 11126 1 351 . 1 1 35 35 TRP HE3 H 1 5.598 0.030 . 1 . . . . 35 TRP HE3 . 11126 1 352 . 1 1 35 35 TRP HH2 H 1 6.938 0.030 . 1 . . . . 35 TRP HH2 . 11126 1 353 . 1 1 35 35 TRP HZ2 H 1 7.149 0.030 . 1 . . . . 35 TRP HZ2 . 11126 1 354 . 1 1 35 35 TRP HZ3 H 1 6.002 0.030 . 1 . . . . 35 TRP HZ3 . 11126 1 355 . 1 1 35 35 TRP C C 13 174.182 0.300 . 1 . . . . 35 TRP C . 11126 1 356 . 1 1 35 35 TRP CA C 13 55.017 0.300 . 1 . . . . 35 TRP CA . 11126 1 357 . 1 1 35 35 TRP CB C 13 27.316 0.300 . 1 . . . . 35 TRP CB . 11126 1 358 . 1 1 35 35 TRP CD1 C 13 124.126 0.300 . 1 . . . . 35 TRP CD1 . 11126 1 359 . 1 1 35 35 TRP CE3 C 13 119.083 0.300 . 1 . . . . 35 TRP CE3 . 11126 1 360 . 1 1 35 35 TRP CH2 C 13 121.094 0.300 . 1 . . . . 35 TRP CH2 . 11126 1 361 . 1 1 35 35 TRP CZ2 C 13 110.997 0.300 . 1 . . . . 35 TRP CZ2 . 11126 1 362 . 1 1 35 35 TRP CZ3 C 13 118.961 0.300 . 1 . . . . 35 TRP CZ3 . 11126 1 363 . 1 1 35 35 TRP N N 15 118.947 0.300 . 1 . . . . 35 TRP N . 11126 1 364 . 1 1 35 35 TRP NE1 N 15 128.379 0.300 . 1 . . . . 35 TRP NE1 . 11126 1 365 . 1 1 36 36 ARG H H 1 6.979 0.030 . 1 . . . . 36 ARG H . 11126 1 366 . 1 1 36 36 ARG HA H 1 3.966 0.030 . 1 . . . . 36 ARG HA . 11126 1 367 . 1 1 36 36 ARG HB2 H 1 1.905 0.030 . 2 . . . . 36 ARG HB2 . 11126 1 368 . 1 1 36 36 ARG HB3 H 1 2.100 0.030 . 2 . . . . 36 ARG HB3 . 11126 1 369 . 1 1 36 36 ARG HD2 H 1 3.320 0.030 . 2 . . . . 36 ARG HD2 . 11126 1 370 . 1 1 36 36 ARG HD3 H 1 3.119 0.030 . 2 . . . . 36 ARG HD3 . 11126 1 371 . 1 1 36 36 ARG HG2 H 1 2.044 0.030 . 2 . . . . 36 ARG HG2 . 11126 1 372 . 1 1 36 36 ARG HG3 H 1 1.999 0.030 . 2 . . . . 36 ARG HG3 . 11126 1 373 . 1 1 36 36 ARG C C 13 171.938 0.300 . 1 . . . . 36 ARG C . 11126 1 374 . 1 1 36 36 ARG CA C 13 57.880 0.300 . 1 . . . . 36 ARG CA . 11126 1 375 . 1 1 36 36 ARG CB C 13 29.148 0.300 . 1 . . . . 36 ARG CB . 11126 1 376 . 1 1 36 36 ARG CD C 13 41.786 0.300 . 1 . . . . 36 ARG CD . 11126 1 377 . 1 1 36 36 ARG CG C 13 24.913 0.300 . 1 . . . . 36 ARG CG . 11126 1 378 . 1 1 36 36 ARG N N 15 119.521 0.300 . 1 . . . . 36 ARG N . 11126 1 379 . 1 1 37 37 ASP H H 1 7.555 0.030 . 1 . . . . 37 ASP H . 11126 1 380 . 1 1 37 37 ASP HA H 1 4.472 0.030 . 1 . . . . 37 ASP HA . 11126 1 381 . 1 1 37 37 ASP HB2 H 1 2.440 0.030 . 2 . . . . 37 ASP HB2 . 11126 1 382 . 1 1 37 37 ASP HB3 H 1 3.458 0.030 . 2 . . . . 37 ASP HB3 . 11126 1 383 . 1 1 37 37 ASP C C 13 175.099 0.300 . 1 . . . . 37 ASP C . 11126 1 384 . 1 1 37 37 ASP CA C 13 51.527 0.300 . 1 . . . . 37 ASP CA . 11126 1 385 . 1 1 37 37 ASP CB C 13 38.531 0.300 . 1 . . . . 37 ASP CB . 11126 1 386 . 1 1 37 37 ASP N N 15 108.274 0.300 . 1 . . . . 37 ASP N . 11126 1 387 . 1 1 38 38 GLY H H 1 7.557 0.030 . 1 . . . . 38 GLY H . 11126 1 388 . 1 1 38 38 GLY HA2 H 1 4.027 0.030 . 1 . . . . 38 GLY HA2 . 11126 1 389 . 1 1 38 38 GLY HA3 H 1 4.027 0.030 . 1 . . . . 38 GLY HA3 . 11126 1 390 . 1 1 38 38 GLY C C 13 173.784 0.300 . 1 . . . . 38 GLY C . 11126 1 391 . 1 1 38 38 GLY CA C 13 44.957 0.300 . 1 . . . . 38 GLY CA . 11126 1 392 . 1 1 38 38 GLY N N 15 102.531 0.300 . 1 . . . . 38 GLY N . 11126 1 393 . 1 1 39 39 LEU H H 1 9.052 0.030 . 1 . . . . 39 LEU H . 11126 1 394 . 1 1 39 39 LEU HA H 1 3.933 0.030 . 1 . . . . 39 LEU HA . 11126 1 395 . 1 1 39 39 LEU HB2 H 1 1.129 0.030 . 2 . . . . 39 LEU HB2 . 11126 1 396 . 1 1 39 39 LEU HB3 H 1 2.136 0.030 . 2 . . . . 39 LEU HB3 . 11126 1 397 . 1 1 39 39 LEU HD11 H 1 0.715 0.030 . 1 . . . . 39 LEU HD1 . 11126 1 398 . 1 1 39 39 LEU HD12 H 1 0.715 0.030 . 1 . . . . 39 LEU HD1 . 11126 1 399 . 1 1 39 39 LEU HD13 H 1 0.715 0.030 . 1 . . . . 39 LEU HD1 . 11126 1 400 . 1 1 39 39 LEU HD21 H 1 0.321 0.030 . 1 . . . . 39 LEU HD2 . 11126 1 401 . 1 1 39 39 LEU HD22 H 1 0.321 0.030 . 1 . . . . 39 LEU HD2 . 11126 1 402 . 1 1 39 39 LEU HD23 H 1 0.321 0.030 . 1 . . . . 39 LEU HD2 . 11126 1 403 . 1 1 39 39 LEU HG H 1 1.328 0.030 . 1 . . . . 39 LEU HG . 11126 1 404 . 1 1 39 39 LEU C C 13 176.764 0.300 . 1 . . . . 39 LEU C . 11126 1 405 . 1 1 39 39 LEU CA C 13 56.799 0.300 . 1 . . . . 39 LEU CA . 11126 1 406 . 1 1 39 39 LEU CB C 13 39.109 0.300 . 1 . . . . 39 LEU CB . 11126 1 407 . 1 1 39 39 LEU CD1 C 13 24.209 0.300 . 2 . . . . 39 LEU CD1 . 11126 1 408 . 1 1 39 39 LEU CD2 C 13 21.281 0.300 . 2 . . . . 39 LEU CD2 . 11126 1 409 . 1 1 39 39 LEU CG C 13 24.814 0.300 . 1 . . . . 39 LEU CG . 11126 1 410 . 1 1 39 39 LEU N N 15 124.031 0.300 . 1 . . . . 39 LEU N . 11126 1 411 . 1 1 40 40 ALA H H 1 8.991 0.030 . 1 . . . . 40 ALA H . 11126 1 412 . 1 1 40 40 ALA HA H 1 3.599 0.030 . 1 . . . . 40 ALA HA . 11126 1 413 . 1 1 40 40 ALA HB1 H 1 0.306 0.030 . 1 . . . . 40 ALA HB . 11126 1 414 . 1 1 40 40 ALA HB2 H 1 0.306 0.030 . 1 . . . . 40 ALA HB . 11126 1 415 . 1 1 40 40 ALA HB3 H 1 0.306 0.030 . 1 . . . . 40 ALA HB . 11126 1 416 . 1 1 40 40 ALA C C 13 177.003 0.300 . 1 . . . . 40 ALA C . 11126 1 417 . 1 1 40 40 ALA CA C 13 54.040 0.300 . 1 . . . . 40 ALA CA . 11126 1 418 . 1 1 40 40 ALA CB C 13 14.910 0.300 . 1 . . . . 40 ALA CB . 11126 1 419 . 1 1 40 40 ALA N N 15 121.381 0.300 . 1 . . . . 40 ALA N . 11126 1 420 . 1 1 41 41 PHE H H 1 8.064 0.030 . 1 . . . . 41 PHE H . 11126 1 421 . 1 1 41 41 PHE HA H 1 4.594 0.030 . 1 . . . . 41 PHE HA . 11126 1 422 . 1 1 41 41 PHE HB2 H 1 2.952 0.030 . 2 . . . . 41 PHE HB2 . 11126 1 423 . 1 1 41 41 PHE HB3 H 1 3.616 0.030 . 2 . . . . 41 PHE HB3 . 11126 1 424 . 1 1 41 41 PHE HD1 H 1 7.427 0.030 . 1 . . . . 41 PHE HD1 . 11126 1 425 . 1 1 41 41 PHE HD2 H 1 7.427 0.030 . 1 . . . . 41 PHE HD2 . 11126 1 426 . 1 1 41 41 PHE HE1 H 1 7.298 0.030 . 1 . . . . 41 PHE HE1 . 11126 1 427 . 1 1 41 41 PHE HE2 H 1 7.298 0.030 . 1 . . . . 41 PHE HE2 . 11126 1 428 . 1 1 41 41 PHE HZ H 1 7.020 0.030 . 1 . . . . 41 PHE HZ . 11126 1 429 . 1 1 41 41 PHE C C 13 175.754 0.300 . 1 . . . . 41 PHE C . 11126 1 430 . 1 1 41 41 PHE CA C 13 61.085 0.300 . 1 . . . . 41 PHE CA . 11126 1 431 . 1 1 41 41 PHE CB C 13 38.104 0.300 . 1 . . . . 41 PHE CB . 11126 1 432 . 1 1 41 41 PHE CD1 C 13 130.260 0.300 . 1 . . . . 41 PHE CD1 . 11126 1 433 . 1 1 41 41 PHE CD2 C 13 130.260 0.300 . 1 . . . . 41 PHE CD2 . 11126 1 434 . 1 1 41 41 PHE CE1 C 13 129.623 0.300 . 1 . . . . 41 PHE CE1 . 11126 1 435 . 1 1 41 41 PHE CE2 C 13 129.623 0.300 . 1 . . . . 41 PHE CE2 . 11126 1 436 . 1 1 41 41 PHE CZ C 13 127.068 0.300 . 1 . . . . 41 PHE CZ . 11126 1 437 . 1 1 41 41 PHE N N 15 112.904 0.300 . 1 . . . . 41 PHE N . 11126 1 438 . 1 1 42 42 ASN H H 1 7.283 0.030 . 1 . . . . 42 ASN H . 11126 1 439 . 1 1 42 42 ASN HA H 1 4.237 0.030 . 1 . . . . 42 ASN HA . 11126 1 440 . 1 1 42 42 ASN HB2 H 1 2.408 0.030 . 2 . . . . 42 ASN HB2 . 11126 1 441 . 1 1 42 42 ASN HB3 H 1 2.798 0.030 . 2 . . . . 42 ASN HB3 . 11126 1 442 . 1 1 42 42 ASN HD21 H 1 7.306 0.030 . 2 . . . . 42 ASN HD21 . 11126 1 443 . 1 1 42 42 ASN HD22 H 1 7.637 0.030 . 2 . . . . 42 ASN HD22 . 11126 1 444 . 1 1 42 42 ASN C C 13 174.245 0.300 . 1 . . . . 42 ASN C . 11126 1 445 . 1 1 42 42 ASN CA C 13 55.617 0.300 . 1 . . . . 42 ASN CA . 11126 1 446 . 1 1 42 42 ASN CB C 13 38.601 0.300 . 1 . . . . 42 ASN CB . 11126 1 447 . 1 1 42 42 ASN N N 15 113.155 0.300 . 1 . . . . 42 ASN N . 11126 1 448 . 1 1 42 42 ASN ND2 N 15 114.659 0.300 . 1 . . . . 42 ASN ND2 . 11126 1 449 . 1 1 43 43 ALA H H 1 9.012 0.030 . 1 . . . . 43 ALA H . 11126 1 450 . 1 1 43 43 ALA HA H 1 3.157 0.030 . 1 . . . . 43 ALA HA . 11126 1 451 . 1 1 43 43 ALA HB1 H 1 0.383 0.030 . 1 . . . . 43 ALA HB . 11126 1 452 . 1 1 43 43 ALA HB2 H 1 0.383 0.030 . 1 . . . . 43 ALA HB . 11126 1 453 . 1 1 43 43 ALA HB3 H 1 0.383 0.030 . 1 . . . . 43 ALA HB . 11126 1 454 . 1 1 43 43 ALA C C 13 175.206 0.300 . 1 . . . . 43 ALA C . 11126 1 455 . 1 1 43 43 ALA CA C 13 52.871 0.300 . 1 . . . . 43 ALA CA . 11126 1 456 . 1 1 43 43 ALA CB C 13 15.528 0.300 . 1 . . . . 43 ALA CB . 11126 1 457 . 1 1 43 43 ALA N N 15 122.561 0.300 . 1 . . . . 43 ALA N . 11126 1 458 . 1 1 44 44 ILE H H 1 7.654 0.030 . 1 . . . . 44 ILE H . 11126 1 459 . 1 1 44 44 ILE HA H 1 3.211 0.030 . 1 . . . . 44 ILE HA . 11126 1 460 . 1 1 44 44 ILE HB H 1 2.184 0.030 . 1 . . . . 44 ILE HB . 11126 1 461 . 1 1 44 44 ILE HD11 H 1 1.244 0.030 . 1 . . . . 44 ILE HD1 . 11126 1 462 . 1 1 44 44 ILE HD12 H 1 1.244 0.030 . 1 . . . . 44 ILE HD1 . 11126 1 463 . 1 1 44 44 ILE HD13 H 1 1.244 0.030 . 1 . . . . 44 ILE HD1 . 11126 1 464 . 1 1 44 44 ILE HG12 H 1 1.947 0.030 . 2 . . . . 44 ILE HG12 . 11126 1 465 . 1 1 44 44 ILE HG13 H 1 0.752 0.030 . 2 . . . . 44 ILE HG13 . 11126 1 466 . 1 1 44 44 ILE HG21 H 1 1.205 0.030 . 1 . . . . 44 ILE HG2 . 11126 1 467 . 1 1 44 44 ILE HG22 H 1 1.205 0.030 . 1 . . . . 44 ILE HG2 . 11126 1 468 . 1 1 44 44 ILE HG23 H 1 1.205 0.030 . 1 . . . . 44 ILE HG2 . 11126 1 469 . 1 1 44 44 ILE C C 13 176.015 0.300 . 1 . . . . 44 ILE C . 11126 1 470 . 1 1 44 44 ILE CA C 13 63.618 0.300 . 1 . . . . 44 ILE CA . 11126 1 471 . 1 1 44 44 ILE CB C 13 35.584 0.300 . 1 . . . . 44 ILE CB . 11126 1 472 . 1 1 44 44 ILE CD1 C 13 11.751 0.300 . 1 . . . . 44 ILE CD1 . 11126 1 473 . 1 1 44 44 ILE CG1 C 13 28.127 0.300 . 1 . . . . 44 ILE CG1 . 11126 1 474 . 1 1 44 44 ILE CG2 C 13 17.571 0.300 . 1 . . . . 44 ILE CG2 . 11126 1 475 . 1 1 44 44 ILE N N 15 114.455 0.300 . 1 . . . . 44 ILE N . 11126 1 476 . 1 1 45 45 VAL H H 1 7.443 0.030 . 1 . . . . 45 VAL H . 11126 1 477 . 1 1 45 45 VAL HA H 1 3.494 0.030 . 1 . . . . 45 VAL HA . 11126 1 478 . 1 1 45 45 VAL HB H 1 2.207 0.030 . 1 . . . . 45 VAL HB . 11126 1 479 . 1 1 45 45 VAL HG11 H 1 0.896 0.030 . 1 . . . . 45 VAL HG1 . 11126 1 480 . 1 1 45 45 VAL HG12 H 1 0.896 0.030 . 1 . . . . 45 VAL HG1 . 11126 1 481 . 1 1 45 45 VAL HG13 H 1 0.896 0.030 . 1 . . . . 45 VAL HG1 . 11126 1 482 . 1 1 45 45 VAL HG21 H 1 1.106 0.030 . 1 . . . . 45 VAL HG2 . 11126 1 483 . 1 1 45 45 VAL HG22 H 1 1.106 0.030 . 1 . . . . 45 VAL HG2 . 11126 1 484 . 1 1 45 45 VAL HG23 H 1 1.106 0.030 . 1 . . . . 45 VAL HG2 . 11126 1 485 . 1 1 45 45 VAL C C 13 174.606 0.300 . 1 . . . . 45 VAL C . 11126 1 486 . 1 1 45 45 VAL CA C 13 65.276 0.300 . 1 . . . . 45 VAL CA . 11126 1 487 . 1 1 45 45 VAL CB C 13 29.328 0.300 . 1 . . . . 45 VAL CB . 11126 1 488 . 1 1 45 45 VAL CG1 C 13 19.766 0.300 . 2 . . . . 45 VAL CG1 . 11126 1 489 . 1 1 45 45 VAL CG2 C 13 19.695 0.300 . 2 . . . . 45 VAL CG2 . 11126 1 490 . 1 1 45 45 VAL N N 15 118.943 0.300 . 1 . . . . 45 VAL N . 11126 1 491 . 1 1 46 46 HIS H H 1 8.796 0.030 . 1 . . . . 46 HIS H . 11126 1 492 . 1 1 46 46 HIS HA H 1 3.655 0.030 . 1 . . . . 46 HIS HA . 11126 1 493 . 1 1 46 46 HIS HB2 H 1 3.069 0.030 . 1 . . . . 46 HIS HB2 . 11126 1 494 . 1 1 46 46 HIS HB3 H 1 3.069 0.030 . 1 . . . . 46 HIS HB3 . 11126 1 495 . 1 1 46 46 HIS HD2 H 1 7.785 0.030 . 1 . . . . 46 HIS HD2 . 11126 1 496 . 1 1 46 46 HIS HE1 H 1 7.736 0.030 . 1 . . . . 46 HIS HE1 . 11126 1 497 . 1 1 46 46 HIS C C 13 173.052 0.300 . 1 . . . . 46 HIS C . 11126 1 498 . 1 1 46 46 HIS CA C 13 59.228 0.300 . 1 . . . . 46 HIS CA . 11126 1 499 . 1 1 46 46 HIS CB C 13 29.055 0.300 . 1 . . . . 46 HIS CB . 11126 1 500 . 1 1 46 46 HIS CD2 C 13 115.661 0.300 . 1 . . . . 46 HIS CD2 . 11126 1 501 . 1 1 46 46 HIS CE1 C 13 135.601 0.300 . 1 . . . . 46 HIS CE1 . 11126 1 502 . 1 1 46 46 HIS N N 15 120.826 0.300 . 1 . . . . 46 HIS N . 11126 1 503 . 1 1 47 47 LYS H H 1 8.413 0.030 . 1 . . . . 47 LYS H . 11126 1 504 . 1 1 47 47 LYS HA H 1 3.848 0.030 . 1 . . . . 47 LYS HA . 11126 1 505 . 1 1 47 47 LYS HB2 H 1 2.000 0.030 . 2 . . . . 47 LYS HB2 . 11126 1 506 . 1 1 47 47 LYS HB3 H 1 1.328 0.030 . 2 . . . . 47 LYS HB3 . 11126 1 507 . 1 1 47 47 LYS HD2 H 1 1.623 0.030 . 2 . . . . 47 LYS HD2 . 11126 1 508 . 1 1 47 47 LYS HD3 H 1 1.762 0.030 . 2 . . . . 47 LYS HD3 . 11126 1 509 . 1 1 47 47 LYS HE2 H 1 2.756 0.030 . 1 . . . . 47 LYS HE2 . 11126 1 510 . 1 1 47 47 LYS HE3 H 1 2.756 0.030 . 1 . . . . 47 LYS HE3 . 11126 1 511 . 1 1 47 47 LYS HG2 H 1 1.192 0.030 . 2 . . . . 47 LYS HG2 . 11126 1 512 . 1 1 47 47 LYS HG3 H 1 0.475 0.030 . 2 . . . . 47 LYS HG3 . 11126 1 513 . 1 1 47 47 LYS C C 13 174.757 0.300 . 1 . . . . 47 LYS C . 11126 1 514 . 1 1 47 47 LYS CA C 13 54.469 0.300 . 1 . . . . 47 LYS CA . 11126 1 515 . 1 1 47 47 LYS CB C 13 28.971 0.300 . 1 . . . . 47 LYS CB . 11126 1 516 . 1 1 47 47 LYS CD C 13 25.742 0.300 . 1 . . . . 47 LYS CD . 11126 1 517 . 1 1 47 47 LYS CE C 13 40.204 0.300 . 1 . . . . 47 LYS CE . 11126 1 518 . 1 1 47 47 LYS CG C 13 21.711 0.300 . 1 . . . . 47 LYS CG . 11126 1 519 . 1 1 47 47 LYS N N 15 117.049 0.300 . 1 . . . . 47 LYS N . 11126 1 520 . 1 1 48 48 HIS H H 1 6.733 0.030 . 1 . . . . 48 HIS H . 11126 1 521 . 1 1 48 48 HIS HA H 1 4.260 0.030 . 1 . . . . 48 HIS HA . 11126 1 522 . 1 1 48 48 HIS HB2 H 1 2.198 0.030 . 2 . . . . 48 HIS HB2 . 11126 1 523 . 1 1 48 48 HIS HB3 H 1 3.258 0.030 . 2 . . . . 48 HIS HB3 . 11126 1 524 . 1 1 48 48 HIS HD2 H 1 6.842 0.030 . 1 . . . . 48 HIS HD2 . 11126 1 525 . 1 1 48 48 HIS HE1 H 1 6.825 0.030 . 1 . . . . 48 HIS HE1 . 11126 1 526 . 1 1 48 48 HIS C C 13 172.800 0.300 . 1 . . . . 48 HIS C . 11126 1 527 . 1 1 48 48 HIS CA C 13 56.757 0.300 . 1 . . . . 48 HIS CA . 11126 1 528 . 1 1 48 48 HIS CB C 13 29.987 0.300 . 1 . . . . 48 HIS CB . 11126 1 529 . 1 1 48 48 HIS CD2 C 13 127.205 0.300 . 1 . . . . 48 HIS CD2 . 11126 1 530 . 1 1 48 48 HIS CE1 C 13 132.668 0.300 . 1 . . . . 48 HIS CE1 . 11126 1 531 . 1 1 48 48 HIS N N 15 112.215 0.300 . 1 . . . . 48 HIS N . 11126 1 532 . 1 1 49 49 ARG H H 1 8.806 0.030 . 1 . . . . 49 ARG H . 11126 1 533 . 1 1 49 49 ARG HA H 1 4.816 0.030 . 1 . . . . 49 ARG HA . 11126 1 534 . 1 1 49 49 ARG HB2 H 1 1.748 0.030 . 2 . . . . 49 ARG HB2 . 11126 1 535 . 1 1 49 49 ARG HB3 H 1 1.984 0.030 . 2 . . . . 49 ARG HB3 . 11126 1 536 . 1 1 49 49 ARG HD2 H 1 3.505 0.030 . 2 . . . . 49 ARG HD2 . 11126 1 537 . 1 1 49 49 ARG HD3 H 1 3.440 0.030 . 2 . . . . 49 ARG HD3 . 11126 1 538 . 1 1 49 49 ARG HE H 1 8.904 0.030 . 1 . . . . 49 ARG HE . 11126 1 539 . 1 1 49 49 ARG HG2 H 1 1.458 0.030 . 2 . . . . 49 ARG HG2 . 11126 1 540 . 1 1 49 49 ARG HG3 H 1 1.792 0.030 . 2 . . . . 49 ARG HG3 . 11126 1 541 . 1 1 49 49 ARG C C 13 169.950 0.300 . 1 . . . . 49 ARG C . 11126 1 542 . 1 1 49 49 ARG CA C 13 48.017 0.300 . 1 . . . . 49 ARG CA . 11126 1 543 . 1 1 49 49 ARG CB C 13 26.752 0.300 . 1 . . . . 49 ARG CB . 11126 1 544 . 1 1 49 49 ARG CD C 13 37.422 0.300 . 1 . . . . 49 ARG CD . 11126 1 545 . 1 1 49 49 ARG CG C 13 22.713 0.300 . 1 . . . . 49 ARG CG . 11126 1 546 . 1 1 49 49 ARG N N 15 119.110 0.300 . 1 . . . . 49 ARG N . 11126 1 547 . 1 1 49 49 ARG NE N 15 80.376 0.300 . 1 . . . . 49 ARG NE . 11126 1 548 . 1 1 50 50 PRO HA H 1 4.175 0.030 . 1 . . . . 50 PRO HA . 11126 1 549 . 1 1 50 50 PRO HB2 H 1 1.841 0.030 . 2 . . . . 50 PRO HB2 . 11126 1 550 . 1 1 50 50 PRO HB3 H 1 1.576 0.030 . 2 . . . . 50 PRO HB3 . 11126 1 551 . 1 1 50 50 PRO HD2 H 1 3.177 0.030 . 2 . . . . 50 PRO HD2 . 11126 1 552 . 1 1 50 50 PRO HD3 H 1 3.635 0.030 . 2 . . . . 50 PRO HD3 . 11126 1 553 . 1 1 50 50 PRO HG2 H 1 1.821 0.030 . 1 . . . . 50 PRO HG2 . 11126 1 554 . 1 1 50 50 PRO HG3 H 1 1.821 0.030 . 1 . . . . 50 PRO HG3 . 11126 1 555 . 1 1 50 50 PRO C C 13 173.888 0.300 . 1 . . . . 50 PRO C . 11126 1 556 . 1 1 50 50 PRO CA C 13 62.430 0.300 . 1 . . . . 50 PRO CA . 11126 1 557 . 1 1 50 50 PRO CB C 13 28.396 0.300 . 1 . . . . 50 PRO CB . 11126 1 558 . 1 1 50 50 PRO CD C 13 47.609 0.300 . 1 . . . . 50 PRO CD . 11126 1 559 . 1 1 50 50 PRO CG C 13 24.617 0.300 . 1 . . . . 50 PRO CG . 11126 1 560 . 1 1 51 51 ASP H H 1 8.930 0.030 . 1 . . . . 51 ASP H . 11126 1 561 . 1 1 51 51 ASP HA H 1 4.293 0.030 . 1 . . . . 51 ASP HA . 11126 1 562 . 1 1 51 51 ASP HB2 H 1 2.557 0.030 . 1 . . . . 51 ASP HB2 . 11126 1 563 . 1 1 51 51 ASP HB3 H 1 2.557 0.030 . 1 . . . . 51 ASP HB3 . 11126 1 564 . 1 1 51 51 ASP C C 13 174.874 0.300 . 1 . . . . 51 ASP C . 11126 1 565 . 1 1 51 51 ASP CA C 13 52.167 0.300 . 1 . . . . 51 ASP CA . 11126 1 566 . 1 1 51 51 ASP CB C 13 37.555 0.300 . 1 . . . . 51 ASP CB . 11126 1 567 . 1 1 51 51 ASP N N 15 113.534 0.300 . 1 . . . . 51 ASP N . 11126 1 568 . 1 1 52 52 LEU H H 1 7.749 0.030 . 1 . . . . 52 LEU H . 11126 1 569 . 1 1 52 52 LEU HA H 1 4.239 0.030 . 1 . . . . 52 LEU HA . 11126 1 570 . 1 1 52 52 LEU HB2 H 1 1.489 0.030 . 2 . . . . 52 LEU HB2 . 11126 1 571 . 1 1 52 52 LEU HB3 H 1 1.910 0.030 . 2 . . . . 52 LEU HB3 . 11126 1 572 . 1 1 52 52 LEU HD11 H 1 0.697 0.030 . 1 . . . . 52 LEU HD1 . 11126 1 573 . 1 1 52 52 LEU HD12 H 1 0.697 0.030 . 1 . . . . 52 LEU HD1 . 11126 1 574 . 1 1 52 52 LEU HD13 H 1 0.697 0.030 . 1 . . . . 52 LEU HD1 . 11126 1 575 . 1 1 52 52 LEU HD21 H 1 0.748 0.030 . 1 . . . . 52 LEU HD2 . 11126 1 576 . 1 1 52 52 LEU HD22 H 1 0.748 0.030 . 1 . . . . 52 LEU HD2 . 11126 1 577 . 1 1 52 52 LEU HD23 H 1 0.748 0.030 . 1 . . . . 52 LEU HD2 . 11126 1 578 . 1 1 52 52 LEU HG H 1 1.664 0.030 . 1 . . . . 52 LEU HG . 11126 1 579 . 1 1 52 52 LEU C C 13 173.823 0.300 . 1 . . . . 52 LEU C . 11126 1 580 . 1 1 52 52 LEU CA C 13 53.268 0.300 . 1 . . . . 52 LEU CA . 11126 1 581 . 1 1 52 52 LEU CB C 13 41.065 0.300 . 1 . . . . 52 LEU CB . 11126 1 582 . 1 1 52 52 LEU CD1 C 13 23.161 0.300 . 2 . . . . 52 LEU CD1 . 11126 1 583 . 1 1 52 52 LEU CD2 C 13 20.441 0.300 . 2 . . . . 52 LEU CD2 . 11126 1 584 . 1 1 52 52 LEU CG C 13 24.752 0.300 . 1 . . . . 52 LEU CG . 11126 1 585 . 1 1 52 52 LEU N N 15 116.354 0.300 . 1 . . . . 52 LEU N . 11126 1 586 . 1 1 53 53 LEU H H 1 7.300 0.030 . 1 . . . . 53 LEU H . 11126 1 587 . 1 1 53 53 LEU HA H 1 4.523 0.030 . 1 . . . . 53 LEU HA . 11126 1 588 . 1 1 53 53 LEU HB2 H 1 1.874 0.030 . 2 . . . . 53 LEU HB2 . 11126 1 589 . 1 1 53 53 LEU HB3 H 1 1.562 0.030 . 2 . . . . 53 LEU HB3 . 11126 1 590 . 1 1 53 53 LEU HD11 H 1 0.963 0.030 . 1 . . . . 53 LEU HD1 . 11126 1 591 . 1 1 53 53 LEU HD12 H 1 0.963 0.030 . 1 . . . . 53 LEU HD1 . 11126 1 592 . 1 1 53 53 LEU HD13 H 1 0.963 0.030 . 1 . . . . 53 LEU HD1 . 11126 1 593 . 1 1 53 53 LEU HD21 H 1 1.011 0.030 . 1 . . . . 53 LEU HD2 . 11126 1 594 . 1 1 53 53 LEU HD22 H 1 1.011 0.030 . 1 . . . . 53 LEU HD2 . 11126 1 595 . 1 1 53 53 LEU HD23 H 1 1.011 0.030 . 1 . . . . 53 LEU HD2 . 11126 1 596 . 1 1 53 53 LEU HG H 1 1.654 0.030 . 1 . . . . 53 LEU HG . 11126 1 597 . 1 1 53 53 LEU C C 13 170.328 0.300 . 1 . . . . 53 LEU C . 11126 1 598 . 1 1 53 53 LEU CA C 13 53.326 0.300 . 1 . . . . 53 LEU CA . 11126 1 599 . 1 1 53 53 LEU CB C 13 41.118 0.300 . 1 . . . . 53 LEU CB . 11126 1 600 . 1 1 53 53 LEU CD1 C 13 25.161 0.300 . 2 . . . . 53 LEU CD1 . 11126 1 601 . 1 1 53 53 LEU CD2 C 13 24.345 0.300 . 2 . . . . 53 LEU CD2 . 11126 1 602 . 1 1 53 53 LEU CG C 13 24.912 0.300 . 1 . . . . 53 LEU CG . 11126 1 603 . 1 1 53 53 LEU N N 15 113.932 0.300 . 1 . . . . 53 LEU N . 11126 1 604 . 1 1 54 54 ASP H H 1 8.327 0.030 . 1 . . . . 54 ASP H . 11126 1 605 . 1 1 54 54 ASP HA H 1 5.025 0.030 . 1 . . . . 54 ASP HA . 11126 1 606 . 1 1 54 54 ASP HB2 H 1 2.711 0.030 . 2 . . . . 54 ASP HB2 . 11126 1 607 . 1 1 54 54 ASP HB3 H 1 2.581 0.030 . 2 . . . . 54 ASP HB3 . 11126 1 608 . 1 1 54 54 ASP C C 13 174.652 0.300 . 1 . . . . 54 ASP C . 11126 1 609 . 1 1 54 54 ASP CA C 13 49.588 0.300 . 1 . . . . 54 ASP CA . 11126 1 610 . 1 1 54 54 ASP CB C 13 38.633 0.300 . 1 . . . . 54 ASP CB . 11126 1 611 . 1 1 54 54 ASP N N 15 118.424 0.300 . 1 . . . . 54 ASP N . 11126 1 612 . 1 1 55 55 PHE H H 1 7.621 0.030 . 1 . . . . 55 PHE H . 11126 1 613 . 1 1 55 55 PHE HA H 1 3.543 0.030 . 1 . . . . 55 PHE HA . 11126 1 614 . 1 1 55 55 PHE HB2 H 1 2.441 0.030 . 2 . . . . 55 PHE HB2 . 11126 1 615 . 1 1 55 55 PHE HB3 H 1 2.159 0.030 . 2 . . . . 55 PHE HB3 . 11126 1 616 . 1 1 55 55 PHE HD1 H 1 6.730 0.030 . 1 . . . . 55 PHE HD1 . 11126 1 617 . 1 1 55 55 PHE HD2 H 1 6.730 0.030 . 1 . . . . 55 PHE HD2 . 11126 1 618 . 1 1 55 55 PHE HE1 H 1 7.353 0.030 . 1 . . . . 55 PHE HE1 . 11126 1 619 . 1 1 55 55 PHE HE2 H 1 7.353 0.030 . 1 . . . . 55 PHE HE2 . 11126 1 620 . 1 1 55 55 PHE HZ H 1 7.065 0.030 . 1 . . . . 55 PHE HZ . 11126 1 621 . 1 1 55 55 PHE C C 13 174.595 0.300 . 1 . . . . 55 PHE C . 11126 1 622 . 1 1 55 55 PHE CA C 13 59.936 0.300 . 1 . . . . 55 PHE CA . 11126 1 623 . 1 1 55 55 PHE CB C 13 36.367 0.300 . 1 . . . . 55 PHE CB . 11126 1 624 . 1 1 55 55 PHE CD1 C 13 129.246 0.300 . 1 . . . . 55 PHE CD1 . 11126 1 625 . 1 1 55 55 PHE CD2 C 13 129.246 0.300 . 1 . . . . 55 PHE CD2 . 11126 1 626 . 1 1 55 55 PHE CE1 C 13 129.392 0.300 . 1 . . . . 55 PHE CE1 . 11126 1 627 . 1 1 55 55 PHE CE2 C 13 129.392 0.300 . 1 . . . . 55 PHE CE2 . 11126 1 628 . 1 1 55 55 PHE CZ C 13 127.920 0.300 . 1 . . . . 55 PHE CZ . 11126 1 629 . 1 1 55 55 PHE N N 15 126.629 0.300 . 1 . . . . 55 PHE N . 11126 1 630 . 1 1 56 56 GLU H H 1 8.335 0.030 . 1 . . . . 56 GLU H . 11126 1 631 . 1 1 56 56 GLU HA H 1 3.871 0.030 . 1 . . . . 56 GLU HA . 11126 1 632 . 1 1 56 56 GLU HB2 H 1 2.055 0.030 . 1 . . . . 56 GLU HB2 . 11126 1 633 . 1 1 56 56 GLU HB3 H 1 2.055 0.030 . 1 . . . . 56 GLU HB3 . 11126 1 634 . 1 1 56 56 GLU HG2 H 1 2.302 0.030 . 2 . . . . 56 GLU HG2 . 11126 1 635 . 1 1 56 56 GLU HG3 H 1 2.345 0.030 . 2 . . . . 56 GLU HG3 . 11126 1 636 . 1 1 56 56 GLU C C 13 174.102 0.300 . 1 . . . . 56 GLU C . 11126 1 637 . 1 1 56 56 GLU CA C 13 56.275 0.300 . 1 . . . . 56 GLU CA . 11126 1 638 . 1 1 56 56 GLU CB C 13 26.882 0.300 . 1 . . . . 56 GLU CB . 11126 1 639 . 1 1 56 56 GLU CG C 13 34.584 0.300 . 1 . . . . 56 GLU CG . 11126 1 640 . 1 1 56 56 GLU N N 15 116.698 0.300 . 1 . . . . 56 GLU N . 11126 1 641 . 1 1 57 57 SER H H 1 7.184 0.030 . 1 . . . . 57 SER H . 11126 1 642 . 1 1 57 57 SER HA H 1 4.133 0.030 . 1 . . . . 57 SER HA . 11126 1 643 . 1 1 57 57 SER HB2 H 1 3.805 0.030 . 2 . . . . 57 SER HB2 . 11126 1 644 . 1 1 57 57 SER HB3 H 1 3.767 0.030 . 2 . . . . 57 SER HB3 . 11126 1 645 . 1 1 57 57 SER C C 13 172.535 0.300 . 1 . . . . 57 SER C . 11126 1 646 . 1 1 57 57 SER CA C 13 57.176 0.300 . 1 . . . . 57 SER CA . 11126 1 647 . 1 1 57 57 SER CB C 13 61.732 0.300 . 1 . . . . 57 SER CB . 11126 1 648 . 1 1 57 57 SER N N 15 111.403 0.300 . 1 . . . . 57 SER N . 11126 1 649 . 1 1 58 58 LEU H H 1 7.141 0.030 . 1 . . . . 58 LEU H . 11126 1 650 . 1 1 58 58 LEU HA H 1 4.295 0.030 . 1 . . . . 58 LEU HA . 11126 1 651 . 1 1 58 58 LEU HB2 H 1 1.123 0.030 . 2 . . . . 58 LEU HB2 . 11126 1 652 . 1 1 58 58 LEU HB3 H 1 0.841 0.030 . 2 . . . . 58 LEU HB3 . 11126 1 653 . 1 1 58 58 LEU HD11 H 1 0.451 0.030 . 1 . . . . 58 LEU HD1 . 11126 1 654 . 1 1 58 58 LEU HD12 H 1 0.451 0.030 . 1 . . . . 58 LEU HD1 . 11126 1 655 . 1 1 58 58 LEU HD13 H 1 0.451 0.030 . 1 . . . . 58 LEU HD1 . 11126 1 656 . 1 1 58 58 LEU HD21 H 1 0.777 0.030 . 1 . . . . 58 LEU HD2 . 11126 1 657 . 1 1 58 58 LEU HD22 H 1 0.777 0.030 . 1 . . . . 58 LEU HD2 . 11126 1 658 . 1 1 58 58 LEU HD23 H 1 0.777 0.030 . 1 . . . . 58 LEU HD2 . 11126 1 659 . 1 1 58 58 LEU HG H 1 1.461 0.030 . 1 . . . . 58 LEU HG . 11126 1 660 . 1 1 58 58 LEU C C 13 174.805 0.300 . 1 . . . . 58 LEU C . 11126 1 661 . 1 1 58 58 LEU CA C 13 52.119 0.300 . 1 . . . . 58 LEU CA . 11126 1 662 . 1 1 58 58 LEU CB C 13 38.881 0.300 . 1 . . . . 58 LEU CB . 11126 1 663 . 1 1 58 58 LEU CD1 C 13 23.797 0.300 . 2 . . . . 58 LEU CD1 . 11126 1 664 . 1 1 58 58 LEU CD2 C 13 18.819 0.300 . 2 . . . . 58 LEU CD2 . 11126 1 665 . 1 1 58 58 LEU CG C 13 23.838 0.300 . 1 . . . . 58 LEU CG . 11126 1 666 . 1 1 58 58 LEU N N 15 121.787 0.300 . 1 . . . . 58 LEU N . 11126 1 667 . 1 1 59 59 LYS H H 1 9.248 0.030 . 1 . . . . 59 LYS H . 11126 1 668 . 1 1 59 59 LYS HA H 1 4.569 0.030 . 1 . . . . 59 LYS HA . 11126 1 669 . 1 1 59 59 LYS HB2 H 1 1.661 0.030 . 2 . . . . 59 LYS HB2 . 11126 1 670 . 1 1 59 59 LYS HB3 H 1 1.932 0.030 . 2 . . . . 59 LYS HB3 . 11126 1 671 . 1 1 59 59 LYS HD2 H 1 1.518 0.030 . 1 . . . . 59 LYS HD2 . 11126 1 672 . 1 1 59 59 LYS HD3 H 1 1.518 0.030 . 1 . . . . 59 LYS HD3 . 11126 1 673 . 1 1 59 59 LYS HE2 H 1 2.838 0.030 . 1 . . . . 59 LYS HE2 . 11126 1 674 . 1 1 59 59 LYS HE3 H 1 2.838 0.030 . 1 . . . . 59 LYS HE3 . 11126 1 675 . 1 1 59 59 LYS HG2 H 1 1.338 0.030 . 2 . . . . 59 LYS HG2 . 11126 1 676 . 1 1 59 59 LYS HG3 H 1 1.250 0.030 . 2 . . . . 59 LYS HG3 . 11126 1 677 . 1 1 59 59 LYS C C 13 175.956 0.300 . 1 . . . . 59 LYS C . 11126 1 678 . 1 1 59 59 LYS CA C 13 51.894 0.300 . 1 . . . . 59 LYS CA . 11126 1 679 . 1 1 59 59 LYS CB C 13 32.851 0.300 . 1 . . . . 59 LYS CB . 11126 1 680 . 1 1 59 59 LYS CD C 13 26.528 0.300 . 1 . . . . 59 LYS CD . 11126 1 681 . 1 1 59 59 LYS CE C 13 39.934 0.300 . 1 . . . . 59 LYS CE . 11126 1 682 . 1 1 59 59 LYS CG C 13 22.170 0.300 . 1 . . . . 59 LYS CG . 11126 1 683 . 1 1 59 59 LYS N N 15 121.188 0.300 . 1 . . . . 59 LYS N . 11126 1 684 . 1 1 60 60 LYS HA H 1 3.532 0.030 . 1 . . . . 60 LYS HA . 11126 1 685 . 1 1 60 60 LYS HB2 H 1 1.733 0.030 . 1 . . . . 60 LYS HB2 . 11126 1 686 . 1 1 60 60 LYS HB3 H 1 1.733 0.030 . 1 . . . . 60 LYS HB3 . 11126 1 687 . 1 1 60 60 LYS HD2 H 1 1.557 0.030 . 1 . . . . 60 LYS HD2 . 11126 1 688 . 1 1 60 60 LYS HD3 H 1 1.557 0.030 . 1 . . . . 60 LYS HD3 . 11126 1 689 . 1 1 60 60 LYS HE2 H 1 2.939 0.030 . 1 . . . . 60 LYS HE2 . 11126 1 690 . 1 1 60 60 LYS HE3 H 1 2.939 0.030 . 1 . . . . 60 LYS HE3 . 11126 1 691 . 1 1 60 60 LYS HG2 H 1 1.372 0.030 . 1 . . . . 60 LYS HG2 . 11126 1 692 . 1 1 60 60 LYS HG3 H 1 1.372 0.030 . 1 . . . . 60 LYS HG3 . 11126 1 693 . 1 1 60 60 LYS C C 13 173.203 0.300 . 1 . . . . 60 LYS C . 11126 1 694 . 1 1 60 60 LYS CA C 13 57.325 0.300 . 1 . . . . 60 LYS CA . 11126 1 695 . 1 1 60 60 LYS CB C 13 30.573 0.300 . 1 . . . . 60 LYS CB . 11126 1 696 . 1 1 60 60 LYS CD C 13 27.413 0.300 . 1 . . . . 60 LYS CD . 11126 1 697 . 1 1 60 60 LYS CE C 13 39.695 0.300 . 1 . . . . 60 LYS CE . 11126 1 698 . 1 1 60 60 LYS CG C 13 22.055 0.300 . 1 . . . . 60 LYS CG . 11126 1 699 . 1 1 61 61 CYS H H 1 7.693 0.030 . 1 . . . . 61 CYS H . 11126 1 700 . 1 1 61 61 CYS HA H 1 4.402 0.030 . 1 . . . . 61 CYS HA . 11126 1 701 . 1 1 61 61 CYS HB2 H 1 2.763 0.030 . 2 . . . . 61 CYS HB2 . 11126 1 702 . 1 1 61 61 CYS HB3 H 1 3.204 0.030 . 2 . . . . 61 CYS HB3 . 11126 1 703 . 1 1 61 61 CYS C C 13 172.607 0.300 . 1 . . . . 61 CYS C . 11126 1 704 . 1 1 61 61 CYS CA C 13 55.883 0.300 . 1 . . . . 61 CYS CA . 11126 1 705 . 1 1 61 61 CYS CB C 13 25.432 0.300 . 1 . . . . 61 CYS CB . 11126 1 706 . 1 1 61 61 CYS N N 15 110.614 0.300 . 1 . . . . 61 CYS N . 11126 1 707 . 1 1 62 62 ASN H H 1 7.344 0.030 . 1 . . . . 62 ASN H . 11126 1 708 . 1 1 62 62 ASN HA H 1 5.164 0.030 . 1 . . . . 62 ASN HA . 11126 1 709 . 1 1 62 62 ASN HB2 H 1 2.959 0.030 . 2 . . . . 62 ASN HB2 . 11126 1 710 . 1 1 62 62 ASN HB3 H 1 3.028 0.030 . 2 . . . . 62 ASN HB3 . 11126 1 711 . 1 1 62 62 ASN HD21 H 1 7.642 0.030 . 2 . . . . 62 ASN HD21 . 11126 1 712 . 1 1 62 62 ASN HD22 H 1 6.797 0.030 . 2 . . . . 62 ASN HD22 . 11126 1 713 . 1 1 62 62 ASN C C 13 171.937 0.300 . 1 . . . . 62 ASN C . 11126 1 714 . 1 1 62 62 ASN CA C 13 48.806 0.300 . 1 . . . . 62 ASN CA . 11126 1 715 . 1 1 62 62 ASN CB C 13 35.214 0.300 . 1 . . . . 62 ASN CB . 11126 1 716 . 1 1 62 62 ASN N N 15 123.428 0.300 . 1 . . . . 62 ASN N . 11126 1 717 . 1 1 62 62 ASN ND2 N 15 113.326 0.300 . 1 . . . . 62 ASN ND2 . 11126 1 718 . 1 1 63 63 ALA H H 1 7.215 0.030 . 1 . . . . 63 ALA H . 11126 1 719 . 1 1 63 63 ALA HA H 1 4.098 0.030 . 1 . . . . 63 ALA HA . 11126 1 720 . 1 1 63 63 ALA HB1 H 1 1.479 0.030 . 1 . . . . 63 ALA HB . 11126 1 721 . 1 1 63 63 ALA HB2 H 1 1.479 0.030 . 1 . . . . 63 ALA HB . 11126 1 722 . 1 1 63 63 ALA HB3 H 1 1.479 0.030 . 1 . . . . 63 ALA HB . 11126 1 723 . 1 1 63 63 ALA C C 13 176.107 0.300 . 1 . . . . 63 ALA C . 11126 1 724 . 1 1 63 63 ALA CA C 13 54.027 0.300 . 1 . . . . 63 ALA CA . 11126 1 725 . 1 1 63 63 ALA CB C 13 17.470 0.300 . 1 . . . . 63 ALA CB . 11126 1 726 . 1 1 63 63 ALA N N 15 121.467 0.300 . 1 . . . . 63 ALA N . 11126 1 727 . 1 1 64 64 HIS H H 1 8.600 0.030 . 1 . . . . 64 HIS H . 11126 1 728 . 1 1 64 64 HIS HA H 1 3.839 0.030 . 1 . . . . 64 HIS HA . 11126 1 729 . 1 1 64 64 HIS HB2 H 1 3.048 0.030 . 1 . . . . 64 HIS HB2 . 11126 1 730 . 1 1 64 64 HIS HB3 H 1 3.048 0.030 . 1 . . . . 64 HIS HB3 . 11126 1 731 . 1 1 64 64 HIS HD2 H 1 6.782 0.030 . 1 . . . . 64 HIS HD2 . 11126 1 732 . 1 1 64 64 HIS HE1 H 1 7.677 0.030 . 1 . . . . 64 HIS HE1 . 11126 1 733 . 1 1 64 64 HIS C C 13 174.868 0.300 . 1 . . . . 64 HIS C . 11126 1 734 . 1 1 64 64 HIS CA C 13 59.420 0.300 . 1 . . . . 64 HIS CA . 11126 1 735 . 1 1 64 64 HIS CB C 13 28.571 0.300 . 1 . . . . 64 HIS CB . 11126 1 736 . 1 1 64 64 HIS CD2 C 13 115.947 0.300 . 1 . . . . 64 HIS CD2 . 11126 1 737 . 1 1 64 64 HIS CE1 C 13 135.843 0.300 . 1 . . . . 64 HIS CE1 . 11126 1 738 . 1 1 64 64 HIS N N 15 115.330 0.300 . 1 . . . . 64 HIS N . 11126 1 739 . 1 1 65 65 TYR H H 1 8.116 0.030 . 1 . . . . 65 TYR H . 11126 1 740 . 1 1 65 65 TYR HA H 1 3.906 0.030 . 1 . . . . 65 TYR HA . 11126 1 741 . 1 1 65 65 TYR HB2 H 1 3.061 0.030 . 2 . . . . 65 TYR HB2 . 11126 1 742 . 1 1 65 65 TYR HB3 H 1 2.862 0.030 . 2 . . . . 65 TYR HB3 . 11126 1 743 . 1 1 65 65 TYR HD1 H 1 7.154 0.030 . 1 . . . . 65 TYR HD1 . 11126 1 744 . 1 1 65 65 TYR HD2 H 1 7.154 0.030 . 1 . . . . 65 TYR HD2 . 11126 1 745 . 1 1 65 65 TYR HE1 H 1 6.660 0.030 . 1 . . . . 65 TYR HE1 . 11126 1 746 . 1 1 65 65 TYR HE2 H 1 6.660 0.030 . 1 . . . . 65 TYR HE2 . 11126 1 747 . 1 1 65 65 TYR C C 13 175.688 0.300 . 1 . . . . 65 TYR C . 11126 1 748 . 1 1 65 65 TYR CA C 13 59.375 0.300 . 1 . . . . 65 TYR CA . 11126 1 749 . 1 1 65 65 TYR CB C 13 36.119 0.300 . 1 . . . . 65 TYR CB . 11126 1 750 . 1 1 65 65 TYR CD1 C 13 131.294 0.300 . 1 . . . . 65 TYR CD1 . 11126 1 751 . 1 1 65 65 TYR CD2 C 13 131.294 0.300 . 1 . . . . 65 TYR CD2 . 11126 1 752 . 1 1 65 65 TYR CE1 C 13 115.634 0.300 . 1 . . . . 65 TYR CE1 . 11126 1 753 . 1 1 65 65 TYR CE2 C 13 115.634 0.300 . 1 . . . . 65 TYR CE2 . 11126 1 754 . 1 1 65 65 TYR N N 15 117.726 0.300 . 1 . . . . 65 TYR N . 11126 1 755 . 1 1 66 66 ASN H H 1 8.764 0.030 . 1 . . . . 66 ASN H . 11126 1 756 . 1 1 66 66 ASN HA H 1 4.040 0.030 . 1 . . . . 66 ASN HA . 11126 1 757 . 1 1 66 66 ASN HB2 H 1 2.197 0.030 . 2 . . . . 66 ASN HB2 . 11126 1 758 . 1 1 66 66 ASN HB3 H 1 3.420 0.030 . 2 . . . . 66 ASN HB3 . 11126 1 759 . 1 1 66 66 ASN HD21 H 1 7.291 0.030 . 2 . . . . 66 ASN HD21 . 11126 1 760 . 1 1 66 66 ASN HD22 H 1 6.908 0.030 . 2 . . . . 66 ASN HD22 . 11126 1 761 . 1 1 66 66 ASN C C 13 176.917 0.300 . 1 . . . . 66 ASN C . 11126 1 762 . 1 1 66 66 ASN CA C 13 53.527 0.300 . 1 . . . . 66 ASN CA . 11126 1 763 . 1 1 66 66 ASN CB C 13 35.681 0.300 . 1 . . . . 66 ASN CB . 11126 1 764 . 1 1 66 66 ASN N N 15 119.212 0.300 . 1 . . . . 66 ASN N . 11126 1 765 . 1 1 66 66 ASN ND2 N 15 106.940 0.300 . 1 . . . . 66 ASN ND2 . 11126 1 766 . 1 1 67 67 LEU H H 1 8.607 0.030 . 1 . . . . 67 LEU H . 11126 1 767 . 1 1 67 67 LEU HA H 1 3.287 0.030 . 1 . . . . 67 LEU HA . 11126 1 768 . 1 1 67 67 LEU HB2 H 1 1.714 0.030 . 2 . . . . 67 LEU HB2 . 11126 1 769 . 1 1 67 67 LEU HB3 H 1 0.522 0.030 . 2 . . . . 67 LEU HB3 . 11126 1 770 . 1 1 67 67 LEU HD11 H 1 1.033 0.030 . 1 . . . . 67 LEU HD1 . 11126 1 771 . 1 1 67 67 LEU HD12 H 1 1.033 0.030 . 1 . . . . 67 LEU HD1 . 11126 1 772 . 1 1 67 67 LEU HD13 H 1 1.033 0.030 . 1 . . . . 67 LEU HD1 . 11126 1 773 . 1 1 67 67 LEU HD21 H 1 1.074 0.030 . 1 . . . . 67 LEU HD2 . 11126 1 774 . 1 1 67 67 LEU HD22 H 1 1.074 0.030 . 1 . . . . 67 LEU HD2 . 11126 1 775 . 1 1 67 67 LEU HD23 H 1 1.074 0.030 . 1 . . . . 67 LEU HD2 . 11126 1 776 . 1 1 67 67 LEU HG H 1 1.605 0.030 . 1 . . . . 67 LEU HG . 11126 1 777 . 1 1 67 67 LEU C C 13 173.241 0.300 . 1 . . . . 67 LEU C . 11126 1 778 . 1 1 67 67 LEU CA C 13 55.628 0.300 . 1 . . . . 67 LEU CA . 11126 1 779 . 1 1 67 67 LEU CB C 13 39.786 0.300 . 1 . . . . 67 LEU CB . 11126 1 780 . 1 1 67 67 LEU CD1 C 13 24.166 0.300 . 2 . . . . 67 LEU CD1 . 11126 1 781 . 1 1 67 67 LEU CD2 C 13 22.843 0.300 . 2 . . . . 67 LEU CD2 . 11126 1 782 . 1 1 67 67 LEU CG C 13 25.206 0.300 . 1 . . . . 67 LEU CG . 11126 1 783 . 1 1 67 67 LEU N N 15 122.559 0.300 . 1 . . . . 67 LEU N . 11126 1 784 . 1 1 68 68 GLN H H 1 7.907 0.030 . 1 . . . . 68 GLN H . 11126 1 785 . 1 1 68 68 GLN HA H 1 3.640 0.030 . 1 . . . . 68 GLN HA . 11126 1 786 . 1 1 68 68 GLN HB2 H 1 1.799 0.030 . 1 . . . . 68 GLN HB2 . 11126 1 787 . 1 1 68 68 GLN HB3 H 1 1.799 0.030 . 1 . . . . 68 GLN HB3 . 11126 1 788 . 1 1 68 68 GLN HE21 H 1 7.112 0.030 . 2 . . . . 68 GLN HE21 . 11126 1 789 . 1 1 68 68 GLN HE22 H 1 6.889 0.030 . 2 . . . . 68 GLN HE22 . 11126 1 790 . 1 1 68 68 GLN HG2 H 1 2.086 0.030 . 2 . . . . 68 GLN HG2 . 11126 1 791 . 1 1 68 68 GLN HG3 H 1 2.251 0.030 . 2 . . . . 68 GLN HG3 . 11126 1 792 . 1 1 68 68 GLN C C 13 175.379 0.300 . 1 . . . . 68 GLN C . 11126 1 793 . 1 1 68 68 GLN CA C 13 56.486 0.300 . 1 . . . . 68 GLN CA . 11126 1 794 . 1 1 68 68 GLN CB C 13 26.544 0.300 . 1 . . . . 68 GLN CB . 11126 1 795 . 1 1 68 68 GLN CG C 13 31.486 0.300 . 1 . . . . 68 GLN CG . 11126 1 796 . 1 1 68 68 GLN N N 15 115.657 0.300 . 1 . . . . 68 GLN N . 11126 1 797 . 1 1 68 68 GLN NE2 N 15 111.465 0.300 . 1 . . . . 68 GLN NE2 . 11126 1 798 . 1 1 69 69 ASN H H 1 8.396 0.030 . 1 . . . . 69 ASN H . 11126 1 799 . 1 1 69 69 ASN HA H 1 4.042 0.030 . 1 . . . . 69 ASN HA . 11126 1 800 . 1 1 69 69 ASN HB2 H 1 2.722 0.030 . 2 . . . . 69 ASN HB2 . 11126 1 801 . 1 1 69 69 ASN HB3 H 1 2.177 0.030 . 2 . . . . 69 ASN HB3 . 11126 1 802 . 1 1 69 69 ASN HD21 H 1 6.085 0.030 . 2 . . . . 69 ASN HD21 . 11126 1 803 . 1 1 69 69 ASN HD22 H 1 7.957 0.030 . 2 . . . . 69 ASN HD22 . 11126 1 804 . 1 1 69 69 ASN C C 13 174.835 0.300 . 1 . . . . 69 ASN C . 11126 1 805 . 1 1 69 69 ASN CA C 13 55.083 0.300 . 1 . . . . 69 ASN CA . 11126 1 806 . 1 1 69 69 ASN CB C 13 37.678 0.300 . 1 . . . . 69 ASN CB . 11126 1 807 . 1 1 69 69 ASN N N 15 116.239 0.300 . 1 . . . . 69 ASN N . 11126 1 808 . 1 1 69 69 ASN ND2 N 15 112.542 0.300 . 1 . . . . 69 ASN ND2 . 11126 1 809 . 1 1 70 70 ALA H H 1 7.436 0.030 . 1 . . . . 70 ALA H . 11126 1 810 . 1 1 70 70 ALA HA H 1 3.912 0.030 . 1 . . . . 70 ALA HA . 11126 1 811 . 1 1 70 70 ALA HB1 H 1 1.424 0.030 . 1 . . . . 70 ALA HB . 11126 1 812 . 1 1 70 70 ALA HB2 H 1 1.424 0.030 . 1 . . . . 70 ALA HB . 11126 1 813 . 1 1 70 70 ALA HB3 H 1 1.424 0.030 . 1 . . . . 70 ALA HB . 11126 1 814 . 1 1 70 70 ALA C C 13 176.537 0.300 . 1 . . . . 70 ALA C . 11126 1 815 . 1 1 70 70 ALA CA C 13 53.460 0.300 . 1 . . . . 70 ALA CA . 11126 1 816 . 1 1 70 70 ALA CB C 13 15.444 0.300 . 1 . . . . 70 ALA CB . 11126 1 817 . 1 1 70 70 ALA N N 15 118.778 0.300 . 1 . . . . 70 ALA N . 11126 1 818 . 1 1 71 71 PHE H H 1 8.301 0.030 . 1 . . . . 71 PHE H . 11126 1 819 . 1 1 71 71 PHE HA H 1 4.574 0.030 . 1 . . . . 71 PHE HA . 11126 1 820 . 1 1 71 71 PHE HB2 H 1 3.058 0.030 . 1 . . . . 71 PHE HB2 . 11126 1 821 . 1 1 71 71 PHE HB3 H 1 3.058 0.030 . 1 . . . . 71 PHE HB3 . 11126 1 822 . 1 1 71 71 PHE HD1 H 1 6.784 0.030 . 1 . . . . 71 PHE HD1 . 11126 1 823 . 1 1 71 71 PHE HD2 H 1 6.784 0.030 . 1 . . . . 71 PHE HD2 . 11126 1 824 . 1 1 71 71 PHE HE1 H 1 5.799 0.030 . 1 . . . . 71 PHE HE1 . 11126 1 825 . 1 1 71 71 PHE HE2 H 1 5.799 0.030 . 1 . . . . 71 PHE HE2 . 11126 1 826 . 1 1 71 71 PHE HZ H 1 6.370 0.030 . 1 . . . . 71 PHE HZ . 11126 1 827 . 1 1 71 71 PHE C C 13 177.762 0.300 . 1 . . . . 71 PHE C . 11126 1 828 . 1 1 71 71 PHE CA C 13 54.041 0.300 . 1 . . . . 71 PHE CA . 11126 1 829 . 1 1 71 71 PHE CB C 13 33.973 0.300 . 1 . . . . 71 PHE CB . 11126 1 830 . 1 1 71 71 PHE CD1 C 13 127.565 0.300 . 1 . . . . 71 PHE CD1 . 11126 1 831 . 1 1 71 71 PHE CD2 C 13 127.565 0.300 . 1 . . . . 71 PHE CD2 . 11126 1 832 . 1 1 71 71 PHE CE1 C 13 127.636 0.300 . 1 . . . . 71 PHE CE1 . 11126 1 833 . 1 1 71 71 PHE CE2 C 13 127.636 0.300 . 1 . . . . 71 PHE CE2 . 11126 1 834 . 1 1 71 71 PHE CZ C 13 126.571 0.300 . 1 . . . . 71 PHE CZ . 11126 1 835 . 1 1 71 71 PHE N N 15 114.608 0.300 . 1 . . . . 71 PHE N . 11126 1 836 . 1 1 72 72 ASN H H 1 8.895 0.030 . 1 . . . . 72 ASN H . 11126 1 837 . 1 1 72 72 ASN HA H 1 4.569 0.030 . 1 . . . . 72 ASN HA . 11126 1 838 . 1 1 72 72 ASN HB2 H 1 2.999 0.030 . 2 . . . . 72 ASN HB2 . 11126 1 839 . 1 1 72 72 ASN HB3 H 1 2.752 0.030 . 2 . . . . 72 ASN HB3 . 11126 1 840 . 1 1 72 72 ASN HD21 H 1 6.979 0.030 . 2 . . . . 72 ASN HD21 . 11126 1 841 . 1 1 72 72 ASN HD22 H 1 7.584 0.030 . 2 . . . . 72 ASN HD22 . 11126 1 842 . 1 1 72 72 ASN C C 13 175.410 0.300 . 1 . . . . 72 ASN C . 11126 1 843 . 1 1 72 72 ASN CA C 13 53.801 0.300 . 1 . . . . 72 ASN CA . 11126 1 844 . 1 1 72 72 ASN CB C 13 35.301 0.300 . 1 . . . . 72 ASN CB . 11126 1 845 . 1 1 72 72 ASN N N 15 118.832 0.300 . 1 . . . . 72 ASN N . 11126 1 846 . 1 1 72 72 ASN ND2 N 15 111.600 0.300 . 1 . . . . 72 ASN ND2 . 11126 1 847 . 1 1 73 73 LEU H H 1 8.156 0.030 . 1 . . . . 73 LEU H . 11126 1 848 . 1 1 73 73 LEU HA H 1 4.136 0.030 . 1 . . . . 73 LEU HA . 11126 1 849 . 1 1 73 73 LEU HB2 H 1 1.996 0.030 . 2 . . . . 73 LEU HB2 . 11126 1 850 . 1 1 73 73 LEU HB3 H 1 1.384 0.030 . 2 . . . . 73 LEU HB3 . 11126 1 851 . 1 1 73 73 LEU HD11 H 1 0.925 0.030 . 1 . . . . 73 LEU HD1 . 11126 1 852 . 1 1 73 73 LEU HD12 H 1 0.925 0.030 . 1 . . . . 73 LEU HD1 . 11126 1 853 . 1 1 73 73 LEU HD13 H 1 0.925 0.030 . 1 . . . . 73 LEU HD1 . 11126 1 854 . 1 1 73 73 LEU HD21 H 1 0.954 0.030 . 1 . . . . 73 LEU HD2 . 11126 1 855 . 1 1 73 73 LEU HD22 H 1 0.954 0.030 . 1 . . . . 73 LEU HD2 . 11126 1 856 . 1 1 73 73 LEU HD23 H 1 0.954 0.030 . 1 . . . . 73 LEU HD2 . 11126 1 857 . 1 1 73 73 LEU HG H 1 1.822 0.030 . 1 . . . . 73 LEU HG . 11126 1 858 . 1 1 73 73 LEU C C 13 177.188 0.300 . 1 . . . . 73 LEU C . 11126 1 859 . 1 1 73 73 LEU CA C 13 56.197 0.300 . 1 . . . . 73 LEU CA . 11126 1 860 . 1 1 73 73 LEU CB C 13 41.057 0.300 . 1 . . . . 73 LEU CB . 11126 1 861 . 1 1 73 73 LEU CD1 C 13 24.400 0.300 . 2 . . . . 73 LEU CD1 . 11126 1 862 . 1 1 73 73 LEU CD2 C 13 22.807 0.300 . 2 . . . . 73 LEU CD2 . 11126 1 863 . 1 1 73 73 LEU CG C 13 24.821 0.300 . 1 . . . . 73 LEU CG . 11126 1 864 . 1 1 73 73 LEU N N 15 122.177 0.300 . 1 . . . . 73 LEU N . 11126 1 865 . 1 1 74 74 ALA H H 1 8.672 0.030 . 1 . . . . 74 ALA H . 11126 1 866 . 1 1 74 74 ALA HA H 1 3.713 0.030 . 1 . . . . 74 ALA HA . 11126 1 867 . 1 1 74 74 ALA HB1 H 1 1.536 0.030 . 1 . . . . 74 ALA HB . 11126 1 868 . 1 1 74 74 ALA HB2 H 1 1.536 0.030 . 1 . . . . 74 ALA HB . 11126 1 869 . 1 1 74 74 ALA HB3 H 1 1.536 0.030 . 1 . . . . 74 ALA HB . 11126 1 870 . 1 1 74 74 ALA C C 13 177.154 0.300 . 1 . . . . 74 ALA C . 11126 1 871 . 1 1 74 74 ALA CA C 13 52.807 0.300 . 1 . . . . 74 ALA CA . 11126 1 872 . 1 1 74 74 ALA CB C 13 14.989 0.300 . 1 . . . . 74 ALA CB . 11126 1 873 . 1 1 74 74 ALA N N 15 119.292 0.300 . 1 . . . . 74 ALA N . 11126 1 874 . 1 1 75 75 GLU H H 1 7.511 0.030 . 1 . . . . 75 GLU H . 11126 1 875 . 1 1 75 75 GLU HA H 1 3.951 0.030 . 1 . . . . 75 GLU HA . 11126 1 876 . 1 1 75 75 GLU HB2 H 1 2.147 0.030 . 2 . . . . 75 GLU HB2 . 11126 1 877 . 1 1 75 75 GLU HB3 H 1 2.045 0.030 . 2 . . . . 75 GLU HB3 . 11126 1 878 . 1 1 75 75 GLU HG2 H 1 1.961 0.030 . 2 . . . . 75 GLU HG2 . 11126 1 879 . 1 1 75 75 GLU HG3 H 1 1.901 0.030 . 2 . . . . 75 GLU HG3 . 11126 1 880 . 1 1 75 75 GLU C C 13 175.921 0.300 . 1 . . . . 75 GLU C . 11126 1 881 . 1 1 75 75 GLU CA C 13 57.762 0.300 . 1 . . . . 75 GLU CA . 11126 1 882 . 1 1 75 75 GLU CB C 13 28.545 0.300 . 1 . . . . 75 GLU CB . 11126 1 883 . 1 1 75 75 GLU CG C 13 34.873 0.300 . 1 . . . . 75 GLU CG . 11126 1 884 . 1 1 75 75 GLU N N 15 118.368 0.300 . 1 . . . . 75 GLU N . 11126 1 885 . 1 1 76 76 LYS H H 1 8.498 0.030 . 1 . . . . 76 LYS H . 11126 1 886 . 1 1 76 76 LYS HA H 1 3.931 0.030 . 1 . . . . 76 LYS HA . 11126 1 887 . 1 1 76 76 LYS HB2 H 1 1.780 0.030 . 2 . . . . 76 LYS HB2 . 11126 1 888 . 1 1 76 76 LYS HB3 H 1 1.975 0.030 . 2 . . . . 76 LYS HB3 . 11126 1 889 . 1 1 76 76 LYS HD2 H 1 1.617 0.030 . 1 . . . . 76 LYS HD2 . 11126 1 890 . 1 1 76 76 LYS HD3 H 1 1.617 0.030 . 1 . . . . 76 LYS HD3 . 11126 1 891 . 1 1 76 76 LYS HE2 H 1 2.919 0.030 . 1 . . . . 76 LYS HE2 . 11126 1 892 . 1 1 76 76 LYS HE3 H 1 2.919 0.030 . 1 . . . . 76 LYS HE3 . 11126 1 893 . 1 1 76 76 LYS HG2 H 1 1.453 0.030 . 2 . . . . 76 LYS HG2 . 11126 1 894 . 1 1 76 76 LYS HG3 H 1 1.354 0.030 . 2 . . . . 76 LYS HG3 . 11126 1 895 . 1 1 76 76 LYS C C 13 176.186 0.300 . 1 . . . . 76 LYS C . 11126 1 896 . 1 1 76 76 LYS CA C 13 57.005 0.300 . 1 . . . . 76 LYS CA . 11126 1 897 . 1 1 76 76 LYS CB C 13 31.184 0.300 . 1 . . . . 76 LYS CB . 11126 1 898 . 1 1 76 76 LYS CD C 13 26.798 0.300 . 1 . . . . 76 LYS CD . 11126 1 899 . 1 1 76 76 LYS CE C 13 39.599 0.300 . 1 . . . . 76 LYS CE . 11126 1 900 . 1 1 76 76 LYS CG C 13 22.725 0.300 . 1 . . . . 76 LYS CG . 11126 1 901 . 1 1 76 76 LYS N N 15 118.480 0.300 . 1 . . . . 76 LYS N . 11126 1 902 . 1 1 77 77 GLU H H 1 8.476 0.030 . 1 . . . . 77 GLU H . 11126 1 903 . 1 1 77 77 GLU HA H 1 4.521 0.030 . 1 . . . . 77 GLU HA . 11126 1 904 . 1 1 77 77 GLU HB2 H 1 2.052 0.030 . 2 . . . . 77 GLU HB2 . 11126 1 905 . 1 1 77 77 GLU HB3 H 1 1.818 0.030 . 2 . . . . 77 GLU HB3 . 11126 1 906 . 1 1 77 77 GLU HG2 H 1 2.334 0.030 . 2 . . . . 77 GLU HG2 . 11126 1 907 . 1 1 77 77 GLU HG3 H 1 2.265 0.030 . 2 . . . . 77 GLU HG3 . 11126 1 908 . 1 1 77 77 GLU C C 13 175.724 0.300 . 1 . . . . 77 GLU C . 11126 1 909 . 1 1 77 77 GLU CA C 13 54.043 0.300 . 1 . . . . 77 GLU CA . 11126 1 910 . 1 1 77 77 GLU CB C 13 27.334 0.300 . 1 . . . . 77 GLU CB . 11126 1 911 . 1 1 77 77 GLU CG C 13 32.904 0.300 . 1 . . . . 77 GLU CG . 11126 1 912 . 1 1 77 77 GLU N N 15 111.855 0.300 . 1 . . . . 77 GLU N . 11126 1 913 . 1 1 78 78 LEU H H 1 6.514 0.030 . 1 . . . . 78 LEU H . 11126 1 914 . 1 1 78 78 LEU HA H 1 4.413 0.030 . 1 . . . . 78 LEU HA . 11126 1 915 . 1 1 78 78 LEU HB2 H 1 1.765 0.030 . 2 . . . . 78 LEU HB2 . 11126 1 916 . 1 1 78 78 LEU HB3 H 1 0.553 0.030 . 2 . . . . 78 LEU HB3 . 11126 1 917 . 1 1 78 78 LEU HD11 H 1 0.525 0.030 . 1 . . . . 78 LEU HD1 . 11126 1 918 . 1 1 78 78 LEU HD12 H 1 0.525 0.030 . 1 . . . . 78 LEU HD1 . 11126 1 919 . 1 1 78 78 LEU HD13 H 1 0.525 0.030 . 1 . . . . 78 LEU HD1 . 11126 1 920 . 1 1 78 78 LEU HD21 H 1 0.751 0.030 . 1 . . . . 78 LEU HD2 . 11126 1 921 . 1 1 78 78 LEU HD22 H 1 0.751 0.030 . 1 . . . . 78 LEU HD2 . 11126 1 922 . 1 1 78 78 LEU HD23 H 1 0.751 0.030 . 1 . . . . 78 LEU HD2 . 11126 1 923 . 1 1 78 78 LEU HG H 1 1.326 0.030 . 1 . . . . 78 LEU HG . 11126 1 924 . 1 1 78 78 LEU C C 13 173.848 0.300 . 1 . . . . 78 LEU C . 11126 1 925 . 1 1 78 78 LEU CA C 13 51.192 0.300 . 1 . . . . 78 LEU CA . 11126 1 926 . 1 1 78 78 LEU CB C 13 37.846 0.300 . 1 . . . . 78 LEU CB . 11126 1 927 . 1 1 78 78 LEU CD1 C 13 23.786 0.300 . 2 . . . . 78 LEU CD1 . 11126 1 928 . 1 1 78 78 LEU CD2 C 13 19.417 0.300 . 2 . . . . 78 LEU CD2 . 11126 1 929 . 1 1 78 78 LEU CG C 13 24.544 0.300 . 1 . . . . 78 LEU CG . 11126 1 930 . 1 1 78 78 LEU N N 15 113.437 0.300 . 1 . . . . 78 LEU N . 11126 1 931 . 1 1 79 79 GLY H H 1 6.918 0.030 . 1 . . . . 79 GLY H . 11126 1 932 . 1 1 79 79 GLY HA2 H 1 3.825 0.030 . 2 . . . . 79 GLY HA2 . 11126 1 933 . 1 1 79 79 GLY HA3 H 1 3.731 0.030 . 2 . . . . 79 GLY HA3 . 11126 1 934 . 1 1 79 79 GLY C C 13 172.275 0.300 . 1 . . . . 79 GLY C . 11126 1 935 . 1 1 79 79 GLY CA C 13 43.772 0.300 . 1 . . . . 79 GLY CA . 11126 1 936 . 1 1 79 79 GLY N N 15 105.985 0.300 . 1 . . . . 79 GLY N . 11126 1 937 . 1 1 80 80 LEU H H 1 7.745 0.030 . 1 . . . . 80 LEU H . 11126 1 938 . 1 1 80 80 LEU HA H 1 4.239 0.030 . 1 . . . . 80 LEU HA . 11126 1 939 . 1 1 80 80 LEU HB2 H 1 1.090 0.030 . 2 . . . . 80 LEU HB2 . 11126 1 940 . 1 1 80 80 LEU HB3 H 1 1.285 0.030 . 2 . . . . 80 LEU HB3 . 11126 1 941 . 1 1 80 80 LEU HD11 H 1 0.079 0.030 . 1 . . . . 80 LEU HD1 . 11126 1 942 . 1 1 80 80 LEU HD12 H 1 0.079 0.030 . 1 . . . . 80 LEU HD1 . 11126 1 943 . 1 1 80 80 LEU HD13 H 1 0.079 0.030 . 1 . . . . 80 LEU HD1 . 11126 1 944 . 1 1 80 80 LEU HD21 H 1 0.445 0.030 . 1 . . . . 80 LEU HD2 . 11126 1 945 . 1 1 80 80 LEU HD22 H 1 0.445 0.030 . 1 . . . . 80 LEU HD2 . 11126 1 946 . 1 1 80 80 LEU HD23 H 1 0.445 0.030 . 1 . . . . 80 LEU HD2 . 11126 1 947 . 1 1 80 80 LEU HG H 1 0.794 0.030 . 1 . . . . 80 LEU HG . 11126 1 948 . 1 1 80 80 LEU C C 13 172.425 0.300 . 1 . . . . 80 LEU C . 11126 1 949 . 1 1 80 80 LEU CA C 13 51.260 0.300 . 1 . . . . 80 LEU CA . 11126 1 950 . 1 1 80 80 LEU CB C 13 37.821 0.300 . 1 . . . . 80 LEU CB . 11126 1 951 . 1 1 80 80 LEU CD1 C 13 22.891 0.300 . 2 . . . . 80 LEU CD1 . 11126 1 952 . 1 1 80 80 LEU CD2 C 13 20.445 0.300 . 2 . . . . 80 LEU CD2 . 11126 1 953 . 1 1 80 80 LEU CG C 13 23.126 0.300 . 1 . . . . 80 LEU CG . 11126 1 954 . 1 1 80 80 LEU N N 15 121.968 0.300 . 1 . . . . 80 LEU N . 11126 1 955 . 1 1 81 81 THR H H 1 7.662 0.030 . 1 . . . . 81 THR H . 11126 1 956 . 1 1 81 81 THR HA H 1 3.796 0.030 . 1 . . . . 81 THR HA . 11126 1 957 . 1 1 81 81 THR HB H 1 3.701 0.030 . 1 . . . . 81 THR HB . 11126 1 958 . 1 1 81 81 THR HG21 H 1 1.050 0.030 . 1 . . . . 81 THR HG2 . 11126 1 959 . 1 1 81 81 THR HG22 H 1 1.050 0.030 . 1 . . . . 81 THR HG2 . 11126 1 960 . 1 1 81 81 THR HG23 H 1 1.050 0.030 . 1 . . . . 81 THR HG2 . 11126 1 961 . 1 1 81 81 THR C C 13 171.665 0.300 . 1 . . . . 81 THR C . 11126 1 962 . 1 1 81 81 THR CA C 13 61.278 0.300 . 1 . . . . 81 THR CA . 11126 1 963 . 1 1 81 81 THR CB C 13 67.468 0.300 . 1 . . . . 81 THR CB . 11126 1 964 . 1 1 81 81 THR CG2 C 13 19.573 0.300 . 1 . . . . 81 THR CG2 . 11126 1 965 . 1 1 81 81 THR N N 15 121.183 0.300 . 1 . . . . 81 THR N . 11126 1 966 . 1 1 82 82 LYS H H 1 8.589 0.030 . 1 . . . . 82 LYS H . 11126 1 967 . 1 1 82 82 LYS HA H 1 4.293 0.030 . 1 . . . . 82 LYS HA . 11126 1 968 . 1 1 82 82 LYS HB2 H 1 1.540 0.030 . 2 . . . . 82 LYS HB2 . 11126 1 969 . 1 1 82 82 LYS HB3 H 1 1.487 0.030 . 2 . . . . 82 LYS HB3 . 11126 1 970 . 1 1 82 82 LYS HD2 H 1 1.646 0.030 . 1 . . . . 82 LYS HD2 . 11126 1 971 . 1 1 82 82 LYS HD3 H 1 1.646 0.030 . 1 . . . . 82 LYS HD3 . 11126 1 972 . 1 1 82 82 LYS HE2 H 1 2.919 0.030 . 1 . . . . 82 LYS HE2 . 11126 1 973 . 1 1 82 82 LYS HE3 H 1 2.919 0.030 . 1 . . . . 82 LYS HE3 . 11126 1 974 . 1 1 82 82 LYS HG2 H 1 1.350 0.030 . 2 . . . . 82 LYS HG2 . 11126 1 975 . 1 1 82 82 LYS HG3 H 1 1.282 0.030 . 2 . . . . 82 LYS HG3 . 11126 1 976 . 1 1 82 82 LYS C C 13 173.647 0.300 . 1 . . . . 82 LYS C . 11126 1 977 . 1 1 82 82 LYS CA C 13 54.334 0.300 . 1 . . . . 82 LYS CA . 11126 1 978 . 1 1 82 82 LYS CB C 13 28.907 0.300 . 1 . . . . 82 LYS CB . 11126 1 979 . 1 1 82 82 LYS CD C 13 27.456 0.300 . 1 . . . . 82 LYS CD . 11126 1 980 . 1 1 82 82 LYS CE C 13 39.578 0.300 . 1 . . . . 82 LYS CE . 11126 1 981 . 1 1 82 82 LYS CG C 13 22.855 0.300 . 1 . . . . 82 LYS CG . 11126 1 982 . 1 1 82 82 LYS N N 15 126.194 0.300 . 1 . . . . 82 LYS N . 11126 1 983 . 1 1 83 83 LEU H H 1 6.428 0.030 . 1 . . . . 83 LEU H . 11126 1 984 . 1 1 83 83 LEU HA H 1 4.099 0.030 . 1 . . . . 83 LEU HA . 11126 1 985 . 1 1 83 83 LEU HB2 H 1 1.511 0.030 . 2 . . . . 83 LEU HB2 . 11126 1 986 . 1 1 83 83 LEU HB3 H 1 1.177 0.030 . 2 . . . . 83 LEU HB3 . 11126 1 987 . 1 1 83 83 LEU HD11 H 1 0.838 0.030 . 1 . . . . 83 LEU HD1 . 11126 1 988 . 1 1 83 83 LEU HD12 H 1 0.838 0.030 . 1 . . . . 83 LEU HD1 . 11126 1 989 . 1 1 83 83 LEU HD13 H 1 0.838 0.030 . 1 . . . . 83 LEU HD1 . 11126 1 990 . 1 1 83 83 LEU HD21 H 1 0.690 0.030 . 1 . . . . 83 LEU HD2 . 11126 1 991 . 1 1 83 83 LEU HD22 H 1 0.690 0.030 . 1 . . . . 83 LEU HD2 . 11126 1 992 . 1 1 83 83 LEU HD23 H 1 0.690 0.030 . 1 . . . . 83 LEU HD2 . 11126 1 993 . 1 1 83 83 LEU HG H 1 1.644 0.030 . 1 . . . . 83 LEU HG . 11126 1 994 . 1 1 83 83 LEU C C 13 173.579 0.300 . 1 . . . . 83 LEU C . 11126 1 995 . 1 1 83 83 LEU CA C 13 52.910 0.300 . 1 . . . . 83 LEU CA . 11126 1 996 . 1 1 83 83 LEU CB C 13 41.105 0.300 . 1 . . . . 83 LEU CB . 11126 1 997 . 1 1 83 83 LEU CD1 C 13 23.242 0.300 . 2 . . . . 83 LEU CD1 . 11126 1 998 . 1 1 83 83 LEU CD2 C 13 19.790 0.300 . 2 . . . . 83 LEU CD2 . 11126 1 999 . 1 1 83 83 LEU CG C 13 23.929 0.300 . 1 . . . . 83 LEU CG . 11126 1 1000 . 1 1 83 83 LEU N N 15 123.906 0.300 . 1 . . . . 83 LEU N . 11126 1 1001 . 1 1 84 84 LEU H H 1 7.116 0.030 . 1 . . . . 84 LEU H . 11126 1 1002 . 1 1 84 84 LEU HA H 1 4.254 0.030 . 1 . . . . 84 LEU HA . 11126 1 1003 . 1 1 84 84 LEU HB2 H 1 0.202 0.030 . 2 . . . . 84 LEU HB2 . 11126 1 1004 . 1 1 84 84 LEU HB3 H 1 0.677 0.030 . 2 . . . . 84 LEU HB3 . 11126 1 1005 . 1 1 84 84 LEU HD11 H 1 0.389 0.030 . 1 . . . . 84 LEU HD1 . 11126 1 1006 . 1 1 84 84 LEU HD12 H 1 0.389 0.030 . 1 . . . . 84 LEU HD1 . 11126 1 1007 . 1 1 84 84 LEU HD13 H 1 0.389 0.030 . 1 . . . . 84 LEU HD1 . 11126 1 1008 . 1 1 84 84 LEU HD21 H 1 0.462 0.030 . 1 . . . . 84 LEU HD2 . 11126 1 1009 . 1 1 84 84 LEU HD22 H 1 0.462 0.030 . 1 . . . . 84 LEU HD2 . 11126 1 1010 . 1 1 84 84 LEU HD23 H 1 0.462 0.030 . 1 . . . . 84 LEU HD2 . 11126 1 1011 . 1 1 84 84 LEU HG H 1 1.011 0.030 . 1 . . . . 84 LEU HG . 11126 1 1012 . 1 1 84 84 LEU C C 13 172.548 0.300 . 1 . . . . 84 LEU C . 11126 1 1013 . 1 1 84 84 LEU CA C 13 49.594 0.300 . 1 . . . . 84 LEU CA . 11126 1 1014 . 1 1 84 84 LEU CB C 13 42.004 0.300 . 1 . . . . 84 LEU CB . 11126 1 1015 . 1 1 84 84 LEU CD1 C 13 24.283 0.300 . 2 . . . . 84 LEU CD1 . 11126 1 1016 . 1 1 84 84 LEU CD2 C 13 20.847 0.300 . 2 . . . . 84 LEU CD2 . 11126 1 1017 . 1 1 84 84 LEU CG C 13 24.231 0.300 . 1 . . . . 84 LEU CG . 11126 1 1018 . 1 1 84 84 LEU N N 15 116.010 0.300 . 1 . . . . 84 LEU N . 11126 1 1019 . 1 1 85 85 ASP H H 1 8.769 0.030 . 1 . . . . 85 ASP H . 11126 1 1020 . 1 1 85 85 ASP HA H 1 5.063 0.030 . 1 . . . . 85 ASP HA . 11126 1 1021 . 1 1 85 85 ASP HB2 H 1 2.744 0.030 . 2 . . . . 85 ASP HB2 . 11126 1 1022 . 1 1 85 85 ASP HB3 H 1 2.324 0.030 . 2 . . . . 85 ASP HB3 . 11126 1 1023 . 1 1 85 85 ASP C C 13 174.082 0.300 . 1 . . . . 85 ASP C . 11126 1 1024 . 1 1 85 85 ASP CA C 13 49.053 0.300 . 1 . . . . 85 ASP CA . 11126 1 1025 . 1 1 85 85 ASP CB C 13 39.748 0.300 . 1 . . . . 85 ASP CB . 11126 1 1026 . 1 1 85 85 ASP N N 15 121.996 0.300 . 1 . . . . 85 ASP N . 11126 1 1027 . 1 1 86 86 PRO HA H 1 3.996 0.030 . 1 . . . . 86 PRO HA . 11126 1 1028 . 1 1 86 86 PRO HB2 H 1 1.685 0.030 . 2 . . . . 86 PRO HB2 . 11126 1 1029 . 1 1 86 86 PRO HB3 H 1 1.977 0.030 . 2 . . . . 86 PRO HB3 . 11126 1 1030 . 1 1 86 86 PRO HD2 H 1 3.935 0.030 . 1 . . . . 86 PRO HD2 . 11126 1 1031 . 1 1 86 86 PRO HD3 H 1 3.935 0.030 . 1 . . . . 86 PRO HD3 . 11126 1 1032 . 1 1 86 86 PRO HG2 H 1 1.499 0.030 . 2 . . . . 86 PRO HG2 . 11126 1 1033 . 1 1 86 86 PRO HG3 H 1 1.940 0.030 . 2 . . . . 86 PRO HG3 . 11126 1 1034 . 1 1 86 86 PRO C C 13 175.626 0.300 . 1 . . . . 86 PRO C . 11126 1 1035 . 1 1 86 86 PRO CA C 13 64.224 0.300 . 1 . . . . 86 PRO CA . 11126 1 1036 . 1 1 86 86 PRO CB C 13 30.010 0.300 . 1 . . . . 86 PRO CB . 11126 1 1037 . 1 1 86 86 PRO CD C 13 48.287 0.300 . 1 . . . . 86 PRO CD . 11126 1 1038 . 1 1 86 86 PRO CG C 13 25.682 0.300 . 1 . . . . 86 PRO CG . 11126 1 1039 . 1 1 87 87 GLU H H 1 9.511 0.030 . 1 . . . . 87 GLU H . 11126 1 1040 . 1 1 87 87 GLU HA H 1 4.094 0.030 . 1 . . . . 87 GLU HA . 11126 1 1041 . 1 1 87 87 GLU HB2 H 1 1.936 0.030 . 2 . . . . 87 GLU HB2 . 11126 1 1042 . 1 1 87 87 GLU HB3 H 1 1.986 0.030 . 2 . . . . 87 GLU HB3 . 11126 1 1043 . 1 1 87 87 GLU HG2 H 1 2.313 0.030 . 2 . . . . 87 GLU HG2 . 11126 1 1044 . 1 1 87 87 GLU HG3 H 1 2.387 0.030 . 2 . . . . 87 GLU HG3 . 11126 1 1045 . 1 1 87 87 GLU C C 13 174.912 0.300 . 1 . . . . 87 GLU C . 11126 1 1046 . 1 1 87 87 GLU CA C 13 56.873 0.300 . 1 . . . . 87 GLU CA . 11126 1 1047 . 1 1 87 87 GLU CB C 13 26.682 0.300 . 1 . . . . 87 GLU CB . 11126 1 1048 . 1 1 87 87 GLU CG C 13 34.858 0.300 . 1 . . . . 87 GLU CG . 11126 1 1049 . 1 1 87 87 GLU N N 15 115.390 0.300 . 1 . . . . 87 GLU N . 11126 1 1050 . 1 1 88 88 ASP H H 1 7.686 0.030 . 1 . . . . 88 ASP H . 11126 1 1051 . 1 1 88 88 ASP HA H 1 4.523 0.030 . 1 . . . . 88 ASP HA . 11126 1 1052 . 1 1 88 88 ASP HB2 H 1 2.708 0.030 . 2 . . . . 88 ASP HB2 . 11126 1 1053 . 1 1 88 88 ASP HB3 H 1 2.817 0.030 . 2 . . . . 88 ASP HB3 . 11126 1 1054 . 1 1 88 88 ASP C C 13 174.104 0.300 . 1 . . . . 88 ASP C . 11126 1 1055 . 1 1 88 88 ASP CA C 13 53.327 0.300 . 1 . . . . 88 ASP CA . 11126 1 1056 . 1 1 88 88 ASP CB C 13 39.744 0.300 . 1 . . . . 88 ASP CB . 11126 1 1057 . 1 1 88 88 ASP N N 15 115.066 0.300 . 1 . . . . 88 ASP N . 11126 1 1058 . 1 1 89 89 VAL H H 1 7.276 0.030 . 1 . . . . 89 VAL H . 11126 1 1059 . 1 1 89 89 VAL HA H 1 4.057 0.030 . 1 . . . . 89 VAL HA . 11126 1 1060 . 1 1 89 89 VAL HB H 1 2.128 0.030 . 1 . . . . 89 VAL HB . 11126 1 1061 . 1 1 89 89 VAL HG11 H 1 1.216 0.030 . 1 . . . . 89 VAL HG1 . 11126 1 1062 . 1 1 89 89 VAL HG12 H 1 1.216 0.030 . 1 . . . . 89 VAL HG1 . 11126 1 1063 . 1 1 89 89 VAL HG13 H 1 1.216 0.030 . 1 . . . . 89 VAL HG1 . 11126 1 1064 . 1 1 89 89 VAL HG21 H 1 1.036 0.030 . 1 . . . . 89 VAL HG2 . 11126 1 1065 . 1 1 89 89 VAL HG22 H 1 1.036 0.030 . 1 . . . . 89 VAL HG2 . 11126 1 1066 . 1 1 89 89 VAL HG23 H 1 1.036 0.030 . 1 . . . . 89 VAL HG2 . 11126 1 1067 . 1 1 89 89 VAL C C 13 173.148 0.300 . 1 . . . . 89 VAL C . 11126 1 1068 . 1 1 89 89 VAL CA C 13 61.465 0.300 . 1 . . . . 89 VAL CA . 11126 1 1069 . 1 1 89 89 VAL CB C 13 31.541 0.300 . 1 . . . . 89 VAL CB . 11126 1 1070 . 1 1 89 89 VAL CG1 C 13 21.423 0.300 . 2 . . . . 89 VAL CG1 . 11126 1 1071 . 1 1 89 89 VAL CG2 C 13 21.594 0.300 . 2 . . . . 89 VAL CG2 . 11126 1 1072 . 1 1 89 89 VAL N N 15 117.164 0.300 . 1 . . . . 89 VAL N . 11126 1 1073 . 1 1 90 90 ASN H H 1 7.874 0.030 . 1 . . . . 90 ASN H . 11126 1 1074 . 1 1 90 90 ASN HA H 1 5.073 0.030 . 1 . . . . 90 ASN HA . 11126 1 1075 . 1 1 90 90 ASN HB2 H 1 2.826 0.030 . 2 . . . . 90 ASN HB2 . 11126 1 1076 . 1 1 90 90 ASN HB3 H 1 2.436 0.030 . 2 . . . . 90 ASN HB3 . 11126 1 1077 . 1 1 90 90 ASN HD21 H 1 8.029 0.030 . 2 . . . . 90 ASN HD21 . 11126 1 1078 . 1 1 90 90 ASN HD22 H 1 6.820 0.030 . 2 . . . . 90 ASN HD22 . 11126 1 1079 . 1 1 90 90 ASN C C 13 172.220 0.300 . 1 . . . . 90 ASN C . 11126 1 1080 . 1 1 90 90 ASN CA C 13 49.655 0.300 . 1 . . . . 90 ASN CA . 11126 1 1081 . 1 1 90 90 ASN CB C 13 33.783 0.300 . 1 . . . . 90 ASN CB . 11126 1 1082 . 1 1 90 90 ASN N N 15 117.165 0.300 . 1 . . . . 90 ASN N . 11126 1 1083 . 1 1 90 90 ASN ND2 N 15 111.063 0.300 . 1 . . . . 90 ASN ND2 . 11126 1 1084 . 1 1 91 91 VAL H H 1 8.094 0.030 . 1 . . . . 91 VAL H . 11126 1 1085 . 1 1 91 91 VAL HA H 1 4.447 0.030 . 1 . . . . 91 VAL HA . 11126 1 1086 . 1 1 91 91 VAL HB H 1 2.167 0.030 . 1 . . . . 91 VAL HB . 11126 1 1087 . 1 1 91 91 VAL HG11 H 1 0.442 0.030 . 1 . . . . 91 VAL HG1 . 11126 1 1088 . 1 1 91 91 VAL HG12 H 1 0.442 0.030 . 1 . . . . 91 VAL HG1 . 11126 1 1089 . 1 1 91 91 VAL HG13 H 1 0.442 0.030 . 1 . . . . 91 VAL HG1 . 11126 1 1090 . 1 1 91 91 VAL HG21 H 1 0.775 0.030 . 1 . . . . 91 VAL HG2 . 11126 1 1091 . 1 1 91 91 VAL HG22 H 1 0.775 0.030 . 1 . . . . 91 VAL HG2 . 11126 1 1092 . 1 1 91 91 VAL HG23 H 1 0.775 0.030 . 1 . . . . 91 VAL HG2 . 11126 1 1093 . 1 1 91 91 VAL C C 13 172.339 0.300 . 1 . . . . 91 VAL C . 11126 1 1094 . 1 1 91 91 VAL CA C 13 56.933 0.300 . 1 . . . . 91 VAL CA . 11126 1 1095 . 1 1 91 91 VAL CB C 13 33.403 0.300 . 1 . . . . 91 VAL CB . 11126 1 1096 . 1 1 91 91 VAL CG1 C 13 14.957 0.300 . 2 . . . . 91 VAL CG1 . 11126 1 1097 . 1 1 91 91 VAL CG2 C 13 19.911 0.300 . 2 . . . . 91 VAL CG2 . 11126 1 1098 . 1 1 91 91 VAL N N 15 116.072 0.300 . 1 . . . . 91 VAL N . 11126 1 1099 . 1 1 92 92 ASP H H 1 8.282 0.030 . 1 . . . . 92 ASP H . 11126 1 1100 . 1 1 92 92 ASP HA H 1 4.278 0.030 . 1 . . . . 92 ASP HA . 11126 1 1101 . 1 1 92 92 ASP HB2 H 1 2.550 0.030 . 2 . . . . 92 ASP HB2 . 11126 1 1102 . 1 1 92 92 ASP HB3 H 1 2.629 0.030 . 2 . . . . 92 ASP HB3 . 11126 1 1103 . 1 1 92 92 ASP C C 13 175.018 0.300 . 1 . . . . 92 ASP C . 11126 1 1104 . 1 1 92 92 ASP CA C 13 55.257 0.300 . 1 . . . . 92 ASP CA . 11126 1 1105 . 1 1 92 92 ASP CB C 13 38.500 0.300 . 1 . . . . 92 ASP CB . 11126 1 1106 . 1 1 92 92 ASP N N 15 118.636 0.300 . 1 . . . . 92 ASP N . 11126 1 1107 . 1 1 93 93 GLN H H 1 8.023 0.030 . 1 . . . . 93 GLN H . 11126 1 1108 . 1 1 93 93 GLN HA H 1 4.745 0.030 . 1 . . . . 93 GLN HA . 11126 1 1109 . 1 1 93 93 GLN HB2 H 1 1.866 0.030 . 2 . . . . 93 GLN HB2 . 11126 1 1110 . 1 1 93 93 GLN HB3 H 1 2.014 0.030 . 2 . . . . 93 GLN HB3 . 11126 1 1111 . 1 1 93 93 GLN HE21 H 1 7.483 0.030 . 2 . . . . 93 GLN HE21 . 11126 1 1112 . 1 1 93 93 GLN HE22 H 1 6.769 0.030 . 2 . . . . 93 GLN HE22 . 11126 1 1113 . 1 1 93 93 GLN HG2 H 1 2.210 0.030 . 1 . . . . 93 GLN HG2 . 11126 1 1114 . 1 1 93 93 GLN HG3 H 1 2.210 0.030 . 1 . . . . 93 GLN HG3 . 11126 1 1115 . 1 1 93 93 GLN C C 13 169.610 0.300 . 1 . . . . 93 GLN C . 11126 1 1116 . 1 1 93 93 GLN CA C 13 50.192 0.300 . 1 . . . . 93 GLN CA . 11126 1 1117 . 1 1 93 93 GLN CB C 13 26.777 0.300 . 1 . . . . 93 GLN CB . 11126 1 1118 . 1 1 93 93 GLN CG C 13 31.227 0.300 . 1 . . . . 93 GLN CG . 11126 1 1119 . 1 1 93 93 GLN N N 15 114.968 0.300 . 1 . . . . 93 GLN N . 11126 1 1120 . 1 1 93 93 GLN NE2 N 15 111.513 0.300 . 1 . . . . 93 GLN NE2 . 11126 1 1121 . 1 1 94 94 PRO HA H 1 4.139 0.030 . 1 . . . . 94 PRO HA . 11126 1 1122 . 1 1 94 94 PRO HB2 H 1 1.702 0.030 . 2 . . . . 94 PRO HB2 . 11126 1 1123 . 1 1 94 94 PRO HB3 H 1 2.449 0.030 . 2 . . . . 94 PRO HB3 . 11126 1 1124 . 1 1 94 94 PRO HD2 H 1 3.291 0.030 . 2 . . . . 94 PRO HD2 . 11126 1 1125 . 1 1 94 94 PRO HD3 H 1 3.679 0.030 . 2 . . . . 94 PRO HD3 . 11126 1 1126 . 1 1 94 94 PRO HG2 H 1 2.333 0.030 . 2 . . . . 94 PRO HG2 . 11126 1 1127 . 1 1 94 94 PRO HG3 H 1 1.734 0.030 . 2 . . . . 94 PRO HG3 . 11126 1 1128 . 1 1 94 94 PRO C C 13 172.668 0.300 . 1 . . . . 94 PRO C . 11126 1 1129 . 1 1 94 94 PRO CA C 13 60.370 0.300 . 1 . . . . 94 PRO CA . 11126 1 1130 . 1 1 94 94 PRO CB C 13 30.836 0.300 . 1 . . . . 94 PRO CB . 11126 1 1131 . 1 1 94 94 PRO CD C 13 47.716 0.300 . 1 . . . . 94 PRO CD . 11126 1 1132 . 1 1 94 94 PRO CG C 13 24.653 0.300 . 1 . . . . 94 PRO CG . 11126 1 1133 . 1 1 95 95 ASP H H 1 8.764 0.030 . 1 . . . . 95 ASP H . 11126 1 1134 . 1 1 95 95 ASP HA H 1 4.474 0.030 . 1 . . . . 95 ASP HA . 11126 1 1135 . 1 1 95 95 ASP HB2 H 1 2.609 0.030 . 2 . . . . 95 ASP HB2 . 11126 1 1136 . 1 1 95 95 ASP HB3 H 1 2.729 0.030 . 2 . . . . 95 ASP HB3 . 11126 1 1137 . 1 1 95 95 ASP C C 13 172.806 0.300 . 1 . . . . 95 ASP C . 11126 1 1138 . 1 1 95 95 ASP CA C 13 51.943 0.300 . 1 . . . . 95 ASP CA . 11126 1 1139 . 1 1 95 95 ASP CB C 13 39.441 0.300 . 1 . . . . 95 ASP CB . 11126 1 1140 . 1 1 95 95 ASP N N 15 120.313 0.300 . 1 . . . . 95 ASP N . 11126 1 1141 . 1 1 96 96 GLU H H 1 8.373 0.030 . 1 . . . . 96 GLU H . 11126 1 1142 . 1 1 96 96 GLU HA H 1 4.108 0.030 . 1 . . . . 96 GLU HA . 11126 1 1143 . 1 1 96 96 GLU HB2 H 1 1.905 0.030 . 1 . . . . 96 GLU HB2 . 11126 1 1144 . 1 1 96 96 GLU HB3 H 1 1.905 0.030 . 1 . . . . 96 GLU HB3 . 11126 1 1145 . 1 1 96 96 GLU HG2 H 1 2.172 0.030 . 2 . . . . 96 GLU HG2 . 11126 1 1146 . 1 1 96 96 GLU HG3 H 1 2.091 0.030 . 2 . . . . 96 GLU HG3 . 11126 1 1147 . 1 1 96 96 GLU C C 13 175.316 0.300 . 1 . . . . 96 GLU C . 11126 1 1148 . 1 1 96 96 GLU CA C 13 56.539 0.300 . 1 . . . . 96 GLU CA . 11126 1 1149 . 1 1 96 96 GLU CB C 13 28.589 0.300 . 1 . . . . 96 GLU CB . 11126 1 1150 . 1 1 96 96 GLU CG C 13 34.473 0.300 . 1 . . . . 96 GLU CG . 11126 1 1151 . 1 1 96 96 GLU N N 15 129.295 0.300 . 1 . . . . 96 GLU N . 11126 1 1152 . 1 1 97 97 LYS H H 1 8.191 0.030 . 1 . . . . 97 LYS H . 11126 1 1153 . 1 1 97 97 LYS HA H 1 3.725 0.030 . 1 . . . . 97 LYS HA . 11126 1 1154 . 1 1 97 97 LYS HB2 H 1 1.769 0.030 . 2 . . . . 97 LYS HB2 . 11126 1 1155 . 1 1 97 97 LYS HB3 H 1 1.836 0.030 . 2 . . . . 97 LYS HB3 . 11126 1 1156 . 1 1 97 97 LYS HD2 H 1 1.586 0.030 . 1 . . . . 97 LYS HD2 . 11126 1 1157 . 1 1 97 97 LYS HD3 H 1 1.586 0.030 . 1 . . . . 97 LYS HD3 . 11126 1 1158 . 1 1 97 97 LYS HE2 H 1 2.892 0.030 . 1 . . . . 97 LYS HE2 . 11126 1 1159 . 1 1 97 97 LYS HE3 H 1 2.892 0.030 . 1 . . . . 97 LYS HE3 . 11126 1 1160 . 1 1 97 97 LYS HG2 H 1 1.292 0.030 . 2 . . . . 97 LYS HG2 . 11126 1 1161 . 1 1 97 97 LYS HG3 H 1 1.384 0.030 . 2 . . . . 97 LYS HG3 . 11126 1 1162 . 1 1 97 97 LYS C C 13 177.357 0.300 . 1 . . . . 97 LYS C . 11126 1 1163 . 1 1 97 97 LYS CA C 13 57.590 0.300 . 1 . . . . 97 LYS CA . 11126 1 1164 . 1 1 97 97 LYS CB C 13 29.286 0.300 . 1 . . . . 97 LYS CB . 11126 1 1165 . 1 1 97 97 LYS CD C 13 26.753 0.300 . 1 . . . . 97 LYS CD . 11126 1 1166 . 1 1 97 97 LYS CE C 13 39.695 0.300 . 1 . . . . 97 LYS CE . 11126 1 1167 . 1 1 97 97 LYS CG C 13 22.649 0.300 . 1 . . . . 97 LYS CG . 11126 1 1168 . 1 1 97 97 LYS N N 15 116.523 0.300 . 1 . . . . 97 LYS N . 11126 1 1169 . 1 1 98 98 SER H H 1 7.786 0.030 . 1 . . . . 98 SER H . 11126 1 1170 . 1 1 98 98 SER HA H 1 4.052 0.030 . 1 . . . . 98 SER HA . 11126 1 1171 . 1 1 98 98 SER HB2 H 1 3.722 0.030 . 2 . . . . 98 SER HB2 . 11126 1 1172 . 1 1 98 98 SER HB3 H 1 3.843 0.030 . 2 . . . . 98 SER HB3 . 11126 1 1173 . 1 1 98 98 SER C C 13 173.943 0.300 . 1 . . . . 98 SER C . 11126 1 1174 . 1 1 98 98 SER CA C 13 59.554 0.300 . 1 . . . . 98 SER CA . 11126 1 1175 . 1 1 98 98 SER CB C 13 59.906 0.300 . 1 . . . . 98 SER CB . 11126 1 1176 . 1 1 98 98 SER N N 15 115.918 0.300 . 1 . . . . 98 SER N . 11126 1 1177 . 1 1 99 99 ILE H H 1 7.564 0.030 . 1 . . . . 99 ILE H . 11126 1 1178 . 1 1 99 99 ILE HA H 1 3.512 0.030 . 1 . . . . 99 ILE HA . 11126 1 1179 . 1 1 99 99 ILE HB H 1 2.201 0.030 . 1 . . . . 99 ILE HB . 11126 1 1180 . 1 1 99 99 ILE HD11 H 1 0.891 0.030 . 1 . . . . 99 ILE HD1 . 11126 1 1181 . 1 1 99 99 ILE HD12 H 1 0.891 0.030 . 1 . . . . 99 ILE HD1 . 11126 1 1182 . 1 1 99 99 ILE HD13 H 1 0.891 0.030 . 1 . . . . 99 ILE HD1 . 11126 1 1183 . 1 1 99 99 ILE HG12 H 1 1.720 0.030 . 2 . . . . 99 ILE HG12 . 11126 1 1184 . 1 1 99 99 ILE HG13 H 1 0.965 0.030 . 2 . . . . 99 ILE HG13 . 11126 1 1185 . 1 1 99 99 ILE HG21 H 1 0.158 0.030 . 1 . . . . 99 ILE HG2 . 11126 1 1186 . 1 1 99 99 ILE HG22 H 1 0.158 0.030 . 1 . . . . 99 ILE HG2 . 11126 1 1187 . 1 1 99 99 ILE HG23 H 1 0.158 0.030 . 1 . . . . 99 ILE HG2 . 11126 1 1188 . 1 1 99 99 ILE C C 13 175.426 0.300 . 1 . . . . 99 ILE C . 11126 1 1189 . 1 1 99 99 ILE CA C 13 63.835 0.300 . 1 . . . . 99 ILE CA . 11126 1 1190 . 1 1 99 99 ILE CB C 13 34.151 0.300 . 1 . . . . 99 ILE CB . 11126 1 1191 . 1 1 99 99 ILE CD1 C 13 11.091 0.300 . 1 . . . . 99 ILE CD1 . 11126 1 1192 . 1 1 99 99 ILE CG1 C 13 27.523 0.300 . 1 . . . . 99 ILE CG1 . 11126 1 1193 . 1 1 99 99 ILE CG2 C 13 14.883 0.300 . 1 . . . . 99 ILE CG2 . 11126 1 1194 . 1 1 99 99 ILE N N 15 123.608 0.300 . 1 . . . . 99 ILE N . 11126 1 1195 . 1 1 100 100 ILE H H 1 8.516 0.030 . 1 . . . . 100 ILE H . 11126 1 1196 . 1 1 100 100 ILE HA H 1 2.658 0.030 . 1 . . . . 100 ILE HA . 11126 1 1197 . 1 1 100 100 ILE HB H 1 1.388 0.030 . 1 . . . . 100 ILE HB . 11126 1 1198 . 1 1 100 100 ILE HD11 H 1 0.428 0.030 . 1 . . . . 100 ILE HD1 . 11126 1 1199 . 1 1 100 100 ILE HD12 H 1 0.428 0.030 . 1 . . . . 100 ILE HD1 . 11126 1 1200 . 1 1 100 100 ILE HD13 H 1 0.428 0.030 . 1 . . . . 100 ILE HD1 . 11126 1 1201 . 1 1 100 100 ILE HG12 H 1 -0.632 0.030 . 2 . . . . 100 ILE HG12 . 11126 1 1202 . 1 1 100 100 ILE HG13 H 1 1.146 0.030 . 2 . . . . 100 ILE HG13 . 11126 1 1203 . 1 1 100 100 ILE HG21 H 1 0.348 0.030 . 1 . . . . 100 ILE HG2 . 11126 1 1204 . 1 1 100 100 ILE HG22 H 1 0.348 0.030 . 1 . . . . 100 ILE HG2 . 11126 1 1205 . 1 1 100 100 ILE HG23 H 1 0.348 0.030 . 1 . . . . 100 ILE HG2 . 11126 1 1206 . 1 1 100 100 ILE C C 13 174.656 0.300 . 1 . . . . 100 ILE C . 11126 1 1207 . 1 1 100 100 ILE CA C 13 64.255 0.300 . 1 . . . . 100 ILE CA . 11126 1 1208 . 1 1 100 100 ILE CB C 13 35.219 0.300 . 1 . . . . 100 ILE CB . 11126 1 1209 . 1 1 100 100 ILE CD1 C 13 12.354 0.300 . 1 . . . . 100 ILE CD1 . 11126 1 1210 . 1 1 100 100 ILE CG1 C 13 26.898 0.300 . 1 . . . . 100 ILE CG1 . 11126 1 1211 . 1 1 100 100 ILE CG2 C 13 13.881 0.300 . 1 . . . . 100 ILE CG2 . 11126 1 1212 . 1 1 100 100 ILE N N 15 119.458 0.300 . 1 . . . . 100 ILE N . 11126 1 1213 . 1 1 101 101 THR H H 1 7.665 0.030 . 1 . . . . 101 THR H . 11126 1 1214 . 1 1 101 101 THR HA H 1 3.560 0.030 . 1 . . . . 101 THR HA . 11126 1 1215 . 1 1 101 101 THR HB H 1 4.056 0.030 . 1 . . . . 101 THR HB . 11126 1 1216 . 1 1 101 101 THR HG21 H 1 1.047 0.030 . 1 . . . . 101 THR HG2 . 11126 1 1217 . 1 1 101 101 THR HG22 H 1 1.047 0.030 . 1 . . . . 101 THR HG2 . 11126 1 1218 . 1 1 101 101 THR HG23 H 1 1.047 0.030 . 1 . . . . 101 THR HG2 . 11126 1 1219 . 1 1 101 101 THR C C 13 173.807 0.300 . 1 . . . . 101 THR C . 11126 1 1220 . 1 1 101 101 THR CA C 13 64.431 0.300 . 1 . . . . 101 THR CA . 11126 1 1221 . 1 1 101 101 THR CB C 13 66.436 0.300 . 1 . . . . 101 THR CB . 11126 1 1222 . 1 1 101 101 THR CG2 C 13 19.149 0.300 . 1 . . . . 101 THR CG2 . 11126 1 1223 . 1 1 101 101 THR N N 15 113.588 0.300 . 1 . . . . 101 THR N . 11126 1 1224 . 1 1 102 102 TYR H H 1 7.474 0.030 . 1 . . . . 102 TYR H . 11126 1 1225 . 1 1 102 102 TYR HA H 1 4.218 0.030 . 1 . . . . 102 TYR HA . 11126 1 1226 . 1 1 102 102 TYR HB2 H 1 2.800 0.030 . 2 . . . . 102 TYR HB2 . 11126 1 1227 . 1 1 102 102 TYR HB3 H 1 2.657 0.030 . 2 . . . . 102 TYR HB3 . 11126 1 1228 . 1 1 102 102 TYR HD1 H 1 6.631 0.030 . 1 . . . . 102 TYR HD1 . 11126 1 1229 . 1 1 102 102 TYR HD2 H 1 6.631 0.030 . 1 . . . . 102 TYR HD2 . 11126 1 1230 . 1 1 102 102 TYR HE1 H 1 6.515 0.030 . 1 . . . . 102 TYR HE1 . 11126 1 1231 . 1 1 102 102 TYR HE2 H 1 6.515 0.030 . 1 . . . . 102 TYR HE2 . 11126 1 1232 . 1 1 102 102 TYR C C 13 176.158 0.300 . 1 . . . . 102 TYR C . 11126 1 1233 . 1 1 102 102 TYR CA C 13 59.014 0.300 . 1 . . . . 102 TYR CA . 11126 1 1234 . 1 1 102 102 TYR CB C 13 36.891 0.300 . 1 . . . . 102 TYR CB . 11126 1 1235 . 1 1 102 102 TYR CD1 C 13 129.612 0.300 . 1 . . . . 102 TYR CD1 . 11126 1 1236 . 1 1 102 102 TYR CD2 C 13 129.612 0.300 . 1 . . . . 102 TYR CD2 . 11126 1 1237 . 1 1 102 102 TYR CE1 C 13 116.462 0.300 . 1 . . . . 102 TYR CE1 . 11126 1 1238 . 1 1 102 102 TYR CE2 C 13 116.462 0.300 . 1 . . . . 102 TYR CE2 . 11126 1 1239 . 1 1 102 102 TYR N N 15 119.329 0.300 . 1 . . . . 102 TYR N . 11126 1 1240 . 1 1 103 103 VAL H H 1 9.222 0.030 . 1 . . . . 103 VAL H . 11126 1 1241 . 1 1 103 103 VAL HA H 1 2.955 0.030 . 1 . . . . 103 VAL HA . 11126 1 1242 . 1 1 103 103 VAL HB H 1 1.659 0.030 . 1 . . . . 103 VAL HB . 11126 1 1243 . 1 1 103 103 VAL HG11 H 1 0.233 0.030 . 1 . . . . 103 VAL HG1 . 11126 1 1244 . 1 1 103 103 VAL HG12 H 1 0.233 0.030 . 1 . . . . 103 VAL HG1 . 11126 1 1245 . 1 1 103 103 VAL HG13 H 1 0.233 0.030 . 1 . . . . 103 VAL HG1 . 11126 1 1246 . 1 1 103 103 VAL HG21 H 1 0.908 0.030 . 1 . . . . 103 VAL HG2 . 11126 1 1247 . 1 1 103 103 VAL HG22 H 1 0.908 0.030 . 1 . . . . 103 VAL HG2 . 11126 1 1248 . 1 1 103 103 VAL HG23 H 1 0.908 0.030 . 1 . . . . 103 VAL HG2 . 11126 1 1249 . 1 1 103 103 VAL C C 13 175.886 0.300 . 1 . . . . 103 VAL C . 11126 1 1250 . 1 1 103 103 VAL CA C 13 65.007 0.300 . 1 . . . . 103 VAL CA . 11126 1 1251 . 1 1 103 103 VAL CB C 13 28.650 0.300 . 1 . . . . 103 VAL CB . 11126 1 1252 . 1 1 103 103 VAL CG1 C 13 22.144 0.300 . 2 . . . . 103 VAL CG1 . 11126 1 1253 . 1 1 103 103 VAL CG2 C 13 20.335 0.300 . 2 . . . . 103 VAL CG2 . 11126 1 1254 . 1 1 103 103 VAL N N 15 122.910 0.300 . 1 . . . . 103 VAL N . 11126 1 1255 . 1 1 104 104 ALA H H 1 8.897 0.030 . 1 . . . . 104 ALA H . 11126 1 1256 . 1 1 104 104 ALA HA H 1 3.850 0.030 . 1 . . . . 104 ALA HA . 11126 1 1257 . 1 1 104 104 ALA HB1 H 1 1.335 0.030 . 1 . . . . 104 ALA HB . 11126 1 1258 . 1 1 104 104 ALA HB2 H 1 1.335 0.030 . 1 . . . . 104 ALA HB . 11126 1 1259 . 1 1 104 104 ALA HB3 H 1 1.335 0.030 . 1 . . . . 104 ALA HB . 11126 1 1260 . 1 1 104 104 ALA C C 13 177.218 0.300 . 1 . . . . 104 ALA C . 11126 1 1261 . 1 1 104 104 ALA CA C 13 53.179 0.300 . 1 . . . . 104 ALA CA . 11126 1 1262 . 1 1 104 104 ALA CB C 13 14.754 0.300 . 1 . . . . 104 ALA CB . 11126 1 1263 . 1 1 104 104 ALA N N 15 121.847 0.300 . 1 . . . . 104 ALA N . 11126 1 1264 . 1 1 105 105 THR H H 1 7.417 0.030 . 1 . . . . 105 THR H . 11126 1 1265 . 1 1 105 105 THR HA H 1 4.217 0.030 . 1 . . . . 105 THR HA . 11126 1 1266 . 1 1 105 105 THR HB H 1 4.111 0.030 . 1 . . . . 105 THR HB . 11126 1 1267 . 1 1 105 105 THR HG21 H 1 1.412 0.030 . 1 . . . . 105 THR HG2 . 11126 1 1268 . 1 1 105 105 THR HG22 H 1 1.412 0.030 . 1 . . . . 105 THR HG2 . 11126 1 1269 . 1 1 105 105 THR HG23 H 1 1.412 0.030 . 1 . . . . 105 THR HG2 . 11126 1 1270 . 1 1 105 105 THR C C 13 175.532 0.300 . 1 . . . . 105 THR C . 11126 1 1271 . 1 1 105 105 THR CA C 13 63.196 0.300 . 1 . . . . 105 THR CA . 11126 1 1272 . 1 1 105 105 THR CB C 13 66.697 0.300 . 1 . . . . 105 THR CB . 11126 1 1273 . 1 1 105 105 THR CG2 C 13 19.636 0.300 . 1 . . . . 105 THR CG2 . 11126 1 1274 . 1 1 105 105 THR N N 15 109.267 0.300 . 1 . . . . 105 THR N . 11126 1 1275 . 1 1 106 106 TYR H H 1 7.294 0.030 . 1 . . . . 106 TYR H . 11126 1 1276 . 1 1 106 106 TYR HA H 1 4.192 0.030 . 1 . . . . 106 TYR HA . 11126 1 1277 . 1 1 106 106 TYR HB2 H 1 3.179 0.030 . 2 . . . . 106 TYR HB2 . 11126 1 1278 . 1 1 106 106 TYR HB3 H 1 4.165 0.030 . 2 . . . . 106 TYR HB3 . 11126 1 1279 . 1 1 106 106 TYR HD1 H 1 6.976 0.030 . 1 . . . . 106 TYR HD1 . 11126 1 1280 . 1 1 106 106 TYR HD2 H 1 6.976 0.030 . 1 . . . . 106 TYR HD2 . 11126 1 1281 . 1 1 106 106 TYR HE1 H 1 6.682 0.030 . 1 . . . . 106 TYR HE1 . 11126 1 1282 . 1 1 106 106 TYR HE2 H 1 6.682 0.030 . 1 . . . . 106 TYR HE2 . 11126 1 1283 . 1 1 106 106 TYR C C 13 174.616 0.300 . 1 . . . . 106 TYR C . 11126 1 1284 . 1 1 106 106 TYR CA C 13 57.544 0.300 . 1 . . . . 106 TYR CA . 11126 1 1285 . 1 1 106 106 TYR CB C 13 33.911 0.300 . 1 . . . . 106 TYR CB . 11126 1 1286 . 1 1 106 106 TYR CD1 C 13 127.492 0.300 . 1 . . . . 106 TYR CD1 . 11126 1 1287 . 1 1 106 106 TYR CD2 C 13 127.492 0.300 . 1 . . . . 106 TYR CD2 . 11126 1 1288 . 1 1 106 106 TYR CE1 C 13 115.710 0.300 . 1 . . . . 106 TYR CE1 . 11126 1 1289 . 1 1 106 106 TYR CE2 C 13 115.710 0.300 . 1 . . . . 106 TYR CE2 . 11126 1 1290 . 1 1 106 106 TYR N N 15 124.649 0.300 . 1 . . . . 106 TYR N . 11126 1 1291 . 1 1 107 107 TYR H H 1 7.854 0.030 . 1 . . . . 107 TYR H . 11126 1 1292 . 1 1 107 107 TYR HA H 1 2.943 0.030 . 1 . . . . 107 TYR HA . 11126 1 1293 . 1 1 107 107 TYR HB2 H 1 2.465 0.030 . 2 . . . . 107 TYR HB2 . 11126 1 1294 . 1 1 107 107 TYR HB3 H 1 1.931 0.030 . 2 . . . . 107 TYR HB3 . 11126 1 1295 . 1 1 107 107 TYR HD1 H 1 5.285 0.030 . 1 . . . . 107 TYR HD1 . 11126 1 1296 . 1 1 107 107 TYR HD2 H 1 5.285 0.030 . 1 . . . . 107 TYR HD2 . 11126 1 1297 . 1 1 107 107 TYR HE1 H 1 6.226 0.030 . 1 . . . . 107 TYR HE1 . 11126 1 1298 . 1 1 107 107 TYR HE2 H 1 6.226 0.030 . 1 . . . . 107 TYR HE2 . 11126 1 1299 . 1 1 107 107 TYR C C 13 175.860 0.300 . 1 . . . . 107 TYR C . 11126 1 1300 . 1 1 107 107 TYR CA C 13 58.291 0.300 . 1 . . . . 107 TYR CA . 11126 1 1301 . 1 1 107 107 TYR CB C 13 35.610 0.300 . 1 . . . . 107 TYR CB . 11126 1 1302 . 1 1 107 107 TYR CD1 C 13 129.804 0.300 . 1 . . . . 107 TYR CD1 . 11126 1 1303 . 1 1 107 107 TYR CD2 C 13 129.804 0.300 . 1 . . . . 107 TYR CD2 . 11126 1 1304 . 1 1 107 107 TYR CE1 C 13 115.285 0.300 . 1 . . . . 107 TYR CE1 . 11126 1 1305 . 1 1 107 107 TYR CE2 C 13 115.285 0.300 . 1 . . . . 107 TYR CE2 . 11126 1 1306 . 1 1 107 107 TYR N N 15 120.317 0.300 . 1 . . . . 107 TYR N . 11126 1 1307 . 1 1 108 108 HIS H H 1 8.437 0.030 . 1 . . . . 108 HIS H . 11126 1 1308 . 1 1 108 108 HIS HA H 1 3.639 0.030 . 1 . . . . 108 HIS HA . 11126 1 1309 . 1 1 108 108 HIS HB2 H 1 2.933 0.030 . 1 . . . . 108 HIS HB2 . 11126 1 1310 . 1 1 108 108 HIS HB3 H 1 2.933 0.030 . 1 . . . . 108 HIS HB3 . 11126 1 1311 . 1 1 108 108 HIS HD2 H 1 6.879 0.030 . 1 . . . . 108 HIS HD2 . 11126 1 1312 . 1 1 108 108 HIS HE1 H 1 7.636 0.030 . 1 . . . . 108 HIS HE1 . 11126 1 1313 . 1 1 108 108 HIS C C 13 174.372 0.300 . 1 . . . . 108 HIS C . 11126 1 1314 . 1 1 108 108 HIS CA C 13 57.756 0.300 . 1 . . . . 108 HIS CA . 11126 1 1315 . 1 1 108 108 HIS CB C 13 27.864 0.300 . 1 . . . . 108 HIS CB . 11126 1 1316 . 1 1 108 108 HIS CD2 C 13 118.981 0.300 . 1 . . . . 108 HIS CD2 . 11126 1 1317 . 1 1 108 108 HIS CE1 C 13 135.969 0.300 . 1 . . . . 108 HIS CE1 . 11126 1 1318 . 1 1 108 108 HIS N N 15 119.045 0.300 . 1 . . . . 108 HIS N . 11126 1 1319 . 1 1 109 109 TYR H H 1 7.428 0.030 . 1 . . . . 109 TYR H . 11126 1 1320 . 1 1 109 109 TYR HA H 1 3.846 0.030 . 1 . . . . 109 TYR HA . 11126 1 1321 . 1 1 109 109 TYR HB2 H 1 2.939 0.030 . 2 . . . . 109 TYR HB2 . 11126 1 1322 . 1 1 109 109 TYR HB3 H 1 2.389 0.030 . 2 . . . . 109 TYR HB3 . 11126 1 1323 . 1 1 109 109 TYR HD1 H 1 5.906 0.030 . 1 . . . . 109 TYR HD1 . 11126 1 1324 . 1 1 109 109 TYR HD2 H 1 5.906 0.030 . 1 . . . . 109 TYR HD2 . 11126 1 1325 . 1 1 109 109 TYR HE1 H 1 6.498 0.030 . 1 . . . . 109 TYR HE1 . 11126 1 1326 . 1 1 109 109 TYR HE2 H 1 6.498 0.030 . 1 . . . . 109 TYR HE2 . 11126 1 1327 . 1 1 109 109 TYR C C 13 175.466 0.300 . 1 . . . . 109 TYR C . 11126 1 1328 . 1 1 109 109 TYR CA C 13 59.446 0.300 . 1 . . . . 109 TYR CA . 11126 1 1329 . 1 1 109 109 TYR CB C 13 37.473 0.300 . 1 . . . . 109 TYR CB . 11126 1 1330 . 1 1 109 109 TYR CD1 C 13 130.163 0.300 . 1 . . . . 109 TYR CD1 . 11126 1 1331 . 1 1 109 109 TYR CD2 C 13 130.163 0.300 . 1 . . . . 109 TYR CD2 . 11126 1 1332 . 1 1 109 109 TYR CE1 C 13 116.331 0.300 . 1 . . . . 109 TYR CE1 . 11126 1 1333 . 1 1 109 109 TYR CE2 C 13 116.331 0.300 . 1 . . . . 109 TYR CE2 . 11126 1 1334 . 1 1 109 109 TYR N N 15 118.085 0.300 . 1 . . . . 109 TYR N . 11126 1 1335 . 1 1 110 110 PHE H H 1 8.741 0.030 . 1 . . . . 110 PHE H . 11126 1 1336 . 1 1 110 110 PHE HA H 1 4.066 0.030 . 1 . . . . 110 PHE HA . 11126 1 1337 . 1 1 110 110 PHE HB2 H 1 2.504 0.030 . 2 . . . . 110 PHE HB2 . 11126 1 1338 . 1 1 110 110 PHE HB3 H 1 2.657 0.030 . 2 . . . . 110 PHE HB3 . 11126 1 1339 . 1 1 110 110 PHE HD1 H 1 7.276 0.030 . 1 . . . . 110 PHE HD1 . 11126 1 1340 . 1 1 110 110 PHE HD2 H 1 7.276 0.030 . 1 . . . . 110 PHE HD2 . 11126 1 1341 . 1 1 110 110 PHE HE1 H 1 6.938 0.030 . 1 . . . . 110 PHE HE1 . 11126 1 1342 . 1 1 110 110 PHE HE2 H 1 6.938 0.030 . 1 . . . . 110 PHE HE2 . 11126 1 1343 . 1 1 110 110 PHE HZ H 1 7.022 0.030 . 1 . . . . 110 PHE HZ . 11126 1 1344 . 1 1 110 110 PHE C C 13 176.166 0.300 . 1 . . . . 110 PHE C . 11126 1 1345 . 1 1 110 110 PHE CA C 13 58.857 0.300 . 1 . . . . 110 PHE CA . 11126 1 1346 . 1 1 110 110 PHE CB C 13 35.268 0.300 . 1 . . . . 110 PHE CB . 11126 1 1347 . 1 1 110 110 PHE CD1 C 13 130.202 0.300 . 1 . . . . 110 PHE CD1 . 11126 1 1348 . 1 1 110 110 PHE CD2 C 13 130.202 0.300 . 1 . . . . 110 PHE CD2 . 11126 1 1349 . 1 1 110 110 PHE CE1 C 13 127.245 0.300 . 1 . . . . 110 PHE CE1 . 11126 1 1350 . 1 1 110 110 PHE CE2 C 13 127.245 0.300 . 1 . . . . 110 PHE CE2 . 11126 1 1351 . 1 1 110 110 PHE CZ C 13 126.496 0.300 . 1 . . . . 110 PHE CZ . 11126 1 1352 . 1 1 110 110 PHE N N 15 115.713 0.300 . 1 . . . . 110 PHE N . 11126 1 1353 . 1 1 111 111 SER H H 1 7.895 0.030 . 1 . . . . 111 SER H . 11126 1 1354 . 1 1 111 111 SER HA H 1 4.281 0.030 . 1 . . . . 111 SER HA . 11126 1 1355 . 1 1 111 111 SER HB2 H 1 3.523 0.030 . 2 . . . . 111 SER HB2 . 11126 1 1356 . 1 1 111 111 SER HB3 H 1 3.307 0.030 . 2 . . . . 111 SER HB3 . 11126 1 1357 . 1 1 111 111 SER C C 13 172.788 0.300 . 1 . . . . 111 SER C . 11126 1 1358 . 1 1 111 111 SER CA C 13 58.778 0.300 . 1 . . . . 111 SER CA . 11126 1 1359 . 1 1 111 111 SER CB C 13 60.630 0.300 . 1 . . . . 111 SER CB . 11126 1 1360 . 1 1 111 111 SER N N 15 113.930 0.300 . 1 . . . . 111 SER N . 11126 1 1361 . 1 1 112 112 LYS H H 1 6.964 0.030 . 1 . . . . 112 LYS H . 11126 1 1362 . 1 1 112 112 LYS HA H 1 4.122 0.030 . 1 . . . . 112 LYS HA . 11126 1 1363 . 1 1 112 112 LYS HB2 H 1 1.701 0.030 . 2 . . . . 112 LYS HB2 . 11126 1 1364 . 1 1 112 112 LYS HB3 H 1 1.599 0.030 . 2 . . . . 112 LYS HB3 . 11126 1 1365 . 1 1 112 112 LYS HD2 H 1 1.461 0.030 . 1 . . . . 112 LYS HD2 . 11126 1 1366 . 1 1 112 112 LYS HD3 H 1 1.461 0.030 . 1 . . . . 112 LYS HD3 . 11126 1 1367 . 1 1 112 112 LYS HE2 H 1 2.771 0.030 . 1 . . . . 112 LYS HE2 . 11126 1 1368 . 1 1 112 112 LYS HE3 H 1 2.771 0.030 . 1 . . . . 112 LYS HE3 . 11126 1 1369 . 1 1 112 112 LYS HG2 H 1 1.256 0.030 . 2 . . . . 112 LYS HG2 . 11126 1 1370 . 1 1 112 112 LYS HG3 H 1 1.194 0.030 . 2 . . . . 112 LYS HG3 . 11126 1 1371 . 1 1 112 112 LYS C C 13 174.477 0.300 . 1 . . . . 112 LYS C . 11126 1 1372 . 1 1 112 112 LYS CA C 13 54.470 0.300 . 1 . . . . 112 LYS CA . 11126 1 1373 . 1 1 112 112 LYS CB C 13 29.795 0.300 . 1 . . . . 112 LYS CB . 11126 1 1374 . 1 1 112 112 LYS CD C 13 26.588 0.300 . 1 . . . . 112 LYS CD . 11126 1 1375 . 1 1 112 112 LYS CE C 13 39.942 0.300 . 1 . . . . 112 LYS CE . 11126 1 1376 . 1 1 112 112 LYS CG C 13 22.252 0.300 . 1 . . . . 112 LYS CG . 11126 1 1377 . 1 1 112 112 LYS N N 15 119.656 0.300 . 1 . . . . 112 LYS N . 11126 1 1378 . 1 1 113 113 MET H H 1 7.495 0.030 . 1 . . . . 113 MET H . 11126 1 1379 . 1 1 113 113 MET HA H 1 4.172 0.030 . 1 . . . . 113 MET HA . 11126 1 1380 . 1 1 113 113 MET HB2 H 1 1.900 0.030 . 2 . . . . 113 MET HB2 . 11126 1 1381 . 1 1 113 113 MET HB3 H 1 2.013 0.030 . 2 . . . . 113 MET HB3 . 11126 1 1382 . 1 1 113 113 MET HE1 H 1 2.092 0.030 . 1 . . . . 113 MET HE . 11126 1 1383 . 1 1 113 113 MET HE2 H 1 2.092 0.030 . 1 . . . . 113 MET HE . 11126 1 1384 . 1 1 113 113 MET HE3 H 1 2.092 0.030 . 1 . . . . 113 MET HE . 11126 1 1385 . 1 1 113 113 MET HG2 H 1 2.358 0.030 . 2 . . . . 113 MET HG2 . 11126 1 1386 . 1 1 113 113 MET HG3 H 1 2.425 0.030 . 2 . . . . 113 MET HG3 . 11126 1 1387 . 1 1 113 113 MET C C 13 174.236 0.300 . 1 . . . . 113 MET C . 11126 1 1388 . 1 1 113 113 MET CA C 13 53.829 0.300 . 1 . . . . 113 MET CA . 11126 1 1389 . 1 1 113 113 MET CB C 13 30.513 0.300 . 1 . . . . 113 MET CB . 11126 1 1390 . 1 1 113 113 MET CE C 13 14.952 0.300 . 1 . . . . 113 MET CE . 11126 1 1391 . 1 1 113 113 MET CG C 13 29.678 0.300 . 1 . . . . 113 MET CG . 11126 1 1392 . 1 1 113 113 MET N N 15 119.113 0.300 . 1 . . . . 113 MET N . 11126 1 1393 . 1 1 114 114 LYS H H 1 8.099 0.030 . 1 . . . . 114 LYS H . 11126 1 1394 . 1 1 114 114 LYS HA H 1 4.209 0.030 . 1 . . . . 114 LYS HA . 11126 1 1395 . 1 1 114 114 LYS HB2 H 1 1.742 0.030 . 2 . . . . 114 LYS HB2 . 11126 1 1396 . 1 1 114 114 LYS HB3 H 1 1.793 0.030 . 2 . . . . 114 LYS HB3 . 11126 1 1397 . 1 1 114 114 LYS HD2 H 1 1.646 0.030 . 1 . . . . 114 LYS HD2 . 11126 1 1398 . 1 1 114 114 LYS HD3 H 1 1.646 0.030 . 1 . . . . 114 LYS HD3 . 11126 1 1399 . 1 1 114 114 LYS HE2 H 1 2.905 0.030 . 2 . . . . 114 LYS HE2 . 11126 1 1400 . 1 1 114 114 LYS HG2 H 1 1.384 0.030 . 2 . . . . 114 LYS HG2 . 11126 1 1401 . 1 1 114 114 LYS HG3 H 1 1.288 0.030 . 2 . . . . 114 LYS HG3 . 11126 1 1402 . 1 1 114 114 LYS C C 13 174.064 0.300 . 1 . . . . 114 LYS C . 11126 1 1403 . 1 1 114 114 LYS CA C 13 54.226 0.300 . 1 . . . . 114 LYS CA . 11126 1 1404 . 1 1 114 114 LYS CB C 13 30.457 0.300 . 1 . . . . 114 LYS CB . 11126 1 1405 . 1 1 114 114 LYS CD C 13 26.753 0.300 . 1 . . . . 114 LYS CD . 11126 1 1406 . 1 1 114 114 LYS CE C 13 39.778 0.300 . 1 . . . . 114 LYS CE . 11126 1 1407 . 1 1 114 114 LYS CG C 13 22.633 0.300 . 1 . . . . 114 LYS CG . 11126 1 1408 . 1 1 114 114 LYS N N 15 122.386 0.300 . 1 . . . . 114 LYS N . 11126 1 1409 . 1 1 115 115 ALA H H 1 8.117 0.030 . 1 . . . . 115 ALA H . 11126 1 1410 . 1 1 115 115 ALA HA H 1 4.230 0.030 . 1 . . . . 115 ALA HA . 11126 1 1411 . 1 1 115 115 ALA HB1 H 1 1.315 0.030 . 1 . . . . 115 ALA HB . 11126 1 1412 . 1 1 115 115 ALA HB2 H 1 1.315 0.030 . 1 . . . . 115 ALA HB . 11126 1 1413 . 1 1 115 115 ALA HB3 H 1 1.315 0.030 . 1 . . . . 115 ALA HB . 11126 1 1414 . 1 1 115 115 ALA C C 13 175.551 0.300 . 1 . . . . 115 ALA C . 11126 1 1415 . 1 1 115 115 ALA CA C 13 50.362 0.300 . 1 . . . . 115 ALA CA . 11126 1 1416 . 1 1 115 115 ALA CB C 13 16.782 0.300 . 1 . . . . 115 ALA CB . 11126 1 1417 . 1 1 115 115 ALA N N 15 124.340 0.300 . 1 . . . . 115 ALA N . 11126 1 1418 . 1 1 116 116 LEU H H 1 8.139 0.030 . 1 . . . . 116 LEU H . 11126 1 1419 . 1 1 116 116 LEU HA H 1 4.215 0.030 . 1 . . . . 116 LEU HA . 11126 1 1420 . 1 1 116 116 LEU HB2 H 1 1.574 0.030 . 2 . . . . 116 LEU HB2 . 11126 1 1421 . 1 1 116 116 LEU HB3 H 1 1.497 0.030 . 2 . . . . 116 LEU HB3 . 11126 1 1422 . 1 1 116 116 LEU HD11 H 1 0.827 0.030 . 1 . . . . 116 LEU HD1 . 11126 1 1423 . 1 1 116 116 LEU HD12 H 1 0.827 0.030 . 1 . . . . 116 LEU HD1 . 11126 1 1424 . 1 1 116 116 LEU HD13 H 1 0.827 0.030 . 1 . . . . 116 LEU HD1 . 11126 1 1425 . 1 1 116 116 LEU HD21 H 1 0.784 0.030 . 1 . . . . 116 LEU HD2 . 11126 1 1426 . 1 1 116 116 LEU HD22 H 1 0.784 0.030 . 1 . . . . 116 LEU HD2 . 11126 1 1427 . 1 1 116 116 LEU HD23 H 1 0.784 0.030 . 1 . . . . 116 LEU HD2 . 11126 1 1428 . 1 1 116 116 LEU HG H 1 1.595 0.030 . 1 . . . . 116 LEU HG . 11126 1 1429 . 1 1 116 116 LEU C C 13 174.884 0.300 . 1 . . . . 116 LEU C . 11126 1 1430 . 1 1 116 116 LEU CA C 13 52.936 0.300 . 1 . . . . 116 LEU CA . 11126 1 1431 . 1 1 116 116 LEU CB C 13 40.199 0.300 . 1 . . . . 116 LEU CB . 11126 1 1432 . 1 1 116 116 LEU CD1 C 13 22.652 0.300 . 2 . . . . 116 LEU CD1 . 11126 1 1433 . 1 1 116 116 LEU CD2 C 13 21.202 0.300 . 2 . . . . 116 LEU CD2 . 11126 1 1434 . 1 1 116 116 LEU CG C 13 24.650 0.300 . 1 . . . . 116 LEU CG . 11126 1 1435 . 1 1 116 116 LEU N N 15 121.022 0.300 . 1 . . . . 116 LEU N . 11126 1 1436 . 1 1 117 117 ALA H H 1 8.098 0.030 . 1 . . . . 117 ALA H . 11126 1 1437 . 1 1 117 117 ALA HA H 1 4.280 0.030 . 1 . . . . 117 ALA HA . 11126 1 1438 . 1 1 117 117 ALA HB1 H 1 1.314 0.030 . 1 . . . . 117 ALA HB . 11126 1 1439 . 1 1 117 117 ALA HB2 H 1 1.314 0.030 . 1 . . . . 117 ALA HB . 11126 1 1440 . 1 1 117 117 ALA HB3 H 1 1.314 0.030 . 1 . . . . 117 ALA HB . 11126 1 1441 . 1 1 117 117 ALA C C 13 175.291 0.300 . 1 . . . . 117 ALA C . 11126 1 1442 . 1 1 117 117 ALA CA C 13 50.124 0.300 . 1 . . . . 117 ALA CA . 11126 1 1443 . 1 1 117 117 ALA CB C 13 16.767 0.300 . 1 . . . . 117 ALA CB . 11126 1 1444 . 1 1 117 117 ALA N N 15 124.467 0.300 . 1 . . . . 117 ALA N . 11126 1 1445 . 1 1 118 118 VAL H H 1 7.979 0.030 . 1 . . . . 118 VAL H . 11126 1 1446 . 1 1 118 118 VAL HA H 1 4.021 0.030 . 1 . . . . 118 VAL HA . 11126 1 1447 . 1 1 118 118 VAL HB H 1 2.003 0.030 . 1 . . . . 118 VAL HB . 11126 1 1448 . 1 1 118 118 VAL HG11 H 1 0.847 0.030 . 1 . . . . 118 VAL HG1 . 11126 1 1449 . 1 1 118 118 VAL HG12 H 1 0.847 0.030 . 1 . . . . 118 VAL HG1 . 11126 1 1450 . 1 1 118 118 VAL HG13 H 1 0.847 0.030 . 1 . . . . 118 VAL HG1 . 11126 1 1451 . 1 1 118 118 VAL HG21 H 1 0.860 0.030 . 1 . . . . 118 VAL HG2 . 11126 1 1452 . 1 1 118 118 VAL HG22 H 1 0.860 0.030 . 1 . . . . 118 VAL HG2 . 11126 1 1453 . 1 1 118 118 VAL HG23 H 1 0.860 0.030 . 1 . . . . 118 VAL HG2 . 11126 1 1454 . 1 1 118 118 VAL C C 13 173.957 0.300 . 1 . . . . 118 VAL C . 11126 1 1455 . 1 1 118 118 VAL CA C 13 59.941 0.300 . 1 . . . . 118 VAL CA . 11126 1 1456 . 1 1 118 118 VAL CB C 13 30.484 0.300 . 1 . . . . 118 VAL CB . 11126 1 1457 . 1 1 118 118 VAL CG1 C 13 18.895 0.300 . 2 . . . . 118 VAL CG1 . 11126 1 1458 . 1 1 118 118 VAL CG2 C 13 18.158 0.300 . 2 . . . . 118 VAL CG2 . 11126 1 1459 . 1 1 118 118 VAL N N 15 118.850 0.300 . 1 . . . . 118 VAL N . 11126 1 1460 . 1 1 119 119 GLU H H 1 8.394 0.030 . 1 . . . . 119 GLU H . 11126 1 1461 . 1 1 119 119 GLU HA H 1 4.197 0.030 . 1 . . . . 119 GLU HA . 11126 1 1462 . 1 1 119 119 GLU HB2 H 1 1.969 0.030 . 2 . . . . 119 GLU HB2 . 11126 1 1463 . 1 1 119 119 GLU HB3 H 1 1.887 0.030 . 2 . . . . 119 GLU HB3 . 11126 1 1464 . 1 1 119 119 GLU HG2 H 1 2.190 0.030 . 1 . . . . 119 GLU HG2 . 11126 1 1465 . 1 1 119 119 GLU HG3 H 1 2.190 0.030 . 1 . . . . 119 GLU HG3 . 11126 1 1466 . 1 1 119 119 GLU C C 13 174.622 0.300 . 1 . . . . 119 GLU C . 11126 1 1467 . 1 1 119 119 GLU CA C 13 54.366 0.300 . 1 . . . . 119 GLU CA . 11126 1 1468 . 1 1 119 119 GLU CB C 13 27.983 0.300 . 1 . . . . 119 GLU CB . 11126 1 1469 . 1 1 119 119 GLU CG C 13 33.925 0.300 . 1 . . . . 119 GLU CG . 11126 1 1470 . 1 1 119 119 GLU N N 15 124.244 0.300 . 1 . . . . 119 GLU N . 11126 1 1471 . 1 1 120 120 GLY H H 1 8.346 0.030 . 1 . . . . 120 GLY H . 11126 1 1472 . 1 1 120 120 GLY HA2 H 1 3.881 0.030 . 1 . . . . 120 GLY HA2 . 11126 1 1473 . 1 1 120 120 GLY HA3 H 1 3.881 0.030 . 1 . . . . 120 GLY HA3 . 11126 1 1474 . 1 1 120 120 GLY C C 13 171.781 0.300 . 1 . . . . 120 GLY C . 11126 1 1475 . 1 1 120 120 GLY CA C 13 42.996 0.300 . 1 . . . . 120 GLY CA . 11126 1 1476 . 1 1 120 120 GLY N N 15 109.867 0.300 . 1 . . . . 120 GLY N . 11126 1 1477 . 1 1 121 121 LYS H H 1 8.099 0.030 . 1 . . . . 121 LYS H . 11126 1 1478 . 1 1 121 121 LYS HA H 1 4.336 0.030 . 1 . . . . 121 LYS HA . 11126 1 1479 . 1 1 121 121 LYS HB2 H 1 1.799 0.030 . 1 . . . . 121 LYS HB2 . 11126 1 1480 . 1 1 121 121 LYS HB3 H 1 1.799 0.030 . 1 . . . . 121 LYS HB3 . 11126 1 1481 . 1 1 121 121 LYS HD2 H 1 1.565 0.030 . 2 . . . . 121 LYS HD2 . 11126 1 1482 . 1 1 121 121 LYS HD3 H 1 1.647 0.030 . 2 . . . . 121 LYS HD3 . 11126 1 1483 . 1 1 121 121 LYS HE2 H 1 2.901 0.030 . 1 . . . . 121 LYS HE2 . 11126 1 1484 . 1 1 121 121 LYS HE3 H 1 2.901 0.030 . 1 . . . . 121 LYS HE3 . 11126 1 1485 . 1 1 121 121 LYS HG2 H 1 1.338 0.030 . 1 . . . . 121 LYS HG2 . 11126 1 1486 . 1 1 121 121 LYS HG3 H 1 1.338 0.030 . 1 . . . . 121 LYS HG3 . 11126 1 1487 . 1 1 121 121 LYS C C 13 174.585 0.300 . 1 . . . . 121 LYS C . 11126 1 1488 . 1 1 121 121 LYS CA C 13 53.791 0.300 . 1 . . . . 121 LYS CA . 11126 1 1489 . 1 1 121 121 LYS CB C 13 30.821 0.300 . 1 . . . . 121 LYS CB . 11126 1 1490 . 1 1 121 121 LYS CD C 13 26.671 0.300 . 1 . . . . 121 LYS CD . 11126 1 1491 . 1 1 121 121 LYS CE C 13 39.860 0.300 . 1 . . . . 121 LYS CE . 11126 1 1492 . 1 1 121 121 LYS CG C 13 22.220 0.300 . 1 . . . . 121 LYS CG . 11126 1 1493 . 1 1 121 121 LYS N N 15 120.450 0.300 . 1 . . . . 121 LYS N . 11126 1 1494 . 1 1 122 122 SER H H 1 8.314 0.030 . 1 . . . . 122 SER H . 11126 1 1495 . 1 1 122 122 SER C C 13 172.182 0.300 . 1 . . . . 122 SER C . 11126 1 1496 . 1 1 122 122 SER CA C 13 56.174 0.300 . 1 . . . . 122 SER CA . 11126 1 1497 . 1 1 122 122 SER CB C 13 61.666 0.300 . 1 . . . . 122 SER CB . 11126 1 1498 . 1 1 122 122 SER N N 15 116.735 0.300 . 1 . . . . 122 SER N . 11126 1 1499 . 1 1 124 124 PRO HA H 1 4.403 0.030 . 1 . . . . 124 PRO HA . 11126 1 1500 . 1 1 124 124 PRO HB2 H 1 2.219 0.030 . 1 . . . . 124 PRO HB2 . 11126 1 1501 . 1 1 124 124 PRO HB3 H 1 2.219 0.030 . 1 . . . . 124 PRO HB3 . 11126 1 1502 . 1 1 124 124 PRO HD2 H 1 3.552 0.030 . 1 . . . . 124 PRO HD2 . 11126 1 1503 . 1 1 124 124 PRO HD3 H 1 3.552 0.030 . 1 . . . . 124 PRO HD3 . 11126 1 1504 . 1 1 124 124 PRO HG2 H 1 1.938 0.030 . 1 . . . . 124 PRO HG2 . 11126 1 1505 . 1 1 124 124 PRO HG3 H 1 1.938 0.030 . 1 . . . . 124 PRO HG3 . 11126 1 1506 . 1 1 124 124 PRO CA C 13 60.953 0.300 . 1 . . . . 124 PRO CA . 11126 1 1507 . 1 1 124 124 PRO CB C 13 29.872 0.300 . 1 . . . . 124 PRO CB . 11126 1 1508 . 1 1 124 124 PRO CD C 13 47.451 0.300 . 1 . . . . 124 PRO CD . 11126 1 1509 . 1 1 124 124 PRO CG C 13 24.807 0.300 . 1 . . . . 124 PRO CG . 11126 1 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