data_11108 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11108 _Entry.Title ; The solution structure of the thioredoxin domain of human Thioredoxin-like protein 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-18 _Entry.Accession_date 2010-02-22 _Entry.Last_release_date 2011-02-18 _Entry.Original_release_date 2011-02-18 _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 N. Tochio . . . 11108 2 S. Koshiba . . . 11108 3 M. Inoue . . . 11108 4 T. Kigawa . . . 11108 5 S. Yokoyama . . . 11108 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)' . 11108 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11108 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 554 11108 '15N chemical shifts' 128 11108 '1H chemical shifts' 867 11108 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 . . 2011-02-18 2010-02-19 original author . 11108 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DIY 'BMRB Entry Tracking System' 11108 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11108 _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 ; The solution structure of the thioredoxin domain of human Thioredoxin-like protein 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 N. Tochio . . . 11108 1 2 S. Koshiba . . . 11108 1 3 M. Inoue . . . 11108 1 4 T. Kigawa . . . 11108 1 5 S. Yokoyama . . . 11108 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11108 _Assembly.ID 1 _Assembly.Name 'Thioredoxin-like protein 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 'Thioredoxin domain, residues 8-124' 1 $entity_1 A . yes native no no . . . 11108 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 2diy . . . . . . 11108 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11108 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Thioredoxin domain, residues 8-124' _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 ; GSSGSSGMAAGAAEAAVAAV EEVGSAGQFEELLRLKAKSL LVVHFWAPWAPQCAQMNEVM AELAKELPQVSFVKLEAEGV PEVSEKYEISSVPTFLFFKN SQKIDRLDGAHAPELTKKVQ RHASSGPSSG ; _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 130 _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 2DIY . "The Solution Structure Of The Thioredoxin Domain Of Human Thioredoxin-Like Protein 2" . . . . . 100.00 130 100.00 100.00 5.04e-86 . . . . 11108 1 2 no PDB 2WZ9 . "Crystal Structure Of The Thioredoxin Domain Of Human Txnl2" . . . . . 91.54 153 100.00 100.00 3.55e-78 . . . . 11108 1 3 no DBJ BAG51059 . "unnamed protein product [Homo sapiens]" . . . . . 91.54 335 99.16 99.16 1.19e-74 . . . . 11108 1 4 no DBJ BAG51067 . "unnamed protein product [Homo sapiens]" . . . . . 91.54 335 98.32 99.16 3.05e-74 . . . . 11108 1 5 no DBJ BAG73204 . "glutaredoxin 3 [synthetic construct]" . . . . . 91.54 335 100.00 100.00 2.95e-75 . . . . 11108 1 6 no EMBL CAA09375 . "thioredoxin-like protein [Homo sapiens]" . . . . . 91.54 335 99.16 99.16 1.83e-74 . . . . 11108 1 7 no GB AAF28841 . "PKCq-interacting protein PICOT [Homo sapiens]" . . . . . 91.54 335 99.16 99.16 1.40e-74 . . . . 11108 1 8 no GB AAF28844 . "PKCq-interacting protein PICOT [Homo sapiens]" . . . . . 91.54 335 100.00 100.00 2.95e-75 . . . . 11108 1 9 no GB AAH05289 . "Glutaredoxin 3 [Homo sapiens]" . . . . . 91.54 335 100.00 100.00 2.95e-75 . . . . 11108 1 10 no GB AAH14372 . "GLRX3 protein, partial [Homo sapiens]" . . . . . 56.15 289 100.00 100.00 1.46e-40 . . . . 11108 1 11 no GB AIC50652 . "GLRX3, partial [synthetic construct]" . . . . . 91.54 335 100.00 100.00 2.95e-75 . . . . 11108 1 12 no REF NP_001186797 . "glutaredoxin-3 [Homo sapiens]" . . . . . 91.54 335 100.00 100.00 2.95e-75 . . . . 11108 1 13 no REF NP_006532 . "glutaredoxin-3 [Homo sapiens]" . . . . . 91.54 335 100.00 100.00 2.95e-75 . . . . 11108 1 14 no REF XP_001090479 . "PREDICTED: glutaredoxin-3-like isoform 2 [Macaca mulatta]" . . . . . 91.54 335 98.32 99.16 1.20e-73 . . . . 11108 1 15 no REF XP_002821331 . "PREDICTED: glutaredoxin-3 isoform X1 [Pongo abelii]" . . . . . 91.54 335 100.00 100.00 2.79e-75 . . . . 11108 1 16 no REF XP_003275520 . "PREDICTED: glutaredoxin-3 [Nomascus leucogenys]" . . . . . 91.54 335 98.32 99.16 2.80e-74 . . . . 11108 1 17 no SP O76003 . "RecName: Full=Glutaredoxin-3; AltName: Full=PKC-interacting cousin of thioredoxin; Short=PICOT; AltName: Full=PKC-theta-interac" . . . . . 91.54 335 100.00 100.00 2.95e-75 . . . . 11108 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Thioredoxin domain, residues 8-124' . 11108 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 . 11108 1 2 . SER . 11108 1 3 . SER . 11108 1 4 . GLY . 11108 1 5 . SER . 11108 1 6 . SER . 11108 1 7 . GLY . 11108 1 8 . MET . 11108 1 9 . ALA . 11108 1 10 . ALA . 11108 1 11 . GLY . 11108 1 12 . ALA . 11108 1 13 . ALA . 11108 1 14 . GLU . 11108 1 15 . ALA . 11108 1 16 . ALA . 11108 1 17 . VAL . 11108 1 18 . ALA . 11108 1 19 . ALA . 11108 1 20 . VAL . 11108 1 21 . GLU . 11108 1 22 . GLU . 11108 1 23 . VAL . 11108 1 24 . GLY . 11108 1 25 . SER . 11108 1 26 . ALA . 11108 1 27 . GLY . 11108 1 28 . GLN . 11108 1 29 . PHE . 11108 1 30 . GLU . 11108 1 31 . GLU . 11108 1 32 . LEU . 11108 1 33 . LEU . 11108 1 34 . ARG . 11108 1 35 . LEU . 11108 1 36 . LYS . 11108 1 37 . ALA . 11108 1 38 . LYS . 11108 1 39 . SER . 11108 1 40 . LEU . 11108 1 41 . LEU . 11108 1 42 . VAL . 11108 1 43 . VAL . 11108 1 44 . HIS . 11108 1 45 . PHE . 11108 1 46 . TRP . 11108 1 47 . ALA . 11108 1 48 . PRO . 11108 1 49 . TRP . 11108 1 50 . ALA . 11108 1 51 . PRO . 11108 1 52 . GLN . 11108 1 53 . CYS . 11108 1 54 . ALA . 11108 1 55 . GLN . 11108 1 56 . MET . 11108 1 57 . ASN . 11108 1 58 . GLU . 11108 1 59 . VAL . 11108 1 60 . MET . 11108 1 61 . ALA . 11108 1 62 . GLU . 11108 1 63 . LEU . 11108 1 64 . ALA . 11108 1 65 . LYS . 11108 1 66 . GLU . 11108 1 67 . LEU . 11108 1 68 . PRO . 11108 1 69 . GLN . 11108 1 70 . VAL . 11108 1 71 . SER . 11108 1 72 . PHE . 11108 1 73 . VAL . 11108 1 74 . LYS . 11108 1 75 . LEU . 11108 1 76 . GLU . 11108 1 77 . ALA . 11108 1 78 . GLU . 11108 1 79 . GLY . 11108 1 80 . VAL . 11108 1 81 . PRO . 11108 1 82 . GLU . 11108 1 83 . VAL . 11108 1 84 . SER . 11108 1 85 . GLU . 11108 1 86 . LYS . 11108 1 87 . TYR . 11108 1 88 . GLU . 11108 1 89 . ILE . 11108 1 90 . SER . 11108 1 91 . SER . 11108 1 92 . VAL . 11108 1 93 . PRO . 11108 1 94 . THR . 11108 1 95 . PHE . 11108 1 96 . LEU . 11108 1 97 . PHE . 11108 1 98 . PHE . 11108 1 99 . LYS . 11108 1 100 . ASN . 11108 1 101 . SER . 11108 1 102 . GLN . 11108 1 103 . LYS . 11108 1 104 . ILE . 11108 1 105 . ASP . 11108 1 106 . ARG . 11108 1 107 . LEU . 11108 1 108 . ASP . 11108 1 109 . GLY . 11108 1 110 . ALA . 11108 1 111 . HIS . 11108 1 112 . ALA . 11108 1 113 . PRO . 11108 1 114 . GLU . 11108 1 115 . LEU . 11108 1 116 . THR . 11108 1 117 . LYS . 11108 1 118 . LYS . 11108 1 119 . VAL . 11108 1 120 . GLN . 11108 1 121 . ARG . 11108 1 122 . HIS . 11108 1 123 . ALA . 11108 1 124 . SER . 11108 1 125 . SER . 11108 1 126 . GLY . 11108 1 127 . PRO . 11108 1 128 . SER . 11108 1 129 . SER . 11108 1 130 . GLY . 11108 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 11108 1 . SER 2 2 11108 1 . SER 3 3 11108 1 . GLY 4 4 11108 1 . SER 5 5 11108 1 . SER 6 6 11108 1 . GLY 7 7 11108 1 . MET 8 8 11108 1 . ALA 9 9 11108 1 . ALA 10 10 11108 1 . GLY 11 11 11108 1 . ALA 12 12 11108 1 . ALA 13 13 11108 1 . GLU 14 14 11108 1 . ALA 15 15 11108 1 . ALA 16 16 11108 1 . VAL 17 17 11108 1 . ALA 18 18 11108 1 . ALA 19 19 11108 1 . VAL 20 20 11108 1 . GLU 21 21 11108 1 . GLU 22 22 11108 1 . VAL 23 23 11108 1 . GLY 24 24 11108 1 . SER 25 25 11108 1 . ALA 26 26 11108 1 . GLY 27 27 11108 1 . GLN 28 28 11108 1 . PHE 29 29 11108 1 . GLU 30 30 11108 1 . GLU 31 31 11108 1 . LEU 32 32 11108 1 . LEU 33 33 11108 1 . ARG 34 34 11108 1 . LEU 35 35 11108 1 . LYS 36 36 11108 1 . ALA 37 37 11108 1 . LYS 38 38 11108 1 . SER 39 39 11108 1 . LEU 40 40 11108 1 . LEU 41 41 11108 1 . VAL 42 42 11108 1 . VAL 43 43 11108 1 . HIS 44 44 11108 1 . PHE 45 45 11108 1 . TRP 46 46 11108 1 . ALA 47 47 11108 1 . PRO 48 48 11108 1 . TRP 49 49 11108 1 . ALA 50 50 11108 1 . PRO 51 51 11108 1 . GLN 52 52 11108 1 . CYS 53 53 11108 1 . ALA 54 54 11108 1 . GLN 55 55 11108 1 . MET 56 56 11108 1 . ASN 57 57 11108 1 . GLU 58 58 11108 1 . VAL 59 59 11108 1 . MET 60 60 11108 1 . ALA 61 61 11108 1 . GLU 62 62 11108 1 . LEU 63 63 11108 1 . ALA 64 64 11108 1 . LYS 65 65 11108 1 . GLU 66 66 11108 1 . LEU 67 67 11108 1 . PRO 68 68 11108 1 . GLN 69 69 11108 1 . VAL 70 70 11108 1 . SER 71 71 11108 1 . PHE 72 72 11108 1 . VAL 73 73 11108 1 . LYS 74 74 11108 1 . LEU 75 75 11108 1 . GLU 76 76 11108 1 . ALA 77 77 11108 1 . GLU 78 78 11108 1 . GLY 79 79 11108 1 . VAL 80 80 11108 1 . PRO 81 81 11108 1 . GLU 82 82 11108 1 . VAL 83 83 11108 1 . SER 84 84 11108 1 . GLU 85 85 11108 1 . LYS 86 86 11108 1 . TYR 87 87 11108 1 . GLU 88 88 11108 1 . ILE 89 89 11108 1 . SER 90 90 11108 1 . SER 91 91 11108 1 . VAL 92 92 11108 1 . PRO 93 93 11108 1 . THR 94 94 11108 1 . PHE 95 95 11108 1 . LEU 96 96 11108 1 . PHE 97 97 11108 1 . PHE 98 98 11108 1 . LYS 99 99 11108 1 . ASN 100 100 11108 1 . SER 101 101 11108 1 . GLN 102 102 11108 1 . LYS 103 103 11108 1 . ILE 104 104 11108 1 . ASP 105 105 11108 1 . ARG 106 106 11108 1 . LEU 107 107 11108 1 . ASP 108 108 11108 1 . GLY 109 109 11108 1 . ALA 110 110 11108 1 . HIS 111 111 11108 1 . ALA 112 112 11108 1 . PRO 113 113 11108 1 . GLU 114 114 11108 1 . LEU 115 115 11108 1 . THR 116 116 11108 1 . LYS 117 117 11108 1 . LYS 118 118 11108 1 . VAL 119 119 11108 1 . GLN 120 120 11108 1 . ARG 121 121 11108 1 . HIS 122 122 11108 1 . ALA 123 123 11108 1 . SER 124 124 11108 1 . SER 125 125 11108 1 . GLY 126 126 11108 1 . PRO 127 127 11108 1 . SER 128 128 11108 1 . SER 129 129 11108 1 . GLY 130 130 11108 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 11108 _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 . . . . . . . . . . . . . . . . . . . . . 11108 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 11108 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P050302-06 . . . . . . 11108 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11108 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.3mM Thioredoxin domain [U-15N,13C]; 20mM d-Tris HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 90% H2O, 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 'Thioredoxin domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.3 . . mM . . . . 11108 1 2 'd-Tris HCl' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11108 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11108 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11108 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11108 1 6 H2O . . . . . . solvent 90 . . % . . . . 11108 1 7 D2O . . . . . . solvent 10 . . % . . . . 11108 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 11108 _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 11108 1 pH 7.0 0.05 pH 11108 1 pressure 1 0.001 atm 11108 1 temperature 296 0.1 K 11108 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11108 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11108 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11108 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11108 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11108 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11108 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11108 _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.' . . 11108 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11108 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11108 _Software.ID 4 _Software.Name Kujira _Software.Version 0.955 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11108 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11108 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11108 _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.' . . 11108 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11108 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 11108 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11108 _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 . 900 . . . 11108 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 11108 _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 . . . . . . . . . . . . . . . . 11108 1 2 '3D 13C-SEPARATED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11108 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 11108 _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 . . . . . . . . . 11108 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11108 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11108 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 11108 _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 11108 1 2 '3D 13C-SEPARATED NOESY' 1 $sample_1 isotropic 11108 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 . . 11108 1 2 $NMRPipe . . 11108 1 3 $NMRVIEW . . 11108 1 4 $KUJIRA . . 11108 1 5 $CYANA . . 11108 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 6 6 SER HA H 1 4.461 0.030 . 1 . . . . 6 SER HA . 11108 1 2 . 1 1 6 6 SER HB2 H 1 3.889 0.030 . 2 . . . . 6 SER HB2 . 11108 1 3 . 1 1 6 6 SER C C 13 175.102 0.300 . 1 . . . . 6 SER C . 11108 1 4 . 1 1 6 6 SER CA C 13 58.715 0.300 . 1 . . . . 6 SER CA . 11108 1 5 . 1 1 6 6 SER CB C 13 63.810 0.300 . 1 . . . . 6 SER CB . 11108 1 6 . 1 1 7 7 GLY H H 1 8.420 0.030 . 1 . . . . 7 GLY H . 11108 1 7 . 1 1 7 7 GLY HA2 H 1 3.945 0.030 . 1 . . . . 7 GLY HA2 . 11108 1 8 . 1 1 7 7 GLY HA3 H 1 3.945 0.030 . 1 . . . . 7 GLY HA3 . 11108 1 9 . 1 1 7 7 GLY C C 13 174.188 0.300 . 1 . . . . 7 GLY C . 11108 1 10 . 1 1 7 7 GLY CA C 13 45.377 0.300 . 1 . . . . 7 GLY CA . 11108 1 11 . 1 1 7 7 GLY N N 15 110.674 0.300 . 1 . . . . 7 GLY N . 11108 1 12 . 1 1 8 8 MET H H 1 8.159 0.030 . 1 . . . . 8 MET H . 11108 1 13 . 1 1 8 8 MET HA H 1 4.446 0.030 . 1 . . . . 8 MET HA . 11108 1 14 . 1 1 8 8 MET HB2 H 1 2.064 0.030 . 2 . . . . 8 MET HB2 . 11108 1 15 . 1 1 8 8 MET HB3 H 1 1.968 0.030 . 2 . . . . 8 MET HB3 . 11108 1 16 . 1 1 8 8 MET HE1 H 1 2.074 0.030 . 1 . . . . 8 MET HE . 11108 1 17 . 1 1 8 8 MET HE2 H 1 2.074 0.030 . 1 . . . . 8 MET HE . 11108 1 18 . 1 1 8 8 MET HE3 H 1 2.074 0.030 . 1 . . . . 8 MET HE . 11108 1 19 . 1 1 8 8 MET HG2 H 1 2.573 0.030 . 2 . . . . 8 MET HG2 . 11108 1 20 . 1 1 8 8 MET HG3 H 1 2.505 0.030 . 2 . . . . 8 MET HG3 . 11108 1 21 . 1 1 8 8 MET C C 13 176.108 0.300 . 1 . . . . 8 MET C . 11108 1 22 . 1 1 8 8 MET CA C 13 55.430 0.300 . 1 . . . . 8 MET CA . 11108 1 23 . 1 1 8 8 MET CB C 13 32.992 0.300 . 1 . . . . 8 MET CB . 11108 1 24 . 1 1 8 8 MET CE C 13 16.845 0.300 . 1 . . . . 8 MET CE . 11108 1 25 . 1 1 8 8 MET CG C 13 31.985 0.300 . 1 . . . . 8 MET CG . 11108 1 26 . 1 1 8 8 MET N N 15 119.911 0.300 . 1 . . . . 8 MET N . 11108 1 27 . 1 1 9 9 ALA H H 1 8.357 0.030 . 1 . . . . 9 ALA H . 11108 1 28 . 1 1 9 9 ALA HA H 1 4.273 0.030 . 1 . . . . 9 ALA HA . 11108 1 29 . 1 1 9 9 ALA HB1 H 1 1.363 0.030 . 1 . . . . 9 ALA HB . 11108 1 30 . 1 1 9 9 ALA HB2 H 1 1.363 0.030 . 1 . . . . 9 ALA HB . 11108 1 31 . 1 1 9 9 ALA HB3 H 1 1.363 0.030 . 1 . . . . 9 ALA HB . 11108 1 32 . 1 1 9 9 ALA C C 13 177.554 0.300 . 1 . . . . 9 ALA C . 11108 1 33 . 1 1 9 9 ALA CA C 13 52.610 0.300 . 1 . . . . 9 ALA CA . 11108 1 34 . 1 1 9 9 ALA CB C 13 19.218 0.300 . 1 . . . . 9 ALA CB . 11108 1 35 . 1 1 9 9 ALA N N 15 125.565 0.300 . 1 . . . . 9 ALA N . 11108 1 36 . 1 1 10 10 ALA H H 1 8.307 0.030 . 1 . . . . 10 ALA H . 11108 1 37 . 1 1 10 10 ALA HA H 1 4.260 0.030 . 1 . . . . 10 ALA HA . 11108 1 38 . 1 1 10 10 ALA HB1 H 1 1.372 0.030 . 1 . . . . 10 ALA HB . 11108 1 39 . 1 1 10 10 ALA HB2 H 1 1.372 0.030 . 1 . . . . 10 ALA HB . 11108 1 40 . 1 1 10 10 ALA HB3 H 1 1.372 0.030 . 1 . . . . 10 ALA HB . 11108 1 41 . 1 1 10 10 ALA C C 13 178.424 0.300 . 1 . . . . 10 ALA C . 11108 1 42 . 1 1 10 10 ALA CA C 13 52.758 0.300 . 1 . . . . 10 ALA CA . 11108 1 43 . 1 1 10 10 ALA CB C 13 19.017 0.300 . 1 . . . . 10 ALA CB . 11108 1 44 . 1 1 10 10 ALA N N 15 123.662 0.300 . 1 . . . . 10 ALA N . 11108 1 45 . 1 1 11 11 GLY H H 1 8.376 0.030 . 1 . . . . 11 GLY H . 11108 1 46 . 1 1 11 11 GLY HA2 H 1 3.926 0.030 . 1 . . . . 11 GLY HA2 . 11108 1 47 . 1 1 11 11 GLY HA3 H 1 3.926 0.030 . 1 . . . . 11 GLY HA3 . 11108 1 48 . 1 1 11 11 GLY C C 13 174.042 0.300 . 1 . . . . 11 GLY C . 11108 1 49 . 1 1 11 11 GLY CA C 13 45.245 0.300 . 1 . . . . 11 GLY CA . 11108 1 50 . 1 1 11 11 GLY N N 15 108.520 0.300 . 1 . . . . 11 GLY N . 11108 1 51 . 1 1 12 12 ALA H H 1 8.089 0.030 . 1 . . . . 12 ALA H . 11108 1 52 . 1 1 12 12 ALA HA H 1 4.279 0.030 . 1 . . . . 12 ALA HA . 11108 1 53 . 1 1 12 12 ALA HB1 H 1 1.391 0.030 . 1 . . . . 12 ALA HB . 11108 1 54 . 1 1 12 12 ALA HB2 H 1 1.391 0.030 . 1 . . . . 12 ALA HB . 11108 1 55 . 1 1 12 12 ALA HB3 H 1 1.391 0.030 . 1 . . . . 12 ALA HB . 11108 1 56 . 1 1 12 12 ALA C C 13 177.779 0.300 . 1 . . . . 12 ALA C . 11108 1 57 . 1 1 12 12 ALA CA C 13 52.588 0.300 . 1 . . . . 12 ALA CA . 11108 1 58 . 1 1 12 12 ALA CB C 13 19.394 0.300 . 1 . . . . 12 ALA CB . 11108 1 59 . 1 1 12 12 ALA N N 15 123.835 0.300 . 1 . . . . 12 ALA N . 11108 1 60 . 1 1 13 13 ALA H H 1 8.323 0.030 . 1 . . . . 13 ALA H . 11108 1 61 . 1 1 13 13 ALA HA H 1 4.273 0.030 . 1 . . . . 13 ALA HA . 11108 1 62 . 1 1 13 13 ALA HB1 H 1 1.381 0.030 . 1 . . . . 13 ALA HB . 11108 1 63 . 1 1 13 13 ALA HB2 H 1 1.381 0.030 . 1 . . . . 13 ALA HB . 11108 1 64 . 1 1 13 13 ALA HB3 H 1 1.381 0.030 . 1 . . . . 13 ALA HB . 11108 1 65 . 1 1 13 13 ALA C C 13 178.016 0.300 . 1 . . . . 13 ALA C . 11108 1 66 . 1 1 13 13 ALA CA C 13 52.601 0.300 . 1 . . . . 13 ALA CA . 11108 1 67 . 1 1 13 13 ALA CB C 13 19.051 0.300 . 1 . . . . 13 ALA CB . 11108 1 68 . 1 1 13 13 ALA N N 15 123.228 0.300 . 1 . . . . 13 ALA N . 11108 1 69 . 1 1 14 14 GLU H H 1 8.316 0.030 . 1 . . . . 14 GLU H . 11108 1 70 . 1 1 14 14 GLU HA H 1 4.194 0.030 . 1 . . . . 14 GLU HA . 11108 1 71 . 1 1 14 14 GLU HB2 H 1 2.023 0.030 . 2 . . . . 14 GLU HB2 . 11108 1 72 . 1 1 14 14 GLU HB3 H 1 1.918 0.030 . 2 . . . . 14 GLU HB3 . 11108 1 73 . 1 1 14 14 GLU HG2 H 1 2.245 0.030 . 2 . . . . 14 GLU HG2 . 11108 1 74 . 1 1 14 14 GLU C C 13 176.355 0.300 . 1 . . . . 14 GLU C . 11108 1 75 . 1 1 14 14 GLU CA C 13 56.676 0.300 . 1 . . . . 14 GLU CA . 11108 1 76 . 1 1 14 14 GLU CB C 13 30.217 0.300 . 1 . . . . 14 GLU CB . 11108 1 77 . 1 1 14 14 GLU CG C 13 36.256 0.300 . 1 . . . . 14 GLU CG . 11108 1 78 . 1 1 14 14 GLU N N 15 119.893 0.300 . 1 . . . . 14 GLU N . 11108 1 79 . 1 1 15 15 ALA H H 1 8.199 0.030 . 1 . . . . 15 ALA H . 11108 1 80 . 1 1 15 15 ALA HA H 1 4.269 0.030 . 1 . . . . 15 ALA HA . 11108 1 81 . 1 1 15 15 ALA HB1 H 1 1.362 0.030 . 1 . . . . 15 ALA HB . 11108 1 82 . 1 1 15 15 ALA HB2 H 1 1.362 0.030 . 1 . . . . 15 ALA HB . 11108 1 83 . 1 1 15 15 ALA HB3 H 1 1.362 0.030 . 1 . . . . 15 ALA HB . 11108 1 84 . 1 1 15 15 ALA C C 13 177.385 0.300 . 1 . . . . 15 ALA C . 11108 1 85 . 1 1 15 15 ALA CA C 13 52.397 0.300 . 1 . . . . 15 ALA CA . 11108 1 86 . 1 1 15 15 ALA CB C 13 19.188 0.300 . 1 . . . . 15 ALA CB . 11108 1 87 . 1 1 15 15 ALA N N 15 124.836 0.300 . 1 . . . . 15 ALA N . 11108 1 88 . 1 1 16 16 ALA H H 1 8.192 0.030 . 1 . . . . 16 ALA H . 11108 1 89 . 1 1 16 16 ALA HA H 1 4.276 0.030 . 1 . . . . 16 ALA HA . 11108 1 90 . 1 1 16 16 ALA HB1 H 1 1.353 0.030 . 1 . . . . 16 ALA HB . 11108 1 91 . 1 1 16 16 ALA HB2 H 1 1.353 0.030 . 1 . . . . 16 ALA HB . 11108 1 92 . 1 1 16 16 ALA HB3 H 1 1.353 0.030 . 1 . . . . 16 ALA HB . 11108 1 93 . 1 1 16 16 ALA C C 13 177.629 0.300 . 1 . . . . 16 ALA C . 11108 1 94 . 1 1 16 16 ALA CA C 13 52.443 0.300 . 1 . . . . 16 ALA CA . 11108 1 95 . 1 1 16 16 ALA CB C 13 19.154 0.300 . 1 . . . . 16 ALA CB . 11108 1 96 . 1 1 16 16 ALA N N 15 123.608 0.300 . 1 . . . . 16 ALA N . 11108 1 97 . 1 1 17 17 VAL H H 1 8.046 0.030 . 1 . . . . 17 VAL H . 11108 1 98 . 1 1 17 17 VAL HA H 1 4.048 0.030 . 1 . . . . 17 VAL HA . 11108 1 99 . 1 1 17 17 VAL HB H 1 2.016 0.030 . 1 . . . . 17 VAL HB . 11108 1 100 . 1 1 17 17 VAL HG11 H 1 0.912 0.030 . 1 . . . . 17 VAL HG1 . 11108 1 101 . 1 1 17 17 VAL HG12 H 1 0.912 0.030 . 1 . . . . 17 VAL HG1 . 11108 1 102 . 1 1 17 17 VAL HG13 H 1 0.912 0.030 . 1 . . . . 17 VAL HG1 . 11108 1 103 . 1 1 17 17 VAL HG21 H 1 0.909 0.030 . 1 . . . . 17 VAL HG2 . 11108 1 104 . 1 1 17 17 VAL HG22 H 1 0.909 0.030 . 1 . . . . 17 VAL HG2 . 11108 1 105 . 1 1 17 17 VAL HG23 H 1 0.909 0.030 . 1 . . . . 17 VAL HG2 . 11108 1 106 . 1 1 17 17 VAL C C 13 175.787 0.300 . 1 . . . . 17 VAL C . 11108 1 107 . 1 1 17 17 VAL CA C 13 62.025 0.300 . 1 . . . . 17 VAL CA . 11108 1 108 . 1 1 17 17 VAL CB C 13 33.000 0.300 . 1 . . . . 17 VAL CB . 11108 1 109 . 1 1 17 17 VAL CG1 C 13 20.673 0.300 . 2 . . . . 17 VAL CG1 . 11108 1 110 . 1 1 17 17 VAL CG2 C 13 21.105 0.300 . 2 . . . . 17 VAL CG2 . 11108 1 111 . 1 1 17 17 VAL N N 15 119.541 0.300 . 1 . . . . 17 VAL N . 11108 1 112 . 1 1 18 18 ALA H H 1 8.374 0.030 . 1 . . . . 18 ALA H . 11108 1 113 . 1 1 18 18 ALA HA H 1 4.289 0.030 . 1 . . . . 18 ALA HA . 11108 1 114 . 1 1 18 18 ALA HB1 H 1 1.333 0.030 . 1 . . . . 18 ALA HB . 11108 1 115 . 1 1 18 18 ALA HB2 H 1 1.333 0.030 . 1 . . . . 18 ALA HB . 11108 1 116 . 1 1 18 18 ALA HB3 H 1 1.333 0.030 . 1 . . . . 18 ALA HB . 11108 1 117 . 1 1 18 18 ALA C C 13 176.545 0.300 . 1 . . . . 18 ALA C . 11108 1 118 . 1 1 18 18 ALA CA C 13 52.279 0.300 . 1 . . . . 18 ALA CA . 11108 1 119 . 1 1 18 18 ALA CB C 13 19.462 0.300 . 1 . . . . 18 ALA CB . 11108 1 120 . 1 1 18 18 ALA N N 15 128.337 0.300 . 1 . . . . 18 ALA N . 11108 1 121 . 1 1 19 19 ALA H H 1 8.181 0.030 . 1 . . . . 19 ALA H . 11108 1 122 . 1 1 19 19 ALA HA H 1 4.318 0.030 . 1 . . . . 19 ALA HA . 11108 1 123 . 1 1 19 19 ALA HB1 H 1 1.315 0.030 . 1 . . . . 19 ALA HB . 11108 1 124 . 1 1 19 19 ALA HB2 H 1 1.315 0.030 . 1 . . . . 19 ALA HB . 11108 1 125 . 1 1 19 19 ALA HB3 H 1 1.315 0.030 . 1 . . . . 19 ALA HB . 11108 1 126 . 1 1 19 19 ALA C C 13 176.799 0.300 . 1 . . . . 19 ALA C . 11108 1 127 . 1 1 19 19 ALA CA C 13 52.150 0.300 . 1 . . . . 19 ALA CA . 11108 1 128 . 1 1 19 19 ALA CB C 13 20.252 0.300 . 1 . . . . 19 ALA CB . 11108 1 129 . 1 1 19 19 ALA N N 15 123.255 0.300 . 1 . . . . 19 ALA N . 11108 1 130 . 1 1 20 20 VAL H H 1 7.914 0.030 . 1 . . . . 20 VAL H . 11108 1 131 . 1 1 20 20 VAL HA H 1 4.198 0.030 . 1 . . . . 20 VAL HA . 11108 1 132 . 1 1 20 20 VAL HB H 1 1.820 0.030 . 1 . . . . 20 VAL HB . 11108 1 133 . 1 1 20 20 VAL HG11 H 1 0.708 0.030 . 1 . . . . 20 VAL HG1 . 11108 1 134 . 1 1 20 20 VAL HG12 H 1 0.708 0.030 . 1 . . . . 20 VAL HG1 . 11108 1 135 . 1 1 20 20 VAL HG13 H 1 0.708 0.030 . 1 . . . . 20 VAL HG1 . 11108 1 136 . 1 1 20 20 VAL HG21 H 1 0.708 0.030 . 1 . . . . 20 VAL HG2 . 11108 1 137 . 1 1 20 20 VAL HG22 H 1 0.708 0.030 . 1 . . . . 20 VAL HG2 . 11108 1 138 . 1 1 20 20 VAL HG23 H 1 0.708 0.030 . 1 . . . . 20 VAL HG2 . 11108 1 139 . 1 1 20 20 VAL C C 13 175.814 0.300 . 1 . . . . 20 VAL C . 11108 1 140 . 1 1 20 20 VAL CA C 13 61.598 0.300 . 1 . . . . 20 VAL CA . 11108 1 141 . 1 1 20 20 VAL CB C 13 32.200 0.300 . 1 . . . . 20 VAL CB . 11108 1 142 . 1 1 20 20 VAL CG1 C 13 20.854 0.300 . 1 . . . . 20 VAL CG1 . 11108 1 143 . 1 1 20 20 VAL CG2 C 13 20.854 0.300 . 1 . . . . 20 VAL CG2 . 11108 1 144 . 1 1 20 20 VAL N N 15 119.957 0.300 . 1 . . . . 20 VAL N . 11108 1 145 . 1 1 21 21 GLU H H 1 8.252 0.030 . 1 . . . . 21 GLU H . 11108 1 146 . 1 1 21 21 GLU HA H 1 4.300 0.030 . 1 . . . . 21 GLU HA . 11108 1 147 . 1 1 21 21 GLU HB2 H 1 2.030 0.030 . 2 . . . . 21 GLU HB2 . 11108 1 148 . 1 1 21 21 GLU HB3 H 1 1.939 0.030 . 2 . . . . 21 GLU HB3 . 11108 1 149 . 1 1 21 21 GLU HG2 H 1 2.301 0.030 . 2 . . . . 21 GLU HG2 . 11108 1 150 . 1 1 21 21 GLU HG3 H 1 2.187 0.030 . 2 . . . . 21 GLU HG3 . 11108 1 151 . 1 1 21 21 GLU C C 13 174.898 0.300 . 1 . . . . 21 GLU C . 11108 1 152 . 1 1 21 21 GLU CA C 13 56.568 0.300 . 1 . . . . 21 GLU CA . 11108 1 153 . 1 1 21 21 GLU CB C 13 31.449 0.300 . 1 . . . . 21 GLU CB . 11108 1 154 . 1 1 21 21 GLU CG C 13 36.367 0.300 . 1 . . . . 21 GLU CG . 11108 1 155 . 1 1 21 21 GLU N N 15 127.773 0.300 . 1 . . . . 21 GLU N . 11108 1 156 . 1 1 22 22 GLU H H 1 8.585 0.030 . 1 . . . . 22 GLU H . 11108 1 157 . 1 1 22 22 GLU HA H 1 4.851 0.030 . 1 . . . . 22 GLU HA . 11108 1 158 . 1 1 22 22 GLU HB2 H 1 1.971 0.030 . 2 . . . . 22 GLU HB2 . 11108 1 159 . 1 1 22 22 GLU HB3 H 1 1.899 0.030 . 2 . . . . 22 GLU HB3 . 11108 1 160 . 1 1 22 22 GLU HG2 H 1 2.189 0.030 . 2 . . . . 22 GLU HG2 . 11108 1 161 . 1 1 22 22 GLU HG3 H 1 2.147 0.030 . 2 . . . . 22 GLU HG3 . 11108 1 162 . 1 1 22 22 GLU C C 13 176.356 0.300 . 1 . . . . 22 GLU C . 11108 1 163 . 1 1 22 22 GLU CA C 13 55.210 0.300 . 1 . . . . 22 GLU CA . 11108 1 164 . 1 1 22 22 GLU CB C 13 31.768 0.300 . 1 . . . . 22 GLU CB . 11108 1 165 . 1 1 22 22 GLU CG C 13 36.367 0.300 . 1 . . . . 22 GLU CG . 11108 1 166 . 1 1 22 22 GLU N N 15 121.663 0.300 . 1 . . . . 22 GLU N . 11108 1 167 . 1 1 23 23 VAL H H 1 8.435 0.030 . 1 . . . . 23 VAL H . 11108 1 168 . 1 1 23 23 VAL HA H 1 4.193 0.030 . 1 . . . . 23 VAL HA . 11108 1 169 . 1 1 23 23 VAL HB H 1 1.950 0.030 . 1 . . . . 23 VAL HB . 11108 1 170 . 1 1 23 23 VAL HG11 H 1 1.015 0.030 . 1 . . . . 23 VAL HG1 . 11108 1 171 . 1 1 23 23 VAL HG12 H 1 1.015 0.030 . 1 . . . . 23 VAL HG1 . 11108 1 172 . 1 1 23 23 VAL HG13 H 1 1.015 0.030 . 1 . . . . 23 VAL HG1 . 11108 1 173 . 1 1 23 23 VAL HG21 H 1 0.876 0.030 . 1 . . . . 23 VAL HG2 . 11108 1 174 . 1 1 23 23 VAL HG22 H 1 0.876 0.030 . 1 . . . . 23 VAL HG2 . 11108 1 175 . 1 1 23 23 VAL HG23 H 1 0.876 0.030 . 1 . . . . 23 VAL HG2 . 11108 1 176 . 1 1 23 23 VAL C C 13 176.043 0.300 . 1 . . . . 23 VAL C . 11108 1 177 . 1 1 23 23 VAL CA C 13 61.746 0.300 . 1 . . . . 23 VAL CA . 11108 1 178 . 1 1 23 23 VAL CB C 13 32.771 0.300 . 1 . . . . 23 VAL CB . 11108 1 179 . 1 1 23 23 VAL CG1 C 13 22.788 0.300 . 2 . . . . 23 VAL CG1 . 11108 1 180 . 1 1 23 23 VAL CG2 C 13 21.752 0.300 . 2 . . . . 23 VAL CG2 . 11108 1 181 . 1 1 23 23 VAL N N 15 124.044 0.300 . 1 . . . . 23 VAL N . 11108 1 182 . 1 1 24 24 GLY H H 1 8.673 0.030 . 1 . . . . 24 GLY H . 11108 1 183 . 1 1 24 24 GLY HA2 H 1 4.331 0.030 . 2 . . . . 24 GLY HA2 . 11108 1 184 . 1 1 24 24 GLY HA3 H 1 3.857 0.030 . 2 . . . . 24 GLY HA3 . 11108 1 185 . 1 1 24 24 GLY C C 13 173.427 0.300 . 1 . . . . 24 GLY C . 11108 1 186 . 1 1 24 24 GLY CA C 13 45.567 0.300 . 1 . . . . 24 GLY CA . 11108 1 187 . 1 1 24 24 GLY N N 15 112.089 0.300 . 1 . . . . 24 GLY N . 11108 1 188 . 1 1 25 25 SER H H 1 7.354 0.030 . 1 . . . . 25 SER H . 11108 1 189 . 1 1 25 25 SER HA H 1 4.804 0.030 . 1 . . . . 25 SER HA . 11108 1 190 . 1 1 25 25 SER HB2 H 1 4.217 0.030 . 2 . . . . 25 SER HB2 . 11108 1 191 . 1 1 25 25 SER HB3 H 1 4.097 0.030 . 2 . . . . 25 SER HB3 . 11108 1 192 . 1 1 25 25 SER C C 13 173.807 0.300 . 1 . . . . 25 SER C . 11108 1 193 . 1 1 25 25 SER CA C 13 57.130 0.300 . 1 . . . . 25 SER CA . 11108 1 194 . 1 1 25 25 SER CB C 13 66.391 0.300 . 1 . . . . 25 SER CB . 11108 1 195 . 1 1 25 25 SER N N 15 109.967 0.300 . 1 . . . . 25 SER N . 11108 1 196 . 1 1 26 26 ALA H H 1 9.499 0.030 . 1 . . . . 26 ALA H . 11108 1 197 . 1 1 26 26 ALA HA H 1 3.961 0.030 . 1 . . . . 26 ALA HA . 11108 1 198 . 1 1 26 26 ALA HB1 H 1 1.435 0.030 . 1 . . . . 26 ALA HB . 11108 1 199 . 1 1 26 26 ALA HB2 H 1 1.435 0.030 . 1 . . . . 26 ALA HB . 11108 1 200 . 1 1 26 26 ALA HB3 H 1 1.435 0.030 . 1 . . . . 26 ALA HB . 11108 1 201 . 1 1 26 26 ALA C C 13 179.935 0.300 . 1 . . . . 26 ALA C . 11108 1 202 . 1 1 26 26 ALA CA C 13 55.199 0.300 . 1 . . . . 26 ALA CA . 11108 1 203 . 1 1 26 26 ALA CB C 13 18.196 0.300 . 1 . . . . 26 ALA CB . 11108 1 204 . 1 1 26 26 ALA N N 15 125.330 0.300 . 1 . . . . 26 ALA N . 11108 1 205 . 1 1 27 27 GLY H H 1 8.960 0.030 . 1 . . . . 27 GLY H . 11108 1 206 . 1 1 27 27 GLY HA2 H 1 3.913 0.030 . 2 . . . . 27 GLY HA2 . 11108 1 207 . 1 1 27 27 GLY HA3 H 1 3.845 0.030 . 2 . . . . 27 GLY HA3 . 11108 1 208 . 1 1 27 27 GLY C C 13 177.078 0.300 . 1 . . . . 27 GLY C . 11108 1 209 . 1 1 27 27 GLY CA C 13 47.071 0.300 . 1 . . . . 27 GLY CA . 11108 1 210 . 1 1 27 27 GLY N N 15 106.877 0.300 . 1 . . . . 27 GLY N . 11108 1 211 . 1 1 28 28 GLN H H 1 7.795 0.030 . 1 . . . . 28 GLN H . 11108 1 212 . 1 1 28 28 GLN HA H 1 4.135 0.030 . 1 . . . . 28 GLN HA . 11108 1 213 . 1 1 28 28 GLN HB2 H 1 2.172 0.030 . 2 . . . . 28 GLN HB2 . 11108 1 214 . 1 1 28 28 GLN HB3 H 1 2.080 0.030 . 2 . . . . 28 GLN HB3 . 11108 1 215 . 1 1 28 28 GLN HE21 H 1 7.838 0.030 . 2 . . . . 28 GLN HE21 . 11108 1 216 . 1 1 28 28 GLN HE22 H 1 7.045 0.030 . 2 . . . . 28 GLN HE22 . 11108 1 217 . 1 1 28 28 GLN HG2 H 1 2.598 0.030 . 2 . . . . 28 GLN HG2 . 11108 1 218 . 1 1 28 28 GLN HG3 H 1 2.351 0.030 . 2 . . . . 28 GLN HG3 . 11108 1 219 . 1 1 28 28 GLN C C 13 178.502 0.300 . 1 . . . . 28 GLN C . 11108 1 220 . 1 1 28 28 GLN CA C 13 58.403 0.300 . 1 . . . . 28 GLN CA . 11108 1 221 . 1 1 28 28 GLN CB C 13 28.676 0.300 . 1 . . . . 28 GLN CB . 11108 1 222 . 1 1 28 28 GLN CG C 13 33.756 0.300 . 1 . . . . 28 GLN CG . 11108 1 223 . 1 1 28 28 GLN N N 15 121.931 0.300 . 1 . . . . 28 GLN N . 11108 1 224 . 1 1 28 28 GLN NE2 N 15 112.608 0.300 . 1 . . . . 28 GLN NE2 . 11108 1 225 . 1 1 29 29 PHE H H 1 7.985 0.030 . 1 . . . . 29 PHE H . 11108 1 226 . 1 1 29 29 PHE HA H 1 3.913 0.030 . 1 . . . . 29 PHE HA . 11108 1 227 . 1 1 29 29 PHE HB2 H 1 3.326 0.030 . 2 . . . . 29 PHE HB2 . 11108 1 228 . 1 1 29 29 PHE HB3 H 1 2.983 0.030 . 2 . . . . 29 PHE HB3 . 11108 1 229 . 1 1 29 29 PHE HD1 H 1 6.994 0.030 . 1 . . . . 29 PHE HD1 . 11108 1 230 . 1 1 29 29 PHE HD2 H 1 6.994 0.030 . 1 . . . . 29 PHE HD2 . 11108 1 231 . 1 1 29 29 PHE HE1 H 1 6.935 0.030 . 1 . . . . 29 PHE HE1 . 11108 1 232 . 1 1 29 29 PHE HE2 H 1 6.935 0.030 . 1 . . . . 29 PHE HE2 . 11108 1 233 . 1 1 29 29 PHE HZ H 1 6.528 0.030 . 1 . . . . 29 PHE HZ . 11108 1 234 . 1 1 29 29 PHE C C 13 175.481 0.300 . 1 . . . . 29 PHE C . 11108 1 235 . 1 1 29 29 PHE CA C 13 62.225 0.300 . 1 . . . . 29 PHE CA . 11108 1 236 . 1 1 29 29 PHE CB C 13 38.966 0.300 . 1 . . . . 29 PHE CB . 11108 1 237 . 1 1 29 29 PHE CD1 C 13 131.102 0.300 . 1 . . . . 29 PHE CD1 . 11108 1 238 . 1 1 29 29 PHE CD2 C 13 131.102 0.300 . 1 . . . . 29 PHE CD2 . 11108 1 239 . 1 1 29 29 PHE CE1 C 13 130.909 0.300 . 1 . . . . 29 PHE CE1 . 11108 1 240 . 1 1 29 29 PHE CE2 C 13 130.909 0.300 . 1 . . . . 29 PHE CE2 . 11108 1 241 . 1 1 29 29 PHE CZ C 13 129.334 0.300 . 1 . . . . 29 PHE CZ . 11108 1 242 . 1 1 29 29 PHE N N 15 121.011 0.300 . 1 . . . . 29 PHE N . 11108 1 243 . 1 1 30 30 GLU H H 1 8.313 0.030 . 1 . . . . 30 GLU H . 11108 1 244 . 1 1 30 30 GLU HA H 1 3.660 0.030 . 1 . . . . 30 GLU HA . 11108 1 245 . 1 1 30 30 GLU HB2 H 1 2.109 0.030 . 2 . . . . 30 GLU HB2 . 11108 1 246 . 1 1 30 30 GLU HB3 H 1 2.065 0.030 . 2 . . . . 30 GLU HB3 . 11108 1 247 . 1 1 30 30 GLU HG2 H 1 2.519 0.030 . 2 . . . . 30 GLU HG2 . 11108 1 248 . 1 1 30 30 GLU HG3 H 1 2.355 0.030 . 2 . . . . 30 GLU HG3 . 11108 1 249 . 1 1 30 30 GLU C C 13 179.538 0.300 . 1 . . . . 30 GLU C . 11108 1 250 . 1 1 30 30 GLU CA C 13 59.452 0.300 . 1 . . . . 30 GLU CA . 11108 1 251 . 1 1 30 30 GLU CB C 13 29.243 0.300 . 1 . . . . 30 GLU CB . 11108 1 252 . 1 1 30 30 GLU CG C 13 36.367 0.300 . 1 . . . . 30 GLU CG . 11108 1 253 . 1 1 30 30 GLU N N 15 117.039 0.300 . 1 . . . . 30 GLU N . 11108 1 254 . 1 1 31 31 GLU H H 1 7.673 0.030 . 1 . . . . 31 GLU H . 11108 1 255 . 1 1 31 31 GLU HA H 1 4.051 0.030 . 1 . . . . 31 GLU HA . 11108 1 256 . 1 1 31 31 GLU HB2 H 1 2.052 0.030 . 1 . . . . 31 GLU HB2 . 11108 1 257 . 1 1 31 31 GLU HB3 H 1 2.052 0.030 . 1 . . . . 31 GLU HB3 . 11108 1 258 . 1 1 31 31 GLU HG2 H 1 2.245 0.030 . 1 . . . . 31 GLU HG2 . 11108 1 259 . 1 1 31 31 GLU HG3 H 1 2.245 0.030 . 1 . . . . 31 GLU HG3 . 11108 1 260 . 1 1 31 31 GLU C C 13 178.101 0.300 . 1 . . . . 31 GLU C . 11108 1 261 . 1 1 31 31 GLU CA C 13 59.043 0.300 . 1 . . . . 31 GLU CA . 11108 1 262 . 1 1 31 31 GLU CB C 13 29.542 0.300 . 1 . . . . 31 GLU CB . 11108 1 263 . 1 1 31 31 GLU CG C 13 36.048 0.300 . 1 . . . . 31 GLU CG . 11108 1 264 . 1 1 31 31 GLU N N 15 118.895 0.300 . 1 . . . . 31 GLU N . 11108 1 265 . 1 1 32 32 LEU H H 1 7.936 0.030 . 1 . . . . 32 LEU H . 11108 1 266 . 1 1 32 32 LEU HA H 1 3.859 0.030 . 1 . . . . 32 LEU HA . 11108 1 267 . 1 1 32 32 LEU HB2 H 1 1.574 0.030 . 2 . . . . 32 LEU HB2 . 11108 1 268 . 1 1 32 32 LEU HB3 H 1 1.461 0.030 . 2 . . . . 32 LEU HB3 . 11108 1 269 . 1 1 32 32 LEU HD11 H 1 0.769 0.030 . 1 . . . . 32 LEU HD1 . 11108 1 270 . 1 1 32 32 LEU HD12 H 1 0.769 0.030 . 1 . . . . 32 LEU HD1 . 11108 1 271 . 1 1 32 32 LEU HD13 H 1 0.769 0.030 . 1 . . . . 32 LEU HD1 . 11108 1 272 . 1 1 32 32 LEU HD21 H 1 0.704 0.030 . 1 . . . . 32 LEU HD2 . 11108 1 273 . 1 1 32 32 LEU HD22 H 1 0.704 0.030 . 1 . . . . 32 LEU HD2 . 11108 1 274 . 1 1 32 32 LEU HD23 H 1 0.704 0.030 . 1 . . . . 32 LEU HD2 . 11108 1 275 . 1 1 32 32 LEU HG H 1 1.394 0.030 . 1 . . . . 32 LEU HG . 11108 1 276 . 1 1 32 32 LEU C C 13 178.118 0.300 . 1 . . . . 32 LEU C . 11108 1 277 . 1 1 32 32 LEU CA C 13 58.097 0.300 . 1 . . . . 32 LEU CA . 11108 1 278 . 1 1 32 32 LEU CB C 13 41.820 0.300 . 1 . . . . 32 LEU CB . 11108 1 279 . 1 1 32 32 LEU CD1 C 13 24.932 0.300 . 2 . . . . 32 LEU CD1 . 11108 1 280 . 1 1 32 32 LEU CD2 C 13 26.096 0.300 . 2 . . . . 32 LEU CD2 . 11108 1 281 . 1 1 32 32 LEU CG C 13 26.592 0.300 . 1 . . . . 32 LEU CG . 11108 1 282 . 1 1 32 32 LEU N N 15 122.218 0.300 . 1 . . . . 32 LEU N . 11108 1 283 . 1 1 33 33 LEU H H 1 7.563 0.030 . 1 . . . . 33 LEU H . 11108 1 284 . 1 1 33 33 LEU HA H 1 3.336 0.030 . 1 . . . . 33 LEU HA . 11108 1 285 . 1 1 33 33 LEU HB2 H 1 1.396 0.030 . 2 . . . . 33 LEU HB2 . 11108 1 286 . 1 1 33 33 LEU HB3 H 1 1.064 0.030 . 2 . . . . 33 LEU HB3 . 11108 1 287 . 1 1 33 33 LEU HD11 H 1 0.139 0.030 . 1 . . . . 33 LEU HD1 . 11108 1 288 . 1 1 33 33 LEU HD12 H 1 0.139 0.030 . 1 . . . . 33 LEU HD1 . 11108 1 289 . 1 1 33 33 LEU HD13 H 1 0.139 0.030 . 1 . . . . 33 LEU HD1 . 11108 1 290 . 1 1 33 33 LEU HD21 H 1 -0.268 0.030 . 1 . . . . 33 LEU HD2 . 11108 1 291 . 1 1 33 33 LEU HD22 H 1 -0.268 0.030 . 1 . . . . 33 LEU HD2 . 11108 1 292 . 1 1 33 33 LEU HD23 H 1 -0.268 0.030 . 1 . . . . 33 LEU HD2 . 11108 1 293 . 1 1 33 33 LEU HG H 1 0.748 0.030 . 1 . . . . 33 LEU HG . 11108 1 294 . 1 1 33 33 LEU C C 13 179.584 0.300 . 1 . . . . 33 LEU C . 11108 1 295 . 1 1 33 33 LEU CA C 13 57.643 0.300 . 1 . . . . 33 LEU CA . 11108 1 296 . 1 1 33 33 LEU CB C 13 41.703 0.300 . 1 . . . . 33 LEU CB . 11108 1 297 . 1 1 33 33 LEU CD1 C 13 25.018 0.300 . 2 . . . . 33 LEU CD1 . 11108 1 298 . 1 1 33 33 LEU CD2 C 13 22.636 0.300 . 2 . . . . 33 LEU CD2 . 11108 1 299 . 1 1 33 33 LEU CG C 13 26.023 0.300 . 1 . . . . 33 LEU CG . 11108 1 300 . 1 1 33 33 LEU N N 15 116.468 0.300 . 1 . . . . 33 LEU N . 11108 1 301 . 1 1 34 34 ARG H H 1 6.994 0.030 . 1 . . . . 34 ARG H . 11108 1 302 . 1 1 34 34 ARG HA H 1 3.971 0.030 . 1 . . . . 34 ARG HA . 11108 1 303 . 1 1 34 34 ARG HB2 H 1 1.868 0.030 . 1 . . . . 34 ARG HB2 . 11108 1 304 . 1 1 34 34 ARG HB3 H 1 1.868 0.030 . 1 . . . . 34 ARG HB3 . 11108 1 305 . 1 1 34 34 ARG HD2 H 1 3.193 0.030 . 1 . . . . 34 ARG HD2 . 11108 1 306 . 1 1 34 34 ARG HD3 H 1 3.193 0.030 . 1 . . . . 34 ARG HD3 . 11108 1 307 . 1 1 34 34 ARG HG2 H 1 1.684 0.030 . 2 . . . . 34 ARG HG2 . 11108 1 308 . 1 1 34 34 ARG HG3 H 1 1.463 0.030 . 2 . . . . 34 ARG HG3 . 11108 1 309 . 1 1 34 34 ARG C C 13 179.553 0.300 . 1 . . . . 34 ARG C . 11108 1 310 . 1 1 34 34 ARG CA C 13 58.830 0.300 . 1 . . . . 34 ARG CA . 11108 1 311 . 1 1 34 34 ARG CB C 13 30.697 0.300 . 1 . . . . 34 ARG CB . 11108 1 312 . 1 1 34 34 ARG CD C 13 43.290 0.300 . 1 . . . . 34 ARG CD . 11108 1 313 . 1 1 34 34 ARG CG C 13 27.839 0.300 . 1 . . . . 34 ARG CG . 11108 1 314 . 1 1 34 34 ARG N N 15 115.401 0.300 . 1 . . . . 34 ARG N . 11108 1 315 . 1 1 35 35 LEU H H 1 8.642 0.030 . 1 . . . . 35 LEU H . 11108 1 316 . 1 1 35 35 LEU HA H 1 4.074 0.030 . 1 . . . . 35 LEU HA . 11108 1 317 . 1 1 35 35 LEU HB2 H 1 1.786 0.030 . 2 . . . . 35 LEU HB2 . 11108 1 318 . 1 1 35 35 LEU HB3 H 1 1.558 0.030 . 2 . . . . 35 LEU HB3 . 11108 1 319 . 1 1 35 35 LEU HD11 H 1 0.874 0.030 . 1 . . . . 35 LEU HD1 . 11108 1 320 . 1 1 35 35 LEU HD12 H 1 0.874 0.030 . 1 . . . . 35 LEU HD1 . 11108 1 321 . 1 1 35 35 LEU HD13 H 1 0.874 0.030 . 1 . . . . 35 LEU HD1 . 11108 1 322 . 1 1 35 35 LEU HD21 H 1 0.871 0.030 . 1 . . . . 35 LEU HD2 . 11108 1 323 . 1 1 35 35 LEU HD22 H 1 0.871 0.030 . 1 . . . . 35 LEU HD2 . 11108 1 324 . 1 1 35 35 LEU HD23 H 1 0.871 0.030 . 1 . . . . 35 LEU HD2 . 11108 1 325 . 1 1 35 35 LEU HG H 1 1.703 0.030 . 1 . . . . 35 LEU HG . 11108 1 326 . 1 1 35 35 LEU C C 13 179.942 0.300 . 1 . . . . 35 LEU C . 11108 1 327 . 1 1 35 35 LEU CA C 13 57.604 0.300 . 1 . . . . 35 LEU CA . 11108 1 328 . 1 1 35 35 LEU CB C 13 42.650 0.300 . 1 . . . . 35 LEU CB . 11108 1 329 . 1 1 35 35 LEU CD1 C 13 24.879 0.300 . 2 . . . . 35 LEU CD1 . 11108 1 330 . 1 1 35 35 LEU CD2 C 13 23.365 0.300 . 2 . . . . 35 LEU CD2 . 11108 1 331 . 1 1 35 35 LEU CG C 13 26.867 0.300 . 1 . . . . 35 LEU CG . 11108 1 332 . 1 1 35 35 LEU N N 15 121.002 0.300 . 1 . . . . 35 LEU N . 11108 1 333 . 1 1 36 36 LYS H H 1 8.194 0.030 . 1 . . . . 36 LYS H . 11108 1 334 . 1 1 36 36 LYS HA H 1 4.517 0.030 . 1 . . . . 36 LYS HA . 11108 1 335 . 1 1 36 36 LYS HB2 H 1 1.995 0.030 . 2 . . . . 36 LYS HB2 . 11108 1 336 . 1 1 36 36 LYS HB3 H 1 1.679 0.030 . 2 . . . . 36 LYS HB3 . 11108 1 337 . 1 1 36 36 LYS HD2 H 1 1.526 0.030 . 2 . . . . 36 LYS HD2 . 11108 1 338 . 1 1 36 36 LYS HD3 H 1 1.415 0.030 . 2 . . . . 36 LYS HD3 . 11108 1 339 . 1 1 36 36 LYS HE2 H 1 2.838 0.030 . 2 . . . . 36 LYS HE2 . 11108 1 340 . 1 1 36 36 LYS HE3 H 1 2.755 0.030 . 2 . . . . 36 LYS HE3 . 11108 1 341 . 1 1 36 36 LYS HG2 H 1 1.403 0.030 . 2 . . . . 36 LYS HG2 . 11108 1 342 . 1 1 36 36 LYS HG3 H 1 1.256 0.030 . 2 . . . . 36 LYS HG3 . 11108 1 343 . 1 1 36 36 LYS C C 13 176.741 0.300 . 1 . . . . 36 LYS C . 11108 1 344 . 1 1 36 36 LYS CA C 13 53.623 0.300 . 1 . . . . 36 LYS CA . 11108 1 345 . 1 1 36 36 LYS CB C 13 30.354 0.300 . 1 . . . . 36 LYS CB . 11108 1 346 . 1 1 36 36 LYS CD C 13 28.011 0.300 . 1 . . . . 36 LYS CD . 11108 1 347 . 1 1 36 36 LYS CE C 13 42.571 0.300 . 1 . . . . 36 LYS CE . 11108 1 348 . 1 1 36 36 LYS CG C 13 25.115 0.300 . 1 . . . . 36 LYS CG . 11108 1 349 . 1 1 36 36 LYS N N 15 115.720 0.300 . 1 . . . . 36 LYS N . 11108 1 350 . 1 1 37 37 ALA H H 1 6.943 0.030 . 1 . . . . 37 ALA H . 11108 1 351 . 1 1 37 37 ALA HA H 1 4.338 0.030 . 1 . . . . 37 ALA HA . 11108 1 352 . 1 1 37 37 ALA HB1 H 1 1.595 0.030 . 1 . . . . 37 ALA HB . 11108 1 353 . 1 1 37 37 ALA HB2 H 1 1.595 0.030 . 1 . . . . 37 ALA HB . 11108 1 354 . 1 1 37 37 ALA HB3 H 1 1.595 0.030 . 1 . . . . 37 ALA HB . 11108 1 355 . 1 1 37 37 ALA C C 13 178.713 0.300 . 1 . . . . 37 ALA C . 11108 1 356 . 1 1 37 37 ALA CA C 13 55.709 0.300 . 1 . . . . 37 ALA CA . 11108 1 357 . 1 1 37 37 ALA CB C 13 19.883 0.300 . 1 . . . . 37 ALA CB . 11108 1 358 . 1 1 37 37 ALA N N 15 122.097 0.300 . 1 . . . . 37 ALA N . 11108 1 359 . 1 1 38 38 LYS H H 1 8.340 0.030 . 1 . . . . 38 LYS H . 11108 1 360 . 1 1 38 38 LYS HA H 1 4.375 0.030 . 1 . . . . 38 LYS HA . 11108 1 361 . 1 1 38 38 LYS HB2 H 1 2.071 0.030 . 2 . . . . 38 LYS HB2 . 11108 1 362 . 1 1 38 38 LYS HB3 H 1 1.733 0.030 . 2 . . . . 38 LYS HB3 . 11108 1 363 . 1 1 38 38 LYS HD2 H 1 1.675 0.030 . 1 . . . . 38 LYS HD2 . 11108 1 364 . 1 1 38 38 LYS HD3 H 1 1.675 0.030 . 1 . . . . 38 LYS HD3 . 11108 1 365 . 1 1 38 38 LYS HE2 H 1 3.005 0.030 . 1 . . . . 38 LYS HE2 . 11108 1 366 . 1 1 38 38 LYS HE3 H 1 3.005 0.030 . 1 . . . . 38 LYS HE3 . 11108 1 367 . 1 1 38 38 LYS HG2 H 1 1.521 0.030 . 2 . . . . 38 LYS HG2 . 11108 1 368 . 1 1 38 38 LYS HG3 H 1 1.422 0.030 . 2 . . . . 38 LYS HG3 . 11108 1 369 . 1 1 38 38 LYS C C 13 176.338 0.300 . 1 . . . . 38 LYS C . 11108 1 370 . 1 1 38 38 LYS CA C 13 56.472 0.300 . 1 . . . . 38 LYS CA . 11108 1 371 . 1 1 38 38 LYS CB C 13 31.956 0.300 . 1 . . . . 38 LYS CB . 11108 1 372 . 1 1 38 38 LYS CD C 13 28.920 0.300 . 1 . . . . 38 LYS CD . 11108 1 373 . 1 1 38 38 LYS CE C 13 42.183 0.300 . 1 . . . . 38 LYS CE . 11108 1 374 . 1 1 38 38 LYS CG C 13 25.343 0.300 . 1 . . . . 38 LYS CG . 11108 1 375 . 1 1 38 38 LYS N N 15 113.237 0.300 . 1 . . . . 38 LYS N . 11108 1 376 . 1 1 39 39 SER H H 1 8.244 0.030 . 1 . . . . 39 SER H . 11108 1 377 . 1 1 39 39 SER HA H 1 4.794 0.030 . 1 . . . . 39 SER HA . 11108 1 378 . 1 1 39 39 SER HB2 H 1 3.933 0.030 . 2 . . . . 39 SER HB2 . 11108 1 379 . 1 1 39 39 SER HB3 H 1 3.772 0.030 . 2 . . . . 39 SER HB3 . 11108 1 380 . 1 1 39 39 SER C C 13 171.684 0.300 . 1 . . . . 39 SER C . 11108 1 381 . 1 1 39 39 SER CA C 13 57.115 0.300 . 1 . . . . 39 SER CA . 11108 1 382 . 1 1 39 39 SER CB C 13 65.426 0.300 . 1 . . . . 39 SER CB . 11108 1 383 . 1 1 39 39 SER N N 15 116.786 0.300 . 1 . . . . 39 SER N . 11108 1 384 . 1 1 40 40 LEU H H 1 8.597 0.030 . 1 . . . . 40 LEU H . 11108 1 385 . 1 1 40 40 LEU HA H 1 4.680 0.030 . 1 . . . . 40 LEU HA . 11108 1 386 . 1 1 40 40 LEU HB2 H 1 1.934 0.030 . 2 . . . . 40 LEU HB2 . 11108 1 387 . 1 1 40 40 LEU HB3 H 1 1.324 0.030 . 2 . . . . 40 LEU HB3 . 11108 1 388 . 1 1 40 40 LEU HD11 H 1 1.016 0.030 . 1 . . . . 40 LEU HD1 . 11108 1 389 . 1 1 40 40 LEU HD12 H 1 1.016 0.030 . 1 . . . . 40 LEU HD1 . 11108 1 390 . 1 1 40 40 LEU HD13 H 1 1.016 0.030 . 1 . . . . 40 LEU HD1 . 11108 1 391 . 1 1 40 40 LEU HD21 H 1 0.930 0.030 . 1 . . . . 40 LEU HD2 . 11108 1 392 . 1 1 40 40 LEU HD22 H 1 0.930 0.030 . 1 . . . . 40 LEU HD2 . 11108 1 393 . 1 1 40 40 LEU HD23 H 1 0.930 0.030 . 1 . . . . 40 LEU HD2 . 11108 1 394 . 1 1 40 40 LEU HG H 1 1.409 0.030 . 1 . . . . 40 LEU HG . 11108 1 395 . 1 1 40 40 LEU C C 13 173.758 0.300 . 1 . . . . 40 LEU C . 11108 1 396 . 1 1 40 40 LEU CA C 13 55.079 0.300 . 1 . . . . 40 LEU CA . 11108 1 397 . 1 1 40 40 LEU CB C 13 42.410 0.300 . 1 . . . . 40 LEU CB . 11108 1 398 . 1 1 40 40 LEU CD1 C 13 23.753 0.300 . 2 . . . . 40 LEU CD1 . 11108 1 399 . 1 1 40 40 LEU CD2 C 13 27.123 0.300 . 2 . . . . 40 LEU CD2 . 11108 1 400 . 1 1 40 40 LEU CG C 13 27.199 0.300 . 1 . . . . 40 LEU CG . 11108 1 401 . 1 1 40 40 LEU N N 15 120.467 0.300 . 1 . . . . 40 LEU N . 11108 1 402 . 1 1 41 41 LEU H H 1 8.585 0.030 . 1 . . . . 41 LEU H . 11108 1 403 . 1 1 41 41 LEU HA H 1 5.130 0.030 . 1 . . . . 41 LEU HA . 11108 1 404 . 1 1 41 41 LEU HB2 H 1 1.745 0.030 . 2 . . . . 41 LEU HB2 . 11108 1 405 . 1 1 41 41 LEU HB3 H 1 1.276 0.030 . 2 . . . . 41 LEU HB3 . 11108 1 406 . 1 1 41 41 LEU HD11 H 1 0.612 0.030 . 1 . . . . 41 LEU HD1 . 11108 1 407 . 1 1 41 41 LEU HD12 H 1 0.612 0.030 . 1 . . . . 41 LEU HD1 . 11108 1 408 . 1 1 41 41 LEU HD13 H 1 0.612 0.030 . 1 . . . . 41 LEU HD1 . 11108 1 409 . 1 1 41 41 LEU HD21 H 1 0.339 0.030 . 1 . . . . 41 LEU HD2 . 11108 1 410 . 1 1 41 41 LEU HD22 H 1 0.339 0.030 . 1 . . . . 41 LEU HD2 . 11108 1 411 . 1 1 41 41 LEU HD23 H 1 0.339 0.030 . 1 . . . . 41 LEU HD2 . 11108 1 412 . 1 1 41 41 LEU HG H 1 1.247 0.030 . 1 . . . . 41 LEU HG . 11108 1 413 . 1 1 41 41 LEU C C 13 174.468 0.300 . 1 . . . . 41 LEU C . 11108 1 414 . 1 1 41 41 LEU CA C 13 53.241 0.300 . 1 . . . . 41 LEU CA . 11108 1 415 . 1 1 41 41 LEU CB C 13 45.989 0.300 . 1 . . . . 41 LEU CB . 11108 1 416 . 1 1 41 41 LEU CD1 C 13 24.937 0.300 . 2 . . . . 41 LEU CD1 . 11108 1 417 . 1 1 41 41 LEU CD2 C 13 26.123 0.300 . 2 . . . . 41 LEU CD2 . 11108 1 418 . 1 1 41 41 LEU CG C 13 27.522 0.300 . 1 . . . . 41 LEU CG . 11108 1 419 . 1 1 41 41 LEU N N 15 129.454 0.300 . 1 . . . . 41 LEU N . 11108 1 420 . 1 1 42 42 VAL H H 1 8.925 0.030 . 1 . . . . 42 VAL H . 11108 1 421 . 1 1 42 42 VAL HA H 1 4.365 0.030 . 1 . . . . 42 VAL HA . 11108 1 422 . 1 1 42 42 VAL HB H 1 1.755 0.030 . 1 . . . . 42 VAL HB . 11108 1 423 . 1 1 42 42 VAL HG11 H 1 0.488 0.030 . 1 . . . . 42 VAL HG1 . 11108 1 424 . 1 1 42 42 VAL HG12 H 1 0.488 0.030 . 1 . . . . 42 VAL HG1 . 11108 1 425 . 1 1 42 42 VAL HG13 H 1 0.488 0.030 . 1 . . . . 42 VAL HG1 . 11108 1 426 . 1 1 42 42 VAL HG21 H 1 0.394 0.030 . 1 . . . . 42 VAL HG2 . 11108 1 427 . 1 1 42 42 VAL HG22 H 1 0.394 0.030 . 1 . . . . 42 VAL HG2 . 11108 1 428 . 1 1 42 42 VAL HG23 H 1 0.394 0.030 . 1 . . . . 42 VAL HG2 . 11108 1 429 . 1 1 42 42 VAL C C 13 173.804 0.300 . 1 . . . . 42 VAL C . 11108 1 430 . 1 1 42 42 VAL CA C 13 61.043 0.300 . 1 . . . . 42 VAL CA . 11108 1 431 . 1 1 42 42 VAL CB C 13 33.265 0.300 . 1 . . . . 42 VAL CB . 11108 1 432 . 1 1 42 42 VAL CG1 C 13 20.322 0.300 . 2 . . . . 42 VAL CG1 . 11108 1 433 . 1 1 42 42 VAL CG2 C 13 20.995 0.300 . 2 . . . . 42 VAL CG2 . 11108 1 434 . 1 1 42 42 VAL N N 15 127.833 0.300 . 1 . . . . 42 VAL N . 11108 1 435 . 1 1 43 43 VAL H H 1 8.998 0.030 . 1 . . . . 43 VAL H . 11108 1 436 . 1 1 43 43 VAL HA H 1 4.670 0.030 . 1 . . . . 43 VAL HA . 11108 1 437 . 1 1 43 43 VAL HB H 1 2.035 0.030 . 1 . . . . 43 VAL HB . 11108 1 438 . 1 1 43 43 VAL HG11 H 1 0.327 0.030 . 1 . . . . 43 VAL HG1 . 11108 1 439 . 1 1 43 43 VAL HG12 H 1 0.327 0.030 . 1 . . . . 43 VAL HG1 . 11108 1 440 . 1 1 43 43 VAL HG13 H 1 0.327 0.030 . 1 . . . . 43 VAL HG1 . 11108 1 441 . 1 1 43 43 VAL HG21 H 1 0.803 0.030 . 1 . . . . 43 VAL HG2 . 11108 1 442 . 1 1 43 43 VAL HG22 H 1 0.803 0.030 . 1 . . . . 43 VAL HG2 . 11108 1 443 . 1 1 43 43 VAL HG23 H 1 0.803 0.030 . 1 . . . . 43 VAL HG2 . 11108 1 444 . 1 1 43 43 VAL C C 13 174.918 0.300 . 1 . . . . 43 VAL C . 11108 1 445 . 1 1 43 43 VAL CA C 13 59.856 0.300 . 1 . . . . 43 VAL CA . 11108 1 446 . 1 1 43 43 VAL CB C 13 34.532 0.300 . 1 . . . . 43 VAL CB . 11108 1 447 . 1 1 43 43 VAL CG1 C 13 22.331 0.300 . 2 . . . . 43 VAL CG1 . 11108 1 448 . 1 1 43 43 VAL CG2 C 13 20.829 0.300 . 2 . . . . 43 VAL CG2 . 11108 1 449 . 1 1 43 43 VAL N N 15 124.935 0.300 . 1 . . . . 43 VAL N . 11108 1 450 . 1 1 44 44 HIS H H 1 9.055 0.030 . 1 . . . . 44 HIS H . 11108 1 451 . 1 1 44 44 HIS HA H 1 4.792 0.030 . 1 . . . . 44 HIS HA . 11108 1 452 . 1 1 44 44 HIS HB2 H 1 3.168 0.030 . 2 . . . . 44 HIS HB2 . 11108 1 453 . 1 1 44 44 HIS HB3 H 1 3.065 0.030 . 2 . . . . 44 HIS HB3 . 11108 1 454 . 1 1 44 44 HIS HD2 H 1 5.890 0.030 . 1 . . . . 44 HIS HD2 . 11108 1 455 . 1 1 44 44 HIS HE1 H 1 7.758 0.030 . 1 . . . . 44 HIS HE1 . 11108 1 456 . 1 1 44 44 HIS C C 13 174.108 0.300 . 1 . . . . 44 HIS C . 11108 1 457 . 1 1 44 44 HIS CA C 13 52.397 0.300 . 1 . . . . 44 HIS CA . 11108 1 458 . 1 1 44 44 HIS CB C 13 31.655 0.300 . 1 . . . . 44 HIS CB . 11108 1 459 . 1 1 44 44 HIS CD2 C 13 128.173 0.300 . 1 . . . . 44 HIS CD2 . 11108 1 460 . 1 1 44 44 HIS CE1 C 13 138.475 0.300 . 1 . . . . 44 HIS CE1 . 11108 1 461 . 1 1 44 44 HIS N N 15 126.994 0.300 . 1 . . . . 44 HIS N . 11108 1 462 . 1 1 45 45 PHE H H 1 9.468 0.030 . 1 . . . . 45 PHE H . 11108 1 463 . 1 1 45 45 PHE HA H 1 5.434 0.030 . 1 . . . . 45 PHE HA . 11108 1 464 . 1 1 45 45 PHE HB2 H 1 3.265 0.030 . 2 . . . . 45 PHE HB2 . 11108 1 465 . 1 1 45 45 PHE HB3 H 1 2.510 0.030 . 2 . . . . 45 PHE HB3 . 11108 1 466 . 1 1 45 45 PHE HD1 H 1 7.071 0.030 . 1 . . . . 45 PHE HD1 . 11108 1 467 . 1 1 45 45 PHE HD2 H 1 7.071 0.030 . 1 . . . . 45 PHE HD2 . 11108 1 468 . 1 1 45 45 PHE HE1 H 1 6.919 0.030 . 1 . . . . 45 PHE HE1 . 11108 1 469 . 1 1 45 45 PHE HE2 H 1 6.919 0.030 . 1 . . . . 45 PHE HE2 . 11108 1 470 . 1 1 45 45 PHE HZ H 1 6.662 0.030 . 1 . . . . 45 PHE HZ . 11108 1 471 . 1 1 45 45 PHE C C 13 173.886 0.300 . 1 . . . . 45 PHE C . 11108 1 472 . 1 1 45 45 PHE CA C 13 57.863 0.300 . 1 . . . . 45 PHE CA . 11108 1 473 . 1 1 45 45 PHE CB C 13 39.286 0.300 . 1 . . . . 45 PHE CB . 11108 1 474 . 1 1 45 45 PHE CD1 C 13 132.291 0.300 . 1 . . . . 45 PHE CD1 . 11108 1 475 . 1 1 45 45 PHE CD2 C 13 132.291 0.300 . 1 . . . . 45 PHE CD2 . 11108 1 476 . 1 1 45 45 PHE CE1 C 13 131.369 0.300 . 1 . . . . 45 PHE CE1 . 11108 1 477 . 1 1 45 45 PHE CE2 C 13 131.369 0.300 . 1 . . . . 45 PHE CE2 . 11108 1 478 . 1 1 45 45 PHE CZ C 13 127.843 0.300 . 1 . . . . 45 PHE CZ . 11108 1 479 . 1 1 45 45 PHE N N 15 128.606 0.300 . 1 . . . . 45 PHE N . 11108 1 480 . 1 1 46 46 TRP H H 1 8.190 0.030 . 1 . . . . 46 TRP H . 11108 1 481 . 1 1 46 46 TRP HA H 1 5.051 0.030 . 1 . . . . 46 TRP HA . 11108 1 482 . 1 1 46 46 TRP HB2 H 1 2.888 0.030 . 2 . . . . 46 TRP HB2 . 11108 1 483 . 1 1 46 46 TRP HB3 H 1 1.147 0.030 . 2 . . . . 46 TRP HB3 . 11108 1 484 . 1 1 46 46 TRP HD1 H 1 6.910 0.030 . 1 . . . . 46 TRP HD1 . 11108 1 485 . 1 1 46 46 TRP HE1 H 1 11.024 0.030 . 1 . . . . 46 TRP HE1 . 11108 1 486 . 1 1 46 46 TRP HE3 H 1 6.846 0.030 . 1 . . . . 46 TRP HE3 . 11108 1 487 . 1 1 46 46 TRP HH2 H 1 7.155 0.030 . 1 . . . . 46 TRP HH2 . 11108 1 488 . 1 1 46 46 TRP HZ2 H 1 7.506 0.030 . 1 . . . . 46 TRP HZ2 . 11108 1 489 . 1 1 46 46 TRP HZ3 H 1 6.848 0.030 . 1 . . . . 46 TRP HZ3 . 11108 1 490 . 1 1 46 46 TRP C C 13 173.929 0.300 . 1 . . . . 46 TRP C . 11108 1 491 . 1 1 46 46 TRP CA C 13 54.269 0.300 . 1 . . . . 46 TRP CA . 11108 1 492 . 1 1 46 46 TRP CB C 13 32.651 0.300 . 1 . . . . 46 TRP CB . 11108 1 493 . 1 1 46 46 TRP CD1 C 13 126.172 0.300 . 1 . . . . 46 TRP CD1 . 11108 1 494 . 1 1 46 46 TRP CE3 C 13 118.707 0.300 . 1 . . . . 46 TRP CE3 . 11108 1 495 . 1 1 46 46 TRP CH2 C 13 124.700 0.300 . 1 . . . . 46 TRP CH2 . 11108 1 496 . 1 1 46 46 TRP CZ2 C 13 115.124 0.300 . 1 . . . . 46 TRP CZ2 . 11108 1 497 . 1 1 46 46 TRP CZ3 C 13 121.555 0.300 . 1 . . . . 46 TRP CZ3 . 11108 1 498 . 1 1 46 46 TRP N N 15 121.784 0.300 . 1 . . . . 46 TRP N . 11108 1 499 . 1 1 46 46 TRP NE1 N 15 132.735 0.300 . 1 . . . . 46 TRP NE1 . 11108 1 500 . 1 1 47 47 ALA H H 1 7.237 0.030 . 1 . . . . 47 ALA H . 11108 1 501 . 1 1 47 47 ALA HA H 1 3.702 0.030 . 1 . . . . 47 ALA HA . 11108 1 502 . 1 1 47 47 ALA HB1 H 1 0.103 0.030 . 1 . . . . 47 ALA HB . 11108 1 503 . 1 1 47 47 ALA HB2 H 1 0.103 0.030 . 1 . . . . 47 ALA HB . 11108 1 504 . 1 1 47 47 ALA HB3 H 1 0.103 0.030 . 1 . . . . 47 ALA HB . 11108 1 505 . 1 1 47 47 ALA CA C 13 50.161 0.300 . 1 . . . . 47 ALA CA . 11108 1 506 . 1 1 47 47 ALA CB C 13 21.176 0.300 . 1 . . . . 47 ALA CB . 11108 1 507 . 1 1 47 47 ALA N N 15 119.789 0.300 . 1 . . . . 47 ALA N . 11108 1 508 . 1 1 48 48 PRO HA H 1 4.308 0.030 . 1 . . . . 48 PRO HA . 11108 1 509 . 1 1 48 48 PRO HB2 H 1 2.250 0.030 . 2 . . . . 48 PRO HB2 . 11108 1 510 . 1 1 48 48 PRO HB3 H 1 1.972 0.030 . 2 . . . . 48 PRO HB3 . 11108 1 511 . 1 1 48 48 PRO HD2 H 1 3.337 0.030 . 2 . . . . 48 PRO HD2 . 11108 1 512 . 1 1 48 48 PRO HD3 H 1 2.359 0.030 . 2 . . . . 48 PRO HD3 . 11108 1 513 . 1 1 48 48 PRO HG2 H 1 1.862 0.030 . 2 . . . . 48 PRO HG2 . 11108 1 514 . 1 1 48 48 PRO HG3 H 1 1.800 0.030 . 2 . . . . 48 PRO HG3 . 11108 1 515 . 1 1 48 48 PRO C C 13 176.100 0.300 . 1 . . . . 48 PRO C . 11108 1 516 . 1 1 48 48 PRO CA C 13 63.907 0.300 . 1 . . . . 48 PRO CA . 11108 1 517 . 1 1 48 48 PRO CB C 13 31.669 0.300 . 1 . . . . 48 PRO CB . 11108 1 518 . 1 1 48 48 PRO CD C 13 50.895 0.300 . 1 . . . . 48 PRO CD . 11108 1 519 . 1 1 48 48 PRO CG C 13 26.857 0.300 . 1 . . . . 48 PRO CG . 11108 1 520 . 1 1 49 49 TRP H H 1 6.165 0.030 . 1 . . . . 49 TRP H . 11108 1 521 . 1 1 49 49 TRP HA H 1 4.588 0.030 . 1 . . . . 49 TRP HA . 11108 1 522 . 1 1 49 49 TRP HB2 H 1 3.634 0.030 . 2 . . . . 49 TRP HB2 . 11108 1 523 . 1 1 49 49 TRP HB3 H 1 3.174 0.030 . 2 . . . . 49 TRP HB3 . 11108 1 524 . 1 1 49 49 TRP HD1 H 1 7.271 0.030 . 1 . . . . 49 TRP HD1 . 11108 1 525 . 1 1 49 49 TRP HE1 H 1 10.570 0.030 . 1 . . . . 49 TRP HE1 . 11108 1 526 . 1 1 49 49 TRP HE3 H 1 7.389 0.030 . 1 . . . . 49 TRP HE3 . 11108 1 527 . 1 1 49 49 TRP HH2 H 1 7.204 0.030 . 1 . . . . 49 TRP HH2 . 11108 1 528 . 1 1 49 49 TRP HZ2 H 1 7.365 0.030 . 1 . . . . 49 TRP HZ2 . 11108 1 529 . 1 1 49 49 TRP HZ3 H 1 7.147 0.030 . 1 . . . . 49 TRP HZ3 . 11108 1 530 . 1 1 49 49 TRP C C 13 175.364 0.300 . 1 . . . . 49 TRP C . 11108 1 531 . 1 1 49 49 TRP CA C 13 54.394 0.300 . 1 . . . . 49 TRP CA . 11108 1 532 . 1 1 49 49 TRP CB C 13 28.754 0.300 . 1 . . . . 49 TRP CB . 11108 1 533 . 1 1 49 49 TRP CD1 C 13 128.003 0.300 . 1 . . . . 49 TRP CD1 . 11108 1 534 . 1 1 49 49 TRP CE3 C 13 120.920 0.300 . 1 . . . . 49 TRP CE3 . 11108 1 535 . 1 1 49 49 TRP CH2 C 13 125.377 0.300 . 1 . . . . 49 TRP CH2 . 11108 1 536 . 1 1 49 49 TRP CZ2 C 13 115.051 0.300 . 1 . . . . 49 TRP CZ2 . 11108 1 537 . 1 1 49 49 TRP CZ3 C 13 122.412 0.300 . 1 . . . . 49 TRP CZ3 . 11108 1 538 . 1 1 49 49 TRP N N 15 111.602 0.300 . 1 . . . . 49 TRP N . 11108 1 539 . 1 1 49 49 TRP NE1 N 15 132.817 0.300 . 1 . . . . 49 TRP NE1 . 11108 1 540 . 1 1 50 50 ALA H H 1 6.675 0.030 . 1 . . . . 50 ALA H . 11108 1 541 . 1 1 50 50 ALA HA H 1 5.091 0.030 . 1 . . . . 50 ALA HA . 11108 1 542 . 1 1 50 50 ALA HB1 H 1 1.063 0.030 . 1 . . . . 50 ALA HB . 11108 1 543 . 1 1 50 50 ALA HB2 H 1 1.063 0.030 . 1 . . . . 50 ALA HB . 11108 1 544 . 1 1 50 50 ALA HB3 H 1 1.063 0.030 . 1 . . . . 50 ALA HB . 11108 1 545 . 1 1 50 50 ALA C C 13 176.076 0.300 . 1 . . . . 50 ALA C . 11108 1 546 . 1 1 50 50 ALA CA C 13 49.191 0.300 . 1 . . . . 50 ALA CA . 11108 1 547 . 1 1 50 50 ALA CB C 13 19.426 0.300 . 1 . . . . 50 ALA CB . 11108 1 548 . 1 1 50 50 ALA N N 15 126.095 0.300 . 1 . . . . 50 ALA N . 11108 1 549 . 1 1 51 51 PRO HA H 1 4.470 0.030 . 1 . . . . 51 PRO HA . 11108 1 550 . 1 1 51 51 PRO HB2 H 1 2.486 0.030 . 2 . . . . 51 PRO HB2 . 11108 1 551 . 1 1 51 51 PRO HB3 H 1 2.070 0.030 . 2 . . . . 51 PRO HB3 . 11108 1 552 . 1 1 51 51 PRO HD2 H 1 4.141 0.030 . 2 . . . . 51 PRO HD2 . 11108 1 553 . 1 1 51 51 PRO HD3 H 1 4.391 0.030 . 2 . . . . 51 PRO HD3 . 11108 1 554 . 1 1 51 51 PRO HG2 H 1 2.192 0.030 . 2 . . . . 51 PRO HG2 . 11108 1 555 . 1 1 51 51 PRO HG3 H 1 2.153 0.030 . 2 . . . . 51 PRO HG3 . 11108 1 556 . 1 1 51 51 PRO C C 13 179.230 0.300 . 1 . . . . 51 PRO C . 11108 1 557 . 1 1 51 51 PRO CA C 13 65.315 0.300 . 1 . . . . 51 PRO CA . 11108 1 558 . 1 1 51 51 PRO CB C 13 32.109 0.300 . 1 . . . . 51 PRO CB . 11108 1 559 . 1 1 51 51 PRO CD C 13 51.776 0.300 . 1 . . . . 51 PRO CD . 11108 1 560 . 1 1 51 51 PRO CG C 13 27.658 0.300 . 1 . . . . 51 PRO CG . 11108 1 561 . 1 1 52 52 GLN H H 1 9.396 0.030 . 1 . . . . 52 GLN H . 11108 1 562 . 1 1 52 52 GLN HA H 1 4.368 0.030 . 1 . . . . 52 GLN HA . 11108 1 563 . 1 1 52 52 GLN HB2 H 1 2.124 0.030 . 2 . . . . 52 GLN HB2 . 11108 1 564 . 1 1 52 52 GLN HB3 H 1 2.065 0.030 . 2 . . . . 52 GLN HB3 . 11108 1 565 . 1 1 52 52 GLN HE21 H 1 7.713 0.030 . 2 . . . . 52 GLN HE21 . 11108 1 566 . 1 1 52 52 GLN HE22 H 1 7.063 0.030 . 2 . . . . 52 GLN HE22 . 11108 1 567 . 1 1 52 52 GLN HG2 H 1 2.638 0.030 . 2 . . . . 52 GLN HG2 . 11108 1 568 . 1 1 52 52 GLN HG3 H 1 2.520 0.030 . 2 . . . . 52 GLN HG3 . 11108 1 569 . 1 1 52 52 GLN C C 13 179.235 0.300 . 1 . . . . 52 GLN C . 11108 1 570 . 1 1 52 52 GLN CA C 13 58.508 0.300 . 1 . . . . 52 GLN CA . 11108 1 571 . 1 1 52 52 GLN CB C 13 28.489 0.300 . 1 . . . . 52 GLN CB . 11108 1 572 . 1 1 52 52 GLN CG C 13 34.368 0.300 . 1 . . . . 52 GLN CG . 11108 1 573 . 1 1 52 52 GLN N N 15 115.763 0.300 . 1 . . . . 52 GLN N . 11108 1 574 . 1 1 52 52 GLN NE2 N 15 112.357 0.300 . 1 . . . . 52 GLN NE2 . 11108 1 575 . 1 1 53 53 CYS H H 1 8.140 0.030 . 1 . . . . 53 CYS H . 11108 1 576 . 1 1 53 53 CYS HA H 1 4.285 0.030 . 1 . . . . 53 CYS HA . 11108 1 577 . 1 1 53 53 CYS HB2 H 1 3.580 0.030 . 2 . . . . 53 CYS HB2 . 11108 1 578 . 1 1 53 53 CYS HB3 H 1 3.383 0.030 . 2 . . . . 53 CYS HB3 . 11108 1 579 . 1 1 53 53 CYS C C 13 176.424 0.300 . 1 . . . . 53 CYS C . 11108 1 580 . 1 1 53 53 CYS CA C 13 64.495 0.300 . 1 . . . . 53 CYS CA . 11108 1 581 . 1 1 53 53 CYS CB C 13 28.359 0.300 . 1 . . . . 53 CYS CB . 11108 1 582 . 1 1 53 53 CYS N N 15 116.659 0.300 . 1 . . . . 53 CYS N . 11108 1 583 . 1 1 54 54 ALA H H 1 7.739 0.030 . 1 . . . . 54 ALA H . 11108 1 584 . 1 1 54 54 ALA HA H 1 4.301 0.030 . 1 . . . . 54 ALA HA . 11108 1 585 . 1 1 54 54 ALA HB1 H 1 1.580 0.030 . 1 . . . . 54 ALA HB . 11108 1 586 . 1 1 54 54 ALA HB2 H 1 1.580 0.030 . 1 . . . . 54 ALA HB . 11108 1 587 . 1 1 54 54 ALA HB3 H 1 1.580 0.030 . 1 . . . . 54 ALA HB . 11108 1 588 . 1 1 54 54 ALA C C 13 180.657 0.300 . 1 . . . . 54 ALA C . 11108 1 589 . 1 1 54 54 ALA CA C 13 55.659 0.300 . 1 . . . . 54 ALA CA . 11108 1 590 . 1 1 54 54 ALA CB C 13 17.543 0.300 . 1 . . . . 54 ALA CB . 11108 1 591 . 1 1 54 54 ALA N N 15 124.036 0.300 . 1 . . . . 54 ALA N . 11108 1 592 . 1 1 55 55 GLN H H 1 7.618 0.030 . 1 . . . . 55 GLN H . 11108 1 593 . 1 1 55 55 GLN HA H 1 4.127 0.030 . 1 . . . . 55 GLN HA . 11108 1 594 . 1 1 55 55 GLN HB2 H 1 2.202 0.030 . 2 . . . . 55 GLN HB2 . 11108 1 595 . 1 1 55 55 GLN HB3 H 1 2.128 0.030 . 2 . . . . 55 GLN HB3 . 11108 1 596 . 1 1 55 55 GLN HE21 H 1 7.480 0.030 . 2 . . . . 55 GLN HE21 . 11108 1 597 . 1 1 55 55 GLN HE22 H 1 6.767 0.030 . 2 . . . . 55 GLN HE22 . 11108 1 598 . 1 1 55 55 GLN HG2 H 1 2.463 0.030 . 2 . . . . 55 GLN HG2 . 11108 1 599 . 1 1 55 55 GLN HG3 H 1 2.358 0.030 . 2 . . . . 55 GLN HG3 . 11108 1 600 . 1 1 55 55 GLN C C 13 179.372 0.300 . 1 . . . . 55 GLN C . 11108 1 601 . 1 1 55 55 GLN CA C 13 58.859 0.300 . 1 . . . . 55 GLN CA . 11108 1 602 . 1 1 55 55 GLN CB C 13 28.115 0.300 . 1 . . . . 55 GLN CB . 11108 1 603 . 1 1 55 55 GLN CG C 13 33.765 0.300 . 1 . . . . 55 GLN CG . 11108 1 604 . 1 1 55 55 GLN N N 15 117.724 0.300 . 1 . . . . 55 GLN N . 11108 1 605 . 1 1 55 55 GLN NE2 N 15 111.153 0.300 . 1 . . . . 55 GLN NE2 . 11108 1 606 . 1 1 56 56 MET H H 1 7.918 0.030 . 1 . . . . 56 MET H . 11108 1 607 . 1 1 56 56 MET HA H 1 4.484 0.030 . 1 . . . . 56 MET HA . 11108 1 608 . 1 1 56 56 MET HB2 H 1 2.219 0.030 . 2 . . . . 56 MET HB2 . 11108 1 609 . 1 1 56 56 MET HB3 H 1 1.686 0.030 . 2 . . . . 56 MET HB3 . 11108 1 610 . 1 1 56 56 MET HE1 H 1 1.791 0.030 . 1 . . . . 56 MET HE . 11108 1 611 . 1 1 56 56 MET HE2 H 1 1.791 0.030 . 1 . . . . 56 MET HE . 11108 1 612 . 1 1 56 56 MET HE3 H 1 1.791 0.030 . 1 . . . . 56 MET HE . 11108 1 613 . 1 1 56 56 MET HG2 H 1 2.618 0.030 . 2 . . . . 56 MET HG2 . 11108 1 614 . 1 1 56 56 MET HG3 H 1 2.968 0.030 . 2 . . . . 56 MET HG3 . 11108 1 615 . 1 1 56 56 MET C C 13 178.668 0.300 . 1 . . . . 56 MET C . 11108 1 616 . 1 1 56 56 MET CA C 13 55.825 0.300 . 1 . . . . 56 MET CA . 11108 1 617 . 1 1 56 56 MET CB C 13 31.347 0.300 . 1 . . . . 56 MET CB . 11108 1 618 . 1 1 56 56 MET CE C 13 18.264 0.300 . 1 . . . . 56 MET CE . 11108 1 619 . 1 1 56 56 MET CG C 13 32.686 0.300 . 1 . . . . 56 MET CG . 11108 1 620 . 1 1 56 56 MET N N 15 115.835 0.300 . 1 . . . . 56 MET N . 11108 1 621 . 1 1 57 57 ASN H H 1 8.337 0.030 . 1 . . . . 57 ASN H . 11108 1 622 . 1 1 57 57 ASN HA H 1 4.609 0.030 . 1 . . . . 57 ASN HA . 11108 1 623 . 1 1 57 57 ASN HB2 H 1 2.864 0.030 . 2 . . . . 57 ASN HB2 . 11108 1 624 . 1 1 57 57 ASN HB3 H 1 2.612 0.030 . 2 . . . . 57 ASN HB3 . 11108 1 625 . 1 1 57 57 ASN HD21 H 1 7.430 0.030 . 2 . . . . 57 ASN HD21 . 11108 1 626 . 1 1 57 57 ASN HD22 H 1 4.440 0.030 . 2 . . . . 57 ASN HD22 . 11108 1 627 . 1 1 57 57 ASN C C 13 178.445 0.300 . 1 . . . . 57 ASN C . 11108 1 628 . 1 1 57 57 ASN CA C 13 56.031 0.300 . 1 . . . . 57 ASN CA . 11108 1 629 . 1 1 57 57 ASN CB C 13 37.293 0.300 . 1 . . . . 57 ASN CB . 11108 1 630 . 1 1 57 57 ASN N N 15 119.988 0.300 . 1 . . . . 57 ASN N . 11108 1 631 . 1 1 57 57 ASN ND2 N 15 108.551 0.300 . 1 . . . . 57 ASN ND2 . 11108 1 632 . 1 1 58 58 GLU H H 1 7.485 0.030 . 1 . . . . 58 GLU H . 11108 1 633 . 1 1 58 58 GLU HA H 1 4.054 0.030 . 1 . . . . 58 GLU HA . 11108 1 634 . 1 1 58 58 GLU HB2 H 1 2.224 0.030 . 2 . . . . 58 GLU HB2 . 11108 1 635 . 1 1 58 58 GLU HB3 H 1 2.109 0.030 . 2 . . . . 58 GLU HB3 . 11108 1 636 . 1 1 58 58 GLU HG2 H 1 2.420 0.030 . 2 . . . . 58 GLU HG2 . 11108 1 637 . 1 1 58 58 GLU HG3 H 1 2.221 0.030 . 2 . . . . 58 GLU HG3 . 11108 1 638 . 1 1 58 58 GLU C C 13 179.016 0.300 . 1 . . . . 58 GLU C . 11108 1 639 . 1 1 58 58 GLU CA C 13 59.514 0.300 . 1 . . . . 58 GLU CA . 11108 1 640 . 1 1 58 58 GLU CB C 13 29.017 0.300 . 1 . . . . 58 GLU CB . 11108 1 641 . 1 1 58 58 GLU CG C 13 36.161 0.300 . 1 . . . . 58 GLU CG . 11108 1 642 . 1 1 58 58 GLU N N 15 121.278 0.300 . 1 . . . . 58 GLU N . 11108 1 643 . 1 1 59 59 VAL H H 1 7.505 0.030 . 1 . . . . 59 VAL H . 11108 1 644 . 1 1 59 59 VAL HA H 1 3.662 0.030 . 1 . . . . 59 VAL HA . 11108 1 645 . 1 1 59 59 VAL HB H 1 2.145 0.030 . 1 . . . . 59 VAL HB . 11108 1 646 . 1 1 59 59 VAL HG11 H 1 1.045 0.030 . 1 . . . . 59 VAL HG1 . 11108 1 647 . 1 1 59 59 VAL HG12 H 1 1.045 0.030 . 1 . . . . 59 VAL HG1 . 11108 1 648 . 1 1 59 59 VAL HG13 H 1 1.045 0.030 . 1 . . . . 59 VAL HG1 . 11108 1 649 . 1 1 59 59 VAL HG21 H 1 0.782 0.030 . 1 . . . . 59 VAL HG2 . 11108 1 650 . 1 1 59 59 VAL HG22 H 1 0.782 0.030 . 1 . . . . 59 VAL HG2 . 11108 1 651 . 1 1 59 59 VAL HG23 H 1 0.782 0.030 . 1 . . . . 59 VAL HG2 . 11108 1 652 . 1 1 59 59 VAL C C 13 178.665 0.300 . 1 . . . . 59 VAL C . 11108 1 653 . 1 1 59 59 VAL CA C 13 65.891 0.300 . 1 . . . . 59 VAL CA . 11108 1 654 . 1 1 59 59 VAL CB C 13 31.708 0.300 . 1 . . . . 59 VAL CB . 11108 1 655 . 1 1 59 59 VAL CG1 C 13 22.604 0.300 . 2 . . . . 59 VAL CG1 . 11108 1 656 . 1 1 59 59 VAL CG2 C 13 21.023 0.300 . 2 . . . . 59 VAL CG2 . 11108 1 657 . 1 1 59 59 VAL N N 15 120.834 0.300 . 1 . . . . 59 VAL N . 11108 1 658 . 1 1 60 60 MET H H 1 8.282 0.030 . 1 . . . . 60 MET H . 11108 1 659 . 1 1 60 60 MET HA H 1 3.426 0.030 . 1 . . . . 60 MET HA . 11108 1 660 . 1 1 60 60 MET HB2 H 1 2.137 0.030 . 2 . . . . 60 MET HB2 . 11108 1 661 . 1 1 60 60 MET HB3 H 1 1.767 0.030 . 2 . . . . 60 MET HB3 . 11108 1 662 . 1 1 60 60 MET HE1 H 1 2.221 0.030 . 1 . . . . 60 MET HE . 11108 1 663 . 1 1 60 60 MET HE2 H 1 2.221 0.030 . 1 . . . . 60 MET HE . 11108 1 664 . 1 1 60 60 MET HE3 H 1 2.221 0.030 . 1 . . . . 60 MET HE . 11108 1 665 . 1 1 60 60 MET HG2 H 1 2.617 0.030 . 2 . . . . 60 MET HG2 . 11108 1 666 . 1 1 60 60 MET HG3 H 1 2.116 0.030 . 2 . . . . 60 MET HG3 . 11108 1 667 . 1 1 60 60 MET C C 13 176.175 0.300 . 1 . . . . 60 MET C . 11108 1 668 . 1 1 60 60 MET CA C 13 59.519 0.300 . 1 . . . . 60 MET CA . 11108 1 669 . 1 1 60 60 MET CB C 13 33.368 0.300 . 1 . . . . 60 MET CB . 11108 1 670 . 1 1 60 60 MET CE C 13 18.028 0.300 . 1 . . . . 60 MET CE . 11108 1 671 . 1 1 60 60 MET CG C 13 32.444 0.300 . 1 . . . . 60 MET CG . 11108 1 672 . 1 1 60 60 MET N N 15 117.646 0.300 . 1 . . . . 60 MET N . 11108 1 673 . 1 1 61 61 ALA H H 1 7.658 0.030 . 1 . . . . 61 ALA H . 11108 1 674 . 1 1 61 61 ALA HA H 1 3.720 0.030 . 1 . . . . 61 ALA HA . 11108 1 675 . 1 1 61 61 ALA HB1 H 1 1.386 0.030 . 1 . . . . 61 ALA HB . 11108 1 676 . 1 1 61 61 ALA HB2 H 1 1.386 0.030 . 1 . . . . 61 ALA HB . 11108 1 677 . 1 1 61 61 ALA HB3 H 1 1.386 0.030 . 1 . . . . 61 ALA HB . 11108 1 678 . 1 1 61 61 ALA C C 13 180.093 0.300 . 1 . . . . 61 ALA C . 11108 1 679 . 1 1 61 61 ALA CA C 13 54.889 0.300 . 1 . . . . 61 ALA CA . 11108 1 680 . 1 1 61 61 ALA CB C 13 17.838 0.300 . 1 . . . . 61 ALA CB . 11108 1 681 . 1 1 61 61 ALA N N 15 119.396 0.300 . 1 . . . . 61 ALA N . 11108 1 682 . 1 1 62 62 GLU H H 1 7.415 0.030 . 1 . . . . 62 GLU H . 11108 1 683 . 1 1 62 62 GLU HA H 1 3.993 0.030 . 1 . . . . 62 GLU HA . 11108 1 684 . 1 1 62 62 GLU HB2 H 1 2.049 0.030 . 2 . . . . 62 GLU HB2 . 11108 1 685 . 1 1 62 62 GLU HG2 H 1 2.320 0.030 . 2 . . . . 62 GLU HG2 . 11108 1 686 . 1 1 62 62 GLU HG3 H 1 2.230 0.030 . 2 . . . . 62 GLU HG3 . 11108 1 687 . 1 1 62 62 GLU C C 13 179.829 0.300 . 1 . . . . 62 GLU C . 11108 1 688 . 1 1 62 62 GLU CA C 13 58.962 0.300 . 1 . . . . 62 GLU CA . 11108 1 689 . 1 1 62 62 GLU CB C 13 29.226 0.300 . 1 . . . . 62 GLU CB . 11108 1 690 . 1 1 62 62 GLU CG C 13 35.860 0.300 . 1 . . . . 62 GLU CG . 11108 1 691 . 1 1 62 62 GLU N N 15 118.333 0.300 . 1 . . . . 62 GLU N . 11108 1 692 . 1 1 63 63 LEU H H 1 8.017 0.030 . 1 . . . . 63 LEU H . 11108 1 693 . 1 1 63 63 LEU HA H 1 3.887 0.030 . 1 . . . . 63 LEU HA . 11108 1 694 . 1 1 63 63 LEU HB2 H 1 1.395 0.030 . 2 . . . . 63 LEU HB2 . 11108 1 695 . 1 1 63 63 LEU HB3 H 1 1.123 0.030 . 2 . . . . 63 LEU HB3 . 11108 1 696 . 1 1 63 63 LEU HD11 H 1 0.706 0.030 . 1 . . . . 63 LEU HD1 . 11108 1 697 . 1 1 63 63 LEU HD12 H 1 0.706 0.030 . 1 . . . . 63 LEU HD1 . 11108 1 698 . 1 1 63 63 LEU HD13 H 1 0.706 0.030 . 1 . . . . 63 LEU HD1 . 11108 1 699 . 1 1 63 63 LEU HD21 H 1 0.843 0.030 . 1 . . . . 63 LEU HD2 . 11108 1 700 . 1 1 63 63 LEU HD22 H 1 0.843 0.030 . 1 . . . . 63 LEU HD2 . 11108 1 701 . 1 1 63 63 LEU HD23 H 1 0.843 0.030 . 1 . . . . 63 LEU HD2 . 11108 1 702 . 1 1 63 63 LEU HG H 1 1.708 0.030 . 1 . . . . 63 LEU HG . 11108 1 703 . 1 1 63 63 LEU C C 13 177.988 0.300 . 1 . . . . 63 LEU C . 11108 1 704 . 1 1 63 63 LEU CA C 13 57.511 0.300 . 1 . . . . 63 LEU CA . 11108 1 705 . 1 1 63 63 LEU CB C 13 42.439 0.300 . 1 . . . . 63 LEU CB . 11108 1 706 . 1 1 63 63 LEU CD1 C 13 26.093 0.300 . 2 . . . . 63 LEU CD1 . 11108 1 707 . 1 1 63 63 LEU CD2 C 13 22.920 0.300 . 2 . . . . 63 LEU CD2 . 11108 1 708 . 1 1 63 63 LEU CG C 13 26.637 0.300 . 1 . . . . 63 LEU CG . 11108 1 709 . 1 1 63 63 LEU N N 15 121.251 0.300 . 1 . . . . 63 LEU N . 11108 1 710 . 1 1 64 64 ALA H H 1 7.908 0.030 . 1 . . . . 64 ALA H . 11108 1 711 . 1 1 64 64 ALA HA H 1 3.996 0.030 . 1 . . . . 64 ALA HA . 11108 1 712 . 1 1 64 64 ALA HB1 H 1 1.153 0.030 . 1 . . . . 64 ALA HB . 11108 1 713 . 1 1 64 64 ALA HB2 H 1 1.153 0.030 . 1 . . . . 64 ALA HB . 11108 1 714 . 1 1 64 64 ALA HB3 H 1 1.153 0.030 . 1 . . . . 64 ALA HB . 11108 1 715 . 1 1 64 64 ALA C C 13 179.985 0.300 . 1 . . . . 64 ALA C . 11108 1 716 . 1 1 64 64 ALA CA C 13 54.228 0.300 . 1 . . . . 64 ALA CA . 11108 1 717 . 1 1 64 64 ALA CB C 13 17.925 0.300 . 1 . . . . 64 ALA CB . 11108 1 718 . 1 1 64 64 ALA N N 15 119.324 0.300 . 1 . . . . 64 ALA N . 11108 1 719 . 1 1 65 65 LYS H H 1 6.943 0.030 . 1 . . . . 65 LYS H . 11108 1 720 . 1 1 65 65 LYS HA H 1 4.010 0.030 . 1 . . . . 65 LYS HA . 11108 1 721 . 1 1 65 65 LYS HB2 H 1 1.888 0.030 . 1 . . . . 65 LYS HB2 . 11108 1 722 . 1 1 65 65 LYS HB3 H 1 1.888 0.030 . 1 . . . . 65 LYS HB3 . 11108 1 723 . 1 1 65 65 LYS HD2 H 1 1.673 0.030 . 1 . . . . 65 LYS HD2 . 11108 1 724 . 1 1 65 65 LYS HD3 H 1 1.673 0.030 . 1 . . . . 65 LYS HD3 . 11108 1 725 . 1 1 65 65 LYS HE2 H 1 2.935 0.030 . 1 . . . . 65 LYS HE2 . 11108 1 726 . 1 1 65 65 LYS HE3 H 1 2.935 0.030 . 1 . . . . 65 LYS HE3 . 11108 1 727 . 1 1 65 65 LYS HG2 H 1 1.595 0.030 . 2 . . . . 65 LYS HG2 . 11108 1 728 . 1 1 65 65 LYS HG3 H 1 1.412 0.030 . 2 . . . . 65 LYS HG3 . 11108 1 729 . 1 1 65 65 LYS C C 13 177.927 0.300 . 1 . . . . 65 LYS C . 11108 1 730 . 1 1 65 65 LYS CA C 13 58.236 0.300 . 1 . . . . 65 LYS CA . 11108 1 731 . 1 1 65 65 LYS CB C 13 32.811 0.300 . 1 . . . . 65 LYS CB . 11108 1 732 . 1 1 65 65 LYS CD C 13 29.520 0.300 . 1 . . . . 65 LYS CD . 11108 1 733 . 1 1 65 65 LYS CE C 13 42.085 0.300 . 1 . . . . 65 LYS CE . 11108 1 734 . 1 1 65 65 LYS CG C 13 25.016 0.300 . 1 . . . . 65 LYS CG . 11108 1 735 . 1 1 65 65 LYS N N 15 114.647 0.300 . 1 . . . . 65 LYS N . 11108 1 736 . 1 1 66 66 GLU H H 1 7.367 0.030 . 1 . . . . 66 GLU H . 11108 1 737 . 1 1 66 66 GLU HA H 1 4.155 0.030 . 1 . . . . 66 GLU HA . 11108 1 738 . 1 1 66 66 GLU HB2 H 1 2.121 0.030 . 2 . . . . 66 GLU HB2 . 11108 1 739 . 1 1 66 66 GLU HB3 H 1 2.065 0.030 . 2 . . . . 66 GLU HB3 . 11108 1 740 . 1 1 66 66 GLU HG2 H 1 2.381 0.030 . 2 . . . . 66 GLU HG2 . 11108 1 741 . 1 1 66 66 GLU HG3 H 1 2.249 0.030 . 2 . . . . 66 GLU HG3 . 11108 1 742 . 1 1 66 66 GLU C C 13 176.629 0.300 . 1 . . . . 66 GLU C . 11108 1 743 . 1 1 66 66 GLU CA C 13 57.819 0.300 . 1 . . . . 66 GLU CA . 11108 1 744 . 1 1 66 66 GLU CB C 13 30.902 0.300 . 1 . . . . 66 GLU CB . 11108 1 745 . 1 1 66 66 GLU CG C 13 36.096 0.300 . 1 . . . . 66 GLU CG . 11108 1 746 . 1 1 66 66 GLU N N 15 118.099 0.300 . 1 . . . . 66 GLU N . 11108 1 747 . 1 1 67 67 LEU H H 1 8.060 0.030 . 1 . . . . 67 LEU H . 11108 1 748 . 1 1 67 67 LEU HA H 1 5.015 0.030 . 1 . . . . 67 LEU HA . 11108 1 749 . 1 1 67 67 LEU HB2 H 1 1.986 0.030 . 2 . . . . 67 LEU HB2 . 11108 1 750 . 1 1 67 67 LEU HB3 H 1 1.350 0.030 . 2 . . . . 67 LEU HB3 . 11108 1 751 . 1 1 67 67 LEU HD11 H 1 0.913 0.030 . 1 . . . . 67 LEU HD1 . 11108 1 752 . 1 1 67 67 LEU HD12 H 1 0.913 0.030 . 1 . . . . 67 LEU HD1 . 11108 1 753 . 1 1 67 67 LEU HD13 H 1 0.913 0.030 . 1 . . . . 67 LEU HD1 . 11108 1 754 . 1 1 67 67 LEU HD21 H 1 0.917 0.030 . 1 . . . . 67 LEU HD2 . 11108 1 755 . 1 1 67 67 LEU HD22 H 1 0.917 0.030 . 1 . . . . 67 LEU HD2 . 11108 1 756 . 1 1 67 67 LEU HD23 H 1 0.917 0.030 . 1 . . . . 67 LEU HD2 . 11108 1 757 . 1 1 67 67 LEU HG H 1 1.542 0.030 . 1 . . . . 67 LEU HG . 11108 1 758 . 1 1 67 67 LEU C C 13 173.831 0.300 . 1 . . . . 67 LEU C . 11108 1 759 . 1 1 67 67 LEU CA C 13 52.201 0.300 . 1 . . . . 67 LEU CA . 11108 1 760 . 1 1 67 67 LEU CB C 13 42.392 0.300 . 1 . . . . 67 LEU CB . 11108 1 761 . 1 1 67 67 LEU CD1 C 13 27.766 0.300 . 2 . . . . 67 LEU CD1 . 11108 1 762 . 1 1 67 67 LEU CD2 C 13 24.383 0.300 . 2 . . . . 67 LEU CD2 . 11108 1 763 . 1 1 67 67 LEU CG C 13 26.144 0.300 . 1 . . . . 67 LEU CG . 11108 1 764 . 1 1 67 67 LEU N N 15 119.242 0.300 . 1 . . . . 67 LEU N . 11108 1 765 . 1 1 68 68 PRO HA H 1 4.684 0.030 . 1 . . . . 68 PRO HA . 11108 1 766 . 1 1 68 68 PRO HB2 H 1 2.382 0.030 . 2 . . . . 68 PRO HB2 . 11108 1 767 . 1 1 68 68 PRO HB3 H 1 2.023 0.030 . 2 . . . . 68 PRO HB3 . 11108 1 768 . 1 1 68 68 PRO HD2 H 1 3.796 0.030 . 2 . . . . 68 PRO HD2 . 11108 1 769 . 1 1 68 68 PRO HD3 H 1 3.406 0.030 . 2 . . . . 68 PRO HD3 . 11108 1 770 . 1 1 68 68 PRO HG2 H 1 2.023 0.030 . 2 . . . . 68 PRO HG2 . 11108 1 771 . 1 1 68 68 PRO HG3 H 1 1.963 0.030 . 2 . . . . 68 PRO HG3 . 11108 1 772 . 1 1 68 68 PRO C C 13 177.556 0.300 . 1 . . . . 68 PRO C . 11108 1 773 . 1 1 68 68 PRO CA C 13 64.259 0.300 . 1 . . . . 68 PRO CA . 11108 1 774 . 1 1 68 68 PRO CB C 13 31.972 0.300 . 1 . . . . 68 PRO CB . 11108 1 775 . 1 1 68 68 PRO CD C 13 50.469 0.300 . 1 . . . . 68 PRO CD . 11108 1 776 . 1 1 68 68 PRO CG C 13 27.324 0.300 . 1 . . . . 68 PRO CG . 11108 1 777 . 1 1 69 69 GLN H H 1 9.391 0.030 . 1 . . . . 69 GLN H . 11108 1 778 . 1 1 69 69 GLN HA H 1 4.425 0.030 . 1 . . . . 69 GLN HA . 11108 1 779 . 1 1 69 69 GLN HB2 H 1 2.189 0.030 . 2 . . . . 69 GLN HB2 . 11108 1 780 . 1 1 69 69 GLN HB3 H 1 2.154 0.030 . 2 . . . . 69 GLN HB3 . 11108 1 781 . 1 1 69 69 GLN HE21 H 1 7.616 0.030 . 2 . . . . 69 GLN HE21 . 11108 1 782 . 1 1 69 69 GLN HE22 H 1 6.884 0.030 . 2 . . . . 69 GLN HE22 . 11108 1 783 . 1 1 69 69 GLN HG2 H 1 2.631 0.030 . 2 . . . . 69 GLN HG2 . 11108 1 784 . 1 1 69 69 GLN HG3 H 1 2.271 0.030 . 2 . . . . 69 GLN HG3 . 11108 1 785 . 1 1 69 69 GLN C C 13 176.209 0.300 . 1 . . . . 69 GLN C . 11108 1 786 . 1 1 69 69 GLN CA C 13 56.310 0.300 . 1 . . . . 69 GLN CA . 11108 1 787 . 1 1 69 69 GLN CB C 13 27.648 0.300 . 1 . . . . 69 GLN CB . 11108 1 788 . 1 1 69 69 GLN CG C 13 33.696 0.300 . 1 . . . . 69 GLN CG . 11108 1 789 . 1 1 69 69 GLN N N 15 117.311 0.300 . 1 . . . . 69 GLN N . 11108 1 790 . 1 1 69 69 GLN NE2 N 15 111.963 0.300 . 1 . . . . 69 GLN NE2 . 11108 1 791 . 1 1 70 70 VAL H H 1 8.197 0.030 . 1 . . . . 70 VAL H . 11108 1 792 . 1 1 70 70 VAL HA H 1 4.156 0.030 . 1 . . . . 70 VAL HA . 11108 1 793 . 1 1 70 70 VAL HB H 1 2.220 0.030 . 1 . . . . 70 VAL HB . 11108 1 794 . 1 1 70 70 VAL HG11 H 1 0.096 0.030 . 1 . . . . 70 VAL HG1 . 11108 1 795 . 1 1 70 70 VAL HG12 H 1 0.096 0.030 . 1 . . . . 70 VAL HG1 . 11108 1 796 . 1 1 70 70 VAL HG13 H 1 0.096 0.030 . 1 . . . . 70 VAL HG1 . 11108 1 797 . 1 1 70 70 VAL HG21 H 1 0.936 0.030 . 1 . . . . 70 VAL HG2 . 11108 1 798 . 1 1 70 70 VAL HG22 H 1 0.936 0.030 . 1 . . . . 70 VAL HG2 . 11108 1 799 . 1 1 70 70 VAL HG23 H 1 0.936 0.030 . 1 . . . . 70 VAL HG2 . 11108 1 800 . 1 1 70 70 VAL C C 13 174.069 0.300 . 1 . . . . 70 VAL C . 11108 1 801 . 1 1 70 70 VAL CA C 13 61.761 0.300 . 1 . . . . 70 VAL CA . 11108 1 802 . 1 1 70 70 VAL CB C 13 32.580 0.300 . 1 . . . . 70 VAL CB . 11108 1 803 . 1 1 70 70 VAL CG1 C 13 22.399 0.300 . 2 . . . . 70 VAL CG1 . 11108 1 804 . 1 1 70 70 VAL CG2 C 13 24.116 0.300 . 2 . . . . 70 VAL CG2 . 11108 1 805 . 1 1 70 70 VAL N N 15 126.647 0.300 . 1 . . . . 70 VAL N . 11108 1 806 . 1 1 71 71 SER H H 1 8.123 0.030 . 1 . . . . 71 SER H . 11108 1 807 . 1 1 71 71 SER HA H 1 4.842 0.030 . 1 . . . . 71 SER HA . 11108 1 808 . 1 1 71 71 SER HB2 H 1 3.642 0.030 . 2 . . . . 71 SER HB2 . 11108 1 809 . 1 1 71 71 SER HB3 H 1 3.613 0.030 . 2 . . . . 71 SER HB3 . 11108 1 810 . 1 1 71 71 SER C C 13 171.709 0.300 . 1 . . . . 71 SER C . 11108 1 811 . 1 1 71 71 SER CA C 13 58.112 0.300 . 1 . . . . 71 SER CA . 11108 1 812 . 1 1 71 71 SER CB C 13 64.752 0.300 . 1 . . . . 71 SER CB . 11108 1 813 . 1 1 71 71 SER N N 15 120.587 0.300 . 1 . . . . 71 SER N . 11108 1 814 . 1 1 72 72 PHE H H 1 9.091 0.030 . 1 . . . . 72 PHE H . 11108 1 815 . 1 1 72 72 PHE HA H 1 5.232 0.030 . 1 . . . . 72 PHE HA . 11108 1 816 . 1 1 72 72 PHE HB2 H 1 3.010 0.030 . 2 . . . . 72 PHE HB2 . 11108 1 817 . 1 1 72 72 PHE HB3 H 1 2.894 0.030 . 2 . . . . 72 PHE HB3 . 11108 1 818 . 1 1 72 72 PHE HD1 H 1 7.275 0.030 . 1 . . . . 72 PHE HD1 . 11108 1 819 . 1 1 72 72 PHE HD2 H 1 7.275 0.030 . 1 . . . . 72 PHE HD2 . 11108 1 820 . 1 1 72 72 PHE HE1 H 1 7.129 0.030 . 1 . . . . 72 PHE HE1 . 11108 1 821 . 1 1 72 72 PHE HE2 H 1 7.129 0.030 . 1 . . . . 72 PHE HE2 . 11108 1 822 . 1 1 72 72 PHE HZ H 1 6.934 0.030 . 1 . . . . 72 PHE HZ . 11108 1 823 . 1 1 72 72 PHE C C 13 175.179 0.300 . 1 . . . . 72 PHE C . 11108 1 824 . 1 1 72 72 PHE CA C 13 57.072 0.300 . 1 . . . . 72 PHE CA . 11108 1 825 . 1 1 72 72 PHE CB C 13 41.029 0.300 . 1 . . . . 72 PHE CB . 11108 1 826 . 1 1 72 72 PHE CD1 C 13 132.505 0.300 . 1 . . . . 72 PHE CD1 . 11108 1 827 . 1 1 72 72 PHE CD2 C 13 132.505 0.300 . 1 . . . . 72 PHE CD2 . 11108 1 828 . 1 1 72 72 PHE CE1 C 13 130.005 0.300 . 1 . . . . 72 PHE CE1 . 11108 1 829 . 1 1 72 72 PHE CE2 C 13 130.005 0.300 . 1 . . . . 72 PHE CE2 . 11108 1 830 . 1 1 72 72 PHE CZ C 13 129.228 0.300 . 1 . . . . 72 PHE CZ . 11108 1 831 . 1 1 72 72 PHE N N 15 125.307 0.300 . 1 . . . . 72 PHE N . 11108 1 832 . 1 1 73 73 VAL H H 1 8.989 0.030 . 1 . . . . 73 VAL H . 11108 1 833 . 1 1 73 73 VAL HA H 1 5.178 0.030 . 1 . . . . 73 VAL HA . 11108 1 834 . 1 1 73 73 VAL HB H 1 2.023 0.030 . 1 . . . . 73 VAL HB . 11108 1 835 . 1 1 73 73 VAL HG11 H 1 0.762 0.030 . 1 . . . . 73 VAL HG1 . 11108 1 836 . 1 1 73 73 VAL HG12 H 1 0.762 0.030 . 1 . . . . 73 VAL HG1 . 11108 1 837 . 1 1 73 73 VAL HG13 H 1 0.762 0.030 . 1 . . . . 73 VAL HG1 . 11108 1 838 . 1 1 73 73 VAL HG21 H 1 0.692 0.030 . 1 . . . . 73 VAL HG2 . 11108 1 839 . 1 1 73 73 VAL HG22 H 1 0.692 0.030 . 1 . . . . 73 VAL HG2 . 11108 1 840 . 1 1 73 73 VAL HG23 H 1 0.692 0.030 . 1 . . . . 73 VAL HG2 . 11108 1 841 . 1 1 73 73 VAL C C 13 173.638 0.300 . 1 . . . . 73 VAL C . 11108 1 842 . 1 1 73 73 VAL CA C 13 59.050 0.300 . 1 . . . . 73 VAL CA . 11108 1 843 . 1 1 73 73 VAL CB C 13 36.621 0.300 . 1 . . . . 73 VAL CB . 11108 1 844 . 1 1 73 73 VAL CG1 C 13 21.781 0.300 . 2 . . . . 73 VAL CG1 . 11108 1 845 . 1 1 73 73 VAL CG2 C 13 21.231 0.300 . 2 . . . . 73 VAL CG2 . 11108 1 846 . 1 1 73 73 VAL N N 15 117.473 0.300 . 1 . . . . 73 VAL N . 11108 1 847 . 1 1 74 74 LYS H H 1 8.849 0.030 . 1 . . . . 74 LYS H . 11108 1 848 . 1 1 74 74 LYS HA H 1 5.168 0.030 . 1 . . . . 74 LYS HA . 11108 1 849 . 1 1 74 74 LYS HB2 H 1 1.400 0.030 . 1 . . . . 74 LYS HB2 . 11108 1 850 . 1 1 74 74 LYS HB3 H 1 1.400 0.030 . 1 . . . . 74 LYS HB3 . 11108 1 851 . 1 1 74 74 LYS HD2 H 1 0.353 0.030 . 2 . . . . 74 LYS HD2 . 11108 1 852 . 1 1 74 74 LYS HD3 H 1 0.841 0.030 . 2 . . . . 74 LYS HD3 . 11108 1 853 . 1 1 74 74 LYS HE2 H 1 2.306 0.030 . 2 . . . . 74 LYS HE2 . 11108 1 854 . 1 1 74 74 LYS HE3 H 1 2.106 0.030 . 2 . . . . 74 LYS HE3 . 11108 1 855 . 1 1 74 74 LYS HG2 H 1 1.231 0.030 . 2 . . . . 74 LYS HG2 . 11108 1 856 . 1 1 74 74 LYS HG3 H 1 0.952 0.030 . 2 . . . . 74 LYS HG3 . 11108 1 857 . 1 1 74 74 LYS C C 13 173.430 0.300 . 1 . . . . 74 LYS C . 11108 1 858 . 1 1 74 74 LYS CA C 13 54.130 0.300 . 1 . . . . 74 LYS CA . 11108 1 859 . 1 1 74 74 LYS CB C 13 35.902 0.300 . 1 . . . . 74 LYS CB . 11108 1 860 . 1 1 74 74 LYS CD C 13 29.588 0.300 . 1 . . . . 74 LYS CD . 11108 1 861 . 1 1 74 74 LYS CE C 13 41.365 0.300 . 1 . . . . 74 LYS CE . 11108 1 862 . 1 1 74 74 LYS CG C 13 23.850 0.300 . 1 . . . . 74 LYS CG . 11108 1 863 . 1 1 74 74 LYS N N 15 120.700 0.300 . 1 . . . . 74 LYS N . 11108 1 864 . 1 1 75 75 LEU H H 1 8.601 0.030 . 1 . . . . 75 LEU H . 11108 1 865 . 1 1 75 75 LEU HA H 1 4.555 0.030 . 1 . . . . 75 LEU HA . 11108 1 866 . 1 1 75 75 LEU HB2 H 1 0.771 0.030 . 1 . . . . 75 LEU HB2 . 11108 1 867 . 1 1 75 75 LEU HB3 H 1 0.771 0.030 . 1 . . . . 75 LEU HB3 . 11108 1 868 . 1 1 75 75 LEU HD11 H 1 0.342 0.030 . 1 . . . . 75 LEU HD1 . 11108 1 869 . 1 1 75 75 LEU HD12 H 1 0.342 0.030 . 1 . . . . 75 LEU HD1 . 11108 1 870 . 1 1 75 75 LEU HD13 H 1 0.342 0.030 . 1 . . . . 75 LEU HD1 . 11108 1 871 . 1 1 75 75 LEU HD21 H 1 0.440 0.030 . 1 . . . . 75 LEU HD2 . 11108 1 872 . 1 1 75 75 LEU HD22 H 1 0.440 0.030 . 1 . . . . 75 LEU HD2 . 11108 1 873 . 1 1 75 75 LEU HD23 H 1 0.440 0.030 . 1 . . . . 75 LEU HD2 . 11108 1 874 . 1 1 75 75 LEU HG H 1 1.276 0.030 . 1 . . . . 75 LEU HG . 11108 1 875 . 1 1 75 75 LEU C C 13 174.331 0.300 . 1 . . . . 75 LEU C . 11108 1 876 . 1 1 75 75 LEU CA C 13 54.624 0.300 . 1 . . . . 75 LEU CA . 11108 1 877 . 1 1 75 75 LEU CB C 13 45.947 0.300 . 1 . . . . 75 LEU CB . 11108 1 878 . 1 1 75 75 LEU CD1 C 13 26.448 0.300 . 2 . . . . 75 LEU CD1 . 11108 1 879 . 1 1 75 75 LEU CD2 C 13 24.932 0.300 . 2 . . . . 75 LEU CD2 . 11108 1 880 . 1 1 75 75 LEU CG C 13 27.507 0.300 . 1 . . . . 75 LEU CG . 11108 1 881 . 1 1 75 75 LEU N N 15 124.243 0.300 . 1 . . . . 75 LEU N . 11108 1 882 . 1 1 76 76 GLU H H 1 9.486 0.030 . 1 . . . . 76 GLU H . 11108 1 883 . 1 1 76 76 GLU HA H 1 3.449 0.030 . 1 . . . . 76 GLU HA . 11108 1 884 . 1 1 76 76 GLU HB2 H 1 1.925 0.030 . 2 . . . . 76 GLU HB2 . 11108 1 885 . 1 1 76 76 GLU HB3 H 1 1.614 0.030 . 2 . . . . 76 GLU HB3 . 11108 1 886 . 1 1 76 76 GLU HG2 H 1 1.357 0.030 . 1 . . . . 76 GLU HG2 . 11108 1 887 . 1 1 76 76 GLU HG3 H 1 1.357 0.030 . 1 . . . . 76 GLU HG3 . 11108 1 888 . 1 1 76 76 GLU C C 13 176.538 0.300 . 1 . . . . 76 GLU C . 11108 1 889 . 1 1 76 76 GLU CA C 13 56.163 0.300 . 1 . . . . 76 GLU CA . 11108 1 890 . 1 1 76 76 GLU CB C 13 28.881 0.300 . 1 . . . . 76 GLU CB . 11108 1 891 . 1 1 76 76 GLU CG C 13 36.435 0.300 . 1 . . . . 76 GLU CG . 11108 1 892 . 1 1 76 76 GLU N N 15 130.726 0.300 . 1 . . . . 76 GLU N . 11108 1 893 . 1 1 77 77 ALA H H 1 7.982 0.030 . 1 . . . . 77 ALA H . 11108 1 894 . 1 1 77 77 ALA HA H 1 3.844 0.030 . 1 . . . . 77 ALA HA . 11108 1 895 . 1 1 77 77 ALA HB1 H 1 1.289 0.030 . 1 . . . . 77 ALA HB . 11108 1 896 . 1 1 77 77 ALA HB2 H 1 1.289 0.030 . 1 . . . . 77 ALA HB . 11108 1 897 . 1 1 77 77 ALA HB3 H 1 1.289 0.030 . 1 . . . . 77 ALA HB . 11108 1 898 . 1 1 77 77 ALA C C 13 180.031 0.300 . 1 . . . . 77 ALA C . 11108 1 899 . 1 1 77 77 ALA CA C 13 55.777 0.300 . 1 . . . . 77 ALA CA . 11108 1 900 . 1 1 77 77 ALA CB C 13 18.668 0.300 . 1 . . . . 77 ALA CB . 11108 1 901 . 1 1 77 77 ALA N N 15 134.085 0.300 . 1 . . . . 77 ALA N . 11108 1 902 . 1 1 78 78 GLU H H 1 9.353 0.030 . 1 . . . . 78 GLU H . 11108 1 903 . 1 1 78 78 GLU HA H 1 4.074 0.030 . 1 . . . . 78 GLU HA . 11108 1 904 . 1 1 78 78 GLU HB2 H 1 2.096 0.030 . 2 . . . . 78 GLU HB2 . 11108 1 905 . 1 1 78 78 GLU HB3 H 1 1.971 0.030 . 2 . . . . 78 GLU HB3 . 11108 1 906 . 1 1 78 78 GLU HG2 H 1 2.395 0.030 . 2 . . . . 78 GLU HG2 . 11108 1 907 . 1 1 78 78 GLU HG3 H 1 2.271 0.030 . 2 . . . . 78 GLU HG3 . 11108 1 908 . 1 1 78 78 GLU C C 13 177.259 0.300 . 1 . . . . 78 GLU C . 11108 1 909 . 1 1 78 78 GLU CA C 13 57.394 0.300 . 1 . . . . 78 GLU CA . 11108 1 910 . 1 1 78 78 GLU CB C 13 30.183 0.300 . 1 . . . . 78 GLU CB . 11108 1 911 . 1 1 78 78 GLU CG C 13 37.051 0.300 . 1 . . . . 78 GLU CG . 11108 1 912 . 1 1 78 78 GLU N N 15 114.657 0.300 . 1 . . . . 78 GLU N . 11108 1 913 . 1 1 79 79 GLY H H 1 7.546 0.030 . 1 . . . . 79 GLY H . 11108 1 914 . 1 1 79 79 GLY HA2 H 1 4.124 0.030 . 2 . . . . 79 GLY HA2 . 11108 1 915 . 1 1 79 79 GLY HA3 H 1 3.740 0.030 . 2 . . . . 79 GLY HA3 . 11108 1 916 . 1 1 79 79 GLY C C 13 174.324 0.300 . 1 . . . . 79 GLY C . 11108 1 917 . 1 1 79 79 GLY CA C 13 45.333 0.300 . 1 . . . . 79 GLY CA . 11108 1 918 . 1 1 79 79 GLY N N 15 105.714 0.300 . 1 . . . . 79 GLY N . 11108 1 919 . 1 1 80 80 VAL H H 1 6.977 0.030 . 1 . . . . 80 VAL H . 11108 1 920 . 1 1 80 80 VAL HA H 1 4.552 0.030 . 1 . . . . 80 VAL HA . 11108 1 921 . 1 1 80 80 VAL HB H 1 2.212 0.030 . 1 . . . . 80 VAL HB . 11108 1 922 . 1 1 80 80 VAL HG11 H 1 0.836 0.030 . 1 . . . . 80 VAL HG1 . 11108 1 923 . 1 1 80 80 VAL HG12 H 1 0.836 0.030 . 1 . . . . 80 VAL HG1 . 11108 1 924 . 1 1 80 80 VAL HG13 H 1 0.836 0.030 . 1 . . . . 80 VAL HG1 . 11108 1 925 . 1 1 80 80 VAL HG21 H 1 0.778 0.030 . 1 . . . . 80 VAL HG2 . 11108 1 926 . 1 1 80 80 VAL HG22 H 1 0.778 0.030 . 1 . . . . 80 VAL HG2 . 11108 1 927 . 1 1 80 80 VAL HG23 H 1 0.778 0.030 . 1 . . . . 80 VAL HG2 . 11108 1 928 . 1 1 80 80 VAL C C 13 173.365 0.300 . 1 . . . . 80 VAL C . 11108 1 929 . 1 1 80 80 VAL CA C 13 58.887 0.300 . 1 . . . . 80 VAL CA . 11108 1 930 . 1 1 80 80 VAL CB C 13 30.749 0.300 . 1 . . . . 80 VAL CB . 11108 1 931 . 1 1 80 80 VAL CG1 C 13 23.878 0.300 . 2 . . . . 80 VAL CG1 . 11108 1 932 . 1 1 80 80 VAL CG2 C 13 19.439 0.300 . 2 . . . . 80 VAL CG2 . 11108 1 933 . 1 1 80 80 VAL N N 15 117.917 0.300 . 1 . . . . 80 VAL N . 11108 1 934 . 1 1 81 81 PRO HA H 1 4.337 0.030 . 1 . . . . 81 PRO HA . 11108 1 935 . 1 1 81 81 PRO HB2 H 1 2.241 0.030 . 2 . . . . 81 PRO HB2 . 11108 1 936 . 1 1 81 81 PRO HB3 H 1 2.048 0.030 . 2 . . . . 81 PRO HB3 . 11108 1 937 . 1 1 81 81 PRO HD2 H 1 3.719 0.030 . 2 . . . . 81 PRO HD2 . 11108 1 938 . 1 1 81 81 PRO HD3 H 1 3.247 0.030 . 2 . . . . 81 PRO HD3 . 11108 1 939 . 1 1 81 81 PRO HG2 H 1 2.004 0.030 . 1 . . . . 81 PRO HG2 . 11108 1 940 . 1 1 81 81 PRO HG3 H 1 2.004 0.030 . 1 . . . . 81 PRO HG3 . 11108 1 941 . 1 1 81 81 PRO C C 13 178.242 0.300 . 1 . . . . 81 PRO C . 11108 1 942 . 1 1 81 81 PRO CA C 13 65.189 0.300 . 1 . . . . 81 PRO CA . 11108 1 943 . 1 1 81 81 PRO CB C 13 31.615 0.300 . 1 . . . . 81 PRO CB . 11108 1 944 . 1 1 81 81 PRO CD C 13 50.668 0.300 . 1 . . . . 81 PRO CD . 11108 1 945 . 1 1 81 81 PRO CG C 13 27.329 0.300 . 1 . . . . 81 PRO CG . 11108 1 946 . 1 1 82 82 GLU H H 1 9.625 0.030 . 1 . . . . 82 GLU H . 11108 1 947 . 1 1 82 82 GLU HA H 1 4.130 0.030 . 1 . . . . 82 GLU HA . 11108 1 948 . 1 1 82 82 GLU HB2 H 1 1.983 0.030 . 1 . . . . 82 GLU HB2 . 11108 1 949 . 1 1 82 82 GLU HB3 H 1 1.983 0.030 . 1 . . . . 82 GLU HB3 . 11108 1 950 . 1 1 82 82 GLU HG2 H 1 2.341 0.030 . 1 . . . . 82 GLU HG2 . 11108 1 951 . 1 1 82 82 GLU HG3 H 1 2.341 0.030 . 1 . . . . 82 GLU HG3 . 11108 1 952 . 1 1 82 82 GLU C C 13 180.257 0.300 . 1 . . . . 82 GLU C . 11108 1 953 . 1 1 82 82 GLU CA C 13 59.768 0.300 . 1 . . . . 82 GLU CA . 11108 1 954 . 1 1 82 82 GLU CB C 13 29.361 0.300 . 1 . . . . 82 GLU CB . 11108 1 955 . 1 1 82 82 GLU CG C 13 36.542 0.300 . 1 . . . . 82 GLU CG . 11108 1 956 . 1 1 82 82 GLU N N 15 118.063 0.300 . 1 . . . . 82 GLU N . 11108 1 957 . 1 1 83 83 VAL H H 1 7.274 0.030 . 1 . . . . 83 VAL H . 11108 1 958 . 1 1 83 83 VAL HA H 1 3.783 0.030 . 1 . . . . 83 VAL HA . 11108 1 959 . 1 1 83 83 VAL HB H 1 1.959 0.030 . 1 . . . . 83 VAL HB . 11108 1 960 . 1 1 83 83 VAL HG11 H 1 0.533 0.030 . 1 . . . . 83 VAL HG1 . 11108 1 961 . 1 1 83 83 VAL HG12 H 1 0.533 0.030 . 1 . . . . 83 VAL HG1 . 11108 1 962 . 1 1 83 83 VAL HG13 H 1 0.533 0.030 . 1 . . . . 83 VAL HG1 . 11108 1 963 . 1 1 83 83 VAL HG21 H 1 0.866 0.030 . 1 . . . . 83 VAL HG2 . 11108 1 964 . 1 1 83 83 VAL HG22 H 1 0.866 0.030 . 1 . . . . 83 VAL HG2 . 11108 1 965 . 1 1 83 83 VAL HG23 H 1 0.866 0.030 . 1 . . . . 83 VAL HG2 . 11108 1 966 . 1 1 83 83 VAL C C 13 176.901 0.300 . 1 . . . . 83 VAL C . 11108 1 967 . 1 1 83 83 VAL CA C 13 65.612 0.300 . 1 . . . . 83 VAL CA . 11108 1 968 . 1 1 83 83 VAL CB C 13 32.101 0.300 . 1 . . . . 83 VAL CB . 11108 1 969 . 1 1 83 83 VAL CG1 C 13 21.298 0.300 . 2 . . . . 83 VAL CG1 . 11108 1 970 . 1 1 83 83 VAL CG2 C 13 23.152 0.300 . 2 . . . . 83 VAL CG2 . 11108 1 971 . 1 1 83 83 VAL N N 15 119.137 0.300 . 1 . . . . 83 VAL N . 11108 1 972 . 1 1 84 84 SER H H 1 7.732 0.030 . 1 . . . . 84 SER H . 11108 1 973 . 1 1 84 84 SER HA H 1 3.895 0.030 . 1 . . . . 84 SER HA . 11108 1 974 . 1 1 84 84 SER HB2 H 1 3.959 0.030 . 2 . . . . 84 SER HB2 . 11108 1 975 . 1 1 84 84 SER HB3 H 1 3.832 0.030 . 2 . . . . 84 SER HB3 . 11108 1 976 . 1 1 84 84 SER C C 13 175.966 0.300 . 1 . . . . 84 SER C . 11108 1 977 . 1 1 84 84 SER CA C 13 61.917 0.300 . 1 . . . . 84 SER CA . 11108 1 978 . 1 1 84 84 SER CB C 13 62.166 0.300 . 1 . . . . 84 SER CB . 11108 1 979 . 1 1 84 84 SER N N 15 116.242 0.300 . 1 . . . . 84 SER N . 11108 1 980 . 1 1 85 85 GLU H H 1 8.613 0.030 . 1 . . . . 85 GLU H . 11108 1 981 . 1 1 85 85 GLU HA H 1 4.046 0.030 . 1 . . . . 85 GLU HA . 11108 1 982 . 1 1 85 85 GLU HB2 H 1 2.038 0.030 . 2 . . . . 85 GLU HB2 . 11108 1 983 . 1 1 85 85 GLU HB3 H 1 1.914 0.030 . 2 . . . . 85 GLU HB3 . 11108 1 984 . 1 1 85 85 GLU HG2 H 1 2.308 0.030 . 2 . . . . 85 GLU HG2 . 11108 1 985 . 1 1 85 85 GLU HG3 H 1 2.136 0.030 . 2 . . . . 85 GLU HG3 . 11108 1 986 . 1 1 85 85 GLU C C 13 179.911 0.300 . 1 . . . . 85 GLU C . 11108 1 987 . 1 1 85 85 GLU CA C 13 59.079 0.300 . 1 . . . . 85 GLU CA . 11108 1 988 . 1 1 85 85 GLU CB C 13 29.568 0.300 . 1 . . . . 85 GLU CB . 11108 1 989 . 1 1 85 85 GLU CG C 13 36.367 0.300 . 1 . . . . 85 GLU CG . 11108 1 990 . 1 1 85 85 GLU N N 15 119.339 0.300 . 1 . . . . 85 GLU N . 11108 1 991 . 1 1 86 86 LYS H H 1 7.190 0.030 . 1 . . . . 86 LYS H . 11108 1 992 . 1 1 86 86 LYS HA H 1 3.861 0.030 . 1 . . . . 86 LYS HA . 11108 1 993 . 1 1 86 86 LYS HB2 H 1 1.829 0.030 . 2 . . . . 86 LYS HB2 . 11108 1 994 . 1 1 86 86 LYS HB3 H 1 1.660 0.030 . 2 . . . . 86 LYS HB3 . 11108 1 995 . 1 1 86 86 LYS HD2 H 1 1.539 0.030 . 2 . . . . 86 LYS HD2 . 11108 1 996 . 1 1 86 86 LYS HD3 H 1 1.462 0.030 . 2 . . . . 86 LYS HD3 . 11108 1 997 . 1 1 86 86 LYS HE2 H 1 2.844 0.030 . 1 . . . . 86 LYS HE2 . 11108 1 998 . 1 1 86 86 LYS HE3 H 1 2.844 0.030 . 1 . . . . 86 LYS HE3 . 11108 1 999 . 1 1 86 86 LYS HG2 H 1 1.014 0.030 . 2 . . . . 86 LYS HG2 . 11108 1 1000 . 1 1 86 86 LYS HG3 H 1 0.468 0.030 . 2 . . . . 86 LYS HG3 . 11108 1 1001 . 1 1 86 86 LYS C C 13 177.716 0.300 . 1 . . . . 86 LYS C . 11108 1 1002 . 1 1 86 86 LYS CA C 13 59.174 0.300 . 1 . . . . 86 LYS CA . 11108 1 1003 . 1 1 86 86 LYS CB C 13 32.169 0.300 . 1 . . . . 86 LYS CB . 11108 1 1004 . 1 1 86 86 LYS CD C 13 29.657 0.300 . 1 . . . . 86 LYS CD . 11108 1 1005 . 1 1 86 86 LYS CE C 13 42.187 0.300 . 1 . . . . 86 LYS CE . 11108 1 1006 . 1 1 86 86 LYS CG C 13 24.385 0.300 . 1 . . . . 86 LYS CG . 11108 1 1007 . 1 1 86 86 LYS N N 15 121.047 0.300 . 1 . . . . 86 LYS N . 11108 1 1008 . 1 1 87 87 TYR H H 1 7.302 0.030 . 1 . . . . 87 TYR H . 11108 1 1009 . 1 1 87 87 TYR HA H 1 4.567 0.030 . 1 . . . . 87 TYR HA . 11108 1 1010 . 1 1 87 87 TYR HB2 H 1 3.374 0.030 . 2 . . . . 87 TYR HB2 . 11108 1 1011 . 1 1 87 87 TYR HB3 H 1 2.176 0.030 . 2 . . . . 87 TYR HB3 . 11108 1 1012 . 1 1 87 87 TYR HD1 H 1 7.310 0.030 . 1 . . . . 87 TYR HD1 . 11108 1 1013 . 1 1 87 87 TYR HD2 H 1 7.310 0.030 . 1 . . . . 87 TYR HD2 . 11108 1 1014 . 1 1 87 87 TYR HE1 H 1 6.959 0.030 . 1 . . . . 87 TYR HE1 . 11108 1 1015 . 1 1 87 87 TYR HE2 H 1 6.959 0.030 . 1 . . . . 87 TYR HE2 . 11108 1 1016 . 1 1 87 87 TYR C C 13 173.231 0.300 . 1 . . . . 87 TYR C . 11108 1 1017 . 1 1 87 87 TYR CA C 13 58.288 0.300 . 1 . . . . 87 TYR CA . 11108 1 1018 . 1 1 87 87 TYR CB C 13 38.251 0.300 . 1 . . . . 87 TYR CB . 11108 1 1019 . 1 1 87 87 TYR CD1 C 13 133.229 0.300 . 1 . . . . 87 TYR CD1 . 11108 1 1020 . 1 1 87 87 TYR CD2 C 13 133.229 0.300 . 1 . . . . 87 TYR CD2 . 11108 1 1021 . 1 1 87 87 TYR CE1 C 13 117.500 0.300 . 1 . . . . 87 TYR CE1 . 11108 1 1022 . 1 1 87 87 TYR CE2 C 13 117.500 0.300 . 1 . . . . 87 TYR CE2 . 11108 1 1023 . 1 1 87 87 TYR N N 15 112.601 0.300 . 1 . . . . 87 TYR N . 11108 1 1024 . 1 1 88 88 GLU H H 1 7.598 0.030 . 1 . . . . 88 GLU H . 11108 1 1025 . 1 1 88 88 GLU HA H 1 3.830 0.030 . 1 . . . . 88 GLU HA . 11108 1 1026 . 1 1 88 88 GLU HB2 H 1 2.190 0.030 . 2 . . . . 88 GLU HB2 . 11108 1 1027 . 1 1 88 88 GLU HB3 H 1 2.018 0.030 . 2 . . . . 88 GLU HB3 . 11108 1 1028 . 1 1 88 88 GLU HG2 H 1 2.127 0.030 . 2 . . . . 88 GLU HG2 . 11108 1 1029 . 1 1 88 88 GLU HG3 H 1 2.023 0.030 . 2 . . . . 88 GLU HG3 . 11108 1 1030 . 1 1 88 88 GLU C C 13 175.874 0.300 . 1 . . . . 88 GLU C . 11108 1 1031 . 1 1 88 88 GLU CA C 13 56.910 0.300 . 1 . . . . 88 GLU CA . 11108 1 1032 . 1 1 88 88 GLU CB C 13 26.621 0.300 . 1 . . . . 88 GLU CB . 11108 1 1033 . 1 1 88 88 GLU CG C 13 36.834 0.300 . 1 . . . . 88 GLU CG . 11108 1 1034 . 1 1 88 88 GLU N N 15 115.794 0.300 . 1 . . . . 88 GLU N . 11108 1 1035 . 1 1 89 89 ILE H H 1 8.361 0.030 . 1 . . . . 89 ILE H . 11108 1 1036 . 1 1 89 89 ILE HA H 1 4.064 0.030 . 1 . . . . 89 ILE HA . 11108 1 1037 . 1 1 89 89 ILE HB H 1 1.802 0.030 . 1 . . . . 89 ILE HB . 11108 1 1038 . 1 1 89 89 ILE HD11 H 1 -0.025 0.030 . 1 . . . . 89 ILE HD1 . 11108 1 1039 . 1 1 89 89 ILE HD12 H 1 -0.025 0.030 . 1 . . . . 89 ILE HD1 . 11108 1 1040 . 1 1 89 89 ILE HD13 H 1 -0.025 0.030 . 1 . . . . 89 ILE HD1 . 11108 1 1041 . 1 1 89 89 ILE HG12 H 1 1.046 0.030 . 2 . . . . 89 ILE HG12 . 11108 1 1042 . 1 1 89 89 ILE HG13 H 1 0.020 0.030 . 2 . . . . 89 ILE HG13 . 11108 1 1043 . 1 1 89 89 ILE HG21 H 1 0.546 0.030 . 1 . . . . 89 ILE HG2 . 11108 1 1044 . 1 1 89 89 ILE HG22 H 1 0.546 0.030 . 1 . . . . 89 ILE HG2 . 11108 1 1045 . 1 1 89 89 ILE HG23 H 1 0.546 0.030 . 1 . . . . 89 ILE HG2 . 11108 1 1046 . 1 1 89 89 ILE C C 13 175.648 0.300 . 1 . . . . 89 ILE C . 11108 1 1047 . 1 1 89 89 ILE CA C 13 58.888 0.300 . 1 . . . . 89 ILE CA . 11108 1 1048 . 1 1 89 89 ILE CB C 13 34.874 0.300 . 1 . . . . 89 ILE CB . 11108 1 1049 . 1 1 89 89 ILE CD1 C 13 9.623 0.300 . 1 . . . . 89 ILE CD1 . 11108 1 1050 . 1 1 89 89 ILE CG1 C 13 25.553 0.300 . 1 . . . . 89 ILE CG1 . 11108 1 1051 . 1 1 89 89 ILE CG2 C 13 16.510 0.300 . 1 . . . . 89 ILE CG2 . 11108 1 1052 . 1 1 89 89 ILE N N 15 121.657 0.300 . 1 . . . . 89 ILE N . 11108 1 1053 . 1 1 90 90 SER H H 1 8.838 0.030 . 1 . . . . 90 SER H . 11108 1 1054 . 1 1 90 90 SER HA H 1 4.555 0.030 . 1 . . . . 90 SER HA . 11108 1 1055 . 1 1 90 90 SER HB2 H 1 3.908 0.030 . 2 . . . . 90 SER HB2 . 11108 1 1056 . 1 1 90 90 SER HB3 H 1 3.674 0.030 . 2 . . . . 90 SER HB3 . 11108 1 1057 . 1 1 90 90 SER C C 13 173.430 0.300 . 1 . . . . 90 SER C . 11108 1 1058 . 1 1 90 90 SER CA C 13 57.878 0.300 . 1 . . . . 90 SER CA . 11108 1 1059 . 1 1 90 90 SER CB C 13 64.660 0.300 . 1 . . . . 90 SER CB . 11108 1 1060 . 1 1 90 90 SER N N 15 122.982 0.300 . 1 . . . . 90 SER N . 11108 1 1061 . 1 1 91 91 SER H H 1 8.017 0.030 . 1 . . . . 91 SER H . 11108 1 1062 . 1 1 91 91 SER HA H 1 4.718 0.030 . 1 . . . . 91 SER HA . 11108 1 1063 . 1 1 91 91 SER HB2 H 1 3.808 0.030 . 1 . . . . 91 SER HB2 . 11108 1 1064 . 1 1 91 91 SER HB3 H 1 3.808 0.030 . 1 . . . . 91 SER HB3 . 11108 1 1065 . 1 1 91 91 SER C C 13 172.406 0.300 . 1 . . . . 91 SER C . 11108 1 1066 . 1 1 91 91 SER CA C 13 57.278 0.300 . 1 . . . . 91 SER CA . 11108 1 1067 . 1 1 91 91 SER CB C 13 64.885 0.300 . 1 . . . . 91 SER CB . 11108 1 1068 . 1 1 91 91 SER N N 15 117.127 0.300 . 1 . . . . 91 SER N . 11108 1 1069 . 1 1 92 92 VAL H H 1 8.326 0.030 . 1 . . . . 92 VAL H . 11108 1 1070 . 1 1 92 92 VAL HA H 1 4.656 0.030 . 1 . . . . 92 VAL HA . 11108 1 1071 . 1 1 92 92 VAL HB H 1 1.921 0.030 . 1 . . . . 92 VAL HB . 11108 1 1072 . 1 1 92 92 VAL HG11 H 1 0.494 0.030 . 1 . . . . 92 VAL HG1 . 11108 1 1073 . 1 1 92 92 VAL HG12 H 1 0.494 0.030 . 1 . . . . 92 VAL HG1 . 11108 1 1074 . 1 1 92 92 VAL HG13 H 1 0.494 0.030 . 1 . . . . 92 VAL HG1 . 11108 1 1075 . 1 1 92 92 VAL HG21 H 1 0.522 0.030 . 1 . . . . 92 VAL HG2 . 11108 1 1076 . 1 1 92 92 VAL HG22 H 1 0.522 0.030 . 1 . . . . 92 VAL HG2 . 11108 1 1077 . 1 1 92 92 VAL HG23 H 1 0.522 0.030 . 1 . . . . 92 VAL HG2 . 11108 1 1078 . 1 1 92 92 VAL C C 13 173.345 0.300 . 1 . . . . 92 VAL C . 11108 1 1079 . 1 1 92 92 VAL CA C 13 57.364 0.300 . 1 . . . . 92 VAL CA . 11108 1 1080 . 1 1 92 92 VAL CB C 13 33.973 0.300 . 1 . . . . 92 VAL CB . 11108 1 1081 . 1 1 92 92 VAL CG1 C 13 21.630 0.300 . 2 . . . . 92 VAL CG1 . 11108 1 1082 . 1 1 92 92 VAL CG2 C 13 18.517 0.300 . 2 . . . . 92 VAL CG2 . 11108 1 1083 . 1 1 92 92 VAL N N 15 113.172 0.300 . 1 . . . . 92 VAL N . 11108 1 1084 . 1 1 93 93 PRO HA H 1 5.038 0.030 . 1 . . . . 93 PRO HA . 11108 1 1085 . 1 1 93 93 PRO HB2 H 1 1.802 0.030 . 2 . . . . 93 PRO HB2 . 11108 1 1086 . 1 1 93 93 PRO HB3 H 1 3.392 0.030 . 2 . . . . 93 PRO HB3 . 11108 1 1087 . 1 1 93 93 PRO HD2 H 1 3.704 0.030 . 2 . . . . 93 PRO HD2 . 11108 1 1088 . 1 1 93 93 PRO HD3 H 1 3.596 0.030 . 2 . . . . 93 PRO HD3 . 11108 1 1089 . 1 1 93 93 PRO HG2 H 1 1.883 0.030 . 2 . . . . 93 PRO HG2 . 11108 1 1090 . 1 1 93 93 PRO HG3 H 1 1.810 0.030 . 2 . . . . 93 PRO HG3 . 11108 1 1091 . 1 1 93 93 PRO C C 13 177.582 0.300 . 1 . . . . 93 PRO C . 11108 1 1092 . 1 1 93 93 PRO CA C 13 62.434 0.300 . 1 . . . . 93 PRO CA . 11108 1 1093 . 1 1 93 93 PRO CB C 13 35.250 0.300 . 1 . . . . 93 PRO CB . 11108 1 1094 . 1 1 93 93 PRO CD C 13 50.373 0.300 . 1 . . . . 93 PRO CD . 11108 1 1095 . 1 1 93 93 PRO CG C 13 25.081 0.300 . 1 . . . . 93 PRO CG . 11108 1 1096 . 1 1 94 94 THR H H 1 8.029 0.030 . 1 . . . . 94 THR H . 11108 1 1097 . 1 1 94 94 THR HA H 1 4.982 0.030 . 1 . . . . 94 THR HA . 11108 1 1098 . 1 1 94 94 THR HB H 1 3.823 0.030 . 1 . . . . 94 THR HB . 11108 1 1099 . 1 1 94 94 THR HG21 H 1 1.252 0.030 . 1 . . . . 94 THR HG2 . 11108 1 1100 . 1 1 94 94 THR HG22 H 1 1.252 0.030 . 1 . . . . 94 THR HG2 . 11108 1 1101 . 1 1 94 94 THR HG23 H 1 1.252 0.030 . 1 . . . . 94 THR HG2 . 11108 1 1102 . 1 1 94 94 THR C C 13 171.766 0.300 . 1 . . . . 94 THR C . 11108 1 1103 . 1 1 94 94 THR CA C 13 63.652 0.300 . 1 . . . . 94 THR CA . 11108 1 1104 . 1 1 94 94 THR CB C 13 72.872 0.300 . 1 . . . . 94 THR CB . 11108 1 1105 . 1 1 94 94 THR CG2 C 13 22.057 0.300 . 1 . . . . 94 THR CG2 . 11108 1 1106 . 1 1 94 94 THR N N 15 117.846 0.300 . 1 . . . . 94 THR N . 11108 1 1107 . 1 1 95 95 PHE H H 1 9.868 0.030 . 1 . . . . 95 PHE H . 11108 1 1108 . 1 1 95 95 PHE HA H 1 6.142 0.030 . 1 . . . . 95 PHE HA . 11108 1 1109 . 1 1 95 95 PHE HB2 H 1 3.080 0.030 . 2 . . . . 95 PHE HB2 . 11108 1 1110 . 1 1 95 95 PHE HB3 H 1 2.465 0.030 . 2 . . . . 95 PHE HB3 . 11108 1 1111 . 1 1 95 95 PHE HD1 H 1 7.087 0.030 . 1 . . . . 95 PHE HD1 . 11108 1 1112 . 1 1 95 95 PHE HD2 H 1 7.087 0.030 . 1 . . . . 95 PHE HD2 . 11108 1 1113 . 1 1 95 95 PHE HE1 H 1 7.030 0.030 . 1 . . . . 95 PHE HE1 . 11108 1 1114 . 1 1 95 95 PHE HE2 H 1 7.030 0.030 . 1 . . . . 95 PHE HE2 . 11108 1 1115 . 1 1 95 95 PHE HZ H 1 6.349 0.030 . 1 . . . . 95 PHE HZ . 11108 1 1116 . 1 1 95 95 PHE C C 13 175.461 0.300 . 1 . . . . 95 PHE C . 11108 1 1117 . 1 1 95 95 PHE CA C 13 55.748 0.300 . 1 . . . . 95 PHE CA . 11108 1 1118 . 1 1 95 95 PHE CB C 13 41.679 0.300 . 1 . . . . 95 PHE CB . 11108 1 1119 . 1 1 95 95 PHE CD1 C 13 131.572 0.300 . 1 . . . . 95 PHE CD1 . 11108 1 1120 . 1 1 95 95 PHE CD2 C 13 131.572 0.300 . 1 . . . . 95 PHE CD2 . 11108 1 1121 . 1 1 95 95 PHE CE1 C 13 130.828 0.300 . 1 . . . . 95 PHE CE1 . 11108 1 1122 . 1 1 95 95 PHE CE2 C 13 130.828 0.300 . 1 . . . . 95 PHE CE2 . 11108 1 1123 . 1 1 95 95 PHE CZ C 13 129.237 0.300 . 1 . . . . 95 PHE CZ . 11108 1 1124 . 1 1 95 95 PHE N N 15 125.396 0.300 . 1 . . . . 95 PHE N . 11108 1 1125 . 1 1 96 96 LEU H H 1 8.984 0.030 . 1 . . . . 96 LEU H . 11108 1 1126 . 1 1 96 96 LEU HA H 1 5.131 0.030 . 1 . . . . 96 LEU HA . 11108 1 1127 . 1 1 96 96 LEU HB2 H 1 1.790 0.030 . 2 . . . . 96 LEU HB2 . 11108 1 1128 . 1 1 96 96 LEU HB3 H 1 1.229 0.030 . 2 . . . . 96 LEU HB3 . 11108 1 1129 . 1 1 96 96 LEU HD11 H 1 0.799 0.030 . 1 . . . . 96 LEU HD1 . 11108 1 1130 . 1 1 96 96 LEU HD12 H 1 0.799 0.030 . 1 . . . . 96 LEU HD1 . 11108 1 1131 . 1 1 96 96 LEU HD13 H 1 0.799 0.030 . 1 . . . . 96 LEU HD1 . 11108 1 1132 . 1 1 96 96 LEU HD21 H 1 0.949 0.030 . 1 . . . . 96 LEU HD2 . 11108 1 1133 . 1 1 96 96 LEU HD22 H 1 0.949 0.030 . 1 . . . . 96 LEU HD2 . 11108 1 1134 . 1 1 96 96 LEU HD23 H 1 0.949 0.030 . 1 . . . . 96 LEU HD2 . 11108 1 1135 . 1 1 96 96 LEU HG H 1 1.671 0.030 . 1 . . . . 96 LEU HG . 11108 1 1136 . 1 1 96 96 LEU C C 13 173.987 0.300 . 1 . . . . 96 LEU C . 11108 1 1137 . 1 1 96 96 LEU CA C 13 53.349 0.300 . 1 . . . . 96 LEU CA . 11108 1 1138 . 1 1 96 96 LEU CB C 13 46.999 0.300 . 1 . . . . 96 LEU CB . 11108 1 1139 . 1 1 96 96 LEU CD1 C 13 26.883 0.300 . 2 . . . . 96 LEU CD1 . 11108 1 1140 . 1 1 96 96 LEU CD2 C 13 23.426 0.300 . 2 . . . . 96 LEU CD2 . 11108 1 1141 . 1 1 96 96 LEU CG C 13 27.682 0.300 . 1 . . . . 96 LEU CG . 11108 1 1142 . 1 1 96 96 LEU N N 15 120.662 0.300 . 1 . . . . 96 LEU N . 11108 1 1143 . 1 1 97 97 PHE H H 1 7.382 0.030 . 1 . . . . 97 PHE H . 11108 1 1144 . 1 1 97 97 PHE HA H 1 5.280 0.030 . 1 . . . . 97 PHE HA . 11108 1 1145 . 1 1 97 97 PHE HB2 H 1 2.563 0.030 . 2 . . . . 97 PHE HB2 . 11108 1 1146 . 1 1 97 97 PHE HB3 H 1 2.301 0.030 . 2 . . . . 97 PHE HB3 . 11108 1 1147 . 1 1 97 97 PHE HD1 H 1 6.997 0.030 . 1 . . . . 97 PHE HD1 . 11108 1 1148 . 1 1 97 97 PHE HD2 H 1 6.997 0.030 . 1 . . . . 97 PHE HD2 . 11108 1 1149 . 1 1 97 97 PHE HE1 H 1 7.048 0.030 . 1 . . . . 97 PHE HE1 . 11108 1 1150 . 1 1 97 97 PHE HE2 H 1 7.048 0.030 . 1 . . . . 97 PHE HE2 . 11108 1 1151 . 1 1 97 97 PHE HZ H 1 7.048 0.030 . 1 . . . . 97 PHE HZ . 11108 1 1152 . 1 1 97 97 PHE C C 13 174.489 0.300 . 1 . . . . 97 PHE C . 11108 1 1153 . 1 1 97 97 PHE CA C 13 55.504 0.300 . 1 . . . . 97 PHE CA . 11108 1 1154 . 1 1 97 97 PHE CB C 13 40.697 0.300 . 1 . . . . 97 PHE CB . 11108 1 1155 . 1 1 97 97 PHE CD1 C 13 131.761 0.300 . 1 . . . . 97 PHE CD1 . 11108 1 1156 . 1 1 97 97 PHE CD2 C 13 131.761 0.300 . 1 . . . . 97 PHE CD2 . 11108 1 1157 . 1 1 97 97 PHE CE1 C 13 130.653 0.300 . 1 . . . . 97 PHE CE1 . 11108 1 1158 . 1 1 97 97 PHE CE2 C 13 130.653 0.300 . 1 . . . . 97 PHE CE2 . 11108 1 1159 . 1 1 97 97 PHE CZ C 13 129.650 0.300 . 1 . . . . 97 PHE CZ . 11108 1 1160 . 1 1 97 97 PHE N N 15 118.916 0.300 . 1 . . . . 97 PHE N . 11108 1 1161 . 1 1 98 98 PHE H H 1 9.766 0.030 . 1 . . . . 98 PHE H . 11108 1 1162 . 1 1 98 98 PHE HA H 1 5.643 0.030 . 1 . . . . 98 PHE HA . 11108 1 1163 . 1 1 98 98 PHE HB2 H 1 2.749 0.030 . 2 . . . . 98 PHE HB2 . 11108 1 1164 . 1 1 98 98 PHE HB3 H 1 2.638 0.030 . 2 . . . . 98 PHE HB3 . 11108 1 1165 . 1 1 98 98 PHE HD1 H 1 6.729 0.030 . 1 . . . . 98 PHE HD1 . 11108 1 1166 . 1 1 98 98 PHE HD2 H 1 6.729 0.030 . 1 . . . . 98 PHE HD2 . 11108 1 1167 . 1 1 98 98 PHE HE1 H 1 7.102 0.030 . 1 . . . . 98 PHE HE1 . 11108 1 1168 . 1 1 98 98 PHE HE2 H 1 7.102 0.030 . 1 . . . . 98 PHE HE2 . 11108 1 1169 . 1 1 98 98 PHE HZ H 1 6.361 0.030 . 1 . . . . 98 PHE HZ . 11108 1 1170 . 1 1 98 98 PHE C C 13 175.976 0.300 . 1 . . . . 98 PHE C . 11108 1 1171 . 1 1 98 98 PHE CA C 13 56.837 0.300 . 1 . . . . 98 PHE CA . 11108 1 1172 . 1 1 98 98 PHE CB C 13 43.986 0.300 . 1 . . . . 98 PHE CB . 11108 1 1173 . 1 1 98 98 PHE CD1 C 13 131.808 0.300 . 1 . . . . 98 PHE CD1 . 11108 1 1174 . 1 1 98 98 PHE CD2 C 13 131.808 0.300 . 1 . . . . 98 PHE CD2 . 11108 1 1175 . 1 1 98 98 PHE CE1 C 13 131.055 0.300 . 1 . . . . 98 PHE CE1 . 11108 1 1176 . 1 1 98 98 PHE CE2 C 13 131.055 0.300 . 1 . . . . 98 PHE CE2 . 11108 1 1177 . 1 1 98 98 PHE CZ C 13 128.820 0.300 . 1 . . . . 98 PHE CZ . 11108 1 1178 . 1 1 98 98 PHE N N 15 121.247 0.300 . 1 . . . . 98 PHE N . 11108 1 1179 . 1 1 99 99 LYS H H 1 8.696 0.030 . 1 . . . . 99 LYS H . 11108 1 1180 . 1 1 99 99 LYS HA H 1 4.747 0.030 . 1 . . . . 99 LYS HA . 11108 1 1181 . 1 1 99 99 LYS HB2 H 1 1.828 0.030 . 2 . . . . 99 LYS HB2 . 11108 1 1182 . 1 1 99 99 LYS HB3 H 1 1.612 0.030 . 2 . . . . 99 LYS HB3 . 11108 1 1183 . 1 1 99 99 LYS HD2 H 1 1.666 0.030 . 2 . . . . 99 LYS HD2 . 11108 1 1184 . 1 1 99 99 LYS HE2 H 1 2.927 0.030 . 2 . . . . 99 LYS HE2 . 11108 1 1185 . 1 1 99 99 LYS HE3 H 1 2.836 0.030 . 2 . . . . 99 LYS HE3 . 11108 1 1186 . 1 1 99 99 LYS HG2 H 1 1.488 0.030 . 2 . . . . 99 LYS HG2 . 11108 1 1187 . 1 1 99 99 LYS HG3 H 1 1.392 0.030 . 2 . . . . 99 LYS HG3 . 11108 1 1188 . 1 1 99 99 LYS C C 13 176.935 0.300 . 1 . . . . 99 LYS C . 11108 1 1189 . 1 1 99 99 LYS CA C 13 57.219 0.300 . 1 . . . . 99 LYS CA . 11108 1 1190 . 1 1 99 99 LYS CB C 13 37.394 0.300 . 1 . . . . 99 LYS CB . 11108 1 1191 . 1 1 99 99 LYS CD C 13 29.756 0.300 . 1 . . . . 99 LYS CD . 11108 1 1192 . 1 1 99 99 LYS CE C 13 42.641 0.300 . 1 . . . . 99 LYS CE . 11108 1 1193 . 1 1 99 99 LYS CG C 13 26.370 0.300 . 1 . . . . 99 LYS CG . 11108 1 1194 . 1 1 99 99 LYS N N 15 120.548 0.300 . 1 . . . . 99 LYS N . 11108 1 1195 . 1 1 100 100 ASN H H 1 9.552 0.030 . 1 . . . . 100 ASN H . 11108 1 1196 . 1 1 100 100 ASN HA H 1 4.484 0.030 . 1 . . . . 100 ASN HA . 11108 1 1197 . 1 1 100 100 ASN HB2 H 1 3.176 0.030 . 2 . . . . 100 ASN HB2 . 11108 1 1198 . 1 1 100 100 ASN HB3 H 1 2.653 0.030 . 2 . . . . 100 ASN HB3 . 11108 1 1199 . 1 1 100 100 ASN HD21 H 1 7.664 0.030 . 2 . . . . 100 ASN HD21 . 11108 1 1200 . 1 1 100 100 ASN HD22 H 1 6.917 0.030 . 2 . . . . 100 ASN HD22 . 11108 1 1201 . 1 1 100 100 ASN C C 13 174.392 0.300 . 1 . . . . 100 ASN C . 11108 1 1202 . 1 1 100 100 ASN CA C 13 54.785 0.300 . 1 . . . . 100 ASN CA . 11108 1 1203 . 1 1 100 100 ASN CB C 13 37.430 0.300 . 1 . . . . 100 ASN CB . 11108 1 1204 . 1 1 100 100 ASN N N 15 126.132 0.300 . 1 . . . . 100 ASN N . 11108 1 1205 . 1 1 100 100 ASN ND2 N 15 112.349 0.300 . 1 . . . . 100 ASN ND2 . 11108 1 1206 . 1 1 101 101 SER H H 1 9.751 0.030 . 1 . . . . 101 SER H . 11108 1 1207 . 1 1 101 101 SER HA H 1 3.781 0.030 . 1 . . . . 101 SER HA . 11108 1 1208 . 1 1 101 101 SER HB2 H 1 4.138 0.030 . 2 . . . . 101 SER HB2 . 11108 1 1209 . 1 1 101 101 SER HB3 H 1 3.980 0.030 . 2 . . . . 101 SER HB3 . 11108 1 1210 . 1 1 101 101 SER C C 13 172.769 0.300 . 1 . . . . 101 SER C . 11108 1 1211 . 1 1 101 101 SER CA C 13 60.266 0.300 . 1 . . . . 101 SER CA . 11108 1 1212 . 1 1 101 101 SER CB C 13 61.419 0.300 . 1 . . . . 101 SER CB . 11108 1 1213 . 1 1 101 101 SER N N 15 107.561 0.300 . 1 . . . . 101 SER N . 11108 1 1214 . 1 1 102 102 GLN H H 1 8.011 0.030 . 1 . . . . 102 GLN H . 11108 1 1215 . 1 1 102 102 GLN HA H 1 4.835 0.030 . 1 . . . . 102 GLN HA . 11108 1 1216 . 1 1 102 102 GLN HB2 H 1 2.121 0.030 . 2 . . . . 102 GLN HB2 . 11108 1 1217 . 1 1 102 102 GLN HB3 H 1 1.982 0.030 . 2 . . . . 102 GLN HB3 . 11108 1 1218 . 1 1 102 102 GLN HE21 H 1 7.490 0.030 . 2 . . . . 102 GLN HE21 . 11108 1 1219 . 1 1 102 102 GLN HE22 H 1 6.929 0.030 . 2 . . . . 102 GLN HE22 . 11108 1 1220 . 1 1 102 102 GLN HG2 H 1 2.431 0.030 . 1 . . . . 102 GLN HG2 . 11108 1 1221 . 1 1 102 102 GLN HG3 H 1 2.431 0.030 . 1 . . . . 102 GLN HG3 . 11108 1 1222 . 1 1 102 102 GLN C C 13 174.535 0.300 . 1 . . . . 102 GLN C . 11108 1 1223 . 1 1 102 102 GLN CA C 13 53.613 0.300 . 1 . . . . 102 GLN CA . 11108 1 1224 . 1 1 102 102 GLN CB C 13 31.553 0.300 . 1 . . . . 102 GLN CB . 11108 1 1225 . 1 1 102 102 GLN CG C 13 33.221 0.300 . 1 . . . . 102 GLN CG . 11108 1 1226 . 1 1 102 102 GLN N N 15 118.556 0.300 . 1 . . . . 102 GLN N . 11108 1 1227 . 1 1 102 102 GLN NE2 N 15 112.419 0.300 . 1 . . . . 102 GLN NE2 . 11108 1 1228 . 1 1 103 103 LYS H H 1 8.908 0.030 . 1 . . . . 103 LYS H . 11108 1 1229 . 1 1 103 103 LYS HA H 1 3.927 0.030 . 1 . . . . 103 LYS HA . 11108 1 1230 . 1 1 103 103 LYS HB2 H 1 1.846 0.030 . 2 . . . . 103 LYS HB2 . 11108 1 1231 . 1 1 103 103 LYS HB3 H 1 1.512 0.030 . 2 . . . . 103 LYS HB3 . 11108 1 1232 . 1 1 103 103 LYS HD2 H 1 1.612 0.030 . 2 . . . . 103 LYS HD2 . 11108 1 1233 . 1 1 103 103 LYS HD3 H 1 1.656 0.030 . 2 . . . . 103 LYS HD3 . 11108 1 1234 . 1 1 103 103 LYS HE2 H 1 2.999 0.030 . 1 . . . . 103 LYS HE2 . 11108 1 1235 . 1 1 103 103 LYS HE3 H 1 2.999 0.030 . 1 . . . . 103 LYS HE3 . 11108 1 1236 . 1 1 103 103 LYS HG2 H 1 1.279 0.030 . 2 . . . . 103 LYS HG2 . 11108 1 1237 . 1 1 103 103 LYS HG3 H 1 1.080 0.030 . 2 . . . . 103 LYS HG3 . 11108 1 1238 . 1 1 103 103 LYS C C 13 177.294 0.300 . 1 . . . . 103 LYS C . 11108 1 1239 . 1 1 103 103 LYS CA C 13 56.294 0.300 . 1 . . . . 103 LYS CA . 11108 1 1240 . 1 1 103 103 LYS CB C 13 31.026 0.300 . 1 . . . . 103 LYS CB . 11108 1 1241 . 1 1 103 103 LYS CD C 13 29.477 0.300 . 1 . . . . 103 LYS CD . 11108 1 1242 . 1 1 103 103 LYS CE C 13 41.101 0.300 . 1 . . . . 103 LYS CE . 11108 1 1243 . 1 1 103 103 LYS CG C 13 24.094 0.300 . 1 . . . . 103 LYS CG . 11108 1 1244 . 1 1 103 103 LYS N N 15 125.266 0.300 . 1 . . . . 103 LYS N . 11108 1 1245 . 1 1 104 104 ILE H H 1 8.944 0.030 . 1 . . . . 104 ILE H . 11108 1 1246 . 1 1 104 104 ILE HA H 1 4.563 0.030 . 1 . . . . 104 ILE HA . 11108 1 1247 . 1 1 104 104 ILE HB H 1 1.880 0.030 . 1 . . . . 104 ILE HB . 11108 1 1248 . 1 1 104 104 ILE HD11 H 1 0.344 0.030 . 1 . . . . 104 ILE HD1 . 11108 1 1249 . 1 1 104 104 ILE HD12 H 1 0.344 0.030 . 1 . . . . 104 ILE HD1 . 11108 1 1250 . 1 1 104 104 ILE HD13 H 1 0.344 0.030 . 1 . . . . 104 ILE HD1 . 11108 1 1251 . 1 1 104 104 ILE HG12 H 1 0.655 0.030 . 2 . . . . 104 ILE HG12 . 11108 1 1252 . 1 1 104 104 ILE HG13 H 1 0.590 0.030 . 2 . . . . 104 ILE HG13 . 11108 1 1253 . 1 1 104 104 ILE HG21 H 1 0.871 0.030 . 1 . . . . 104 ILE HG2 . 11108 1 1254 . 1 1 104 104 ILE HG22 H 1 0.871 0.030 . 1 . . . . 104 ILE HG2 . 11108 1 1255 . 1 1 104 104 ILE HG23 H 1 0.871 0.030 . 1 . . . . 104 ILE HG2 . 11108 1 1256 . 1 1 104 104 ILE C C 13 174.998 0.300 . 1 . . . . 104 ILE C . 11108 1 1257 . 1 1 104 104 ILE CA C 13 60.709 0.300 . 1 . . . . 104 ILE CA . 11108 1 1258 . 1 1 104 104 ILE CB C 13 40.218 0.300 . 1 . . . . 104 ILE CB . 11108 1 1259 . 1 1 104 104 ILE CD1 C 13 13.986 0.300 . 1 . . . . 104 ILE CD1 . 11108 1 1260 . 1 1 104 104 ILE CG1 C 13 26.379 0.300 . 1 . . . . 104 ILE CG1 . 11108 1 1261 . 1 1 104 104 ILE CG2 C 13 18.675 0.300 . 1 . . . . 104 ILE CG2 . 11108 1 1262 . 1 1 104 104 ILE N N 15 121.376 0.300 . 1 . . . . 104 ILE N . 11108 1 1263 . 1 1 105 105 ASP H H 1 7.694 0.030 . 1 . . . . 105 ASP H . 11108 1 1264 . 1 1 105 105 ASP HA H 1 4.676 0.030 . 1 . . . . 105 ASP HA . 11108 1 1265 . 1 1 105 105 ASP HB2 H 1 2.320 0.030 . 2 . . . . 105 ASP HB2 . 11108 1 1266 . 1 1 105 105 ASP HB3 H 1 1.753 0.030 . 2 . . . . 105 ASP HB3 . 11108 1 1267 . 1 1 105 105 ASP C C 13 173.442 0.300 . 1 . . . . 105 ASP C . 11108 1 1268 . 1 1 105 105 ASP CA C 13 52.924 0.300 . 1 . . . . 105 ASP CA . 11108 1 1269 . 1 1 105 105 ASP CB C 13 41.954 0.300 . 1 . . . . 105 ASP CB . 11108 1 1270 . 1 1 105 105 ASP N N 15 118.155 0.300 . 1 . . . . 105 ASP N . 11108 1 1271 . 1 1 106 106 ARG H H 1 9.665 0.030 . 1 . . . . 106 ARG H . 11108 1 1272 . 1 1 106 106 ARG HA H 1 5.380 0.030 . 1 . . . . 106 ARG HA . 11108 1 1273 . 1 1 106 106 ARG HB2 H 1 1.721 0.030 . 1 . . . . 106 ARG HB2 . 11108 1 1274 . 1 1 106 106 ARG HB3 H 1 1.721 0.030 . 1 . . . . 106 ARG HB3 . 11108 1 1275 . 1 1 106 106 ARG HD2 H 1 3.133 0.030 . 2 . . . . 106 ARG HD2 . 11108 1 1276 . 1 1 106 106 ARG HD3 H 1 2.987 0.030 . 2 . . . . 106 ARG HD3 . 11108 1 1277 . 1 1 106 106 ARG HE H 1 9.021 0.030 . 1 . . . . 106 ARG HE . 11108 1 1278 . 1 1 106 106 ARG HG2 H 1 1.538 0.030 . 2 . . . . 106 ARG HG2 . 11108 1 1279 . 1 1 106 106 ARG HG3 H 1 1.486 0.030 . 2 . . . . 106 ARG HG3 . 11108 1 1280 . 1 1 106 106 ARG C C 13 173.260 0.300 . 1 . . . . 106 ARG C . 11108 1 1281 . 1 1 106 106 ARG CA C 13 55.381 0.300 . 1 . . . . 106 ARG CA . 11108 1 1282 . 1 1 106 106 ARG CB C 13 34.362 0.300 . 1 . . . . 106 ARG CB . 11108 1 1283 . 1 1 106 106 ARG CD C 13 44.104 0.300 . 1 . . . . 106 ARG CD . 11108 1 1284 . 1 1 106 106 ARG CG C 13 27.713 0.300 . 1 . . . . 106 ARG CG . 11108 1 1285 . 1 1 106 106 ARG N N 15 121.570 0.300 . 1 . . . . 106 ARG N . 11108 1 1286 . 1 1 106 106 ARG NE N 15 88.403 0.300 . 1 . . . . 106 ARG NE . 11108 1 1287 . 1 1 107 107 LEU H H 1 9.488 0.030 . 1 . . . . 107 LEU H . 11108 1 1288 . 1 1 107 107 LEU HA H 1 5.010 0.030 . 1 . . . . 107 LEU HA . 11108 1 1289 . 1 1 107 107 LEU HB2 H 1 2.212 0.030 . 2 . . . . 107 LEU HB2 . 11108 1 1290 . 1 1 107 107 LEU HB3 H 1 1.338 0.030 . 2 . . . . 107 LEU HB3 . 11108 1 1291 . 1 1 107 107 LEU HD11 H 1 0.891 0.030 . 1 . . . . 107 LEU HD1 . 11108 1 1292 . 1 1 107 107 LEU HD12 H 1 0.891 0.030 . 1 . . . . 107 LEU HD1 . 11108 1 1293 . 1 1 107 107 LEU HD13 H 1 0.891 0.030 . 1 . . . . 107 LEU HD1 . 11108 1 1294 . 1 1 107 107 LEU HD21 H 1 1.043 0.030 . 1 . . . . 107 LEU HD2 . 11108 1 1295 . 1 1 107 107 LEU HD22 H 1 1.043 0.030 . 1 . . . . 107 LEU HD2 . 11108 1 1296 . 1 1 107 107 LEU HD23 H 1 1.043 0.030 . 1 . . . . 107 LEU HD2 . 11108 1 1297 . 1 1 107 107 LEU HG H 1 1.876 0.030 . 1 . . . . 107 LEU HG . 11108 1 1298 . 1 1 107 107 LEU C C 13 173.814 0.300 . 1 . . . . 107 LEU C . 11108 1 1299 . 1 1 107 107 LEU CA C 13 54.112 0.300 . 1 . . . . 107 LEU CA . 11108 1 1300 . 1 1 107 107 LEU CB C 13 47.266 0.300 . 1 . . . . 107 LEU CB . 11108 1 1301 . 1 1 107 107 LEU CD1 C 13 27.275 0.300 . 2 . . . . 107 LEU CD1 . 11108 1 1302 . 1 1 107 107 LEU CD2 C 13 24.042 0.300 . 2 . . . . 107 LEU CD2 . 11108 1 1303 . 1 1 107 107 LEU CG C 13 27.254 0.300 . 1 . . . . 107 LEU CG . 11108 1 1304 . 1 1 107 107 LEU N N 15 126.217 0.300 . 1 . . . . 107 LEU N . 11108 1 1305 . 1 1 108 108 ASP H H 1 9.169 0.030 . 1 . . . . 108 ASP H . 11108 1 1306 . 1 1 108 108 ASP HA H 1 5.187 0.030 . 1 . . . . 108 ASP HA . 11108 1 1307 . 1 1 108 108 ASP HB2 H 1 2.696 0.030 . 1 . . . . 108 ASP HB2 . 11108 1 1308 . 1 1 108 108 ASP HB3 H 1 2.696 0.030 . 1 . . . . 108 ASP HB3 . 11108 1 1309 . 1 1 108 108 ASP C C 13 175.549 0.300 . 1 . . . . 108 ASP C . 11108 1 1310 . 1 1 108 108 ASP CA C 13 54.443 0.300 . 1 . . . . 108 ASP CA . 11108 1 1311 . 1 1 108 108 ASP CB C 13 41.897 0.300 . 1 . . . . 108 ASP CB . 11108 1 1312 . 1 1 108 108 ASP N N 15 129.391 0.300 . 1 . . . . 108 ASP N . 11108 1 1313 . 1 1 109 109 GLY H H 1 8.010 0.030 . 1 . . . . 109 GLY H . 11108 1 1314 . 1 1 109 109 GLY HA2 H 1 4.380 0.030 . 2 . . . . 109 GLY HA2 . 11108 1 1315 . 1 1 109 109 GLY HA3 H 1 3.737 0.030 . 2 . . . . 109 GLY HA3 . 11108 1 1316 . 1 1 109 109 GLY C C 13 172.824 0.300 . 1 . . . . 109 GLY C . 11108 1 1317 . 1 1 109 109 GLY CA C 13 44.879 0.300 . 1 . . . . 109 GLY CA . 11108 1 1318 . 1 1 109 109 GLY N N 15 110.438 0.300 . 1 . . . . 109 GLY N . 11108 1 1319 . 1 1 110 110 ALA H H 1 8.184 0.030 . 1 . . . . 110 ALA H . 11108 1 1320 . 1 1 110 110 ALA HA H 1 4.393 0.030 . 1 . . . . 110 ALA HA . 11108 1 1321 . 1 1 110 110 ALA HB1 H 1 1.258 0.030 . 1 . . . . 110 ALA HB . 11108 1 1322 . 1 1 110 110 ALA HB2 H 1 1.258 0.030 . 1 . . . . 110 ALA HB . 11108 1 1323 . 1 1 110 110 ALA HB3 H 1 1.258 0.030 . 1 . . . . 110 ALA HB . 11108 1 1324 . 1 1 110 110 ALA C C 13 175.815 0.300 . 1 . . . . 110 ALA C . 11108 1 1325 . 1 1 110 110 ALA CA C 13 50.932 0.300 . 1 . . . . 110 ALA CA . 11108 1 1326 . 1 1 110 110 ALA CB C 13 18.127 0.300 . 1 . . . . 110 ALA CB . 11108 1 1327 . 1 1 110 110 ALA N N 15 120.305 0.300 . 1 . . . . 110 ALA N . 11108 1 1328 . 1 1 111 111 HIS H H 1 7.313 0.030 . 1 . . . . 111 HIS H . 11108 1 1329 . 1 1 111 111 HIS HA H 1 5.057 0.030 . 1 . . . . 111 HIS HA . 11108 1 1330 . 1 1 111 111 HIS HB2 H 1 3.418 0.030 . 2 . . . . 111 HIS HB2 . 11108 1 1331 . 1 1 111 111 HIS HB3 H 1 2.911 0.030 . 2 . . . . 111 HIS HB3 . 11108 1 1332 . 1 1 111 111 HIS HD2 H 1 7.166 0.030 . 1 . . . . 111 HIS HD2 . 11108 1 1333 . 1 1 111 111 HIS HE1 H 1 7.973 0.030 . 1 . . . . 111 HIS HE1 . 11108 1 1334 . 1 1 111 111 HIS C C 13 174.622 0.300 . 1 . . . . 111 HIS C . 11108 1 1335 . 1 1 111 111 HIS CA C 13 53.627 0.300 . 1 . . . . 111 HIS CA . 11108 1 1336 . 1 1 111 111 HIS CB C 13 30.811 0.300 . 1 . . . . 111 HIS CB . 11108 1 1337 . 1 1 111 111 HIS CD2 C 13 120.055 0.300 . 1 . . . . 111 HIS CD2 . 11108 1 1338 . 1 1 111 111 HIS CE1 C 13 138.521 0.300 . 1 . . . . 111 HIS CE1 . 11108 1 1339 . 1 1 111 111 HIS N N 15 122.644 0.300 . 1 . . . . 111 HIS N . 11108 1 1340 . 1 1 112 112 ALA H H 1 9.182 0.030 . 1 . . . . 112 ALA H . 11108 1 1341 . 1 1 112 112 ALA HA H 1 3.986 0.030 . 1 . . . . 112 ALA HA . 11108 1 1342 . 1 1 112 112 ALA HB1 H 1 1.493 0.030 . 1 . . . . 112 ALA HB . 11108 1 1343 . 1 1 112 112 ALA HB2 H 1 1.493 0.030 . 1 . . . . 112 ALA HB . 11108 1 1344 . 1 1 112 112 ALA HB3 H 1 1.493 0.030 . 1 . . . . 112 ALA HB . 11108 1 1345 . 1 1 112 112 ALA C C 13 176.076 0.300 . 1 . . . . 112 ALA C . 11108 1 1346 . 1 1 112 112 ALA CA C 13 57.247 0.300 . 1 . . . . 112 ALA CA . 11108 1 1347 . 1 1 112 112 ALA CB C 13 16.716 0.300 . 1 . . . . 112 ALA CB . 11108 1 1348 . 1 1 112 112 ALA N N 15 126.726 0.300 . 1 . . . . 112 ALA N . 11108 1 1349 . 1 1 113 113 PRO HA H 1 4.308 0.030 . 1 . . . . 113 PRO HA . 11108 1 1350 . 1 1 113 113 PRO HB2 H 1 2.348 0.030 . 2 . . . . 113 PRO HB2 . 11108 1 1351 . 1 1 113 113 PRO HB3 H 1 1.887 0.030 . 2 . . . . 113 PRO HB3 . 11108 1 1352 . 1 1 113 113 PRO HD2 H 1 3.834 0.030 . 2 . . . . 113 PRO HD2 . 11108 1 1353 . 1 1 113 113 PRO HD3 H 1 3.718 0.030 . 2 . . . . 113 PRO HD3 . 11108 1 1354 . 1 1 113 113 PRO HG2 H 1 2.170 0.030 . 2 . . . . 113 PRO HG2 . 11108 1 1355 . 1 1 113 113 PRO HG3 H 1 1.959 0.030 . 2 . . . . 113 PRO HG3 . 11108 1 1356 . 1 1 113 113 PRO C C 13 179.578 0.300 . 1 . . . . 113 PRO C . 11108 1 1357 . 1 1 113 113 PRO CA C 13 66.225 0.300 . 1 . . . . 113 PRO CA . 11108 1 1358 . 1 1 113 113 PRO CB C 13 30.778 0.300 . 1 . . . . 113 PRO CB . 11108 1 1359 . 1 1 113 113 PRO CD C 13 50.713 0.300 . 1 . . . . 113 PRO CD . 11108 1 1360 . 1 1 113 113 PRO CG C 13 28.527 0.300 . 1 . . . . 113 PRO CG . 11108 1 1361 . 1 1 114 114 GLU H H 1 7.832 0.030 . 1 . . . . 114 GLU H . 11108 1 1362 . 1 1 114 114 GLU HA H 1 4.044 0.030 . 1 . . . . 114 GLU HA . 11108 1 1363 . 1 1 114 114 GLU HB2 H 1 2.068 0.030 . 2 . . . . 114 GLU HB2 . 11108 1 1364 . 1 1 114 114 GLU HB3 H 1 1.906 0.030 . 2 . . . . 114 GLU HB3 . 11108 1 1365 . 1 1 114 114 GLU HG2 H 1 2.313 0.030 . 2 . . . . 114 GLU HG2 . 11108 1 1366 . 1 1 114 114 GLU HG3 H 1 2.190 0.030 . 2 . . . . 114 GLU HG3 . 11108 1 1367 . 1 1 114 114 GLU C C 13 178.343 0.300 . 1 . . . . 114 GLU C . 11108 1 1368 . 1 1 114 114 GLU CA C 13 59.182 0.300 . 1 . . . . 114 GLU CA . 11108 1 1369 . 1 1 114 114 GLU CB C 13 29.394 0.300 . 1 . . . . 114 GLU CB . 11108 1 1370 . 1 1 114 114 GLU CG C 13 36.709 0.300 . 1 . . . . 114 GLU CG . 11108 1 1371 . 1 1 114 114 GLU N N 15 118.080 0.300 . 1 . . . . 114 GLU N . 11108 1 1372 . 1 1 115 115 LEU H H 1 8.197 0.030 . 1 . . . . 115 LEU H . 11108 1 1373 . 1 1 115 115 LEU HA H 1 3.779 0.030 . 1 . . . . 115 LEU HA . 11108 1 1374 . 1 1 115 115 LEU HB2 H 1 1.765 0.030 . 2 . . . . 115 LEU HB2 . 11108 1 1375 . 1 1 115 115 LEU HB3 H 1 0.895 0.030 . 2 . . . . 115 LEU HB3 . 11108 1 1376 . 1 1 115 115 LEU HD11 H 1 0.257 0.030 . 1 . . . . 115 LEU HD1 . 11108 1 1377 . 1 1 115 115 LEU HD12 H 1 0.257 0.030 . 1 . . . . 115 LEU HD1 . 11108 1 1378 . 1 1 115 115 LEU HD13 H 1 0.257 0.030 . 1 . . . . 115 LEU HD1 . 11108 1 1379 . 1 1 115 115 LEU HD21 H 1 0.173 0.030 . 1 . . . . 115 LEU HD2 . 11108 1 1380 . 1 1 115 115 LEU HD22 H 1 0.173 0.030 . 1 . . . . 115 LEU HD2 . 11108 1 1381 . 1 1 115 115 LEU HD23 H 1 0.173 0.030 . 1 . . . . 115 LEU HD2 . 11108 1 1382 . 1 1 115 115 LEU HG H 1 1.149 0.030 . 1 . . . . 115 LEU HG . 11108 1 1383 . 1 1 115 115 LEU C C 13 177.538 0.300 . 1 . . . . 115 LEU C . 11108 1 1384 . 1 1 115 115 LEU CA C 13 58.888 0.300 . 1 . . . . 115 LEU CA . 11108 1 1385 . 1 1 115 115 LEU CB C 13 40.941 0.300 . 1 . . . . 115 LEU CB . 11108 1 1386 . 1 1 115 115 LEU CD1 C 13 22.810 0.300 . 2 . . . . 115 LEU CD1 . 11108 1 1387 . 1 1 115 115 LEU CD2 C 13 25.719 0.300 . 2 . . . . 115 LEU CD2 . 11108 1 1388 . 1 1 115 115 LEU CG C 13 26.692 0.300 . 1 . . . . 115 LEU CG . 11108 1 1389 . 1 1 115 115 LEU N N 15 121.429 0.300 . 1 . . . . 115 LEU N . 11108 1 1390 . 1 1 116 116 THR H H 1 8.045 0.030 . 1 . . . . 116 THR H . 11108 1 1391 . 1 1 116 116 THR HA H 1 3.563 0.030 . 1 . . . . 116 THR HA . 11108 1 1392 . 1 1 116 116 THR HB H 1 4.209 0.030 . 1 . . . . 116 THR HB . 11108 1 1393 . 1 1 116 116 THR HG21 H 1 1.131 0.030 . 1 . . . . 116 THR HG2 . 11108 1 1394 . 1 1 116 116 THR HG22 H 1 1.131 0.030 . 1 . . . . 116 THR HG2 . 11108 1 1395 . 1 1 116 116 THR HG23 H 1 1.131 0.030 . 1 . . . . 116 THR HG2 . 11108 1 1396 . 1 1 116 116 THR C C 13 175.528 0.300 . 1 . . . . 116 THR C . 11108 1 1397 . 1 1 116 116 THR CA C 13 67.621 0.300 . 1 . . . . 116 THR CA . 11108 1 1398 . 1 1 116 116 THR CB C 13 68.629 0.300 . 1 . . . . 116 THR CB . 11108 1 1399 . 1 1 116 116 THR CG2 C 13 20.893 0.300 . 1 . . . . 116 THR CG2 . 11108 1 1400 . 1 1 116 116 THR N N 15 113.952 0.300 . 1 . . . . 116 THR N . 11108 1 1401 . 1 1 117 117 LYS H H 1 7.800 0.030 . 1 . . . . 117 LYS H . 11108 1 1402 . 1 1 117 117 LYS HA H 1 3.950 0.030 . 1 . . . . 117 LYS HA . 11108 1 1403 . 1 1 117 117 LYS HB2 H 1 1.817 0.030 . 2 . . . . 117 LYS HB2 . 11108 1 1404 . 1 1 117 117 LYS HB3 H 1 1.784 0.030 . 2 . . . . 117 LYS HB3 . 11108 1 1405 . 1 1 117 117 LYS HD2 H 1 1.592 0.030 . 2 . . . . 117 LYS HD2 . 11108 1 1406 . 1 1 117 117 LYS HE2 H 1 2.875 0.030 . 1 . . . . 117 LYS HE2 . 11108 1 1407 . 1 1 117 117 LYS HE3 H 1 2.875 0.030 . 1 . . . . 117 LYS HE3 . 11108 1 1408 . 1 1 117 117 LYS HG2 H 1 1.502 0.030 . 2 . . . . 117 LYS HG2 . 11108 1 1409 . 1 1 117 117 LYS HG3 H 1 1.352 0.030 . 2 . . . . 117 LYS HG3 . 11108 1 1410 . 1 1 117 117 LYS C C 13 179.594 0.300 . 1 . . . . 117 LYS C . 11108 1 1411 . 1 1 117 117 LYS CA C 13 59.578 0.300 . 1 . . . . 117 LYS CA . 11108 1 1412 . 1 1 117 117 LYS CB C 13 32.683 0.300 . 1 . . . . 117 LYS CB . 11108 1 1413 . 1 1 117 117 LYS CD C 13 29.360 0.300 . 1 . . . . 117 LYS CD . 11108 1 1414 . 1 1 117 117 LYS CE C 13 41.913 0.300 . 1 . . . . 117 LYS CE . 11108 1 1415 . 1 1 117 117 LYS CG C 13 25.138 0.300 . 1 . . . . 117 LYS CG . 11108 1 1416 . 1 1 117 117 LYS N N 15 120.035 0.300 . 1 . . . . 117 LYS N . 11108 1 1417 . 1 1 118 118 LYS H H 1 8.199 0.030 . 1 . . . . 118 LYS H . 11108 1 1418 . 1 1 118 118 LYS HA H 1 3.714 0.030 . 1 . . . . 118 LYS HA . 11108 1 1419 . 1 1 118 118 LYS HB2 H 1 1.835 0.030 . 2 . . . . 118 LYS HB2 . 11108 1 1420 . 1 1 118 118 LYS HB3 H 1 1.056 0.030 . 2 . . . . 118 LYS HB3 . 11108 1 1421 . 1 1 118 118 LYS HD2 H 1 1.218 0.030 . 2 . . . . 118 LYS HD2 . 11108 1 1422 . 1 1 118 118 LYS HD3 H 1 1.058 0.030 . 2 . . . . 118 LYS HD3 . 11108 1 1423 . 1 1 118 118 LYS HE2 H 1 3.133 0.030 . 2 . . . . 118 LYS HE2 . 11108 1 1424 . 1 1 118 118 LYS HE3 H 1 2.952 0.030 . 2 . . . . 118 LYS HE3 . 11108 1 1425 . 1 1 118 118 LYS HG2 H 1 1.532 0.030 . 2 . . . . 118 LYS HG2 . 11108 1 1426 . 1 1 118 118 LYS HG3 H 1 1.195 0.030 . 2 . . . . 118 LYS HG3 . 11108 1 1427 . 1 1 118 118 LYS C C 13 178.123 0.300 . 1 . . . . 118 LYS C . 11108 1 1428 . 1 1 118 118 LYS CA C 13 60.398 0.300 . 1 . . . . 118 LYS CA . 11108 1 1429 . 1 1 118 118 LYS CB C 13 34.323 0.300 . 1 . . . . 118 LYS CB . 11108 1 1430 . 1 1 118 118 LYS CD C 13 30.097 0.300 . 1 . . . . 118 LYS CD . 11108 1 1431 . 1 1 118 118 LYS CE C 13 41.752 0.300 . 1 . . . . 118 LYS CE . 11108 1 1432 . 1 1 118 118 LYS CG C 13 26.616 0.300 . 1 . . . . 118 LYS CG . 11108 1 1433 . 1 1 118 118 LYS N N 15 119.679 0.300 . 1 . . . . 118 LYS N . 11108 1 1434 . 1 1 119 119 VAL H H 1 8.581 0.030 . 1 . . . . 119 VAL H . 11108 1 1435 . 1 1 119 119 VAL HA H 1 3.561 0.030 . 1 . . . . 119 VAL HA . 11108 1 1436 . 1 1 119 119 VAL HB H 1 2.297 0.030 . 1 . . . . 119 VAL HB . 11108 1 1437 . 1 1 119 119 VAL HG11 H 1 1.074 0.030 . 1 . . . . 119 VAL HG1 . 11108 1 1438 . 1 1 119 119 VAL HG12 H 1 1.074 0.030 . 1 . . . . 119 VAL HG1 . 11108 1 1439 . 1 1 119 119 VAL HG13 H 1 1.074 0.030 . 1 . . . . 119 VAL HG1 . 11108 1 1440 . 1 1 119 119 VAL HG21 H 1 1.301 0.030 . 1 . . . . 119 VAL HG2 . 11108 1 1441 . 1 1 119 119 VAL HG22 H 1 1.301 0.030 . 1 . . . . 119 VAL HG2 . 11108 1 1442 . 1 1 119 119 VAL HG23 H 1 1.301 0.030 . 1 . . . . 119 VAL HG2 . 11108 1 1443 . 1 1 119 119 VAL C C 13 176.981 0.300 . 1 . . . . 119 VAL C . 11108 1 1444 . 1 1 119 119 VAL CA C 13 67.648 0.300 . 1 . . . . 119 VAL CA . 11108 1 1445 . 1 1 119 119 VAL CB C 13 31.409 0.300 . 1 . . . . 119 VAL CB . 11108 1 1446 . 1 1 119 119 VAL CG1 C 13 23.344 0.300 . 2 . . . . 119 VAL CG1 . 11108 1 1447 . 1 1 119 119 VAL CG2 C 13 24.830 0.300 . 2 . . . . 119 VAL CG2 . 11108 1 1448 . 1 1 119 119 VAL N N 15 117.843 0.300 . 1 . . . . 119 VAL N . 11108 1 1449 . 1 1 120 120 GLN H H 1 8.183 0.030 . 1 . . . . 120 GLN H . 11108 1 1450 . 1 1 120 120 GLN HA H 1 3.852 0.030 . 1 . . . . 120 GLN HA . 11108 1 1451 . 1 1 120 120 GLN HB2 H 1 2.106 0.030 . 2 . . . . 120 GLN HB2 . 11108 1 1452 . 1 1 120 120 GLN HB3 H 1 1.982 0.030 . 2 . . . . 120 GLN HB3 . 11108 1 1453 . 1 1 120 120 GLN HE21 H 1 7.360 0.030 . 2 . . . . 120 GLN HE21 . 11108 1 1454 . 1 1 120 120 GLN HE22 H 1 6.658 0.030 . 2 . . . . 120 GLN HE22 . 11108 1 1455 . 1 1 120 120 GLN HG2 H 1 2.568 0.030 . 2 . . . . 120 GLN HG2 . 11108 1 1456 . 1 1 120 120 GLN HG3 H 1 2.360 0.030 . 2 . . . . 120 GLN HG3 . 11108 1 1457 . 1 1 120 120 GLN C C 13 178.995 0.300 . 1 . . . . 120 GLN C . 11108 1 1458 . 1 1 120 120 GLN CA C 13 59.153 0.300 . 1 . . . . 120 GLN CA . 11108 1 1459 . 1 1 120 120 GLN CB C 13 27.785 0.300 . 1 . . . . 120 GLN CB . 11108 1 1460 . 1 1 120 120 GLN CG C 13 33.763 0.300 . 1 . . . . 120 GLN CG . 11108 1 1461 . 1 1 120 120 GLN N N 15 115.456 0.300 . 1 . . . . 120 GLN N . 11108 1 1462 . 1 1 120 120 GLN NE2 N 15 110.596 0.300 . 1 . . . . 120 GLN NE2 . 11108 1 1463 . 1 1 121 121 ARG H H 1 7.917 0.030 . 1 . . . . 121 ARG H . 11108 1 1464 . 1 1 121 121 ARG HA H 1 3.936 0.030 . 1 . . . . 121 ARG HA . 11108 1 1465 . 1 1 121 121 ARG HB2 H 1 1.708 0.030 . 2 . . . . 121 ARG HB2 . 11108 1 1466 . 1 1 121 121 ARG HB3 H 1 1.454 0.030 . 2 . . . . 121 ARG HB3 . 11108 1 1467 . 1 1 121 121 ARG HD2 H 1 2.845 0.030 . 2 . . . . 121 ARG HD2 . 11108 1 1468 . 1 1 121 121 ARG HD3 H 1 2.762 0.030 . 2 . . . . 121 ARG HD3 . 11108 1 1469 . 1 1 121 121 ARG HG2 H 1 1.304 0.030 . 2 . . . . 121 ARG HG2 . 11108 1 1470 . 1 1 121 121 ARG HG3 H 1 1.063 0.030 . 2 . . . . 121 ARG HG3 . 11108 1 1471 . 1 1 121 121 ARG C C 13 178.987 0.300 . 1 . . . . 121 ARG C . 11108 1 1472 . 1 1 121 121 ARG CA C 13 58.874 0.300 . 1 . . . . 121 ARG CA . 11108 1 1473 . 1 1 121 121 ARG CB C 13 29.887 0.300 . 1 . . . . 121 ARG CB . 11108 1 1474 . 1 1 121 121 ARG CD C 13 43.419 0.300 . 1 . . . . 121 ARG CD . 11108 1 1475 . 1 1 121 121 ARG CG C 13 26.643 0.300 . 1 . . . . 121 ARG CG . 11108 1 1476 . 1 1 121 121 ARG N N 15 118.895 0.300 . 1 . . . . 121 ARG N . 11108 1 1477 . 1 1 122 122 HIS H H 1 7.860 0.030 . 1 . . . . 122 HIS H . 11108 1 1478 . 1 1 122 122 HIS HA H 1 4.699 0.030 . 1 . . . . 122 HIS HA . 11108 1 1479 . 1 1 122 122 HIS HB2 H 1 3.022 0.030 . 2 . . . . 122 HIS HB2 . 11108 1 1480 . 1 1 122 122 HIS HB3 H 1 2.891 0.030 . 2 . . . . 122 HIS HB3 . 11108 1 1481 . 1 1 122 122 HIS HD2 H 1 6.202 0.030 . 1 . . . . 122 HIS HD2 . 11108 1 1482 . 1 1 122 122 HIS HE1 H 1 7.546 0.030 . 1 . . . . 122 HIS HE1 . 11108 1 1483 . 1 1 122 122 HIS C C 13 177.125 0.300 . 1 . . . . 122 HIS C . 11108 1 1484 . 1 1 122 122 HIS CA C 13 57.965 0.300 . 1 . . . . 122 HIS CA . 11108 1 1485 . 1 1 122 122 HIS CB C 13 32.957 0.300 . 1 . . . . 122 HIS CB . 11108 1 1486 . 1 1 122 122 HIS CD2 C 13 118.179 0.300 . 1 . . . . 122 HIS CD2 . 11108 1 1487 . 1 1 122 122 HIS CE1 C 13 138.131 0.300 . 1 . . . . 122 HIS CE1 . 11108 1 1488 . 1 1 122 122 HIS N N 15 116.069 0.300 . 1 . . . . 122 HIS N . 11108 1 1489 . 1 1 123 123 ALA H H 1 8.393 0.030 . 1 . . . . 123 ALA H . 11108 1 1490 . 1 1 123 123 ALA HA H 1 4.222 0.030 . 1 . . . . 123 ALA HA . 11108 1 1491 . 1 1 123 123 ALA HB1 H 1 1.410 0.030 . 1 . . . . 123 ALA HB . 11108 1 1492 . 1 1 123 123 ALA HB2 H 1 1.410 0.030 . 1 . . . . 123 ALA HB . 11108 1 1493 . 1 1 123 123 ALA HB3 H 1 1.410 0.030 . 1 . . . . 123 ALA HB . 11108 1 1494 . 1 1 123 123 ALA C C 13 178.129 0.300 . 1 . . . . 123 ALA C . 11108 1 1495 . 1 1 123 123 ALA CA C 13 53.730 0.300 . 1 . . . . 123 ALA CA . 11108 1 1496 . 1 1 123 123 ALA CB C 13 19.257 0.300 . 1 . . . . 123 ALA CB . 11108 1 1497 . 1 1 123 123 ALA N N 15 121.943 0.300 . 1 . . . . 123 ALA N . 11108 1 1498 . 1 1 124 124 SER H H 1 7.551 0.030 . 1 . . . . 124 SER H . 11108 1 1499 . 1 1 124 124 SER HA H 1 4.508 0.030 . 1 . . . . 124 SER HA . 11108 1 1500 . 1 1 124 124 SER HB2 H 1 3.963 0.030 . 1 . . . . 124 SER HB2 . 11108 1 1501 . 1 1 124 124 SER HB3 H 1 3.963 0.030 . 1 . . . . 124 SER HB3 . 11108 1 1502 . 1 1 124 124 SER C C 13 174.353 0.300 . 1 . . . . 124 SER C . 11108 1 1503 . 1 1 124 124 SER CA C 13 58.514 0.300 . 1 . . . . 124 SER CA . 11108 1 1504 . 1 1 124 124 SER CB C 13 64.090 0.300 . 1 . . . . 124 SER CB . 11108 1 1505 . 1 1 124 124 SER N N 15 112.381 0.300 . 1 . . . . 124 SER N . 11108 1 1506 . 1 1 125 125 SER H H 1 8.167 0.030 . 1 . . . . 125 SER H . 11108 1 1507 . 1 1 125 125 SER HA H 1 4.551 0.030 . 1 . . . . 125 SER HA . 11108 1 1508 . 1 1 125 125 SER HB2 H 1 3.927 0.030 . 2 . . . . 125 SER HB2 . 11108 1 1509 . 1 1 125 125 SER C C 13 174.672 0.300 . 1 . . . . 125 SER C . 11108 1 1510 . 1 1 125 125 SER CA C 13 58.464 0.300 . 1 . . . . 125 SER CA . 11108 1 1511 . 1 1 125 125 SER CB C 13 64.262 0.300 . 1 . . . . 125 SER CB . 11108 1 1512 . 1 1 125 125 SER N N 15 117.249 0.300 . 1 . . . . 125 SER N . 11108 1 1513 . 1 1 126 126 GLY H H 1 8.288 0.030 . 1 . . . . 126 GLY H . 11108 1 1514 . 1 1 126 126 GLY HA2 H 1 4.177 0.030 . 2 . . . . 126 GLY HA2 . 11108 1 1515 . 1 1 126 126 GLY HA3 H 1 4.115 0.030 . 2 . . . . 126 GLY HA3 . 11108 1 1516 . 1 1 126 126 GLY C C 13 171.909 0.300 . 1 . . . . 126 GLY C . 11108 1 1517 . 1 1 126 126 GLY CA C 13 44.712 0.300 . 1 . . . . 126 GLY CA . 11108 1 1518 . 1 1 126 126 GLY N N 15 110.572 0.300 . 1 . . . . 126 GLY N . 11108 1 1519 . 1 1 127 127 PRO HA H 1 4.489 0.030 . 1 . . . . 127 PRO HA . 11108 1 1520 . 1 1 127 127 PRO HB2 H 1 2.299 0.030 . 2 . . . . 127 PRO HB2 . 11108 1 1521 . 1 1 127 127 PRO HB3 H 1 1.982 0.030 . 2 . . . . 127 PRO HB3 . 11108 1 1522 . 1 1 127 127 PRO HD2 H 1 3.641 0.030 . 1 . . . . 127 PRO HD2 . 11108 1 1523 . 1 1 127 127 PRO HD3 H 1 3.641 0.030 . 1 . . . . 127 PRO HD3 . 11108 1 1524 . 1 1 127 127 PRO HG2 H 1 2.023 0.030 . 2 . . . . 127 PRO HG2 . 11108 1 1525 . 1 1 127 127 PRO C C 13 177.403 0.300 . 1 . . . . 127 PRO C . 11108 1 1526 . 1 1 127 127 PRO CA C 13 63.299 0.300 . 1 . . . . 127 PRO CA . 11108 1 1527 . 1 1 127 127 PRO CB C 13 32.234 0.300 . 1 . . . . 127 PRO CB . 11108 1 1528 . 1 1 127 127 PRO CD C 13 49.845 0.300 . 1 . . . . 127 PRO CD . 11108 1 1529 . 1 1 127 127 PRO CG C 13 27.154 0.300 . 1 . . . . 127 PRO CG . 11108 1 1530 . 1 1 128 128 SER H H 1 8.541 0.030 . 1 . . . . 128 SER H . 11108 1 1531 . 1 1 128 128 SER HA H 1 4.480 0.030 . 1 . . . . 128 SER HA . 11108 1 1532 . 1 1 128 128 SER HB2 H 1 3.889 0.030 . 2 . . . . 128 SER HB2 . 11108 1 1533 . 1 1 128 128 SER C C 13 174.616 0.300 . 1 . . . . 128 SER C . 11108 1 1534 . 1 1 128 128 SER CA C 13 58.391 0.300 . 1 . . . . 128 SER CA . 11108 1 1535 . 1 1 128 128 SER CB C 13 63.885 0.300 . 1 . . . . 128 SER CB . 11108 1 1536 . 1 1 128 128 SER N N 15 116.410 0.300 . 1 . . . . 128 SER N . 11108 1 1537 . 1 1 129 129 SER H H 1 8.331 0.030 . 1 . . . . 129 SER H . 11108 1 1538 . 1 1 129 129 SER HA H 1 4.480 0.030 . 1 . . . . 129 SER HA . 11108 1 1539 . 1 1 129 129 SER HB2 H 1 3.860 0.030 . 2 . . . . 129 SER HB2 . 11108 1 1540 . 1 1 129 129 SER C C 13 173.936 0.300 . 1 . . . . 129 SER C . 11108 1 1541 . 1 1 129 129 SER CA C 13 58.332 0.300 . 1 . . . . 129 SER CA . 11108 1 1542 . 1 1 129 129 SER CB C 13 64.227 0.300 . 1 . . . . 129 SER CB . 11108 1 1543 . 1 1 129 129 SER N N 15 117.793 0.300 . 1 . . . . 129 SER N . 11108 1 1544 . 1 1 130 130 GLY H H 1 8.067 0.030 . 1 . . . . 130 GLY H . 11108 1 1545 . 1 1 130 130 GLY HA2 H 1 3.795 0.030 . 2 . . . . 130 GLY HA2 . 11108 1 1546 . 1 1 130 130 GLY HA3 H 1 3.741 0.030 . 2 . . . . 130 GLY HA3 . 11108 1 1547 . 1 1 130 130 GLY C C 13 178.969 0.300 . 1 . . . . 130 GLY C . 11108 1 1548 . 1 1 130 130 GLY CA C 13 46.208 0.300 . 1 . . . . 130 GLY CA . 11108 1 1549 . 1 1 130 130 GLY N N 15 116.885 0.300 . 1 . . . . 130 GLY N . 11108 1 stop_ save_