data_11118 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11118 _Entry.Title ; The solution structure of the fifth fibronectin type III domain of human Neogenin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-31 _Entry.Accession_date 2010-03-31 _Entry.Last_release_date 2011-04-01 _Entry.Original_release_date 2011-04-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Tochio . . . 11118 2 A. Sasagawa . . . 11118 3 S. Koshiba . . . 11118 4 M. Inoue . . . 11118 5 T. Kigawa . . . 11118 6 S. Yokoyama . . . 11118 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)' . 11118 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11118 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 471 11118 '15N chemical shifts' 102 11118 '1H chemical shifts' 725 11118 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-04-01 2010-03-31 original author . 11118 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X5J 'BMRB Entry Tracking System' 11118 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11118 _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 fifth fibronectin type III domain of human Neogenin ; _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 . . . 11118 1 2 A. Sasagawa . . . 11118 1 3 S. Koshiba . . . 11118 1 4 M. Inoue . . . 11118 1 5 T. Kigawa . . . 11118 1 6 S. Yokoyama . . . 11118 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11118 _Assembly.ID 1 _Assembly.Name Neogenin _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 'fn3 domain' 1 $entity_1 A . yes native no no . . . 11118 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 1x5j . . . . . . 11118 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11118 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'fn3 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGPMMPPVGVQASIL SHDTIRITWADNSLPKHQKI TDSRYYTVRWKTNIPANTKY KNANATTLSYLVTGLKPNTL YEFSVMVTKGRRSSTWSMTA HGTTFELSGPSSG ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1X5J . "The Solution Structure Of The Fifth Fibronectin Type Iii Domain Of Human Neogenin" . . . . . 100.00 113 100.00 100.00 3.22e-75 . . . . 11118 1 2 no PDB 3P4L . "Crystal Structure Of A Hemojuvelin-binding Fragment Of Neogenin" . . . . . 88.50 211 100.00 100.00 8.13e-65 . . . . 11118 1 3 no PDB 4BQ6 . "Crystal Structure Of The Rgmb-neo1 Complex Form 1" . . . . . 88.50 264 99.00 99.00 1.22e-63 . . . . 11118 1 4 no PDB 4BQ7 . "Crystal Structure Of The Rgmb-neo1 Complex Form 2" . . . . . 88.50 264 99.00 99.00 1.22e-63 . . . . 11118 1 5 no PDB 4BQ8 . "Crystal Structure Of The Rgmb-neo1 Complex Form 3" . . . . . 88.50 213 99.00 99.00 5.85e-64 . . . . 11118 1 6 no PDB 4BQ9 . "Crystal Structure Of The Fn5 And Fn6 Domains Of Neo1, Form 1" . . . . . 88.50 213 99.00 99.00 5.85e-64 . . . . 11118 1 7 no PDB 4BQB . "Crystal Structure Of The Fn5 And Fn6 Domains Of Neo1, Form 2" . . . . . 88.50 264 99.00 99.00 1.22e-63 . . . . 11118 1 8 no PDB 4BQC . "Crystal Structure Of The Fn5 And Fn6 Domains Of Neo1 Bound To Sos" . . . . . 88.50 264 99.00 99.00 1.22e-63 . . . . 11118 1 9 no PDB 4PLN . "Crystal Structure Of Chicken Netrin-1 (ln-le3) Complexed With Mouse Neogenin (fn4-5)" . . . . . 85.84 205 97.94 97.94 1.06e-60 . . . . 11118 1 10 no PDB 4UI2 . "Crystal Structure Of The Ternary Rgmb-bmp2-neo1 Complex" . . . . . 88.50 264 99.00 99.00 1.22e-63 . . . . 11118 1 11 no DBJ BAD92649 . "neogenin homolog 1 variant [Homo sapiens]" . . . . . 88.50 1130 100.00 100.00 3.86e-60 . . . . 11118 1 12 no DBJ BAI46643 . "neogenin homolog 1 [synthetic construct]" . . . . . 88.50 1454 100.00 100.00 6.47e-60 . . . . 11118 1 13 no EMBL CAA70727 . "neogenin protein [Mus musculus]" . . . . . 88.50 1493 99.00 99.00 1.76e-59 . . . . 11118 1 14 no GB AAB17263 . "neogenin [Homo sapiens]" . . . . . 88.50 1461 100.00 100.00 6.87e-60 . . . . 11118 1 15 no GB AAB41100 . "neogenin, partial [Rattus norvegicus]" . . . . . 88.50 1377 99.00 99.00 1.22e-59 . . . . 11118 1 16 no GB AAC51287 . "neogenin [Homo sapiens]" . . . . . 88.50 1461 100.00 100.00 6.60e-60 . . . . 11118 1 17 no GB AAC59662 . "neogenin, partial [Gallus gallus]" . . . . . 88.50 1443 97.00 99.00 1.05e-57 . . . . 11118 1 18 no GB AAH54540 . "Neogenin [Mus musculus]" . . . . . 88.50 1465 99.00 99.00 1.57e-59 . . . . 11118 1 19 no PRF 2103267A . "neogenin [Gallus gallus]" . . . . . 88.50 1443 97.00 99.00 1.05e-57 . . . . 11118 1 20 no REF NP_001036217 . "neogenin isoform 2 precursor [Mus musculus]" . . . . . 88.50 1465 99.00 99.00 1.57e-59 . . . . 11118 1 21 no REF NP_001166094 . "neogenin isoform 2 precursor [Homo sapiens]" . . . . . 88.50 1408 100.00 100.00 5.31e-60 . . . . 11118 1 22 no REF NP_001166095 . "neogenin isoform 3 precursor [Homo sapiens]" . . . . . 88.50 1450 100.00 100.00 6.19e-60 . . . . 11118 1 23 no REF NP_001248429 . "neogenin precursor [Macaca mulatta]" . . . . . 88.50 1450 100.00 100.00 6.96e-60 . . . . 11118 1 24 no REF NP_002490 . "neogenin isoform 1 precursor [Homo sapiens]" . . . . . 88.50 1461 100.00 100.00 6.60e-60 . . . . 11118 1 25 no SP P97603 . "RecName: Full=Neogenin; Flags: Precursor" . . . . . 88.50 1377 99.00 99.00 1.22e-59 . . . . 11118 1 26 no SP P97798 . "RecName: Full=Neogenin; Flags: Precursor" . . . . . 88.50 1493 99.00 99.00 1.76e-59 . . . . 11118 1 27 no SP Q90610 . "RecName: Full=Neogenin" . . . . . 88.50 1443 97.00 99.00 1.05e-57 . . . . 11118 1 28 no SP Q92859 . "RecName: Full=Neogenin; AltName: Full=Immunoglobulin superfamily DCC subclass member 2; Flags: Precursor" . . . . . 88.50 1461 100.00 100.00 6.60e-60 . . . . 11118 1 29 no TPG DAA25834 . "TPA: neogenin-like [Bos taurus]" . . . . . 88.50 1460 100.00 100.00 5.98e-60 . . . . 11118 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'fn3 domain' . 11118 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 . 11118 1 2 . SER . 11118 1 3 . SER . 11118 1 4 . GLY . 11118 1 5 . SER . 11118 1 6 . SER . 11118 1 7 . GLY . 11118 1 8 . PRO . 11118 1 9 . MET . 11118 1 10 . MET . 11118 1 11 . PRO . 11118 1 12 . PRO . 11118 1 13 . VAL . 11118 1 14 . GLY . 11118 1 15 . VAL . 11118 1 16 . GLN . 11118 1 17 . ALA . 11118 1 18 . SER . 11118 1 19 . ILE . 11118 1 20 . LEU . 11118 1 21 . SER . 11118 1 22 . HIS . 11118 1 23 . ASP . 11118 1 24 . THR . 11118 1 25 . ILE . 11118 1 26 . ARG . 11118 1 27 . ILE . 11118 1 28 . THR . 11118 1 29 . TRP . 11118 1 30 . ALA . 11118 1 31 . ASP . 11118 1 32 . ASN . 11118 1 33 . SER . 11118 1 34 . LEU . 11118 1 35 . PRO . 11118 1 36 . LYS . 11118 1 37 . HIS . 11118 1 38 . GLN . 11118 1 39 . LYS . 11118 1 40 . ILE . 11118 1 41 . THR . 11118 1 42 . ASP . 11118 1 43 . SER . 11118 1 44 . ARG . 11118 1 45 . TYR . 11118 1 46 . TYR . 11118 1 47 . THR . 11118 1 48 . VAL . 11118 1 49 . ARG . 11118 1 50 . TRP . 11118 1 51 . LYS . 11118 1 52 . THR . 11118 1 53 . ASN . 11118 1 54 . ILE . 11118 1 55 . PRO . 11118 1 56 . ALA . 11118 1 57 . ASN . 11118 1 58 . THR . 11118 1 59 . LYS . 11118 1 60 . TYR . 11118 1 61 . LYS . 11118 1 62 . ASN . 11118 1 63 . ALA . 11118 1 64 . ASN . 11118 1 65 . ALA . 11118 1 66 . THR . 11118 1 67 . THR . 11118 1 68 . LEU . 11118 1 69 . SER . 11118 1 70 . TYR . 11118 1 71 . LEU . 11118 1 72 . VAL . 11118 1 73 . THR . 11118 1 74 . GLY . 11118 1 75 . LEU . 11118 1 76 . LYS . 11118 1 77 . PRO . 11118 1 78 . ASN . 11118 1 79 . THR . 11118 1 80 . LEU . 11118 1 81 . TYR . 11118 1 82 . GLU . 11118 1 83 . PHE . 11118 1 84 . SER . 11118 1 85 . VAL . 11118 1 86 . MET . 11118 1 87 . VAL . 11118 1 88 . THR . 11118 1 89 . LYS . 11118 1 90 . GLY . 11118 1 91 . ARG . 11118 1 92 . ARG . 11118 1 93 . SER . 11118 1 94 . SER . 11118 1 95 . THR . 11118 1 96 . TRP . 11118 1 97 . SER . 11118 1 98 . MET . 11118 1 99 . THR . 11118 1 100 . ALA . 11118 1 101 . HIS . 11118 1 102 . GLY . 11118 1 103 . THR . 11118 1 104 . THR . 11118 1 105 . PHE . 11118 1 106 . GLU . 11118 1 107 . LEU . 11118 1 108 . SER . 11118 1 109 . GLY . 11118 1 110 . PRO . 11118 1 111 . SER . 11118 1 112 . SER . 11118 1 113 . GLY . 11118 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 11118 1 . SER 2 2 11118 1 . SER 3 3 11118 1 . GLY 4 4 11118 1 . SER 5 5 11118 1 . SER 6 6 11118 1 . GLY 7 7 11118 1 . PRO 8 8 11118 1 . MET 9 9 11118 1 . MET 10 10 11118 1 . PRO 11 11 11118 1 . PRO 12 12 11118 1 . VAL 13 13 11118 1 . GLY 14 14 11118 1 . VAL 15 15 11118 1 . GLN 16 16 11118 1 . ALA 17 17 11118 1 . SER 18 18 11118 1 . ILE 19 19 11118 1 . LEU 20 20 11118 1 . SER 21 21 11118 1 . HIS 22 22 11118 1 . ASP 23 23 11118 1 . THR 24 24 11118 1 . ILE 25 25 11118 1 . ARG 26 26 11118 1 . ILE 27 27 11118 1 . THR 28 28 11118 1 . TRP 29 29 11118 1 . ALA 30 30 11118 1 . ASP 31 31 11118 1 . ASN 32 32 11118 1 . SER 33 33 11118 1 . LEU 34 34 11118 1 . PRO 35 35 11118 1 . LYS 36 36 11118 1 . HIS 37 37 11118 1 . GLN 38 38 11118 1 . LYS 39 39 11118 1 . ILE 40 40 11118 1 . THR 41 41 11118 1 . ASP 42 42 11118 1 . SER 43 43 11118 1 . ARG 44 44 11118 1 . TYR 45 45 11118 1 . TYR 46 46 11118 1 . THR 47 47 11118 1 . VAL 48 48 11118 1 . ARG 49 49 11118 1 . TRP 50 50 11118 1 . LYS 51 51 11118 1 . THR 52 52 11118 1 . ASN 53 53 11118 1 . ILE 54 54 11118 1 . PRO 55 55 11118 1 . ALA 56 56 11118 1 . ASN 57 57 11118 1 . THR 58 58 11118 1 . LYS 59 59 11118 1 . TYR 60 60 11118 1 . LYS 61 61 11118 1 . ASN 62 62 11118 1 . ALA 63 63 11118 1 . ASN 64 64 11118 1 . ALA 65 65 11118 1 . THR 66 66 11118 1 . THR 67 67 11118 1 . LEU 68 68 11118 1 . SER 69 69 11118 1 . TYR 70 70 11118 1 . LEU 71 71 11118 1 . VAL 72 72 11118 1 . THR 73 73 11118 1 . GLY 74 74 11118 1 . LEU 75 75 11118 1 . LYS 76 76 11118 1 . PRO 77 77 11118 1 . ASN 78 78 11118 1 . THR 79 79 11118 1 . LEU 80 80 11118 1 . TYR 81 81 11118 1 . GLU 82 82 11118 1 . PHE 83 83 11118 1 . SER 84 84 11118 1 . VAL 85 85 11118 1 . MET 86 86 11118 1 . VAL 87 87 11118 1 . THR 88 88 11118 1 . LYS 89 89 11118 1 . GLY 90 90 11118 1 . ARG 91 91 11118 1 . ARG 92 92 11118 1 . SER 93 93 11118 1 . SER 94 94 11118 1 . THR 95 95 11118 1 . TRP 96 96 11118 1 . SER 97 97 11118 1 . MET 98 98 11118 1 . THR 99 99 11118 1 . ALA 100 100 11118 1 . HIS 101 101 11118 1 . GLY 102 102 11118 1 . THR 103 103 11118 1 . THR 104 104 11118 1 . PHE 105 105 11118 1 . GLU 106 106 11118 1 . LEU 107 107 11118 1 . SER 108 108 11118 1 . GLY 109 109 11118 1 . PRO 110 110 11118 1 . SER 111 111 11118 1 . SER 112 112 11118 1 . GLY 113 113 11118 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 11118 _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 . . . . . . . . . . . . . . . . . . . . . 11118 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 11118 _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 . . . . . . . . . . . . . . . . P041213-06 . . . . . . 11118 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11118 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.3mM FN3 domain {U-15N,13C;} 20mM {d-Tris HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'FN3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.3 . . mM . . . . 11118 1 2 'd-Tris HCl' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11118 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11118 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11118 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11118 1 6 H2O . . . . . . solvent 90 . . % . . . . 11118 1 7 D2O . . . . . . solvent 10 . . % . . . . 11118 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 11118 _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 11118 1 pH 7.0 0.05 pH 11118 1 pressure 1 0.001 atm 11118 1 temperature 296 0.1 K 11118 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11118 _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 . . 11118 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11118 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11118 _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.' . . 11118 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11118 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11118 _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.' . . 11118 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11118 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11118 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11118 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11118 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11118 _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.' . . 11118 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11118 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 11118 _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 11118 _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 . . . 11118 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 11118 _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 . . . . . . . . . . . . . . . . 11118 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11118 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 11118 _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 . . . . . . . . . 11118 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11118 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11118 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 11118 _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 11118 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11118 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 . . 11118 1 2 $NMRPipe . . 11118 1 3 $NMRView . . 11118 1 4 $KUJIRA . . 11118 1 5 $CYANA . . 11118 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 PRO HA H 1 4.557 0.030 . 1 . . . . 8 PRO HA . 11118 1 2 . 1 1 8 8 PRO HB2 H 1 2.334 0.030 . 2 . . . . 8 PRO HB2 . 11118 1 3 . 1 1 8 8 PRO HB3 H 1 1.866 0.030 . 2 . . . . 8 PRO HB3 . 11118 1 4 . 1 1 8 8 PRO HD2 H 1 3.609 0.030 . 2 . . . . 8 PRO HD2 . 11118 1 5 . 1 1 8 8 PRO HG2 H 1 1.979 0.030 . 2 . . . . 8 PRO HG2 . 11118 1 6 . 1 1 8 8 PRO C C 13 177.721 0.300 . 1 . . . . 8 PRO C . 11118 1 7 . 1 1 8 8 PRO CA C 13 63.017 0.300 . 1 . . . . 8 PRO CA . 11118 1 8 . 1 1 8 8 PRO CB C 13 32.446 0.300 . 1 . . . . 8 PRO CB . 11118 1 9 . 1 1 8 8 PRO CD C 13 49.809 0.300 . 1 . . . . 8 PRO CD . 11118 1 10 . 1 1 8 8 PRO CG C 13 27.231 0.300 . 1 . . . . 8 PRO CG . 11118 1 11 . 1 1 9 9 MET H H 1 7.762 0.030 . 1 . . . . 9 MET H . 11118 1 12 . 1 1 9 9 MET HA H 1 4.319 0.030 . 1 . . . . 9 MET HA . 11118 1 13 . 1 1 9 9 MET HB2 H 1 1.904 0.030 . 2 . . . . 9 MET HB2 . 11118 1 14 . 1 1 9 9 MET HB3 H 1 1.238 0.030 . 2 . . . . 9 MET HB3 . 11118 1 15 . 1 1 9 9 MET HE1 H 1 1.806 0.030 . 1 . . . . 9 MET HE . 11118 1 16 . 1 1 9 9 MET HE2 H 1 1.806 0.030 . 1 . . . . 9 MET HE . 11118 1 17 . 1 1 9 9 MET HE3 H 1 1.806 0.030 . 1 . . . . 9 MET HE . 11118 1 18 . 1 1 9 9 MET HG2 H 1 2.247 0.030 . 2 . . . . 9 MET HG2 . 11118 1 19 . 1 1 9 9 MET HG3 H 1 2.155 0.030 . 2 . . . . 9 MET HG3 . 11118 1 20 . 1 1 9 9 MET C C 13 175.257 0.300 . 1 . . . . 9 MET C . 11118 1 21 . 1 1 9 9 MET CA C 13 54.731 0.300 . 1 . . . . 9 MET CA . 11118 1 22 . 1 1 9 9 MET CB C 13 34.187 0.300 . 1 . . . . 9 MET CB . 11118 1 23 . 1 1 9 9 MET CE C 13 17.106 0.300 . 1 . . . . 9 MET CE . 11118 1 24 . 1 1 9 9 MET CG C 13 32.378 0.300 . 1 . . . . 9 MET CG . 11118 1 25 . 1 1 9 9 MET N N 15 120.023 0.300 . 1 . . . . 9 MET N . 11118 1 26 . 1 1 10 10 MET H H 1 8.542 0.030 . 1 . . . . 10 MET H . 11118 1 27 . 1 1 10 10 MET HA H 1 4.660 0.030 . 1 . . . . 10 MET HA . 11118 1 28 . 1 1 10 10 MET HB2 H 1 2.167 0.030 . 2 . . . . 10 MET HB2 . 11118 1 29 . 1 1 10 10 MET HB3 H 1 1.958 0.030 . 2 . . . . 10 MET HB3 . 11118 1 30 . 1 1 10 10 MET HE1 H 1 2.243 0.030 . 1 . . . . 10 MET HE . 11118 1 31 . 1 1 10 10 MET HE2 H 1 2.243 0.030 . 1 . . . . 10 MET HE . 11118 1 32 . 1 1 10 10 MET HE3 H 1 2.243 0.030 . 1 . . . . 10 MET HE . 11118 1 33 . 1 1 10 10 MET HG2 H 1 2.710 0.030 . 2 . . . . 10 MET HG2 . 11118 1 34 . 1 1 10 10 MET HG3 H 1 2.581 0.030 . 2 . . . . 10 MET HG3 . 11118 1 35 . 1 1 10 10 MET C C 13 174.249 0.300 . 1 . . . . 10 MET C . 11118 1 36 . 1 1 10 10 MET CA C 13 53.407 0.300 . 1 . . . . 10 MET CA . 11118 1 37 . 1 1 10 10 MET CB C 13 31.999 0.300 . 1 . . . . 10 MET CB . 11118 1 38 . 1 1 10 10 MET CE C 13 17.274 0.300 . 1 . . . . 10 MET CE . 11118 1 39 . 1 1 10 10 MET CG C 13 32.082 0.300 . 1 . . . . 10 MET CG . 11118 1 40 . 1 1 10 10 MET N N 15 123.369 0.300 . 1 . . . . 10 MET N . 11118 1 41 . 1 1 11 11 PRO HA H 1 4.780 0.030 . 1 . . . . 11 PRO HA . 11118 1 42 . 1 1 11 11 PRO HB2 H 1 2.211 0.030 . 2 . . . . 11 PRO HB2 . 11118 1 43 . 1 1 11 11 PRO HB3 H 1 1.711 0.030 . 2 . . . . 11 PRO HB3 . 11118 1 44 . 1 1 11 11 PRO HD2 H 1 3.880 0.030 . 2 . . . . 11 PRO HD2 . 11118 1 45 . 1 1 11 11 PRO HD3 H 1 3.774 0.030 . 2 . . . . 11 PRO HD3 . 11118 1 46 . 1 1 11 11 PRO HG2 H 1 1.936 0.030 . 1 . . . . 11 PRO HG2 . 11118 1 47 . 1 1 11 11 PRO HG3 H 1 1.936 0.030 . 1 . . . . 11 PRO HG3 . 11118 1 48 . 1 1 11 11 PRO CA C 13 61.204 0.300 . 1 . . . . 11 PRO CA . 11118 1 49 . 1 1 11 11 PRO CB C 13 30.053 0.300 . 1 . . . . 11 PRO CB . 11118 1 50 . 1 1 11 11 PRO CD C 13 50.312 0.300 . 1 . . . . 11 PRO CD . 11118 1 51 . 1 1 11 11 PRO CG C 13 27.426 0.300 . 1 . . . . 11 PRO CG . 11118 1 52 . 1 1 12 12 PRO HA H 1 4.801 0.030 . 1 . . . . 12 PRO HA . 11118 1 53 . 1 1 12 12 PRO HB2 H 1 2.421 0.030 . 2 . . . . 12 PRO HB2 . 11118 1 54 . 1 1 12 12 PRO HB3 H 1 1.340 0.030 . 2 . . . . 12 PRO HB3 . 11118 1 55 . 1 1 12 12 PRO HD2 H 1 3.486 0.030 . 2 . . . . 12 PRO HD2 . 11118 1 56 . 1 1 12 12 PRO HD3 H 1 3.863 0.030 . 2 . . . . 12 PRO HD3 . 11118 1 57 . 1 1 12 12 PRO HG2 H 1 1.360 0.030 . 2 . . . . 12 PRO HG2 . 11118 1 58 . 1 1 12 12 PRO HG3 H 1 1.617 0.030 . 2 . . . . 12 PRO HG3 . 11118 1 59 . 1 1 12 12 PRO C C 13 173.740 0.300 . 1 . . . . 12 PRO C . 11118 1 60 . 1 1 12 12 PRO CA C 13 63.123 0.300 . 1 . . . . 12 PRO CA . 11118 1 61 . 1 1 12 12 PRO CB C 13 33.107 0.300 . 1 . . . . 12 PRO CB . 11118 1 62 . 1 1 12 12 PRO CD C 13 50.587 0.300 . 1 . . . . 12 PRO CD . 11118 1 63 . 1 1 12 12 PRO CG C 13 27.923 0.300 . 1 . . . . 12 PRO CG . 11118 1 64 . 1 1 13 13 VAL H H 1 8.283 0.030 . 1 . . . . 13 VAL H . 11118 1 65 . 1 1 13 13 VAL HA H 1 4.809 0.030 . 1 . . . . 13 VAL HA . 11118 1 66 . 1 1 13 13 VAL HB H 1 2.295 0.030 . 1 . . . . 13 VAL HB . 11118 1 67 . 1 1 13 13 VAL HG11 H 1 0.986 0.030 . 1 . . . . 13 VAL HG1 . 11118 1 68 . 1 1 13 13 VAL HG12 H 1 0.986 0.030 . 1 . . . . 13 VAL HG1 . 11118 1 69 . 1 1 13 13 VAL HG13 H 1 0.986 0.030 . 1 . . . . 13 VAL HG1 . 11118 1 70 . 1 1 13 13 VAL HG21 H 1 0.746 0.030 . 1 . . . . 13 VAL HG2 . 11118 1 71 . 1 1 13 13 VAL HG22 H 1 0.746 0.030 . 1 . . . . 13 VAL HG2 . 11118 1 72 . 1 1 13 13 VAL HG23 H 1 0.746 0.030 . 1 . . . . 13 VAL HG2 . 11118 1 73 . 1 1 13 13 VAL C C 13 175.564 0.300 . 1 . . . . 13 VAL C . 11118 1 74 . 1 1 13 13 VAL CA C 13 58.882 0.300 . 1 . . . . 13 VAL CA . 11118 1 75 . 1 1 13 13 VAL CB C 13 35.837 0.300 . 1 . . . . 13 VAL CB . 11118 1 76 . 1 1 13 13 VAL CG1 C 13 21.780 0.300 . 2 . . . . 13 VAL CG1 . 11118 1 77 . 1 1 13 13 VAL CG2 C 13 18.488 0.300 . 2 . . . . 13 VAL CG2 . 11118 1 78 . 1 1 13 13 VAL N N 15 111.335 0.300 . 1 . . . . 13 VAL N . 11118 1 79 . 1 1 14 14 GLY H H 1 8.539 0.030 . 1 . . . . 14 GLY H . 11118 1 80 . 1 1 14 14 GLY HA2 H 1 3.834 0.030 . 2 . . . . 14 GLY HA2 . 11118 1 81 . 1 1 14 14 GLY HA3 H 1 3.722 0.030 . 2 . . . . 14 GLY HA3 . 11118 1 82 . 1 1 14 14 GLY C C 13 175.140 0.300 . 1 . . . . 14 GLY C . 11118 1 83 . 1 1 14 14 GLY CA C 13 47.513 0.300 . 1 . . . . 14 GLY CA . 11118 1 84 . 1 1 14 14 GLY N N 15 107.894 0.300 . 1 . . . . 14 GLY N . 11118 1 85 . 1 1 15 15 VAL H H 1 7.767 0.030 . 1 . . . . 15 VAL H . 11118 1 86 . 1 1 15 15 VAL HA H 1 4.671 0.030 . 1 . . . . 15 VAL HA . 11118 1 87 . 1 1 15 15 VAL HB H 1 1.967 0.030 . 1 . . . . 15 VAL HB . 11118 1 88 . 1 1 15 15 VAL HG11 H 1 0.867 0.030 . 1 . . . . 15 VAL HG1 . 11118 1 89 . 1 1 15 15 VAL HG12 H 1 0.867 0.030 . 1 . . . . 15 VAL HG1 . 11118 1 90 . 1 1 15 15 VAL HG13 H 1 0.867 0.030 . 1 . . . . 15 VAL HG1 . 11118 1 91 . 1 1 15 15 VAL HG21 H 1 1.016 0.030 . 1 . . . . 15 VAL HG2 . 11118 1 92 . 1 1 15 15 VAL HG22 H 1 1.016 0.030 . 1 . . . . 15 VAL HG2 . 11118 1 93 . 1 1 15 15 VAL HG23 H 1 1.016 0.030 . 1 . . . . 15 VAL HG2 . 11118 1 94 . 1 1 15 15 VAL C C 13 176.617 0.300 . 1 . . . . 15 VAL C . 11118 1 95 . 1 1 15 15 VAL CA C 13 63.041 0.300 . 1 . . . . 15 VAL CA . 11118 1 96 . 1 1 15 15 VAL CB C 13 31.061 0.300 . 1 . . . . 15 VAL CB . 11118 1 97 . 1 1 15 15 VAL CG1 C 13 21.968 0.300 . 2 . . . . 15 VAL CG1 . 11118 1 98 . 1 1 15 15 VAL CG2 C 13 21.012 0.300 . 2 . . . . 15 VAL CG2 . 11118 1 99 . 1 1 15 15 VAL N N 15 119.165 0.300 . 1 . . . . 15 VAL N . 11118 1 100 . 1 1 16 16 GLN H H 1 9.034 0.030 . 1 . . . . 16 GLN H . 11118 1 101 . 1 1 16 16 GLN HA H 1 4.623 0.030 . 1 . . . . 16 GLN HA . 11118 1 102 . 1 1 16 16 GLN HB2 H 1 1.943 0.030 . 2 . . . . 16 GLN HB2 . 11118 1 103 . 1 1 16 16 GLN HB3 H 1 1.789 0.030 . 2 . . . . 16 GLN HB3 . 11118 1 104 . 1 1 16 16 GLN HE21 H 1 7.369 0.030 . 2 . . . . 16 GLN HE21 . 11118 1 105 . 1 1 16 16 GLN HE22 H 1 6.786 0.030 . 2 . . . . 16 GLN HE22 . 11118 1 106 . 1 1 16 16 GLN HG2 H 1 2.260 0.030 . 2 . . . . 16 GLN HG2 . 11118 1 107 . 1 1 16 16 GLN HG3 H 1 2.199 0.030 . 2 . . . . 16 GLN HG3 . 11118 1 108 . 1 1 16 16 GLN C C 13 173.036 0.300 . 1 . . . . 16 GLN C . 11118 1 109 . 1 1 16 16 GLN CA C 13 54.619 0.300 . 1 . . . . 16 GLN CA . 11118 1 110 . 1 1 16 16 GLN CB C 13 33.221 0.300 . 1 . . . . 16 GLN CB . 11118 1 111 . 1 1 16 16 GLN CG C 13 33.911 0.300 . 1 . . . . 16 GLN CG . 11118 1 112 . 1 1 16 16 GLN N N 15 126.706 0.300 . 1 . . . . 16 GLN N . 11118 1 113 . 1 1 16 16 GLN NE2 N 15 111.888 0.300 . 1 . . . . 16 GLN NE2 . 11118 1 114 . 1 1 17 17 ALA H H 1 8.794 0.030 . 1 . . . . 17 ALA H . 11118 1 115 . 1 1 17 17 ALA HA H 1 4.801 0.030 . 1 . . . . 17 ALA HA . 11118 1 116 . 1 1 17 17 ALA HB1 H 1 0.843 0.030 . 1 . . . . 17 ALA HB . 11118 1 117 . 1 1 17 17 ALA HB2 H 1 0.843 0.030 . 1 . . . . 17 ALA HB . 11118 1 118 . 1 1 17 17 ALA HB3 H 1 0.843 0.030 . 1 . . . . 17 ALA HB . 11118 1 119 . 1 1 17 17 ALA C C 13 176.110 0.300 . 1 . . . . 17 ALA C . 11118 1 120 . 1 1 17 17 ALA CA C 13 50.100 0.300 . 1 . . . . 17 ALA CA . 11118 1 121 . 1 1 17 17 ALA CB C 13 20.588 0.300 . 1 . . . . 17 ALA CB . 11118 1 122 . 1 1 17 17 ALA N N 15 124.945 0.300 . 1 . . . . 17 ALA N . 11118 1 123 . 1 1 18 18 SER H H 1 8.973 0.030 . 1 . . . . 18 SER H . 11118 1 124 . 1 1 18 18 SER HA H 1 4.742 0.030 . 1 . . . . 18 SER HA . 11118 1 125 . 1 1 18 18 SER HB2 H 1 3.695 0.030 . 2 . . . . 18 SER HB2 . 11118 1 126 . 1 1 18 18 SER HB3 H 1 3.614 0.030 . 2 . . . . 18 SER HB3 . 11118 1 127 . 1 1 18 18 SER C C 13 172.742 0.300 . 1 . . . . 18 SER C . 11118 1 128 . 1 1 18 18 SER CA C 13 56.734 0.300 . 1 . . . . 18 SER CA . 11118 1 129 . 1 1 18 18 SER CB C 13 63.874 0.300 . 1 . . . . 18 SER CB . 11118 1 130 . 1 1 18 18 SER N N 15 119.576 0.300 . 1 . . . . 18 SER N . 11118 1 131 . 1 1 19 19 ILE H H 1 8.916 0.030 . 1 . . . . 19 ILE H . 11118 1 132 . 1 1 19 19 ILE HA H 1 3.670 0.030 . 1 . . . . 19 ILE HA . 11118 1 133 . 1 1 19 19 ILE HB H 1 1.855 0.030 . 1 . . . . 19 ILE HB . 11118 1 134 . 1 1 19 19 ILE HD11 H 1 0.544 0.030 . 1 . . . . 19 ILE HD1 . 11118 1 135 . 1 1 19 19 ILE HD12 H 1 0.544 0.030 . 1 . . . . 19 ILE HD1 . 11118 1 136 . 1 1 19 19 ILE HD13 H 1 0.544 0.030 . 1 . . . . 19 ILE HD1 . 11118 1 137 . 1 1 19 19 ILE HG12 H 1 1.375 0.030 . 2 . . . . 19 ILE HG12 . 11118 1 138 . 1 1 19 19 ILE HG13 H 1 1.616 0.030 . 2 . . . . 19 ILE HG13 . 11118 1 139 . 1 1 19 19 ILE HG21 H 1 0.216 0.030 . 1 . . . . 19 ILE HG2 . 11118 1 140 . 1 1 19 19 ILE HG22 H 1 0.216 0.030 . 1 . . . . 19 ILE HG2 . 11118 1 141 . 1 1 19 19 ILE HG23 H 1 0.216 0.030 . 1 . . . . 19 ILE HG2 . 11118 1 142 . 1 1 19 19 ILE C C 13 175.551 0.300 . 1 . . . . 19 ILE C . 11118 1 143 . 1 1 19 19 ILE CA C 13 61.496 0.300 . 1 . . . . 19 ILE CA . 11118 1 144 . 1 1 19 19 ILE CB C 13 35.510 0.300 . 1 . . . . 19 ILE CB . 11118 1 145 . 1 1 19 19 ILE CD1 C 13 11.713 0.300 . 1 . . . . 19 ILE CD1 . 11118 1 146 . 1 1 19 19 ILE CG1 C 13 26.460 0.300 . 1 . . . . 19 ILE CG1 . 11118 1 147 . 1 1 19 19 ILE CG2 C 13 18.963 0.300 . 1 . . . . 19 ILE CG2 . 11118 1 148 . 1 1 19 19 ILE N N 15 127.305 0.300 . 1 . . . . 19 ILE N . 11118 1 149 . 1 1 20 20 LEU H H 1 7.612 0.030 . 1 . . . . 20 LEU H . 11118 1 150 . 1 1 20 20 LEU HA H 1 4.541 0.030 . 1 . . . . 20 LEU HA . 11118 1 151 . 1 1 20 20 LEU HB2 H 1 1.445 0.030 . 2 . . . . 20 LEU HB2 . 11118 1 152 . 1 1 20 20 LEU HB3 H 1 1.253 0.030 . 2 . . . . 20 LEU HB3 . 11118 1 153 . 1 1 20 20 LEU HD11 H 1 0.670 0.030 . 1 . . . . 20 LEU HD1 . 11118 1 154 . 1 1 20 20 LEU HD12 H 1 0.670 0.030 . 1 . . . . 20 LEU HD1 . 11118 1 155 . 1 1 20 20 LEU HD13 H 1 0.670 0.030 . 1 . . . . 20 LEU HD1 . 11118 1 156 . 1 1 20 20 LEU HD21 H 1 0.659 0.030 . 1 . . . . 20 LEU HD2 . 11118 1 157 . 1 1 20 20 LEU HD22 H 1 0.659 0.030 . 1 . . . . 20 LEU HD2 . 11118 1 158 . 1 1 20 20 LEU HD23 H 1 0.659 0.030 . 1 . . . . 20 LEU HD2 . 11118 1 159 . 1 1 20 20 LEU HG H 1 1.459 0.030 . 1 . . . . 20 LEU HG . 11118 1 160 . 1 1 20 20 LEU C C 13 177.124 0.300 . 1 . . . . 20 LEU C . 11118 1 161 . 1 1 20 20 LEU CA C 13 55.520 0.300 . 1 . . . . 20 LEU CA . 11118 1 162 . 1 1 20 20 LEU CB C 13 42.929 0.300 . 1 . . . . 20 LEU CB . 11118 1 163 . 1 1 20 20 LEU CD1 C 13 25.996 0.300 . 2 . . . . 20 LEU CD1 . 11118 1 164 . 1 1 20 20 LEU CD2 C 13 23.086 0.300 . 2 . . . . 20 LEU CD2 . 11118 1 165 . 1 1 20 20 LEU CG C 13 27.749 0.300 . 1 . . . . 20 LEU CG . 11118 1 166 . 1 1 20 20 LEU N N 15 125.604 0.300 . 1 . . . . 20 LEU N . 11118 1 167 . 1 1 21 21 SER H H 1 7.755 0.030 . 1 . . . . 21 SER H . 11118 1 168 . 1 1 21 21 SER HA H 1 4.908 0.030 . 1 . . . . 21 SER HA . 11118 1 169 . 1 1 21 21 SER HB2 H 1 4.096 0.030 . 2 . . . . 21 SER HB2 . 11118 1 170 . 1 1 21 21 SER HB3 H 1 3.929 0.030 . 2 . . . . 21 SER HB3 . 11118 1 171 . 1 1 21 21 SER C C 13 172.826 0.300 . 1 . . . . 21 SER C . 11118 1 172 . 1 1 21 21 SER CA C 13 57.210 0.300 . 1 . . . . 21 SER CA . 11118 1 173 . 1 1 21 21 SER CB C 13 64.245 0.300 . 1 . . . . 21 SER CB . 11118 1 174 . 1 1 21 21 SER N N 15 112.142 0.300 . 1 . . . . 21 SER N . 11118 1 175 . 1 1 22 22 HIS H H 1 8.300 0.030 . 1 . . . . 22 HIS H . 11118 1 176 . 1 1 22 22 HIS HA H 1 4.907 0.030 . 1 . . . . 22 HIS HA . 11118 1 177 . 1 1 22 22 HIS HB2 H 1 3.076 0.030 . 2 . . . . 22 HIS HB2 . 11118 1 178 . 1 1 22 22 HIS HB3 H 1 2.745 0.030 . 2 . . . . 22 HIS HB3 . 11118 1 179 . 1 1 22 22 HIS HD2 H 1 7.012 0.030 . 1 . . . . 22 HIS HD2 . 11118 1 180 . 1 1 22 22 HIS HE1 H 1 7.739 0.030 . 1 . . . . 22 HIS HE1 . 11118 1 181 . 1 1 22 22 HIS C C 13 173.454 0.300 . 1 . . . . 22 HIS C . 11118 1 182 . 1 1 22 22 HIS CA C 13 57.047 0.300 . 1 . . . . 22 HIS CA . 11118 1 183 . 1 1 22 22 HIS CB C 13 30.958 0.300 . 1 . . . . 22 HIS CB . 11118 1 184 . 1 1 22 22 HIS CD2 C 13 118.418 0.300 . 1 . . . . 22 HIS CD2 . 11118 1 185 . 1 1 22 22 HIS CE1 C 13 139.632 0.300 . 1 . . . . 22 HIS CE1 . 11118 1 186 . 1 1 22 22 HIS N N 15 115.231 0.300 . 1 . . . . 22 HIS N . 11118 1 187 . 1 1 23 23 ASP H H 1 7.347 0.030 . 1 . . . . 23 ASP H . 11118 1 188 . 1 1 23 23 ASP HA H 1 4.569 0.030 . 1 . . . . 23 ASP HA . 11118 1 189 . 1 1 23 23 ASP HB2 H 1 2.962 0.030 . 2 . . . . 23 ASP HB2 . 11118 1 190 . 1 1 23 23 ASP HB3 H 1 2.265 0.030 . 2 . . . . 23 ASP HB3 . 11118 1 191 . 1 1 23 23 ASP C C 13 176.386 0.300 . 1 . . . . 23 ASP C . 11118 1 192 . 1 1 23 23 ASP CA C 13 51.965 0.300 . 1 . . . . 23 ASP CA . 11118 1 193 . 1 1 23 23 ASP CB C 13 43.443 0.300 . 1 . . . . 23 ASP CB . 11118 1 194 . 1 1 23 23 ASP N N 15 112.745 0.300 . 1 . . . . 23 ASP N . 11118 1 195 . 1 1 24 24 THR H H 1 6.658 0.030 . 1 . . . . 24 THR H . 11118 1 196 . 1 1 24 24 THR HA H 1 5.332 0.030 . 1 . . . . 24 THR HA . 11118 1 197 . 1 1 24 24 THR HB H 1 3.686 0.030 . 1 . . . . 24 THR HB . 11118 1 198 . 1 1 24 24 THR HG21 H 1 0.826 0.030 . 1 . . . . 24 THR HG2 . 11118 1 199 . 1 1 24 24 THR HG22 H 1 0.826 0.030 . 1 . . . . 24 THR HG2 . 11118 1 200 . 1 1 24 24 THR HG23 H 1 0.826 0.030 . 1 . . . . 24 THR HG2 . 11118 1 201 . 1 1 24 24 THR C C 13 172.614 0.300 . 1 . . . . 24 THR C . 11118 1 202 . 1 1 24 24 THR CA C 13 61.731 0.300 . 1 . . . . 24 THR CA . 11118 1 203 . 1 1 24 24 THR CB C 13 72.621 0.300 . 1 . . . . 24 THR CB . 11118 1 204 . 1 1 24 24 THR CG2 C 13 21.623 0.300 . 1 . . . . 24 THR CG2 . 11118 1 205 . 1 1 24 24 THR N N 15 113.532 0.300 . 1 . . . . 24 THR N . 11118 1 206 . 1 1 25 25 ILE H H 1 8.539 0.030 . 1 . . . . 25 ILE H . 11118 1 207 . 1 1 25 25 ILE HA H 1 4.206 0.030 . 1 . . . . 25 ILE HA . 11118 1 208 . 1 1 25 25 ILE HB H 1 0.980 0.030 . 1 . . . . 25 ILE HB . 11118 1 209 . 1 1 25 25 ILE HD11 H 1 0.670 0.030 . 1 . . . . 25 ILE HD1 . 11118 1 210 . 1 1 25 25 ILE HD12 H 1 0.670 0.030 . 1 . . . . 25 ILE HD1 . 11118 1 211 . 1 1 25 25 ILE HD13 H 1 0.670 0.030 . 1 . . . . 25 ILE HD1 . 11118 1 212 . 1 1 25 25 ILE HG12 H 1 0.802 0.030 . 2 . . . . 25 ILE HG12 . 11118 1 213 . 1 1 25 25 ILE HG13 H 1 1.327 0.030 . 2 . . . . 25 ILE HG13 . 11118 1 214 . 1 1 25 25 ILE HG21 H 1 0.204 0.030 . 1 . . . . 25 ILE HG2 . 11118 1 215 . 1 1 25 25 ILE HG22 H 1 0.204 0.030 . 1 . . . . 25 ILE HG2 . 11118 1 216 . 1 1 25 25 ILE HG23 H 1 0.204 0.030 . 1 . . . . 25 ILE HG2 . 11118 1 217 . 1 1 25 25 ILE C C 13 172.800 0.300 . 1 . . . . 25 ILE C . 11118 1 218 . 1 1 25 25 ILE CA C 13 60.416 0.300 . 1 . . . . 25 ILE CA . 11118 1 219 . 1 1 25 25 ILE CB C 13 42.948 0.300 . 1 . . . . 25 ILE CB . 11118 1 220 . 1 1 25 25 ILE CD1 C 13 13.965 0.300 . 1 . . . . 25 ILE CD1 . 11118 1 221 . 1 1 25 25 ILE CG1 C 13 28.809 0.300 . 1 . . . . 25 ILE CG1 . 11118 1 222 . 1 1 25 25 ILE CG2 C 13 17.892 0.300 . 1 . . . . 25 ILE CG2 . 11118 1 223 . 1 1 25 25 ILE N N 15 126.033 0.300 . 1 . . . . 25 ILE N . 11118 1 224 . 1 1 26 26 ARG H H 1 8.933 0.030 . 1 . . . . 26 ARG H . 11118 1 225 . 1 1 26 26 ARG HA H 1 4.730 0.030 . 1 . . . . 26 ARG HA . 11118 1 226 . 1 1 26 26 ARG HB2 H 1 1.631 0.030 . 2 . . . . 26 ARG HB2 . 11118 1 227 . 1 1 26 26 ARG HB3 H 1 1.389 0.030 . 2 . . . . 26 ARG HB3 . 11118 1 228 . 1 1 26 26 ARG HD2 H 1 3.042 0.030 . 2 . . . . 26 ARG HD2 . 11118 1 229 . 1 1 26 26 ARG HD3 H 1 2.951 0.030 . 2 . . . . 26 ARG HD3 . 11118 1 230 . 1 1 26 26 ARG HG2 H 1 1.198 0.030 . 1 . . . . 26 ARG HG2 . 11118 1 231 . 1 1 26 26 ARG HG3 H 1 1.198 0.030 . 1 . . . . 26 ARG HG3 . 11118 1 232 . 1 1 26 26 ARG C C 13 174.351 0.300 . 1 . . . . 26 ARG C . 11118 1 233 . 1 1 26 26 ARG CA C 13 54.816 0.300 . 1 . . . . 26 ARG CA . 11118 1 234 . 1 1 26 26 ARG CB C 13 32.625 0.300 . 1 . . . . 26 ARG CB . 11118 1 235 . 1 1 26 26 ARG CD C 13 43.056 0.300 . 1 . . . . 26 ARG CD . 11118 1 236 . 1 1 26 26 ARG CG C 13 27.973 0.300 . 1 . . . . 26 ARG CG . 11118 1 237 . 1 1 26 26 ARG N N 15 126.842 0.300 . 1 . . . . 26 ARG N . 11118 1 238 . 1 1 27 27 ILE H H 1 9.257 0.030 . 1 . . . . 27 ILE H . 11118 1 239 . 1 1 27 27 ILE HA H 1 5.180 0.030 . 1 . . . . 27 ILE HA . 11118 1 240 . 1 1 27 27 ILE HB H 1 2.151 0.030 . 1 . . . . 27 ILE HB . 11118 1 241 . 1 1 27 27 ILE HD11 H 1 -0.454 0.030 . 1 . . . . 27 ILE HD1 . 11118 1 242 . 1 1 27 27 ILE HD12 H 1 -0.454 0.030 . 1 . . . . 27 ILE HD1 . 11118 1 243 . 1 1 27 27 ILE HD13 H 1 -0.454 0.030 . 1 . . . . 27 ILE HD1 . 11118 1 244 . 1 1 27 27 ILE HG12 H 1 1.187 0.030 . 2 . . . . 27 ILE HG12 . 11118 1 245 . 1 1 27 27 ILE HG13 H 1 0.775 0.030 . 2 . . . . 27 ILE HG13 . 11118 1 246 . 1 1 27 27 ILE HG21 H 1 0.915 0.030 . 1 . . . . 27 ILE HG2 . 11118 1 247 . 1 1 27 27 ILE HG22 H 1 0.915 0.030 . 1 . . . . 27 ILE HG2 . 11118 1 248 . 1 1 27 27 ILE HG23 H 1 0.915 0.030 . 1 . . . . 27 ILE HG2 . 11118 1 249 . 1 1 27 27 ILE C C 13 175.295 0.300 . 1 . . . . 27 ILE C . 11118 1 250 . 1 1 27 27 ILE CA C 13 57.175 0.300 . 1 . . . . 27 ILE CA . 11118 1 251 . 1 1 27 27 ILE CB C 13 37.822 0.300 . 1 . . . . 27 ILE CB . 11118 1 252 . 1 1 27 27 ILE CD1 C 13 9.635 0.300 . 1 . . . . 27 ILE CD1 . 11118 1 253 . 1 1 27 27 ILE CG1 C 13 27.663 0.300 . 1 . . . . 27 ILE CG1 . 11118 1 254 . 1 1 27 27 ILE CG2 C 13 17.622 0.300 . 1 . . . . 27 ILE CG2 . 11118 1 255 . 1 1 27 27 ILE N N 15 131.047 0.300 . 1 . . . . 27 ILE N . 11118 1 256 . 1 1 28 28 THR H H 1 8.604 0.030 . 1 . . . . 28 THR H . 11118 1 257 . 1 1 28 28 THR HA H 1 4.604 0.030 . 1 . . . . 28 THR HA . 11118 1 258 . 1 1 28 28 THR HB H 1 4.103 0.030 . 1 . . . . 28 THR HB . 11118 1 259 . 1 1 28 28 THR HG21 H 1 0.968 0.030 . 1 . . . . 28 THR HG2 . 11118 1 260 . 1 1 28 28 THR HG22 H 1 0.968 0.030 . 1 . . . . 28 THR HG2 . 11118 1 261 . 1 1 28 28 THR HG23 H 1 0.968 0.030 . 1 . . . . 28 THR HG2 . 11118 1 262 . 1 1 28 28 THR C C 13 173.023 0.300 . 1 . . . . 28 THR C . 11118 1 263 . 1 1 28 28 THR CA C 13 60.136 0.300 . 1 . . . . 28 THR CA . 11118 1 264 . 1 1 28 28 THR CB C 13 72.053 0.300 . 1 . . . . 28 THR CB . 11118 1 265 . 1 1 28 28 THR CG2 C 13 21.835 0.300 . 1 . . . . 28 THR CG2 . 11118 1 266 . 1 1 28 28 THR N N 15 116.180 0.300 . 1 . . . . 28 THR N . 11118 1 267 . 1 1 29 29 TRP H H 1 7.003 0.030 . 1 . . . . 29 TRP H . 11118 1 268 . 1 1 29 29 TRP HA H 1 4.849 0.030 . 1 . . . . 29 TRP HA . 11118 1 269 . 1 1 29 29 TRP HB2 H 1 3.449 0.030 . 2 . . . . 29 TRP HB2 . 11118 1 270 . 1 1 29 29 TRP HB3 H 1 3.011 0.030 . 2 . . . . 29 TRP HB3 . 11118 1 271 . 1 1 29 29 TRP HD1 H 1 6.287 0.030 . 1 . . . . 29 TRP HD1 . 11118 1 272 . 1 1 29 29 TRP HE1 H 1 5.877 0.030 . 1 . . . . 29 TRP HE1 . 11118 1 273 . 1 1 29 29 TRP HE3 H 1 6.920 0.030 . 1 . . . . 29 TRP HE3 . 11118 1 274 . 1 1 29 29 TRP HH2 H 1 6.587 0.030 . 1 . . . . 29 TRP HH2 . 11118 1 275 . 1 1 29 29 TRP HZ2 H 1 7.343 0.030 . 1 . . . . 29 TRP HZ2 . 11118 1 276 . 1 1 29 29 TRP HZ3 H 1 6.583 0.030 . 1 . . . . 29 TRP HZ3 . 11118 1 277 . 1 1 29 29 TRP C C 13 171.594 0.300 . 1 . . . . 29 TRP C . 11118 1 278 . 1 1 29 29 TRP CA C 13 56.805 0.300 . 1 . . . . 29 TRP CA . 11118 1 279 . 1 1 29 29 TRP CB C 13 30.727 0.300 . 1 . . . . 29 TRP CB . 11118 1 280 . 1 1 29 29 TRP CD1 C 13 124.329 0.300 . 1 . . . . 29 TRP CD1 . 11118 1 281 . 1 1 29 29 TRP CE3 C 13 119.919 0.300 . 1 . . . . 29 TRP CE3 . 11118 1 282 . 1 1 29 29 TRP CH2 C 13 123.640 0.300 . 1 . . . . 29 TRP CH2 . 11118 1 283 . 1 1 29 29 TRP CZ2 C 13 116.082 0.300 . 1 . . . . 29 TRP CZ2 . 11118 1 284 . 1 1 29 29 TRP CZ3 C 13 121.306 0.300 . 1 . . . . 29 TRP CZ3 . 11118 1 285 . 1 1 29 29 TRP N N 15 115.540 0.300 . 1 . . . . 29 TRP N . 11118 1 286 . 1 1 29 29 TRP NE1 N 15 124.620 0.300 . 1 . . . . 29 TRP NE1 . 11118 1 287 . 1 1 30 30 ALA H H 1 9.000 0.030 . 1 . . . . 30 ALA H . 11118 1 288 . 1 1 30 30 ALA HA H 1 4.667 0.030 . 1 . . . . 30 ALA HA . 11118 1 289 . 1 1 30 30 ALA HB1 H 1 1.231 0.030 . 1 . . . . 30 ALA HB . 11118 1 290 . 1 1 30 30 ALA HB2 H 1 1.231 0.030 . 1 . . . . 30 ALA HB . 11118 1 291 . 1 1 30 30 ALA HB3 H 1 1.231 0.030 . 1 . . . . 30 ALA HB . 11118 1 292 . 1 1 30 30 ALA C C 13 175.849 0.300 . 1 . . . . 30 ALA C . 11118 1 293 . 1 1 30 30 ALA CA C 13 50.398 0.300 . 1 . . . . 30 ALA CA . 11118 1 294 . 1 1 30 30 ALA CB C 13 22.139 0.300 . 1 . . . . 30 ALA CB . 11118 1 295 . 1 1 30 30 ALA N N 15 120.172 0.300 . 1 . . . . 30 ALA N . 11118 1 296 . 1 1 31 31 ASP H H 1 8.388 0.030 . 1 . . . . 31 ASP H . 11118 1 297 . 1 1 31 31 ASP HA H 1 5.109 0.030 . 1 . . . . 31 ASP HA . 11118 1 298 . 1 1 31 31 ASP HB2 H 1 3.026 0.030 . 2 . . . . 31 ASP HB2 . 11118 1 299 . 1 1 31 31 ASP HB3 H 1 2.411 0.030 . 2 . . . . 31 ASP HB3 . 11118 1 300 . 1 1 31 31 ASP C C 13 177.267 0.300 . 1 . . . . 31 ASP C . 11118 1 301 . 1 1 31 31 ASP CA C 13 52.073 0.300 . 1 . . . . 31 ASP CA . 11118 1 302 . 1 1 31 31 ASP CB C 13 42.507 0.300 . 1 . . . . 31 ASP CB . 11118 1 303 . 1 1 31 31 ASP N N 15 118.012 0.300 . 1 . . . . 31 ASP N . 11118 1 304 . 1 1 32 32 ASN H H 1 9.141 0.030 . 1 . . . . 32 ASN H . 11118 1 305 . 1 1 32 32 ASN HA H 1 4.722 0.030 . 1 . . . . 32 ASN HA . 11118 1 306 . 1 1 32 32 ASN HB2 H 1 2.984 0.030 . 2 . . . . 32 ASN HB2 . 11118 1 307 . 1 1 32 32 ASN HB3 H 1 2.773 0.030 . 2 . . . . 32 ASN HB3 . 11118 1 308 . 1 1 32 32 ASN HD21 H 1 7.655 0.030 . 2 . . . . 32 ASN HD21 . 11118 1 309 . 1 1 32 32 ASN HD22 H 1 6.899 0.030 . 2 . . . . 32 ASN HD22 . 11118 1 310 . 1 1 32 32 ASN C C 13 175.613 0.300 . 1 . . . . 32 ASN C . 11118 1 311 . 1 1 32 32 ASN CA C 13 54.130 0.300 . 1 . . . . 32 ASN CA . 11118 1 312 . 1 1 32 32 ASN CB C 13 38.058 0.300 . 1 . . . . 32 ASN CB . 11118 1 313 . 1 1 32 32 ASN N N 15 124.054 0.300 . 1 . . . . 32 ASN N . 11118 1 314 . 1 1 32 32 ASN ND2 N 15 111.499 0.300 . 1 . . . . 32 ASN ND2 . 11118 1 315 . 1 1 33 33 SER H H 1 8.761 0.030 . 1 . . . . 33 SER H . 11118 1 316 . 1 1 33 33 SER HA H 1 4.540 0.030 . 1 . . . . 33 SER HA . 11118 1 317 . 1 1 33 33 SER HB2 H 1 4.118 0.030 . 2 . . . . 33 SER HB2 . 11118 1 318 . 1 1 33 33 SER HB3 H 1 3.856 0.030 . 2 . . . . 33 SER HB3 . 11118 1 319 . 1 1 33 33 SER C C 13 174.783 0.300 . 1 . . . . 33 SER C . 11118 1 320 . 1 1 33 33 SER CA C 13 58.987 0.300 . 1 . . . . 33 SER CA . 11118 1 321 . 1 1 33 33 SER CB C 13 64.338 0.300 . 1 . . . . 33 SER CB . 11118 1 322 . 1 1 33 33 SER N N 15 114.921 0.300 . 1 . . . . 33 SER N . 11118 1 323 . 1 1 34 34 LEU H H 1 7.327 0.030 . 1 . . . . 34 LEU H . 11118 1 324 . 1 1 34 34 LEU HA H 1 4.628 0.030 . 1 . . . . 34 LEU HA . 11118 1 325 . 1 1 34 34 LEU HB2 H 1 1.792 0.030 . 2 . . . . 34 LEU HB2 . 11118 1 326 . 1 1 34 34 LEU HB3 H 1 1.408 0.030 . 2 . . . . 34 LEU HB3 . 11118 1 327 . 1 1 34 34 LEU HD11 H 1 0.953 0.030 . 1 . . . . 34 LEU HD1 . 11118 1 328 . 1 1 34 34 LEU HD12 H 1 0.953 0.030 . 1 . . . . 34 LEU HD1 . 11118 1 329 . 1 1 34 34 LEU HD13 H 1 0.953 0.030 . 1 . . . . 34 LEU HD1 . 11118 1 330 . 1 1 34 34 LEU HD21 H 1 0.870 0.030 . 1 . . . . 34 LEU HD2 . 11118 1 331 . 1 1 34 34 LEU HD22 H 1 0.870 0.030 . 1 . . . . 34 LEU HD2 . 11118 1 332 . 1 1 34 34 LEU HD23 H 1 0.870 0.030 . 1 . . . . 34 LEU HD2 . 11118 1 333 . 1 1 34 34 LEU HG H 1 1.503 0.030 . 1 . . . . 34 LEU HG . 11118 1 334 . 1 1 34 34 LEU C C 13 174.589 0.300 . 1 . . . . 34 LEU C . 11118 1 335 . 1 1 34 34 LEU CA C 13 52.704 0.300 . 1 . . . . 34 LEU CA . 11118 1 336 . 1 1 34 34 LEU CB C 13 42.328 0.300 . 1 . . . . 34 LEU CB . 11118 1 337 . 1 1 34 34 LEU CD1 C 13 26.437 0.300 . 2 . . . . 34 LEU CD1 . 11118 1 338 . 1 1 34 34 LEU CD2 C 13 23.085 0.300 . 2 . . . . 34 LEU CD2 . 11118 1 339 . 1 1 34 34 LEU CG C 13 26.925 0.300 . 1 . . . . 34 LEU CG . 11118 1 340 . 1 1 34 34 LEU N N 15 124.719 0.300 . 1 . . . . 34 LEU N . 11118 1 341 . 1 1 35 35 PRO HA H 1 4.418 0.030 . 1 . . . . 35 PRO HA . 11118 1 342 . 1 1 35 35 PRO HB2 H 1 2.278 0.030 . 2 . . . . 35 PRO HB2 . 11118 1 343 . 1 1 35 35 PRO HB3 H 1 1.040 0.030 . 2 . . . . 35 PRO HB3 . 11118 1 344 . 1 1 35 35 PRO HD2 H 1 3.400 0.030 . 2 . . . . 35 PRO HD2 . 11118 1 345 . 1 1 35 35 PRO HD3 H 1 3.866 0.030 . 2 . . . . 35 PRO HD3 . 11118 1 346 . 1 1 35 35 PRO HG2 H 1 1.936 0.030 . 1 . . . . 35 PRO HG2 . 11118 1 347 . 1 1 35 35 PRO HG3 H 1 1.936 0.030 . 1 . . . . 35 PRO HG3 . 11118 1 348 . 1 1 35 35 PRO CA C 13 62.152 0.300 . 1 . . . . 35 PRO CA . 11118 1 349 . 1 1 35 35 PRO CB C 13 32.017 0.300 . 1 . . . . 35 PRO CB . 11118 1 350 . 1 1 35 35 PRO CD C 13 50.490 0.300 . 1 . . . . 35 PRO CD . 11118 1 351 . 1 1 35 35 PRO CG C 13 28.109 0.300 . 1 . . . . 35 PRO CG . 11118 1 352 . 1 1 36 36 LYS H H 1 8.537 0.030 . 1 . . . . 36 LYS H . 11118 1 353 . 1 1 36 36 LYS HA H 1 4.017 0.030 . 1 . . . . 36 LYS HA . 11118 1 354 . 1 1 36 36 LYS HB2 H 1 1.764 0.030 . 2 . . . . 36 LYS HB2 . 11118 1 355 . 1 1 36 36 LYS HB3 H 1 1.687 0.030 . 2 . . . . 36 LYS HB3 . 11118 1 356 . 1 1 36 36 LYS HD2 H 1 1.639 0.030 . 1 . . . . 36 LYS HD2 . 11118 1 357 . 1 1 36 36 LYS HD3 H 1 1.639 0.030 . 1 . . . . 36 LYS HD3 . 11118 1 358 . 1 1 36 36 LYS HE2 H 1 2.964 0.030 . 2 . . . . 36 LYS HE2 . 11118 1 359 . 1 1 36 36 LYS HG2 H 1 1.416 0.030 . 2 . . . . 36 LYS HG2 . 11118 1 360 . 1 1 36 36 LYS HG3 H 1 1.327 0.030 . 2 . . . . 36 LYS HG3 . 11118 1 361 . 1 1 36 36 LYS C C 13 177.135 0.300 . 1 . . . . 36 LYS C . 11118 1 362 . 1 1 36 36 LYS CA C 13 58.371 0.300 . 1 . . . . 36 LYS CA . 11118 1 363 . 1 1 36 36 LYS CB C 13 32.293 0.300 . 1 . . . . 36 LYS CB . 11118 1 364 . 1 1 36 36 LYS CD C 13 28.969 0.300 . 1 . . . . 36 LYS CD . 11118 1 365 . 1 1 36 36 LYS CE C 13 41.993 0.300 . 1 . . . . 36 LYS CE . 11118 1 366 . 1 1 36 36 LYS CG C 13 24.821 0.300 . 1 . . . . 36 LYS CG . 11118 1 367 . 1 1 37 37 HIS H H 1 7.519 0.030 . 1 . . . . 37 HIS H . 11118 1 368 . 1 1 37 37 HIS HA H 1 4.442 0.030 . 1 . . . . 37 HIS HA . 11118 1 369 . 1 1 37 37 HIS HB2 H 1 3.195 0.030 . 2 . . . . 37 HIS HB2 . 11118 1 370 . 1 1 37 37 HIS HB3 H 1 3.104 0.030 . 2 . . . . 37 HIS HB3 . 11118 1 371 . 1 1 37 37 HIS HD2 H 1 7.066 0.030 . 1 . . . . 37 HIS HD2 . 11118 1 372 . 1 1 37 37 HIS HE1 H 1 7.800 0.030 . 1 . . . . 37 HIS HE1 . 11118 1 373 . 1 1 37 37 HIS C C 13 175.561 0.300 . 1 . . . . 37 HIS C . 11118 1 374 . 1 1 37 37 HIS CA C 13 56.435 0.300 . 1 . . . . 37 HIS CA . 11118 1 375 . 1 1 37 37 HIS CB C 13 29.877 0.300 . 1 . . . . 37 HIS CB . 11118 1 376 . 1 1 37 37 HIS CD2 C 13 119.659 0.300 . 1 . . . . 37 HIS CD2 . 11118 1 377 . 1 1 37 37 HIS CE1 C 13 138.993 0.300 . 1 . . . . 37 HIS CE1 . 11118 1 378 . 1 1 37 37 HIS N N 15 114.147 0.300 . 1 . . . . 37 HIS N . 11118 1 379 . 1 1 38 38 GLN H H 1 8.054 0.030 . 1 . . . . 38 GLN H . 11118 1 380 . 1 1 38 38 GLN HA H 1 3.840 0.030 . 1 . . . . 38 GLN HA . 11118 1 381 . 1 1 38 38 GLN HB2 H 1 2.255 0.030 . 2 . . . . 38 GLN HB2 . 11118 1 382 . 1 1 38 38 GLN HB3 H 1 2.103 0.030 . 2 . . . . 38 GLN HB3 . 11118 1 383 . 1 1 38 38 GLN HE21 H 1 7.143 0.030 . 2 . . . . 38 GLN HE21 . 11118 1 384 . 1 1 38 38 GLN HE22 H 1 7.041 0.030 . 2 . . . . 38 GLN HE22 . 11118 1 385 . 1 1 38 38 GLN HG2 H 1 2.265 0.030 . 2 . . . . 38 GLN HG2 . 11118 1 386 . 1 1 38 38 GLN HG3 H 1 2.172 0.030 . 2 . . . . 38 GLN HG3 . 11118 1 387 . 1 1 38 38 GLN C C 13 174.128 0.300 . 1 . . . . 38 GLN C . 11118 1 388 . 1 1 38 38 GLN CA C 13 56.576 0.300 . 1 . . . . 38 GLN CA . 11118 1 389 . 1 1 38 38 GLN CB C 13 28.131 0.300 . 1 . . . . 38 GLN CB . 11118 1 390 . 1 1 38 38 GLN CG C 13 33.888 0.300 . 1 . . . . 38 GLN CG . 11118 1 391 . 1 1 38 38 GLN N N 15 115.587 0.300 . 1 . . . . 38 GLN N . 11118 1 392 . 1 1 38 38 GLN NE2 N 15 113.774 0.300 . 1 . . . . 38 GLN NE2 . 11118 1 393 . 1 1 39 39 LYS H H 1 9.188 0.030 . 1 . . . . 39 LYS H . 11118 1 394 . 1 1 39 39 LYS HA H 1 4.395 0.030 . 1 . . . . 39 LYS HA . 11118 1 395 . 1 1 39 39 LYS HB2 H 1 1.681 0.030 . 1 . . . . 39 LYS HB2 . 11118 1 396 . 1 1 39 39 LYS HB3 H 1 1.681 0.030 . 1 . . . . 39 LYS HB3 . 11118 1 397 . 1 1 39 39 LYS HD2 H 1 1.549 0.030 . 2 . . . . 39 LYS HD2 . 11118 1 398 . 1 1 39 39 LYS HD3 H 1 1.474 0.030 . 2 . . . . 39 LYS HD3 . 11118 1 399 . 1 1 39 39 LYS HE2 H 1 2.848 0.030 . 2 . . . . 39 LYS HE2 . 11118 1 400 . 1 1 39 39 LYS HG2 H 1 1.317 0.030 . 2 . . . . 39 LYS HG2 . 11118 1 401 . 1 1 39 39 LYS HG3 H 1 1.367 0.030 . 2 . . . . 39 LYS HG3 . 11118 1 402 . 1 1 39 39 LYS C C 13 176.119 0.300 . 1 . . . . 39 LYS C . 11118 1 403 . 1 1 39 39 LYS CA C 13 56.052 0.300 . 1 . . . . 39 LYS CA . 11118 1 404 . 1 1 39 39 LYS CB C 13 32.936 0.300 . 1 . . . . 39 LYS CB . 11118 1 405 . 1 1 39 39 LYS CD C 13 28.886 0.300 . 1 . . . . 39 LYS CD . 11118 1 406 . 1 1 39 39 LYS CE C 13 42.076 0.300 . 1 . . . . 39 LYS CE . 11118 1 407 . 1 1 39 39 LYS CG C 13 24.836 0.300 . 1 . . . . 39 LYS CG . 11118 1 408 . 1 1 40 40 ILE H H 1 8.459 0.030 . 1 . . . . 40 ILE H . 11118 1 409 . 1 1 40 40 ILE HA H 1 4.169 0.030 . 1 . . . . 40 ILE HA . 11118 1 410 . 1 1 40 40 ILE HB H 1 1.951 0.030 . 1 . . . . 40 ILE HB . 11118 1 411 . 1 1 40 40 ILE HD11 H 1 1.076 0.030 . 1 . . . . 40 ILE HD1 . 11118 1 412 . 1 1 40 40 ILE HD12 H 1 1.076 0.030 . 1 . . . . 40 ILE HD1 . 11118 1 413 . 1 1 40 40 ILE HD13 H 1 1.076 0.030 . 1 . . . . 40 ILE HD1 . 11118 1 414 . 1 1 40 40 ILE HG12 H 1 1.128 0.030 . 2 . . . . 40 ILE HG12 . 11118 1 415 . 1 1 40 40 ILE HG13 H 1 1.749 0.030 . 2 . . . . 40 ILE HG13 . 11118 1 416 . 1 1 40 40 ILE HG21 H 1 1.097 0.030 . 1 . . . . 40 ILE HG2 . 11118 1 417 . 1 1 40 40 ILE HG22 H 1 1.097 0.030 . 1 . . . . 40 ILE HG2 . 11118 1 418 . 1 1 40 40 ILE HG23 H 1 1.097 0.030 . 1 . . . . 40 ILE HG2 . 11118 1 419 . 1 1 40 40 ILE C C 13 177.454 0.300 . 1 . . . . 40 ILE C . 11118 1 420 . 1 1 40 40 ILE CA C 13 61.997 0.300 . 1 . . . . 40 ILE CA . 11118 1 421 . 1 1 40 40 ILE CB C 13 38.706 0.300 . 1 . . . . 40 ILE CB . 11118 1 422 . 1 1 40 40 ILE CD1 C 13 14.327 0.300 . 1 . . . . 40 ILE CD1 . 11118 1 423 . 1 1 40 40 ILE CG1 C 13 28.710 0.300 . 1 . . . . 40 ILE CG1 . 11118 1 424 . 1 1 40 40 ILE CG2 C 13 19.091 0.300 . 1 . . . . 40 ILE CG2 . 11118 1 425 . 1 1 40 40 ILE N N 15 123.116 0.300 . 1 . . . . 40 ILE N . 11118 1 426 . 1 1 41 41 THR HA H 1 4.633 0.030 . 1 . . . . 41 THR HA . 11118 1 427 . 1 1 41 41 THR HB H 1 4.524 0.030 . 1 . . . . 41 THR HB . 11118 1 428 . 1 1 41 41 THR HG21 H 1 1.151 0.030 . 1 . . . . 41 THR HG2 . 11118 1 429 . 1 1 41 41 THR HG22 H 1 1.151 0.030 . 1 . . . . 41 THR HG2 . 11118 1 430 . 1 1 41 41 THR HG23 H 1 1.151 0.030 . 1 . . . . 41 THR HG2 . 11118 1 431 . 1 1 41 41 THR C C 13 174.007 0.300 . 1 . . . . 41 THR C . 11118 1 432 . 1 1 41 41 THR CA C 13 60.950 0.300 . 1 . . . . 41 THR CA . 11118 1 433 . 1 1 41 41 THR CB C 13 69.712 0.300 . 1 . . . . 41 THR CB . 11118 1 434 . 1 1 41 41 THR CG2 C 13 21.564 0.300 . 1 . . . . 41 THR CG2 . 11118 1 435 . 1 1 42 42 ASP H H 1 7.647 0.030 . 1 . . . . 42 ASP H . 11118 1 436 . 1 1 42 42 ASP HA H 1 4.888 0.030 . 1 . . . . 42 ASP HA . 11118 1 437 . 1 1 42 42 ASP HB2 H 1 2.683 0.030 . 2 . . . . 42 ASP HB2 . 11118 1 438 . 1 1 42 42 ASP HB3 H 1 3.151 0.030 . 2 . . . . 42 ASP HB3 . 11118 1 439 . 1 1 42 42 ASP C C 13 176.192 0.300 . 1 . . . . 42 ASP C . 11118 1 440 . 1 1 42 42 ASP CA C 13 52.599 0.300 . 1 . . . . 42 ASP CA . 11118 1 441 . 1 1 42 42 ASP CB C 13 41.846 0.300 . 1 . . . . 42 ASP CB . 11118 1 442 . 1 1 42 42 ASP N N 15 122.024 0.300 . 1 . . . . 42 ASP N . 11118 1 443 . 1 1 43 43 SER HA H 1 4.476 0.030 . 1 . . . . 43 SER HA . 11118 1 444 . 1 1 43 43 SER HB2 H 1 4.150 0.030 . 2 . . . . 43 SER HB2 . 11118 1 445 . 1 1 43 43 SER HB3 H 1 3.965 0.030 . 2 . . . . 43 SER HB3 . 11118 1 446 . 1 1 43 43 SER C C 13 175.083 0.300 . 1 . . . . 43 SER C . 11118 1 447 . 1 1 43 43 SER CA C 13 58.768 0.300 . 1 . . . . 43 SER CA . 11118 1 448 . 1 1 43 43 SER CB C 13 62.849 0.300 . 1 . . . . 43 SER CB . 11118 1 449 . 1 1 44 44 ARG H H 1 7.681 0.030 . 1 . . . . 44 ARG H . 11118 1 450 . 1 1 44 44 ARG HA H 1 4.825 0.030 . 1 . . . . 44 ARG HA . 11118 1 451 . 1 1 44 44 ARG HB2 H 1 1.394 0.030 . 2 . . . . 44 ARG HB2 . 11118 1 452 . 1 1 44 44 ARG HB3 H 1 1.614 0.030 . 2 . . . . 44 ARG HB3 . 11118 1 453 . 1 1 44 44 ARG HD2 H 1 3.387 0.030 . 2 . . . . 44 ARG HD2 . 11118 1 454 . 1 1 44 44 ARG HD3 H 1 2.567 0.030 . 2 . . . . 44 ARG HD3 . 11118 1 455 . 1 1 44 44 ARG HE H 1 8.673 0.030 . 1 . . . . 44 ARG HE . 11118 1 456 . 1 1 44 44 ARG HG2 H 1 1.683 0.030 . 2 . . . . 44 ARG HG2 . 11118 1 457 . 1 1 44 44 ARG HG3 H 1 0.877 0.030 . 2 . . . . 44 ARG HG3 . 11118 1 458 . 1 1 44 44 ARG C C 13 173.023 0.300 . 1 . . . . 44 ARG C . 11118 1 459 . 1 1 44 44 ARG CA C 13 55.468 0.300 . 1 . . . . 44 ARG CA . 11118 1 460 . 1 1 44 44 ARG CB C 13 30.480 0.300 . 1 . . . . 44 ARG CB . 11118 1 461 . 1 1 44 44 ARG CD C 13 43.857 0.300 . 1 . . . . 44 ARG CD . 11118 1 462 . 1 1 44 44 ARG CG C 13 24.198 0.300 . 1 . . . . 44 ARG CG . 11118 1 463 . 1 1 44 44 ARG N N 15 121.442 0.300 . 1 . . . . 44 ARG N . 11118 1 464 . 1 1 44 44 ARG NE N 15 83.187 0.300 . 1 . . . . 44 ARG NE . 11118 1 465 . 1 1 45 45 TYR H H 1 8.407 0.030 . 1 . . . . 45 TYR H . 11118 1 466 . 1 1 45 45 TYR HA H 1 4.777 0.030 . 1 . . . . 45 TYR HA . 11118 1 467 . 1 1 45 45 TYR HB2 H 1 2.945 0.030 . 2 . . . . 45 TYR HB2 . 11118 1 468 . 1 1 45 45 TYR HB3 H 1 2.873 0.030 . 2 . . . . 45 TYR HB3 . 11118 1 469 . 1 1 45 45 TYR HD1 H 1 6.798 0.030 . 1 . . . . 45 TYR HD1 . 11118 1 470 . 1 1 45 45 TYR HD2 H 1 6.798 0.030 . 1 . . . . 45 TYR HD2 . 11118 1 471 . 1 1 45 45 TYR HE1 H 1 6.557 0.030 . 1 . . . . 45 TYR HE1 . 11118 1 472 . 1 1 45 45 TYR HE2 H 1 6.557 0.030 . 1 . . . . 45 TYR HE2 . 11118 1 473 . 1 1 45 45 TYR C C 13 172.623 0.300 . 1 . . . . 45 TYR C . 11118 1 474 . 1 1 45 45 TYR CA C 13 55.978 0.300 . 1 . . . . 45 TYR CA . 11118 1 475 . 1 1 45 45 TYR CB C 13 40.767 0.300 . 1 . . . . 45 TYR CB . 11118 1 476 . 1 1 45 45 TYR CD1 C 13 133.455 0.300 . 1 . . . . 45 TYR CD1 . 11118 1 477 . 1 1 45 45 TYR CD2 C 13 133.455 0.300 . 1 . . . . 45 TYR CD2 . 11118 1 478 . 1 1 45 45 TYR CE1 C 13 117.774 0.300 . 1 . . . . 45 TYR CE1 . 11118 1 479 . 1 1 45 45 TYR CE2 C 13 117.774 0.300 . 1 . . . . 45 TYR CE2 . 11118 1 480 . 1 1 45 45 TYR N N 15 112.922 0.300 . 1 . . . . 45 TYR N . 11118 1 481 . 1 1 46 46 TYR H H 1 9.506 0.030 . 1 . . . . 46 TYR H . 11118 1 482 . 1 1 46 46 TYR HA H 1 5.350 0.030 . 1 . . . . 46 TYR HA . 11118 1 483 . 1 1 46 46 TYR HB2 H 1 2.992 0.030 . 2 . . . . 46 TYR HB2 . 11118 1 484 . 1 1 46 46 TYR HB3 H 1 2.769 0.030 . 2 . . . . 46 TYR HB3 . 11118 1 485 . 1 1 46 46 TYR HD1 H 1 7.428 0.030 . 1 . . . . 46 TYR HD1 . 11118 1 486 . 1 1 46 46 TYR HD2 H 1 7.428 0.030 . 1 . . . . 46 TYR HD2 . 11118 1 487 . 1 1 46 46 TYR HE1 H 1 6.627 0.030 . 1 . . . . 46 TYR HE1 . 11118 1 488 . 1 1 46 46 TYR HE2 H 1 6.627 0.030 . 1 . . . . 46 TYR HE2 . 11118 1 489 . 1 1 46 46 TYR C C 13 175.518 0.300 . 1 . . . . 46 TYR C . 11118 1 490 . 1 1 46 46 TYR CA C 13 56.418 0.300 . 1 . . . . 46 TYR CA . 11118 1 491 . 1 1 46 46 TYR CB C 13 41.410 0.300 . 1 . . . . 46 TYR CB . 11118 1 492 . 1 1 46 46 TYR CD1 C 13 136.445 0.300 . 1 . . . . 46 TYR CD1 . 11118 1 493 . 1 1 46 46 TYR CD2 C 13 136.445 0.300 . 1 . . . . 46 TYR CD2 . 11118 1 494 . 1 1 46 46 TYR CE1 C 13 118.626 0.300 . 1 . . . . 46 TYR CE1 . 11118 1 495 . 1 1 46 46 TYR CE2 C 13 118.626 0.300 . 1 . . . . 46 TYR CE2 . 11118 1 496 . 1 1 46 46 TYR N N 15 121.627 0.300 . 1 . . . . 46 TYR N . 11118 1 497 . 1 1 47 47 THR H H 1 8.345 0.030 . 1 . . . . 47 THR H . 11118 1 498 . 1 1 47 47 THR HA H 1 5.444 0.030 . 1 . . . . 47 THR HA . 11118 1 499 . 1 1 47 47 THR HB H 1 3.551 0.030 . 1 . . . . 47 THR HB . 11118 1 500 . 1 1 47 47 THR HG21 H 1 1.367 0.030 . 1 . . . . 47 THR HG2 . 11118 1 501 . 1 1 47 47 THR HG22 H 1 1.367 0.030 . 1 . . . . 47 THR HG2 . 11118 1 502 . 1 1 47 47 THR HG23 H 1 1.367 0.030 . 1 . . . . 47 THR HG2 . 11118 1 503 . 1 1 47 47 THR C C 13 172.040 0.300 . 1 . . . . 47 THR C . 11118 1 504 . 1 1 47 47 THR CA C 13 61.539 0.300 . 1 . . . . 47 THR CA . 11118 1 505 . 1 1 47 47 THR CB C 13 71.186 0.300 . 1 . . . . 47 THR CB . 11118 1 506 . 1 1 47 47 THR CG2 C 13 22.049 0.300 . 1 . . . . 47 THR CG2 . 11118 1 507 . 1 1 47 47 THR N N 15 119.029 0.300 . 1 . . . . 47 THR N . 11118 1 508 . 1 1 48 48 VAL H H 1 9.456 0.030 . 1 . . . . 48 VAL H . 11118 1 509 . 1 1 48 48 VAL HA H 1 4.849 0.030 . 1 . . . . 48 VAL HA . 11118 1 510 . 1 1 48 48 VAL HB H 1 1.887 0.030 . 1 . . . . 48 VAL HB . 11118 1 511 . 1 1 48 48 VAL HG11 H 1 1.160 0.030 . 1 . . . . 48 VAL HG1 . 11118 1 512 . 1 1 48 48 VAL HG12 H 1 1.160 0.030 . 1 . . . . 48 VAL HG1 . 11118 1 513 . 1 1 48 48 VAL HG13 H 1 1.160 0.030 . 1 . . . . 48 VAL HG1 . 11118 1 514 . 1 1 48 48 VAL HG21 H 1 0.762 0.030 . 1 . . . . 48 VAL HG2 . 11118 1 515 . 1 1 48 48 VAL HG22 H 1 0.762 0.030 . 1 . . . . 48 VAL HG2 . 11118 1 516 . 1 1 48 48 VAL HG23 H 1 0.762 0.030 . 1 . . . . 48 VAL HG2 . 11118 1 517 . 1 1 48 48 VAL C C 13 174.296 0.300 . 1 . . . . 48 VAL C . 11118 1 518 . 1 1 48 48 VAL CA C 13 60.290 0.300 . 1 . . . . 48 VAL CA . 11118 1 519 . 1 1 48 48 VAL CB C 13 34.255 0.300 . 1 . . . . 48 VAL CB . 11118 1 520 . 1 1 48 48 VAL CG1 C 13 21.367 0.300 . 2 . . . . 48 VAL CG1 . 11118 1 521 . 1 1 48 48 VAL CG2 C 13 22.367 0.300 . 2 . . . . 48 VAL CG2 . 11118 1 522 . 1 1 48 48 VAL N N 15 128.330 0.300 . 1 . . . . 48 VAL N . 11118 1 523 . 1 1 49 49 ARG H H 1 9.422 0.030 . 1 . . . . 49 ARG H . 11118 1 524 . 1 1 49 49 ARG HA H 1 6.026 0.030 . 1 . . . . 49 ARG HA . 11118 1 525 . 1 1 49 49 ARG HB2 H 1 1.180 0.030 . 2 . . . . 49 ARG HB2 . 11118 1 526 . 1 1 49 49 ARG HB3 H 1 1.064 0.030 . 2 . . . . 49 ARG HB3 . 11118 1 527 . 1 1 49 49 ARG HD2 H 1 0.126 0.030 . 2 . . . . 49 ARG HD2 . 11118 1 528 . 1 1 49 49 ARG HD3 H 1 -0.073 0.030 . 2 . . . . 49 ARG HD3 . 11118 1 529 . 1 1 49 49 ARG HE H 1 5.447 0.030 . 1 . . . . 49 ARG HE . 11118 1 530 . 1 1 49 49 ARG HG2 H 1 0.883 0.030 . 2 . . . . 49 ARG HG2 . 11118 1 531 . 1 1 49 49 ARG HG3 H 1 0.688 0.030 . 2 . . . . 49 ARG HG3 . 11118 1 532 . 1 1 49 49 ARG C C 13 175.022 0.300 . 1 . . . . 49 ARG C . 11118 1 533 . 1 1 49 49 ARG CA C 13 53.318 0.300 . 1 . . . . 49 ARG CA . 11118 1 534 . 1 1 49 49 ARG CB C 13 33.353 0.300 . 1 . . . . 49 ARG CB . 11118 1 535 . 1 1 49 49 ARG CD C 13 41.367 0.300 . 1 . . . . 49 ARG CD . 11118 1 536 . 1 1 49 49 ARG CG C 13 25.611 0.300 . 1 . . . . 49 ARG CG . 11118 1 537 . 1 1 49 49 ARG N N 15 123.713 0.300 . 1 . . . . 49 ARG N . 11118 1 538 . 1 1 49 49 ARG NE N 15 86.035 0.300 . 1 . . . . 49 ARG NE . 11118 1 539 . 1 1 50 50 TRP H H 1 8.460 0.030 . 1 . . . . 50 TRP H . 11118 1 540 . 1 1 50 50 TRP HA H 1 6.066 0.030 . 1 . . . . 50 TRP HA . 11118 1 541 . 1 1 50 50 TRP HB2 H 1 3.666 0.030 . 2 . . . . 50 TRP HB2 . 11118 1 542 . 1 1 50 50 TRP HB3 H 1 2.328 0.030 . 2 . . . . 50 TRP HB3 . 11118 1 543 . 1 1 50 50 TRP HD1 H 1 6.587 0.030 . 1 . . . . 50 TRP HD1 . 11118 1 544 . 1 1 50 50 TRP HE1 H 1 9.769 0.030 . 1 . . . . 50 TRP HE1 . 11118 1 545 . 1 1 50 50 TRP HE3 H 1 7.238 0.030 . 1 . . . . 50 TRP HE3 . 11118 1 546 . 1 1 50 50 TRP HH2 H 1 7.169 0.030 . 1 . . . . 50 TRP HH2 . 11118 1 547 . 1 1 50 50 TRP HZ2 H 1 7.529 0.030 . 1 . . . . 50 TRP HZ2 . 11118 1 548 . 1 1 50 50 TRP HZ3 H 1 6.786 0.030 . 1 . . . . 50 TRP HZ3 . 11118 1 549 . 1 1 50 50 TRP C C 13 174.739 0.300 . 1 . . . . 50 TRP C . 11118 1 550 . 1 1 50 50 TRP CA C 13 56.398 0.300 . 1 . . . . 50 TRP CA . 11118 1 551 . 1 1 50 50 TRP CB C 13 35.458 0.300 . 1 . . . . 50 TRP CB . 11118 1 552 . 1 1 50 50 TRP CD1 C 13 125.222 0.300 . 1 . . . . 50 TRP CD1 . 11118 1 553 . 1 1 50 50 TRP CE3 C 13 121.619 0.300 . 1 . . . . 50 TRP CE3 . 11118 1 554 . 1 1 50 50 TRP CH2 C 13 124.038 0.300 . 1 . . . . 50 TRP CH2 . 11118 1 555 . 1 1 50 50 TRP CZ2 C 13 114.790 0.300 . 1 . . . . 50 TRP CZ2 . 11118 1 556 . 1 1 50 50 TRP CZ3 C 13 121.574 0.300 . 1 . . . . 50 TRP CZ3 . 11118 1 557 . 1 1 50 50 TRP N N 15 116.608 0.300 . 1 . . . . 50 TRP N . 11118 1 558 . 1 1 50 50 TRP NE1 N 15 128.512 0.300 . 1 . . . . 50 TRP NE1 . 11118 1 559 . 1 1 51 51 LYS H H 1 8.055 0.030 . 1 . . . . 51 LYS H . 11118 1 560 . 1 1 51 51 LYS HA H 1 4.861 0.030 . 1 . . . . 51 LYS HA . 11118 1 561 . 1 1 51 51 LYS HB2 H 1 1.359 0.030 . 2 . . . . 51 LYS HB2 . 11118 1 562 . 1 1 51 51 LYS HB3 H 1 1.289 0.030 . 2 . . . . 51 LYS HB3 . 11118 1 563 . 1 1 51 51 LYS HD2 H 1 0.110 0.030 . 2 . . . . 51 LYS HD2 . 11118 1 564 . 1 1 51 51 LYS HD3 H 1 0.660 0.030 . 2 . . . . 51 LYS HD3 . 11118 1 565 . 1 1 51 51 LYS HE2 H 1 2.541 0.030 . 2 . . . . 51 LYS HE2 . 11118 1 566 . 1 1 51 51 LYS HE3 H 1 2.382 0.030 . 2 . . . . 51 LYS HE3 . 11118 1 567 . 1 1 51 51 LYS HG2 H 1 0.737 0.030 . 2 . . . . 51 LYS HG2 . 11118 1 568 . 1 1 51 51 LYS HG3 H 1 0.690 0.030 . 2 . . . . 51 LYS HG3 . 11118 1 569 . 1 1 51 51 LYS C C 13 174.553 0.300 . 1 . . . . 51 LYS C . 11118 1 570 . 1 1 51 51 LYS CA C 13 54.887 0.300 . 1 . . . . 51 LYS CA . 11118 1 571 . 1 1 51 51 LYS CB C 13 35.303 0.300 . 1 . . . . 51 LYS CB . 11118 1 572 . 1 1 51 51 LYS CD C 13 28.447 0.300 . 1 . . . . 51 LYS CD . 11118 1 573 . 1 1 51 51 LYS CE C 13 41.911 0.300 . 1 . . . . 51 LYS CE . 11118 1 574 . 1 1 51 51 LYS CG C 13 21.974 0.300 . 1 . . . . 51 LYS CG . 11118 1 575 . 1 1 51 51 LYS N N 15 114.202 0.300 . 1 . . . . 51 LYS N . 11118 1 576 . 1 1 52 52 THR H H 1 7.818 0.030 . 1 . . . . 52 THR H . 11118 1 577 . 1 1 52 52 THR HA H 1 4.441 0.030 . 1 . . . . 52 THR HA . 11118 1 578 . 1 1 52 52 THR HB H 1 3.920 0.030 . 1 . . . . 52 THR HB . 11118 1 579 . 1 1 52 52 THR HG21 H 1 0.978 0.030 . 1 . . . . 52 THR HG2 . 11118 1 580 . 1 1 52 52 THR HG22 H 1 0.978 0.030 . 1 . . . . 52 THR HG2 . 11118 1 581 . 1 1 52 52 THR HG23 H 1 0.978 0.030 . 1 . . . . 52 THR HG2 . 11118 1 582 . 1 1 52 52 THR C C 13 173.929 0.300 . 1 . . . . 52 THR C . 11118 1 583 . 1 1 52 52 THR CA C 13 60.240 0.300 . 1 . . . . 52 THR CA . 11118 1 584 . 1 1 52 52 THR CB C 13 69.182 0.300 . 1 . . . . 52 THR CB . 11118 1 585 . 1 1 52 52 THR CG2 C 13 21.515 0.300 . 1 . . . . 52 THR CG2 . 11118 1 586 . 1 1 52 52 THR N N 15 112.442 0.300 . 1 . . . . 52 THR N . 11118 1 587 . 1 1 53 53 ASN H H 1 8.162 0.030 . 1 . . . . 53 ASN H . 11118 1 588 . 1 1 53 53 ASN HA H 1 4.504 0.030 . 1 . . . . 53 ASN HA . 11118 1 589 . 1 1 53 53 ASN HB2 H 1 2.560 0.030 . 2 . . . . 53 ASN HB2 . 11118 1 590 . 1 1 53 53 ASN HB3 H 1 2.509 0.030 . 2 . . . . 53 ASN HB3 . 11118 1 591 . 1 1 53 53 ASN HD21 H 1 7.655 0.030 . 2 . . . . 53 ASN HD21 . 11118 1 592 . 1 1 53 53 ASN HD22 H 1 6.881 0.030 . 2 . . . . 53 ASN HD22 . 11118 1 593 . 1 1 53 53 ASN C C 13 174.161 0.300 . 1 . . . . 53 ASN C . 11118 1 594 . 1 1 53 53 ASN CA C 13 54.922 0.300 . 1 . . . . 53 ASN CA . 11118 1 595 . 1 1 53 53 ASN CB C 13 40.194 0.300 . 1 . . . . 53 ASN CB . 11118 1 596 . 1 1 53 53 ASN N N 15 120.475 0.300 . 1 . . . . 53 ASN N . 11118 1 597 . 1 1 53 53 ASN ND2 N 15 111.810 0.300 . 1 . . . . 53 ASN ND2 . 11118 1 598 . 1 1 54 54 ILE H H 1 7.532 0.030 . 1 . . . . 54 ILE H . 11118 1 599 . 1 1 54 54 ILE HA H 1 4.156 0.030 . 1 . . . . 54 ILE HA . 11118 1 600 . 1 1 54 54 ILE HB H 1 1.685 0.030 . 1 . . . . 54 ILE HB . 11118 1 601 . 1 1 54 54 ILE HD11 H 1 0.804 0.030 . 1 . . . . 54 ILE HD1 . 11118 1 602 . 1 1 54 54 ILE HD12 H 1 0.804 0.030 . 1 . . . . 54 ILE HD1 . 11118 1 603 . 1 1 54 54 ILE HD13 H 1 0.804 0.030 . 1 . . . . 54 ILE HD1 . 11118 1 604 . 1 1 54 54 ILE HG12 H 1 1.019 0.030 . 2 . . . . 54 ILE HG12 . 11118 1 605 . 1 1 54 54 ILE HG13 H 1 1.382 0.030 . 2 . . . . 54 ILE HG13 . 11118 1 606 . 1 1 54 54 ILE HG21 H 1 0.815 0.030 . 1 . . . . 54 ILE HG2 . 11118 1 607 . 1 1 54 54 ILE HG22 H 1 0.815 0.030 . 1 . . . . 54 ILE HG2 . 11118 1 608 . 1 1 54 54 ILE HG23 H 1 0.815 0.030 . 1 . . . . 54 ILE HG2 . 11118 1 609 . 1 1 54 54 ILE C C 13 174.881 0.300 . 1 . . . . 54 ILE C . 11118 1 610 . 1 1 54 54 ILE CA C 13 57.726 0.300 . 1 . . . . 54 ILE CA . 11118 1 611 . 1 1 54 54 ILE CB C 13 41.012 0.300 . 1 . . . . 54 ILE CB . 11118 1 612 . 1 1 54 54 ILE CD1 C 13 12.921 0.300 . 1 . . . . 54 ILE CD1 . 11118 1 613 . 1 1 54 54 ILE CG1 C 13 26.744 0.300 . 1 . . . . 54 ILE CG1 . 11118 1 614 . 1 1 54 54 ILE CG2 C 13 16.912 0.300 . 1 . . . . 54 ILE CG2 . 11118 1 615 . 1 1 54 54 ILE N N 15 117.380 0.300 . 1 . . . . 54 ILE N . 11118 1 616 . 1 1 55 55 PRO HA H 1 4.671 0.030 . 1 . . . . 55 PRO HA . 11118 1 617 . 1 1 55 55 PRO HB2 H 1 2.398 0.030 . 2 . . . . 55 PRO HB2 . 11118 1 618 . 1 1 55 55 PRO HB3 H 1 2.095 0.030 . 2 . . . . 55 PRO HB3 . 11118 1 619 . 1 1 55 55 PRO HD2 H 1 3.434 0.030 . 1 . . . . 55 PRO HD2 . 11118 1 620 . 1 1 55 55 PRO HD3 H 1 3.434 0.030 . 1 . . . . 55 PRO HD3 . 11118 1 621 . 1 1 55 55 PRO HG2 H 1 1.888 0.030 . 2 . . . . 55 PRO HG2 . 11118 1 622 . 1 1 55 55 PRO HG3 H 1 1.731 0.030 . 2 . . . . 55 PRO HG3 . 11118 1 623 . 1 1 55 55 PRO CA C 13 62.858 0.300 . 1 . . . . 55 PRO CA . 11118 1 624 . 1 1 55 55 PRO CB C 13 34.551 0.300 . 1 . . . . 55 PRO CB . 11118 1 625 . 1 1 55 55 PRO CD C 13 49.897 0.300 . 1 . . . . 55 PRO CD . 11118 1 626 . 1 1 55 55 PRO CG C 13 25.095 0.300 . 1 . . . . 55 PRO CG . 11118 1 627 . 1 1 56 56 ALA H H 1 8.649 0.030 . 1 . . . . 56 ALA H . 11118 1 628 . 1 1 56 56 ALA HA H 1 4.100 0.030 . 1 . . . . 56 ALA HA . 11118 1 629 . 1 1 56 56 ALA HB1 H 1 1.363 0.030 . 1 . . . . 56 ALA HB . 11118 1 630 . 1 1 56 56 ALA HB2 H 1 1.363 0.030 . 1 . . . . 56 ALA HB . 11118 1 631 . 1 1 56 56 ALA HB3 H 1 1.363 0.030 . 1 . . . . 56 ALA HB . 11118 1 632 . 1 1 56 56 ALA C C 13 177.912 0.300 . 1 . . . . 56 ALA C . 11118 1 633 . 1 1 56 56 ALA CA C 13 53.795 0.300 . 1 . . . . 56 ALA CA . 11118 1 634 . 1 1 56 56 ALA CB C 13 18.659 0.300 . 1 . . . . 56 ALA CB . 11118 1 635 . 1 1 57 57 ASN H H 1 8.384 0.030 . 1 . . . . 57 ASN H . 11118 1 636 . 1 1 57 57 ASN HA H 1 4.580 0.030 . 1 . . . . 57 ASN HA . 11118 1 637 . 1 1 57 57 ASN HB2 H 1 2.833 0.030 . 2 . . . . 57 ASN HB2 . 11118 1 638 . 1 1 57 57 ASN HB3 H 1 2.761 0.030 . 2 . . . . 57 ASN HB3 . 11118 1 639 . 1 1 57 57 ASN HD21 H 1 7.573 0.030 . 2 . . . . 57 ASN HD21 . 11118 1 640 . 1 1 57 57 ASN HD22 H 1 6.785 0.030 . 2 . . . . 57 ASN HD22 . 11118 1 641 . 1 1 57 57 ASN C C 13 174.887 0.300 . 1 . . . . 57 ASN C . 11118 1 642 . 1 1 57 57 ASN CA C 13 53.038 0.300 . 1 . . . . 57 ASN CA . 11118 1 643 . 1 1 57 57 ASN CB C 13 37.938 0.300 . 1 . . . . 57 ASN CB . 11118 1 644 . 1 1 57 57 ASN N N 15 114.996 0.300 . 1 . . . . 57 ASN N . 11118 1 645 . 1 1 57 57 ASN ND2 N 15 112.919 0.300 . 1 . . . . 57 ASN ND2 . 11118 1 646 . 1 1 58 58 THR H H 1 7.610 0.030 . 1 . . . . 58 THR H . 11118 1 647 . 1 1 58 58 THR HA H 1 4.057 0.030 . 1 . . . . 58 THR HA . 11118 1 648 . 1 1 58 58 THR HB H 1 4.166 0.030 . 1 . . . . 58 THR HB . 11118 1 649 . 1 1 58 58 THR HG21 H 1 1.143 0.030 . 1 . . . . 58 THR HG2 . 11118 1 650 . 1 1 58 58 THR HG22 H 1 1.143 0.030 . 1 . . . . 58 THR HG2 . 11118 1 651 . 1 1 58 58 THR HG23 H 1 1.143 0.030 . 1 . . . . 58 THR HG2 . 11118 1 652 . 1 1 58 58 THR C C 13 173.684 0.300 . 1 . . . . 58 THR C . 11118 1 653 . 1 1 58 58 THR CA C 13 62.240 0.300 . 1 . . . . 58 THR CA . 11118 1 654 . 1 1 58 58 THR CB C 13 69.706 0.300 . 1 . . . . 58 THR CB . 11118 1 655 . 1 1 58 58 THR CG2 C 13 21.737 0.300 . 1 . . . . 58 THR CG2 . 11118 1 656 . 1 1 58 58 THR N N 15 113.806 0.300 . 1 . . . . 58 THR N . 11118 1 657 . 1 1 59 59 LYS H H 1 8.221 0.030 . 1 . . . . 59 LYS H . 11118 1 658 . 1 1 59 59 LYS HA H 1 4.255 0.030 . 1 . . . . 59 LYS HA . 11118 1 659 . 1 1 59 59 LYS HB2 H 1 1.797 0.030 . 2 . . . . 59 LYS HB2 . 11118 1 660 . 1 1 59 59 LYS HB3 H 1 1.644 0.030 . 2 . . . . 59 LYS HB3 . 11118 1 661 . 1 1 59 59 LYS HD2 H 1 1.643 0.030 . 1 . . . . 59 LYS HD2 . 11118 1 662 . 1 1 59 59 LYS HD3 H 1 1.643 0.030 . 1 . . . . 59 LYS HD3 . 11118 1 663 . 1 1 59 59 LYS HE2 H 1 2.965 0.030 . 1 . . . . 59 LYS HE2 . 11118 1 664 . 1 1 59 59 LYS HE3 H 1 2.965 0.030 . 1 . . . . 59 LYS HE3 . 11118 1 665 . 1 1 59 59 LYS HG2 H 1 1.460 0.030 . 2 . . . . 59 LYS HG2 . 11118 1 666 . 1 1 59 59 LYS HG3 H 1 1.406 0.030 . 2 . . . . 59 LYS HG3 . 11118 1 667 . 1 1 59 59 LYS C C 13 176.790 0.300 . 1 . . . . 59 LYS C . 11118 1 668 . 1 1 59 59 LYS CA C 13 55.407 0.300 . 1 . . . . 59 LYS CA . 11118 1 669 . 1 1 59 59 LYS CB C 13 33.210 0.300 . 1 . . . . 59 LYS CB . 11118 1 670 . 1 1 59 59 LYS CD C 13 28.995 0.300 . 1 . . . . 59 LYS CD . 11118 1 671 . 1 1 59 59 LYS CE C 13 42.161 0.300 . 1 . . . . 59 LYS CE . 11118 1 672 . 1 1 59 59 LYS CG C 13 24.938 0.300 . 1 . . . . 59 LYS CG . 11118 1 673 . 1 1 59 59 LYS N N 15 123.223 0.300 . 1 . . . . 59 LYS N . 11118 1 674 . 1 1 60 60 TYR H H 1 8.183 0.030 . 1 . . . . 60 TYR H . 11118 1 675 . 1 1 60 60 TYR HA H 1 4.231 0.030 . 1 . . . . 60 TYR HA . 11118 1 676 . 1 1 60 60 TYR HB2 H 1 2.632 0.030 . 2 . . . . 60 TYR HB2 . 11118 1 677 . 1 1 60 60 TYR HB3 H 1 2.469 0.030 . 2 . . . . 60 TYR HB3 . 11118 1 678 . 1 1 60 60 TYR HD1 H 1 6.742 0.030 . 1 . . . . 60 TYR HD1 . 11118 1 679 . 1 1 60 60 TYR HD2 H 1 6.742 0.030 . 1 . . . . 60 TYR HD2 . 11118 1 680 . 1 1 60 60 TYR HE1 H 1 6.468 0.030 . 1 . . . . 60 TYR HE1 . 11118 1 681 . 1 1 60 60 TYR HE2 H 1 6.468 0.030 . 1 . . . . 60 TYR HE2 . 11118 1 682 . 1 1 60 60 TYR C C 13 177.568 0.300 . 1 . . . . 60 TYR C . 11118 1 683 . 1 1 60 60 TYR CA C 13 59.783 0.300 . 1 . . . . 60 TYR CA . 11118 1 684 . 1 1 60 60 TYR CB C 13 39.564 0.300 . 1 . . . . 60 TYR CB . 11118 1 685 . 1 1 60 60 TYR CD1 C 13 132.843 0.300 . 1 . . . . 60 TYR CD1 . 11118 1 686 . 1 1 60 60 TYR CD2 C 13 132.843 0.300 . 1 . . . . 60 TYR CD2 . 11118 1 687 . 1 1 60 60 TYR CE1 C 13 117.505 0.300 . 1 . . . . 60 TYR CE1 . 11118 1 688 . 1 1 60 60 TYR CE2 C 13 117.505 0.300 . 1 . . . . 60 TYR CE2 . 11118 1 689 . 1 1 60 60 TYR N N 15 119.513 0.300 . 1 . . . . 60 TYR N . 11118 1 690 . 1 1 61 61 LYS H H 1 8.093 0.030 . 1 . . . . 61 LYS H . 11118 1 691 . 1 1 61 61 LYS HA H 1 4.151 0.030 . 1 . . . . 61 LYS HA . 11118 1 692 . 1 1 61 61 LYS HB2 H 1 0.846 0.030 . 2 . . . . 61 LYS HB2 . 11118 1 693 . 1 1 61 61 LYS HB3 H 1 0.086 0.030 . 2 . . . . 61 LYS HB3 . 11118 1 694 . 1 1 61 61 LYS HD2 H 1 1.721 0.030 . 2 . . . . 61 LYS HD2 . 11118 1 695 . 1 1 61 61 LYS HD3 H 1 1.669 0.030 . 2 . . . . 61 LYS HD3 . 11118 1 696 . 1 1 61 61 LYS HE2 H 1 3.087 0.030 . 1 . . . . 61 LYS HE2 . 11118 1 697 . 1 1 61 61 LYS HE3 H 1 3.087 0.030 . 1 . . . . 61 LYS HE3 . 11118 1 698 . 1 1 61 61 LYS HG2 H 1 1.313 0.030 . 2 . . . . 61 LYS HG2 . 11118 1 699 . 1 1 61 61 LYS HG3 H 1 1.183 0.030 . 2 . . . . 61 LYS HG3 . 11118 1 700 . 1 1 61 61 LYS C C 13 174.398 0.300 . 1 . . . . 61 LYS C . 11118 1 701 . 1 1 61 61 LYS CA C 13 55.030 0.300 . 1 . . . . 61 LYS CA . 11118 1 702 . 1 1 61 61 LYS CB C 13 33.759 0.300 . 1 . . . . 61 LYS CB . 11118 1 703 . 1 1 61 61 LYS CD C 13 29.005 0.300 . 1 . . . . 61 LYS CD . 11118 1 704 . 1 1 61 61 LYS CE C 13 42.492 0.300 . 1 . . . . 61 LYS CE . 11118 1 705 . 1 1 61 61 LYS CG C 13 25.644 0.300 . 1 . . . . 61 LYS CG . 11118 1 706 . 1 1 61 61 LYS N N 15 122.326 0.300 . 1 . . . . 61 LYS N . 11118 1 707 . 1 1 62 62 ASN H H 1 7.814 0.030 . 1 . . . . 62 ASN H . 11118 1 708 . 1 1 62 62 ASN HA H 1 5.795 0.030 . 1 . . . . 62 ASN HA . 11118 1 709 . 1 1 62 62 ASN HB2 H 1 2.480 0.030 . 1 . . . . 62 ASN HB2 . 11118 1 710 . 1 1 62 62 ASN HB3 H 1 2.480 0.030 . 1 . . . . 62 ASN HB3 . 11118 1 711 . 1 1 62 62 ASN HD21 H 1 6.997 0.030 . 2 . . . . 62 ASN HD21 . 11118 1 712 . 1 1 62 62 ASN HD22 H 1 6.726 0.030 . 2 . . . . 62 ASN HD22 . 11118 1 713 . 1 1 62 62 ASN C C 13 174.377 0.300 . 1 . . . . 62 ASN C . 11118 1 714 . 1 1 62 62 ASN CA C 13 52.286 0.300 . 1 . . . . 62 ASN CA . 11118 1 715 . 1 1 62 62 ASN CB C 13 43.305 0.300 . 1 . . . . 62 ASN CB . 11118 1 716 . 1 1 62 62 ASN N N 15 114.018 0.300 . 1 . . . . 62 ASN N . 11118 1 717 . 1 1 62 62 ASN ND2 N 15 112.050 0.300 . 1 . . . . 62 ASN ND2 . 11118 1 718 . 1 1 63 63 ALA H H 1 8.952 0.030 . 1 . . . . 63 ALA H . 11118 1 719 . 1 1 63 63 ALA HA H 1 4.591 0.030 . 1 . . . . 63 ALA HA . 11118 1 720 . 1 1 63 63 ALA HB1 H 1 1.461 0.030 . 1 . . . . 63 ALA HB . 11118 1 721 . 1 1 63 63 ALA HB2 H 1 1.461 0.030 . 1 . . . . 63 ALA HB . 11118 1 722 . 1 1 63 63 ALA HB3 H 1 1.461 0.030 . 1 . . . . 63 ALA HB . 11118 1 723 . 1 1 63 63 ALA C C 13 175.061 0.300 . 1 . . . . 63 ALA C . 11118 1 724 . 1 1 63 63 ALA CA C 13 52.264 0.300 . 1 . . . . 63 ALA CA . 11118 1 725 . 1 1 63 63 ALA CB C 13 23.886 0.300 . 1 . . . . 63 ALA CB . 11118 1 726 . 1 1 63 63 ALA N N 15 120.930 0.300 . 1 . . . . 63 ALA N . 11118 1 727 . 1 1 64 64 ASN H H 1 8.554 0.030 . 1 . . . . 64 ASN H . 11118 1 728 . 1 1 64 64 ASN HA H 1 6.180 0.030 . 1 . . . . 64 ASN HA . 11118 1 729 . 1 1 64 64 ASN HB2 H 1 2.689 0.030 . 1 . . . . 64 ASN HB2 . 11118 1 730 . 1 1 64 64 ASN HB3 H 1 2.689 0.030 . 1 . . . . 64 ASN HB3 . 11118 1 731 . 1 1 64 64 ASN HD21 H 1 7.480 0.030 . 2 . . . . 64 ASN HD21 . 11118 1 732 . 1 1 64 64 ASN C C 13 174.630 0.300 . 1 . . . . 64 ASN C . 11118 1 733 . 1 1 64 64 ASN CA C 13 51.719 0.300 . 1 . . . . 64 ASN CA . 11118 1 734 . 1 1 64 64 ASN CB C 13 41.050 0.300 . 1 . . . . 64 ASN CB . 11118 1 735 . 1 1 64 64 ASN N N 15 116.932 0.300 . 1 . . . . 64 ASN N . 11118 1 736 . 1 1 65 65 ALA H H 1 9.631 0.030 . 1 . . . . 65 ALA H . 11118 1 737 . 1 1 65 65 ALA HA H 1 5.193 0.030 . 1 . . . . 65 ALA HA . 11118 1 738 . 1 1 65 65 ALA HB1 H 1 1.998 0.030 . 1 . . . . 65 ALA HB . 11118 1 739 . 1 1 65 65 ALA HB2 H 1 1.998 0.030 . 1 . . . . 65 ALA HB . 11118 1 740 . 1 1 65 65 ALA HB3 H 1 1.998 0.030 . 1 . . . . 65 ALA HB . 11118 1 741 . 1 1 65 65 ALA C C 13 177.094 0.300 . 1 . . . . 65 ALA C . 11118 1 742 . 1 1 65 65 ALA CA C 13 51.819 0.300 . 1 . . . . 65 ALA CA . 11118 1 743 . 1 1 65 65 ALA CB C 13 23.838 0.300 . 1 . . . . 65 ALA CB . 11118 1 744 . 1 1 65 65 ALA N N 15 122.446 0.300 . 1 . . . . 65 ALA N . 11118 1 745 . 1 1 66 66 THR H H 1 9.207 0.030 . 1 . . . . 66 THR H . 11118 1 746 . 1 1 66 66 THR HA H 1 4.884 0.030 . 1 . . . . 66 THR HA . 11118 1 747 . 1 1 66 66 THR HB H 1 4.865 0.030 . 1 . . . . 66 THR HB . 11118 1 748 . 1 1 66 66 THR HG21 H 1 1.367 0.030 . 1 . . . . 66 THR HG2 . 11118 1 749 . 1 1 66 66 THR HG22 H 1 1.367 0.030 . 1 . . . . 66 THR HG2 . 11118 1 750 . 1 1 66 66 THR HG23 H 1 1.367 0.030 . 1 . . . . 66 THR HG2 . 11118 1 751 . 1 1 66 66 THR C C 13 173.444 0.300 . 1 . . . . 66 THR C . 11118 1 752 . 1 1 66 66 THR CA C 13 61.258 0.300 . 1 . . . . 66 THR CA . 11118 1 753 . 1 1 66 66 THR CB C 13 68.264 0.300 . 1 . . . . 66 THR CB . 11118 1 754 . 1 1 66 66 THR CG2 C 13 22.123 0.300 . 1 . . . . 66 THR CG2 . 11118 1 755 . 1 1 66 66 THR N N 15 111.881 0.300 . 1 . . . . 66 THR N . 11118 1 756 . 1 1 67 67 THR H H 1 7.658 0.030 . 1 . . . . 67 THR H . 11118 1 757 . 1 1 67 67 THR HA H 1 4.611 0.030 . 1 . . . . 67 THR HA . 11118 1 758 . 1 1 67 67 THR HB H 1 4.379 0.030 . 1 . . . . 67 THR HB . 11118 1 759 . 1 1 67 67 THR HG21 H 1 1.292 0.030 . 1 . . . . 67 THR HG2 . 11118 1 760 . 1 1 67 67 THR HG22 H 1 1.292 0.030 . 1 . . . . 67 THR HG2 . 11118 1 761 . 1 1 67 67 THR HG23 H 1 1.292 0.030 . 1 . . . . 67 THR HG2 . 11118 1 762 . 1 1 67 67 THR C C 13 172.233 0.300 . 1 . . . . 67 THR C . 11118 1 763 . 1 1 67 67 THR CA C 13 59.621 0.300 . 1 . . . . 67 THR CA . 11118 1 764 . 1 1 67 67 THR CB C 13 70.476 0.300 . 1 . . . . 67 THR CB . 11118 1 765 . 1 1 67 67 THR CG2 C 13 21.372 0.300 . 1 . . . . 67 THR CG2 . 11118 1 766 . 1 1 67 67 THR N N 15 112.867 0.300 . 1 . . . . 67 THR N . 11118 1 767 . 1 1 68 68 LEU H H 1 7.533 0.030 . 1 . . . . 68 LEU H . 11118 1 768 . 1 1 68 68 LEU HA H 1 3.301 0.030 . 1 . . . . 68 LEU HA . 11118 1 769 . 1 1 68 68 LEU HB2 H 1 1.407 0.030 . 2 . . . . 68 LEU HB2 . 11118 1 770 . 1 1 68 68 LEU HB3 H 1 1.002 0.030 . 2 . . . . 68 LEU HB3 . 11118 1 771 . 1 1 68 68 LEU HD11 H 1 0.895 0.030 . 1 . . . . 68 LEU HD1 . 11118 1 772 . 1 1 68 68 LEU HD12 H 1 0.895 0.030 . 1 . . . . 68 LEU HD1 . 11118 1 773 . 1 1 68 68 LEU HD13 H 1 0.895 0.030 . 1 . . . . 68 LEU HD1 . 11118 1 774 . 1 1 68 68 LEU HD21 H 1 0.562 0.030 . 1 . . . . 68 LEU HD2 . 11118 1 775 . 1 1 68 68 LEU HD22 H 1 0.562 0.030 . 1 . . . . 68 LEU HD2 . 11118 1 776 . 1 1 68 68 LEU HD23 H 1 0.562 0.030 . 1 . . . . 68 LEU HD2 . 11118 1 777 . 1 1 68 68 LEU HG H 1 1.283 0.030 . 1 . . . . 68 LEU HG . 11118 1 778 . 1 1 68 68 LEU C C 13 175.139 0.300 . 1 . . . . 68 LEU C . 11118 1 779 . 1 1 68 68 LEU CA C 13 54.625 0.300 . 1 . . . . 68 LEU CA . 11118 1 780 . 1 1 68 68 LEU CB C 13 38.078 0.300 . 1 . . . . 68 LEU CB . 11118 1 781 . 1 1 68 68 LEU CD1 C 13 26.397 0.300 . 2 . . . . 68 LEU CD1 . 11118 1 782 . 1 1 68 68 LEU CD2 C 13 24.321 0.300 . 2 . . . . 68 LEU CD2 . 11118 1 783 . 1 1 68 68 LEU CG C 13 27.849 0.300 . 1 . . . . 68 LEU CG . 11118 1 784 . 1 1 68 68 LEU N N 15 120.021 0.300 . 1 . . . . 68 LEU N . 11118 1 785 . 1 1 69 69 SER H H 1 6.839 0.030 . 1 . . . . 69 SER H . 11118 1 786 . 1 1 69 69 SER HA H 1 4.565 0.030 . 1 . . . . 69 SER HA . 11118 1 787 . 1 1 69 69 SER HB2 H 1 3.448 0.030 . 2 . . . . 69 SER HB2 . 11118 1 788 . 1 1 69 69 SER HB3 H 1 3.344 0.030 . 2 . . . . 69 SER HB3 . 11118 1 789 . 1 1 69 69 SER C C 13 173.165 0.300 . 1 . . . . 69 SER C . 11118 1 790 . 1 1 69 69 SER CA C 13 56.665 0.300 . 1 . . . . 69 SER CA . 11118 1 791 . 1 1 69 69 SER CB C 13 65.870 0.300 . 1 . . . . 69 SER CB . 11118 1 792 . 1 1 69 69 SER N N 15 110.238 0.300 . 1 . . . . 69 SER N . 11118 1 793 . 1 1 70 70 TYR H H 1 9.144 0.030 . 1 . . . . 70 TYR H . 11118 1 794 . 1 1 70 70 TYR HA H 1 4.472 0.030 . 1 . . . . 70 TYR HA . 11118 1 795 . 1 1 70 70 TYR HB2 H 1 3.374 0.030 . 2 . . . . 70 TYR HB2 . 11118 1 796 . 1 1 70 70 TYR HB3 H 1 2.637 0.030 . 2 . . . . 70 TYR HB3 . 11118 1 797 . 1 1 70 70 TYR HD1 H 1 6.954 0.030 . 1 . . . . 70 TYR HD1 . 11118 1 798 . 1 1 70 70 TYR HD2 H 1 6.954 0.030 . 1 . . . . 70 TYR HD2 . 11118 1 799 . 1 1 70 70 TYR HE1 H 1 6.759 0.030 . 1 . . . . 70 TYR HE1 . 11118 1 800 . 1 1 70 70 TYR HE2 H 1 6.759 0.030 . 1 . . . . 70 TYR HE2 . 11118 1 801 . 1 1 70 70 TYR C C 13 172.090 0.300 . 1 . . . . 70 TYR C . 11118 1 802 . 1 1 70 70 TYR CA C 13 59.408 0.300 . 1 . . . . 70 TYR CA . 11118 1 803 . 1 1 70 70 TYR CB C 13 43.382 0.300 . 1 . . . . 70 TYR CB . 11118 1 804 . 1 1 70 70 TYR CD1 C 13 131.989 0.300 . 1 . . . . 70 TYR CD1 . 11118 1 805 . 1 1 70 70 TYR CD2 C 13 131.989 0.300 . 1 . . . . 70 TYR CD2 . 11118 1 806 . 1 1 70 70 TYR CE1 C 13 119.019 0.300 . 1 . . . . 70 TYR CE1 . 11118 1 807 . 1 1 70 70 TYR CE2 C 13 119.019 0.300 . 1 . . . . 70 TYR CE2 . 11118 1 808 . 1 1 70 70 TYR N N 15 120.742 0.300 . 1 . . . . 70 TYR N . 11118 1 809 . 1 1 71 71 LEU H H 1 7.469 0.030 . 1 . . . . 71 LEU H . 11118 1 810 . 1 1 71 71 LEU HA H 1 4.170 0.030 . 1 . . . . 71 LEU HA . 11118 1 811 . 1 1 71 71 LEU HB2 H 1 1.332 0.030 . 2 . . . . 71 LEU HB2 . 11118 1 812 . 1 1 71 71 LEU HB3 H 1 0.980 0.030 . 2 . . . . 71 LEU HB3 . 11118 1 813 . 1 1 71 71 LEU HD21 H 1 0.505 0.030 . 1 . . . . 71 LEU HD2 . 11118 1 814 . 1 1 71 71 LEU HD22 H 1 0.505 0.030 . 1 . . . . 71 LEU HD2 . 11118 1 815 . 1 1 71 71 LEU HD23 H 1 0.505 0.030 . 1 . . . . 71 LEU HD2 . 11118 1 816 . 1 1 71 71 LEU C C 13 172.516 0.300 . 1 . . . . 71 LEU C . 11118 1 817 . 1 1 71 71 LEU CA C 13 53.826 0.300 . 1 . . . . 71 LEU CA . 11118 1 818 . 1 1 71 71 LEU CB C 13 42.796 0.300 . 1 . . . . 71 LEU CB . 11118 1 819 . 1 1 71 71 LEU CD2 C 13 24.444 0.300 . 2 . . . . 71 LEU CD2 . 11118 1 820 . 1 1 71 71 LEU CG C 13 26.702 0.300 . 1 . . . . 71 LEU CG . 11118 1 821 . 1 1 71 71 LEU N N 15 130.587 0.300 . 1 . . . . 71 LEU N . 11118 1 822 . 1 1 72 72 VAL H H 1 8.617 0.030 . 1 . . . . 72 VAL H . 11118 1 823 . 1 1 72 72 VAL HA H 1 3.559 0.030 . 1 . . . . 72 VAL HA . 11118 1 824 . 1 1 72 72 VAL HB H 1 1.689 0.030 . 1 . . . . 72 VAL HB . 11118 1 825 . 1 1 72 72 VAL HG11 H 1 0.353 0.030 . 1 . . . . 72 VAL HG1 . 11118 1 826 . 1 1 72 72 VAL HG12 H 1 0.353 0.030 . 1 . . . . 72 VAL HG1 . 11118 1 827 . 1 1 72 72 VAL HG13 H 1 0.353 0.030 . 1 . . . . 72 VAL HG1 . 11118 1 828 . 1 1 72 72 VAL HG21 H 1 -0.269 0.030 . 1 . . . . 72 VAL HG2 . 11118 1 829 . 1 1 72 72 VAL HG22 H 1 -0.269 0.030 . 1 . . . . 72 VAL HG2 . 11118 1 830 . 1 1 72 72 VAL HG23 H 1 -0.269 0.030 . 1 . . . . 72 VAL HG2 . 11118 1 831 . 1 1 72 72 VAL C C 13 174.607 0.300 . 1 . . . . 72 VAL C . 11118 1 832 . 1 1 72 72 VAL CA C 13 62.261 0.300 . 1 . . . . 72 VAL CA . 11118 1 833 . 1 1 72 72 VAL CB C 13 30.539 0.300 . 1 . . . . 72 VAL CB . 11118 1 834 . 1 1 72 72 VAL CG1 C 13 21.006 0.300 . 2 . . . . 72 VAL CG1 . 11118 1 835 . 1 1 72 72 VAL CG2 C 13 21.578 0.300 . 2 . . . . 72 VAL CG2 . 11118 1 836 . 1 1 72 72 VAL N N 15 128.717 0.300 . 1 . . . . 72 VAL N . 11118 1 837 . 1 1 73 73 THR H H 1 7.546 0.030 . 1 . . . . 73 THR H . 11118 1 838 . 1 1 73 73 THR HA H 1 5.115 0.030 . 1 . . . . 73 THR HA . 11118 1 839 . 1 1 73 73 THR HB H 1 4.197 0.030 . 1 . . . . 73 THR HB . 11118 1 840 . 1 1 73 73 THR HG21 H 1 0.903 0.030 . 1 . . . . 73 THR HG2 . 11118 1 841 . 1 1 73 73 THR HG22 H 1 0.903 0.030 . 1 . . . . 73 THR HG2 . 11118 1 842 . 1 1 73 73 THR HG23 H 1 0.903 0.030 . 1 . . . . 73 THR HG2 . 11118 1 843 . 1 1 73 73 THR C C 13 174.999 0.300 . 1 . . . . 73 THR C . 11118 1 844 . 1 1 73 73 THR CA C 13 59.485 0.300 . 1 . . . . 73 THR CA . 11118 1 845 . 1 1 73 73 THR CB C 13 71.115 0.300 . 1 . . . . 73 THR CB . 11118 1 846 . 1 1 73 73 THR CG2 C 13 20.889 0.300 . 1 . . . . 73 THR CG2 . 11118 1 847 . 1 1 73 73 THR N N 15 115.403 0.300 . 1 . . . . 73 THR N . 11118 1 848 . 1 1 74 74 GLY H H 1 8.231 0.030 . 1 . . . . 74 GLY H . 11118 1 849 . 1 1 74 74 GLY HA2 H 1 3.981 0.030 . 2 . . . . 74 GLY HA2 . 11118 1 850 . 1 1 74 74 GLY HA3 H 1 3.897 0.030 . 2 . . . . 74 GLY HA3 . 11118 1 851 . 1 1 74 74 GLY C C 13 175.476 0.300 . 1 . . . . 74 GLY C . 11118 1 852 . 1 1 74 74 GLY CA C 13 46.329 0.300 . 1 . . . . 74 GLY CA . 11118 1 853 . 1 1 74 74 GLY N N 15 106.297 0.300 . 1 . . . . 74 GLY N . 11118 1 854 . 1 1 75 75 LEU H H 1 8.282 0.030 . 1 . . . . 75 LEU H . 11118 1 855 . 1 1 75 75 LEU HA H 1 4.248 0.030 . 1 . . . . 75 LEU HA . 11118 1 856 . 1 1 75 75 LEU HB2 H 1 1.367 0.030 . 2 . . . . 75 LEU HB2 . 11118 1 857 . 1 1 75 75 LEU HB3 H 1 1.054 0.030 . 2 . . . . 75 LEU HB3 . 11118 1 858 . 1 1 75 75 LEU HD11 H 1 -0.005 0.030 . 1 . . . . 75 LEU HD1 . 11118 1 859 . 1 1 75 75 LEU HD12 H 1 -0.005 0.030 . 1 . . . . 75 LEU HD1 . 11118 1 860 . 1 1 75 75 LEU HD13 H 1 -0.005 0.030 . 1 . . . . 75 LEU HD1 . 11118 1 861 . 1 1 75 75 LEU HD21 H 1 -0.052 0.030 . 1 . . . . 75 LEU HD2 . 11118 1 862 . 1 1 75 75 LEU HD22 H 1 -0.052 0.030 . 1 . . . . 75 LEU HD2 . 11118 1 863 . 1 1 75 75 LEU HD23 H 1 -0.052 0.030 . 1 . . . . 75 LEU HD2 . 11118 1 864 . 1 1 75 75 LEU HG H 1 0.915 0.030 . 1 . . . . 75 LEU HG . 11118 1 865 . 1 1 75 75 LEU C C 13 175.153 0.300 . 1 . . . . 75 LEU C . 11118 1 866 . 1 1 75 75 LEU CA C 13 53.753 0.300 . 1 . . . . 75 LEU CA . 11118 1 867 . 1 1 75 75 LEU CB C 13 41.034 0.300 . 1 . . . . 75 LEU CB . 11118 1 868 . 1 1 75 75 LEU CD1 C 13 24.674 0.300 . 2 . . . . 75 LEU CD1 . 11118 1 869 . 1 1 75 75 LEU CD2 C 13 19.093 0.300 . 2 . . . . 75 LEU CD2 . 11118 1 870 . 1 1 75 75 LEU CG C 13 25.811 0.300 . 1 . . . . 75 LEU CG . 11118 1 871 . 1 1 75 75 LEU N N 15 119.805 0.300 . 1 . . . . 75 LEU N . 11118 1 872 . 1 1 76 76 LYS H H 1 8.400 0.030 . 1 . . . . 76 LYS H . 11118 1 873 . 1 1 76 76 LYS HA H 1 4.734 0.030 . 1 . . . . 76 LYS HA . 11118 1 874 . 1 1 76 76 LYS HB2 H 1 1.881 0.030 . 1 . . . . 76 LYS HB2 . 11118 1 875 . 1 1 76 76 LYS HB3 H 1 1.881 0.030 . 1 . . . . 76 LYS HB3 . 11118 1 876 . 1 1 76 76 LYS HD2 H 1 1.749 0.030 . 1 . . . . 76 LYS HD2 . 11118 1 877 . 1 1 76 76 LYS HD3 H 1 1.749 0.030 . 1 . . . . 76 LYS HD3 . 11118 1 878 . 1 1 76 76 LYS HE2 H 1 3.063 0.030 . 2 . . . . 76 LYS HE2 . 11118 1 879 . 1 1 76 76 LYS HG2 H 1 1.600 0.030 . 2 . . . . 76 LYS HG2 . 11118 1 880 . 1 1 76 76 LYS HG3 H 1 1.687 0.030 . 2 . . . . 76 LYS HG3 . 11118 1 881 . 1 1 76 76 LYS C C 13 174.735 0.300 . 1 . . . . 76 LYS C . 11118 1 882 . 1 1 76 76 LYS CA C 13 53.760 0.300 . 1 . . . . 76 LYS CA . 11118 1 883 . 1 1 76 76 LYS CB C 13 33.296 0.300 . 1 . . . . 76 LYS CB . 11118 1 884 . 1 1 76 76 LYS CD C 13 29.293 0.300 . 1 . . . . 76 LYS CD . 11118 1 885 . 1 1 76 76 LYS CE C 13 42.313 0.300 . 1 . . . . 76 LYS CE . 11118 1 886 . 1 1 76 76 LYS CG C 13 24.938 0.300 . 1 . . . . 76 LYS CG . 11118 1 887 . 1 1 76 76 LYS N N 15 120.128 0.300 . 1 . . . . 76 LYS N . 11118 1 888 . 1 1 77 77 PRO HA H 1 5.335 0.030 . 1 . . . . 77 PRO HA . 11118 1 889 . 1 1 77 77 PRO HB2 H 1 2.602 0.030 . 2 . . . . 77 PRO HB2 . 11118 1 890 . 1 1 77 77 PRO HB3 H 1 2.058 0.030 . 2 . . . . 77 PRO HB3 . 11118 1 891 . 1 1 77 77 PRO HD2 H 1 3.664 0.030 . 2 . . . . 77 PRO HD2 . 11118 1 892 . 1 1 77 77 PRO HD3 H 1 4.129 0.030 . 2 . . . . 77 PRO HD3 . 11118 1 893 . 1 1 77 77 PRO HG2 H 1 2.171 0.030 . 2 . . . . 77 PRO HG2 . 11118 1 894 . 1 1 77 77 PRO HG3 H 1 2.077 0.030 . 2 . . . . 77 PRO HG3 . 11118 1 895 . 1 1 77 77 PRO C C 13 178.474 0.300 . 1 . . . . 77 PRO C . 11118 1 896 . 1 1 77 77 PRO CA C 13 62.982 0.300 . 1 . . . . 77 PRO CA . 11118 1 897 . 1 1 77 77 PRO CB C 13 33.371 0.300 . 1 . . . . 77 PRO CB . 11118 1 898 . 1 1 77 77 PRO CD C 13 51.033 0.300 . 1 . . . . 77 PRO CD . 11118 1 899 . 1 1 77 77 PRO CG C 13 27.852 0.300 . 1 . . . . 77 PRO CG . 11118 1 900 . 1 1 78 78 ASN H H 1 7.781 0.030 . 1 . . . . 78 ASN H . 11118 1 901 . 1 1 78 78 ASN HA H 1 4.552 0.030 . 1 . . . . 78 ASN HA . 11118 1 902 . 1 1 78 78 ASN HB2 H 1 3.162 0.030 . 2 . . . . 78 ASN HB2 . 11118 1 903 . 1 1 78 78 ASN HB3 H 1 2.115 0.030 . 2 . . . . 78 ASN HB3 . 11118 1 904 . 1 1 78 78 ASN HD21 H 1 7.522 0.030 . 2 . . . . 78 ASN HD21 . 11118 1 905 . 1 1 78 78 ASN HD22 H 1 6.736 0.030 . 2 . . . . 78 ASN HD22 . 11118 1 906 . 1 1 78 78 ASN C C 13 174.373 0.300 . 1 . . . . 78 ASN C . 11118 1 907 . 1 1 78 78 ASN CA C 13 53.091 0.300 . 1 . . . . 78 ASN CA . 11118 1 908 . 1 1 78 78 ASN CB C 13 38.986 0.300 . 1 . . . . 78 ASN CB . 11118 1 909 . 1 1 78 78 ASN N N 15 125.483 0.300 . 1 . . . . 78 ASN N . 11118 1 910 . 1 1 78 78 ASN ND2 N 15 110.148 0.300 . 1 . . . . 78 ASN ND2 . 11118 1 911 . 1 1 79 79 THR H H 1 8.291 0.030 . 1 . . . . 79 THR H . 11118 1 912 . 1 1 79 79 THR HA H 1 4.419 0.030 . 1 . . . . 79 THR HA . 11118 1 913 . 1 1 79 79 THR HB H 1 3.958 0.030 . 1 . . . . 79 THR HB . 11118 1 914 . 1 1 79 79 THR HG21 H 1 0.710 0.030 . 1 . . . . 79 THR HG2 . 11118 1 915 . 1 1 79 79 THR HG22 H 1 0.710 0.030 . 1 . . . . 79 THR HG2 . 11118 1 916 . 1 1 79 79 THR HG23 H 1 0.710 0.030 . 1 . . . . 79 THR HG2 . 11118 1 917 . 1 1 79 79 THR C C 13 170.845 0.300 . 1 . . . . 79 THR C . 11118 1 918 . 1 1 79 79 THR CA C 13 63.099 0.300 . 1 . . . . 79 THR CA . 11118 1 919 . 1 1 79 79 THR CB C 13 71.760 0.300 . 1 . . . . 79 THR CB . 11118 1 920 . 1 1 79 79 THR CG2 C 13 20.810 0.300 . 1 . . . . 79 THR CG2 . 11118 1 921 . 1 1 79 79 THR N N 15 114.766 0.300 . 1 . . . . 79 THR N . 11118 1 922 . 1 1 80 80 LEU H H 1 8.122 0.030 . 1 . . . . 80 LEU H . 11118 1 923 . 1 1 80 80 LEU HA H 1 4.730 0.030 . 1 . . . . 80 LEU HA . 11118 1 924 . 1 1 80 80 LEU HB2 H 1 1.656 0.030 . 2 . . . . 80 LEU HB2 . 11118 1 925 . 1 1 80 80 LEU HB3 H 1 1.447 0.030 . 2 . . . . 80 LEU HB3 . 11118 1 926 . 1 1 80 80 LEU HD11 H 1 0.694 0.030 . 1 . . . . 80 LEU HD1 . 11118 1 927 . 1 1 80 80 LEU HD12 H 1 0.694 0.030 . 1 . . . . 80 LEU HD1 . 11118 1 928 . 1 1 80 80 LEU HD13 H 1 0.694 0.030 . 1 . . . . 80 LEU HD1 . 11118 1 929 . 1 1 80 80 LEU HD21 H 1 0.841 0.030 . 1 . . . . 80 LEU HD2 . 11118 1 930 . 1 1 80 80 LEU HD22 H 1 0.841 0.030 . 1 . . . . 80 LEU HD2 . 11118 1 931 . 1 1 80 80 LEU HD23 H 1 0.841 0.030 . 1 . . . . 80 LEU HD2 . 11118 1 932 . 1 1 80 80 LEU HG H 1 1.284 0.030 . 1 . . . . 80 LEU HG . 11118 1 933 . 1 1 80 80 LEU C C 13 175.475 0.300 . 1 . . . . 80 LEU C . 11118 1 934 . 1 1 80 80 LEU CA C 13 55.309 0.300 . 1 . . . . 80 LEU CA . 11118 1 935 . 1 1 80 80 LEU CB C 13 42.341 0.300 . 1 . . . . 80 LEU CB . 11118 1 936 . 1 1 80 80 LEU CD1 C 13 25.863 0.300 . 2 . . . . 80 LEU CD1 . 11118 1 937 . 1 1 80 80 LEU CD2 C 13 24.240 0.300 . 2 . . . . 80 LEU CD2 . 11118 1 938 . 1 1 80 80 LEU CG C 13 27.727 0.300 . 1 . . . . 80 LEU CG . 11118 1 939 . 1 1 80 80 LEU N N 15 128.056 0.300 . 1 . . . . 80 LEU N . 11118 1 940 . 1 1 81 81 TYR H H 1 9.452 0.030 . 1 . . . . 81 TYR H . 11118 1 941 . 1 1 81 81 TYR HA H 1 4.801 0.030 . 1 . . . . 81 TYR HA . 11118 1 942 . 1 1 81 81 TYR HB2 H 1 2.707 0.030 . 2 . . . . 81 TYR HB2 . 11118 1 943 . 1 1 81 81 TYR HB3 H 1 2.095 0.030 . 2 . . . . 81 TYR HB3 . 11118 1 944 . 1 1 81 81 TYR HE1 H 1 6.907 0.030 . 1 . . . . 81 TYR HE1 . 11118 1 945 . 1 1 81 81 TYR HE2 H 1 6.907 0.030 . 1 . . . . 81 TYR HE2 . 11118 1 946 . 1 1 81 81 TYR C C 13 173.569 0.300 . 1 . . . . 81 TYR C . 11118 1 947 . 1 1 81 81 TYR CA C 13 58.019 0.300 . 1 . . . . 81 TYR CA . 11118 1 948 . 1 1 81 81 TYR CB C 13 44.525 0.300 . 1 . . . . 81 TYR CB . 11118 1 949 . 1 1 81 81 TYR CE1 C 13 119.095 0.300 . 1 . . . . 81 TYR CE1 . 11118 1 950 . 1 1 81 81 TYR CE2 C 13 119.095 0.300 . 1 . . . . 81 TYR CE2 . 11118 1 951 . 1 1 81 81 TYR N N 15 128.151 0.300 . 1 . . . . 81 TYR N . 11118 1 952 . 1 1 82 82 GLU H H 1 8.420 0.030 . 1 . . . . 82 GLU H . 11118 1 953 . 1 1 82 82 GLU HA H 1 4.923 0.030 . 1 . . . . 82 GLU HA . 11118 1 954 . 1 1 82 82 GLU HB2 H 1 1.847 0.030 . 2 . . . . 82 GLU HB2 . 11118 1 955 . 1 1 82 82 GLU HG2 H 1 2.013 0.030 . 2 . . . . 82 GLU HG2 . 11118 1 956 . 1 1 82 82 GLU HG3 H 1 2.042 0.030 . 2 . . . . 82 GLU HG3 . 11118 1 957 . 1 1 82 82 GLU C C 13 174.889 0.300 . 1 . . . . 82 GLU C . 11118 1 958 . 1 1 82 82 GLU CA C 13 53.883 0.300 . 1 . . . . 82 GLU CA . 11118 1 959 . 1 1 82 82 GLU CB C 13 33.316 0.300 . 1 . . . . 82 GLU CB . 11118 1 960 . 1 1 82 82 GLU CG C 13 36.899 0.300 . 1 . . . . 82 GLU CG . 11118 1 961 . 1 1 82 82 GLU N N 15 117.374 0.300 . 1 . . . . 82 GLU N . 11118 1 962 . 1 1 83 83 PHE H H 1 9.100 0.030 . 1 . . . . 83 PHE H . 11118 1 963 . 1 1 83 83 PHE HA H 1 5.968 0.030 . 1 . . . . 83 PHE HA . 11118 1 964 . 1 1 83 83 PHE HB2 H 1 2.877 0.030 . 2 . . . . 83 PHE HB2 . 11118 1 965 . 1 1 83 83 PHE HB3 H 1 2.722 0.030 . 2 . . . . 83 PHE HB3 . 11118 1 966 . 1 1 83 83 PHE HD1 H 1 7.085 0.030 . 1 . . . . 83 PHE HD1 . 11118 1 967 . 1 1 83 83 PHE HD2 H 1 7.085 0.030 . 1 . . . . 83 PHE HD2 . 11118 1 968 . 1 1 83 83 PHE HE1 H 1 6.741 0.030 . 1 . . . . 83 PHE HE1 . 11118 1 969 . 1 1 83 83 PHE HE2 H 1 6.741 0.030 . 1 . . . . 83 PHE HE2 . 11118 1 970 . 1 1 83 83 PHE HZ H 1 6.587 0.030 . 1 . . . . 83 PHE HZ . 11118 1 971 . 1 1 83 83 PHE C C 13 175.424 0.300 . 1 . . . . 83 PHE C . 11118 1 972 . 1 1 83 83 PHE CA C 13 56.893 0.300 . 1 . . . . 83 PHE CA . 11118 1 973 . 1 1 83 83 PHE CB C 13 44.138 0.300 . 1 . . . . 83 PHE CB . 11118 1 974 . 1 1 83 83 PHE CD1 C 13 132.892 0.300 . 1 . . . . 83 PHE CD1 . 11118 1 975 . 1 1 83 83 PHE CD2 C 13 132.892 0.300 . 1 . . . . 83 PHE CD2 . 11118 1 976 . 1 1 83 83 PHE CE1 C 13 130.687 0.300 . 1 . . . . 83 PHE CE1 . 11118 1 977 . 1 1 83 83 PHE CE2 C 13 130.687 0.300 . 1 . . . . 83 PHE CE2 . 11118 1 978 . 1 1 83 83 PHE CZ C 13 128.930 0.300 . 1 . . . . 83 PHE CZ . 11118 1 979 . 1 1 83 83 PHE N N 15 119.414 0.300 . 1 . . . . 83 PHE N . 11118 1 980 . 1 1 84 84 SER H H 1 8.651 0.030 . 1 . . . . 84 SER H . 11118 1 981 . 1 1 84 84 SER HA H 1 4.479 0.030 . 1 . . . . 84 SER HA . 11118 1 982 . 1 1 84 84 SER HB2 H 1 4.086 0.030 . 2 . . . . 84 SER HB2 . 11118 1 983 . 1 1 84 84 SER HB3 H 1 3.973 0.030 . 2 . . . . 84 SER HB3 . 11118 1 984 . 1 1 84 84 SER C C 13 172.748 0.300 . 1 . . . . 84 SER C . 11118 1 985 . 1 1 84 84 SER CA C 13 58.389 0.300 . 1 . . . . 84 SER CA . 11118 1 986 . 1 1 84 84 SER CB C 13 65.491 0.300 . 1 . . . . 84 SER CB . 11118 1 987 . 1 1 84 84 SER N N 15 110.168 0.300 . 1 . . . . 84 SER N . 11118 1 988 . 1 1 85 85 VAL H H 1 8.918 0.030 . 1 . . . . 85 VAL H . 11118 1 989 . 1 1 85 85 VAL HA H 1 5.593 0.030 . 1 . . . . 85 VAL HA . 11118 1 990 . 1 1 85 85 VAL HB H 1 1.071 0.030 . 1 . . . . 85 VAL HB . 11118 1 991 . 1 1 85 85 VAL HG11 H 1 -0.213 0.030 . 1 . . . . 85 VAL HG1 . 11118 1 992 . 1 1 85 85 VAL HG12 H 1 -0.213 0.030 . 1 . . . . 85 VAL HG1 . 11118 1 993 . 1 1 85 85 VAL HG13 H 1 -0.213 0.030 . 1 . . . . 85 VAL HG1 . 11118 1 994 . 1 1 85 85 VAL HG21 H 1 0.305 0.030 . 1 . . . . 85 VAL HG2 . 11118 1 995 . 1 1 85 85 VAL HG22 H 1 0.305 0.030 . 1 . . . . 85 VAL HG2 . 11118 1 996 . 1 1 85 85 VAL HG23 H 1 0.305 0.030 . 1 . . . . 85 VAL HG2 . 11118 1 997 . 1 1 85 85 VAL C C 13 174.115 0.300 . 1 . . . . 85 VAL C . 11118 1 998 . 1 1 85 85 VAL CA C 13 60.827 0.300 . 1 . . . . 85 VAL CA . 11118 1 999 . 1 1 85 85 VAL CB C 13 36.499 0.300 . 1 . . . . 85 VAL CB . 11118 1 1000 . 1 1 85 85 VAL CG1 C 13 20.158 0.300 . 2 . . . . 85 VAL CG1 . 11118 1 1001 . 1 1 85 85 VAL CG2 C 13 21.619 0.300 . 2 . . . . 85 VAL CG2 . 11118 1 1002 . 1 1 85 85 VAL N N 15 118.537 0.300 . 1 . . . . 85 VAL N . 11118 1 1003 . 1 1 86 86 MET H H 1 8.781 0.030 . 1 . . . . 86 MET H . 11118 1 1004 . 1 1 86 86 MET HA H 1 4.527 0.030 . 1 . . . . 86 MET HA . 11118 1 1005 . 1 1 86 86 MET HB2 H 1 1.180 0.030 . 2 . . . . 86 MET HB2 . 11118 1 1006 . 1 1 86 86 MET HB3 H 1 0.365 0.030 . 2 . . . . 86 MET HB3 . 11118 1 1007 . 1 1 86 86 MET HE1 H 1 1.533 0.030 . 1 . . . . 86 MET HE . 11118 1 1008 . 1 1 86 86 MET HE2 H 1 1.533 0.030 . 1 . . . . 86 MET HE . 11118 1 1009 . 1 1 86 86 MET HE3 H 1 1.533 0.030 . 1 . . . . 86 MET HE . 11118 1 1010 . 1 1 86 86 MET HG2 H 1 1.613 0.030 . 2 . . . . 86 MET HG2 . 11118 1 1011 . 1 1 86 86 MET HG3 H 1 1.325 0.030 . 2 . . . . 86 MET HG3 . 11118 1 1012 . 1 1 86 86 MET C C 13 172.645 0.300 . 1 . . . . 86 MET C . 11118 1 1013 . 1 1 86 86 MET CA C 13 54.263 0.300 . 1 . . . . 86 MET CA . 11118 1 1014 . 1 1 86 86 MET CB C 13 35.850 0.300 . 1 . . . . 86 MET CB . 11118 1 1015 . 1 1 86 86 MET CE C 13 16.764 0.300 . 1 . . . . 86 MET CE . 11118 1 1016 . 1 1 86 86 MET CG C 13 29.877 0.300 . 1 . . . . 86 MET CG . 11118 1 1017 . 1 1 86 86 MET N N 15 124.504 0.300 . 1 . . . . 86 MET N . 11118 1 1018 . 1 1 87 87 VAL H H 1 8.176 0.030 . 1 . . . . 87 VAL H . 11118 1 1019 . 1 1 87 87 VAL HA H 1 4.706 0.030 . 1 . . . . 87 VAL HA . 11118 1 1020 . 1 1 87 87 VAL HB H 1 1.750 0.030 . 1 . . . . 87 VAL HB . 11118 1 1021 . 1 1 87 87 VAL HG11 H 1 0.887 0.030 . 1 . . . . 87 VAL HG1 . 11118 1 1022 . 1 1 87 87 VAL HG12 H 1 0.887 0.030 . 1 . . . . 87 VAL HG1 . 11118 1 1023 . 1 1 87 87 VAL HG13 H 1 0.887 0.030 . 1 . . . . 87 VAL HG1 . 11118 1 1024 . 1 1 87 87 VAL HG21 H 1 0.383 0.030 . 1 . . . . 87 VAL HG2 . 11118 1 1025 . 1 1 87 87 VAL HG22 H 1 0.383 0.030 . 1 . . . . 87 VAL HG2 . 11118 1 1026 . 1 1 87 87 VAL HG23 H 1 0.383 0.030 . 1 . . . . 87 VAL HG2 . 11118 1 1027 . 1 1 87 87 VAL C C 13 170.620 0.300 . 1 . . . . 87 VAL C . 11118 1 1028 . 1 1 87 87 VAL CA C 13 59.269 0.300 . 1 . . . . 87 VAL CA . 11118 1 1029 . 1 1 87 87 VAL CB C 13 36.441 0.300 . 1 . . . . 87 VAL CB . 11118 1 1030 . 1 1 87 87 VAL CG1 C 13 18.519 0.300 . 2 . . . . 87 VAL CG1 . 11118 1 1031 . 1 1 87 87 VAL CG2 C 13 22.967 0.300 . 2 . . . . 87 VAL CG2 . 11118 1 1032 . 1 1 87 87 VAL N N 15 119.395 0.300 . 1 . . . . 87 VAL N . 11118 1 1033 . 1 1 88 88 THR H H 1 7.796 0.030 . 1 . . . . 88 THR H . 11118 1 1034 . 1 1 88 88 THR HA H 1 4.384 0.030 . 1 . . . . 88 THR HA . 11118 1 1035 . 1 1 88 88 THR HB H 1 2.207 0.030 . 1 . . . . 88 THR HB . 11118 1 1036 . 1 1 88 88 THR HG21 H 1 0.861 0.030 . 1 . . . . 88 THR HG2 . 11118 1 1037 . 1 1 88 88 THR HG22 H 1 0.861 0.030 . 1 . . . . 88 THR HG2 . 11118 1 1038 . 1 1 88 88 THR HG23 H 1 0.861 0.030 . 1 . . . . 88 THR HG2 . 11118 1 1039 . 1 1 88 88 THR C C 13 172.319 0.300 . 1 . . . . 88 THR C . 11118 1 1040 . 1 1 88 88 THR CA C 13 61.911 0.300 . 1 . . . . 88 THR CA . 11118 1 1041 . 1 1 88 88 THR CB C 13 71.238 0.300 . 1 . . . . 88 THR CB . 11118 1 1042 . 1 1 88 88 THR CG2 C 13 20.692 0.300 . 1 . . . . 88 THR CG2 . 11118 1 1043 . 1 1 88 88 THR N N 15 122.181 0.300 . 1 . . . . 88 THR N . 11118 1 1044 . 1 1 89 89 LYS H H 1 8.648 0.030 . 1 . . . . 89 LYS H . 11118 1 1045 . 1 1 89 89 LYS HA H 1 4.134 0.030 . 1 . . . . 89 LYS HA . 11118 1 1046 . 1 1 89 89 LYS HB2 H 1 1.773 0.030 . 2 . . . . 89 LYS HB2 . 11118 1 1047 . 1 1 89 89 LYS HB3 H 1 1.121 0.030 . 2 . . . . 89 LYS HB3 . 11118 1 1048 . 1 1 89 89 LYS HD2 H 1 1.577 0.030 . 2 . . . . 89 LYS HD2 . 11118 1 1049 . 1 1 89 89 LYS HD3 H 1 1.444 0.030 . 2 . . . . 89 LYS HD3 . 11118 1 1050 . 1 1 89 89 LYS HE2 H 1 2.898 0.030 . 2 . . . . 89 LYS HE2 . 11118 1 1051 . 1 1 89 89 LYS HE3 H 1 2.880 0.030 . 2 . . . . 89 LYS HE3 . 11118 1 1052 . 1 1 89 89 LYS HG2 H 1 1.123 0.030 . 2 . . . . 89 LYS HG2 . 11118 1 1053 . 1 1 89 89 LYS HG3 H 1 1.044 0.030 . 2 . . . . 89 LYS HG3 . 11118 1 1054 . 1 1 89 89 LYS C C 13 175.779 0.300 . 1 . . . . 89 LYS C . 11118 1 1055 . 1 1 89 89 LYS CA C 13 56.331 0.300 . 1 . . . . 89 LYS CA . 11118 1 1056 . 1 1 89 89 LYS CB C 13 34.755 0.300 . 1 . . . . 89 LYS CB . 11118 1 1057 . 1 1 89 89 LYS CD C 13 29.767 0.300 . 1 . . . . 89 LYS CD . 11118 1 1058 . 1 1 89 89 LYS CE C 13 42.048 0.300 . 1 . . . . 89 LYS CE . 11118 1 1059 . 1 1 89 89 LYS CG C 13 25.026 0.300 . 1 . . . . 89 LYS CG . 11118 1 1060 . 1 1 89 89 LYS N N 15 125.528 0.300 . 1 . . . . 89 LYS N . 11118 1 1061 . 1 1 90 90 GLY H H 1 8.901 0.030 . 1 . . . . 90 GLY H . 11118 1 1062 . 1 1 90 90 GLY HA2 H 1 3.630 0.030 . 2 . . . . 90 GLY HA2 . 11118 1 1063 . 1 1 90 90 GLY HA3 H 1 3.940 0.030 . 2 . . . . 90 GLY HA3 . 11118 1 1064 . 1 1 90 90 GLY CA C 13 47.121 0.300 . 1 . . . . 90 GLY CA . 11118 1 1065 . 1 1 91 91 ARG H H 1 9.159 0.030 . 1 . . . . 91 ARG H . 11118 1 1066 . 1 1 91 91 ARG HA H 1 4.264 0.030 . 1 . . . . 91 ARG HA . 11118 1 1067 . 1 1 91 91 ARG HB2 H 1 2.051 0.030 . 2 . . . . 91 ARG HB2 . 11118 1 1068 . 1 1 91 91 ARG HB3 H 1 1.710 0.030 . 2 . . . . 91 ARG HB3 . 11118 1 1069 . 1 1 91 91 ARG HD2 H 1 3.183 0.030 . 1 . . . . 91 ARG HD2 . 11118 1 1070 . 1 1 91 91 ARG HD3 H 1 3.183 0.030 . 1 . . . . 91 ARG HD3 . 11118 1 1071 . 1 1 91 91 ARG HG2 H 1 1.648 0.030 . 1 . . . . 91 ARG HG2 . 11118 1 1072 . 1 1 91 91 ARG HG3 H 1 1.648 0.030 . 1 . . . . 91 ARG HG3 . 11118 1 1073 . 1 1 91 91 ARG C C 13 175.803 0.300 . 1 . . . . 91 ARG C . 11118 1 1074 . 1 1 91 91 ARG CA C 13 56.104 0.300 . 1 . . . . 91 ARG CA . 11118 1 1075 . 1 1 91 91 ARG CB C 13 29.989 0.300 . 1 . . . . 91 ARG CB . 11118 1 1076 . 1 1 91 91 ARG CD C 13 43.161 0.300 . 1 . . . . 91 ARG CD . 11118 1 1077 . 1 1 91 91 ARG CG C 13 27.265 0.300 . 1 . . . . 91 ARG CG . 11118 1 1078 . 1 1 92 92 ARG H H 1 7.890 0.030 . 1 . . . . 92 ARG H . 11118 1 1079 . 1 1 92 92 ARG HA H 1 4.632 0.030 . 1 . . . . 92 ARG HA . 11118 1 1080 . 1 1 92 92 ARG HB2 H 1 1.848 0.030 . 2 . . . . 92 ARG HB2 . 11118 1 1081 . 1 1 92 92 ARG HB3 H 1 1.756 0.030 . 2 . . . . 92 ARG HB3 . 11118 1 1082 . 1 1 92 92 ARG HD2 H 1 3.252 0.030 . 2 . . . . 92 ARG HD2 . 11118 1 1083 . 1 1 92 92 ARG HD3 H 1 3.129 0.030 . 2 . . . . 92 ARG HD3 . 11118 1 1084 . 1 1 92 92 ARG HG2 H 1 1.692 0.030 . 2 . . . . 92 ARG HG2 . 11118 1 1085 . 1 1 92 92 ARG HG3 H 1 1.524 0.030 . 2 . . . . 92 ARG HG3 . 11118 1 1086 . 1 1 92 92 ARG C C 13 174.213 0.300 . 1 . . . . 92 ARG C . 11118 1 1087 . 1 1 92 92 ARG CA C 13 55.063 0.300 . 1 . . . . 92 ARG CA . 11118 1 1088 . 1 1 92 92 ARG CB C 13 32.954 0.300 . 1 . . . . 92 ARG CB . 11118 1 1089 . 1 1 92 92 ARG CD C 13 43.976 0.300 . 1 . . . . 92 ARG CD . 11118 1 1090 . 1 1 92 92 ARG CG C 13 27.216 0.300 . 1 . . . . 92 ARG CG . 11118 1 1091 . 1 1 92 92 ARG N N 15 120.275 0.300 . 1 . . . . 92 ARG N . 11118 1 1092 . 1 1 93 93 SER H H 1 8.292 0.030 . 1 . . . . 93 SER H . 11118 1 1093 . 1 1 93 93 SER HA H 1 5.171 0.030 . 1 . . . . 93 SER HA . 11118 1 1094 . 1 1 93 93 SER HB2 H 1 3.796 0.030 . 2 . . . . 93 SER HB2 . 11118 1 1095 . 1 1 93 93 SER HB3 H 1 3.530 0.030 . 2 . . . . 93 SER HB3 . 11118 1 1096 . 1 1 93 93 SER C C 13 174.445 0.300 . 1 . . . . 93 SER C . 11118 1 1097 . 1 1 93 93 SER CA C 13 57.309 0.300 . 1 . . . . 93 SER CA . 11118 1 1098 . 1 1 93 93 SER CB C 13 66.537 0.300 . 1 . . . . 93 SER CB . 11118 1 1099 . 1 1 93 93 SER N N 15 113.128 0.300 . 1 . . . . 93 SER N . 11118 1 1100 . 1 1 94 94 SER H H 1 8.946 0.030 . 1 . . . . 94 SER H . 11118 1 1101 . 1 1 94 94 SER HA H 1 4.837 0.030 . 1 . . . . 94 SER HA . 11118 1 1102 . 1 1 94 94 SER HB2 H 1 3.809 0.030 . 2 . . . . 94 SER HB2 . 11118 1 1103 . 1 1 94 94 SER HB3 H 1 3.267 0.030 . 2 . . . . 94 SER HB3 . 11118 1 1104 . 1 1 94 94 SER C C 13 174.554 0.300 . 1 . . . . 94 SER C . 11118 1 1105 . 1 1 94 94 SER CA C 13 56.876 0.300 . 1 . . . . 94 SER CA . 11118 1 1106 . 1 1 94 94 SER CB C 13 67.945 0.300 . 1 . . . . 94 SER CB . 11118 1 1107 . 1 1 94 94 SER N N 15 117.747 0.300 . 1 . . . . 94 SER N . 11118 1 1108 . 1 1 95 95 THR H H 1 7.905 0.030 . 1 . . . . 95 THR H . 11118 1 1109 . 1 1 95 95 THR HA H 1 4.324 0.030 . 1 . . . . 95 THR HA . 11118 1 1110 . 1 1 95 95 THR HB H 1 4.453 0.030 . 1 . . . . 95 THR HB . 11118 1 1111 . 1 1 95 95 THR HG21 H 1 1.298 0.030 . 1 . . . . 95 THR HG2 . 11118 1 1112 . 1 1 95 95 THR HG22 H 1 1.298 0.030 . 1 . . . . 95 THR HG2 . 11118 1 1113 . 1 1 95 95 THR HG23 H 1 1.298 0.030 . 1 . . . . 95 THR HG2 . 11118 1 1114 . 1 1 95 95 THR C C 13 174.656 0.300 . 1 . . . . 95 THR C . 11118 1 1115 . 1 1 95 95 THR CA C 13 60.871 0.300 . 1 . . . . 95 THR CA . 11118 1 1116 . 1 1 95 95 THR CB C 13 69.440 0.300 . 1 . . . . 95 THR CB . 11118 1 1117 . 1 1 95 95 THR CG2 C 13 20.623 0.300 . 1 . . . . 95 THR CG2 . 11118 1 1118 . 1 1 95 95 THR N N 15 109.033 0.300 . 1 . . . . 95 THR N . 11118 1 1119 . 1 1 96 96 TRP H H 1 7.725 0.030 . 1 . . . . 96 TRP H . 11118 1 1120 . 1 1 96 96 TRP HA H 1 4.234 0.030 . 1 . . . . 96 TRP HA . 11118 1 1121 . 1 1 96 96 TRP HB2 H 1 3.215 0.030 . 2 . . . . 96 TRP HB2 . 11118 1 1122 . 1 1 96 96 TRP HB3 H 1 2.929 0.030 . 2 . . . . 96 TRP HB3 . 11118 1 1123 . 1 1 96 96 TRP HD1 H 1 7.174 0.030 . 1 . . . . 96 TRP HD1 . 11118 1 1124 . 1 1 96 96 TRP HE1 H 1 9.834 0.030 . 1 . . . . 96 TRP HE1 . 11118 1 1125 . 1 1 96 96 TRP HE3 H 1 7.065 0.030 . 1 . . . . 96 TRP HE3 . 11118 1 1126 . 1 1 96 96 TRP HH2 H 1 6.610 0.030 . 1 . . . . 96 TRP HH2 . 11118 1 1127 . 1 1 96 96 TRP HZ2 H 1 7.187 0.030 . 1 . . . . 96 TRP HZ2 . 11118 1 1128 . 1 1 96 96 TRP HZ3 H 1 6.996 0.030 . 1 . . . . 96 TRP HZ3 . 11118 1 1129 . 1 1 96 96 TRP C C 13 177.568 0.300 . 1 . . . . 96 TRP C . 11118 1 1130 . 1 1 96 96 TRP CA C 13 58.142 0.300 . 1 . . . . 96 TRP CA . 11118 1 1131 . 1 1 96 96 TRP CB C 13 30.357 0.300 . 1 . . . . 96 TRP CB . 11118 1 1132 . 1 1 96 96 TRP CD1 C 13 127.617 0.300 . 1 . . . . 96 TRP CD1 . 11118 1 1133 . 1 1 96 96 TRP CE3 C 13 119.225 0.300 . 1 . . . . 96 TRP CE3 . 11118 1 1134 . 1 1 96 96 TRP CH2 C 13 123.038 0.300 . 1 . . . . 96 TRP CH2 . 11118 1 1135 . 1 1 96 96 TRP CZ2 C 13 115.214 0.300 . 1 . . . . 96 TRP CZ2 . 11118 1 1136 . 1 1 96 96 TRP CZ3 C 13 123.147 0.300 . 1 . . . . 96 TRP CZ3 . 11118 1 1137 . 1 1 96 96 TRP N N 15 121.446 0.300 . 1 . . . . 96 TRP N . 11118 1 1138 . 1 1 96 96 TRP NE1 N 15 128.989 0.300 . 1 . . . . 96 TRP NE1 . 11118 1 1139 . 1 1 97 97 SER H H 1 9.148 0.030 . 1 . . . . 97 SER H . 11118 1 1140 . 1 1 97 97 SER HA H 1 4.307 0.030 . 1 . . . . 97 SER HA . 11118 1 1141 . 1 1 97 97 SER HB2 H 1 4.093 0.030 . 2 . . . . 97 SER HB2 . 11118 1 1142 . 1 1 97 97 SER HB3 H 1 4.293 0.030 . 2 . . . . 97 SER HB3 . 11118 1 1143 . 1 1 97 97 SER C C 13 173.132 0.300 . 1 . . . . 97 SER C . 11118 1 1144 . 1 1 97 97 SER CA C 13 58.511 0.300 . 1 . . . . 97 SER CA . 11118 1 1145 . 1 1 97 97 SER CB C 13 66.973 0.300 . 1 . . . . 97 SER CB . 11118 1 1146 . 1 1 97 97 SER N N 15 116.392 0.300 . 1 . . . . 97 SER N . 11118 1 1147 . 1 1 98 98 MET H H 1 8.551 0.030 . 1 . . . . 98 MET H . 11118 1 1148 . 1 1 98 98 MET HA H 1 4.519 0.030 . 1 . . . . 98 MET HA . 11118 1 1149 . 1 1 98 98 MET HB2 H 1 2.283 0.030 . 2 . . . . 98 MET HB2 . 11118 1 1150 . 1 1 98 98 MET HB3 H 1 2.186 0.030 . 2 . . . . 98 MET HB3 . 11118 1 1151 . 1 1 98 98 MET HE1 H 1 2.074 0.030 . 1 . . . . 98 MET HE . 11118 1 1152 . 1 1 98 98 MET HE2 H 1 2.074 0.030 . 1 . . . . 98 MET HE . 11118 1 1153 . 1 1 98 98 MET HE3 H 1 2.074 0.030 . 1 . . . . 98 MET HE . 11118 1 1154 . 1 1 98 98 MET HG2 H 1 2.806 0.030 . 2 . . . . 98 MET HG2 . 11118 1 1155 . 1 1 98 98 MET HG3 H 1 2.731 0.030 . 2 . . . . 98 MET HG3 . 11118 1 1156 . 1 1 98 98 MET C C 13 177.150 0.300 . 1 . . . . 98 MET C . 11118 1 1157 . 1 1 98 98 MET CA C 13 56.682 0.300 . 1 . . . . 98 MET CA . 11118 1 1158 . 1 1 98 98 MET CB C 13 32.890 0.300 . 1 . . . . 98 MET CB . 11118 1 1159 . 1 1 98 98 MET CE C 13 17.031 0.300 . 1 . . . . 98 MET CE . 11118 1 1160 . 1 1 98 98 MET CG C 13 31.782 0.300 . 1 . . . . 98 MET CG . 11118 1 1161 . 1 1 98 98 MET N N 15 116.616 0.300 . 1 . . . . 98 MET N . 11118 1 1162 . 1 1 99 99 THR H H 1 8.544 0.030 . 1 . . . . 99 THR H . 11118 1 1163 . 1 1 99 99 THR HA H 1 4.789 0.030 . 1 . . . . 99 THR HA . 11118 1 1164 . 1 1 99 99 THR HB H 1 3.994 0.030 . 1 . . . . 99 THR HB . 11118 1 1165 . 1 1 99 99 THR HG21 H 1 1.069 0.030 . 1 . . . . 99 THR HG2 . 11118 1 1166 . 1 1 99 99 THR HG22 H 1 1.069 0.030 . 1 . . . . 99 THR HG2 . 11118 1 1167 . 1 1 99 99 THR HG23 H 1 1.069 0.030 . 1 . . . . 99 THR HG2 . 11118 1 1168 . 1 1 99 99 THR C C 13 174.567 0.300 . 1 . . . . 99 THR C . 11118 1 1169 . 1 1 99 99 THR CA C 13 62.384 0.300 . 1 . . . . 99 THR CA . 11118 1 1170 . 1 1 99 99 THR CB C 13 70.540 0.300 . 1 . . . . 99 THR CB . 11118 1 1171 . 1 1 99 99 THR CG2 C 13 23.209 0.300 . 1 . . . . 99 THR CG2 . 11118 1 1172 . 1 1 99 99 THR N N 15 119.303 0.300 . 1 . . . . 99 THR N . 11118 1 1173 . 1 1 100 100 ALA H H 1 9.272 0.030 . 1 . . . . 100 ALA H . 11118 1 1174 . 1 1 100 100 ALA HA H 1 4.856 0.030 . 1 . . . . 100 ALA HA . 11118 1 1175 . 1 1 100 100 ALA HB1 H 1 1.313 0.030 . 1 . . . . 100 ALA HB . 11118 1 1176 . 1 1 100 100 ALA HB2 H 1 1.313 0.030 . 1 . . . . 100 ALA HB . 11118 1 1177 . 1 1 100 100 ALA HB3 H 1 1.313 0.030 . 1 . . . . 100 ALA HB . 11118 1 1178 . 1 1 100 100 ALA C C 13 175.610 0.300 . 1 . . . . 100 ALA C . 11118 1 1179 . 1 1 100 100 ALA CA C 13 50.328 0.300 . 1 . . . . 100 ALA CA . 11118 1 1180 . 1 1 100 100 ALA CB C 13 22.126 0.300 . 1 . . . . 100 ALA CB . 11118 1 1181 . 1 1 100 100 ALA N N 15 127.380 0.300 . 1 . . . . 100 ALA N . 11118 1 1182 . 1 1 101 101 HIS H H 1 8.750 0.030 . 1 . . . . 101 HIS H . 11118 1 1183 . 1 1 101 101 HIS HA H 1 5.958 0.030 . 1 . . . . 101 HIS HA . 11118 1 1184 . 1 1 101 101 HIS HB2 H 1 3.162 0.030 . 2 . . . . 101 HIS HB2 . 11118 1 1185 . 1 1 101 101 HIS HB3 H 1 2.969 0.030 . 2 . . . . 101 HIS HB3 . 11118 1 1186 . 1 1 101 101 HIS HD2 H 1 6.790 0.030 . 1 . . . . 101 HIS HD2 . 11118 1 1187 . 1 1 101 101 HIS HE1 H 1 7.739 0.030 . 1 . . . . 101 HIS HE1 . 11118 1 1188 . 1 1 101 101 HIS C C 13 175.826 0.300 . 1 . . . . 101 HIS C . 11118 1 1189 . 1 1 101 101 HIS CA C 13 55.480 0.300 . 1 . . . . 101 HIS CA . 11118 1 1190 . 1 1 101 101 HIS CB C 13 34.105 0.300 . 1 . . . . 101 HIS CB . 11118 1 1191 . 1 1 101 101 HIS CD2 C 13 119.034 0.300 . 1 . . . . 101 HIS CD2 . 11118 1 1192 . 1 1 101 101 HIS CE1 C 13 138.321 0.300 . 1 . . . . 101 HIS CE1 . 11118 1 1193 . 1 1 101 101 HIS N N 15 118.808 0.300 . 1 . . . . 101 HIS N . 11118 1 1194 . 1 1 102 102 GLY H H 1 8.853 0.030 . 1 . . . . 102 GLY H . 11118 1 1195 . 1 1 102 102 GLY HA2 H 1 4.552 0.030 . 2 . . . . 102 GLY HA2 . 11118 1 1196 . 1 1 102 102 GLY HA3 H 1 3.495 0.030 . 2 . . . . 102 GLY HA3 . 11118 1 1197 . 1 1 102 102 GLY C C 13 170.341 0.300 . 1 . . . . 102 GLY C . 11118 1 1198 . 1 1 102 102 GLY CA C 13 46.439 0.300 . 1 . . . . 102 GLY CA . 11118 1 1199 . 1 1 102 102 GLY N N 15 106.581 0.300 . 1 . . . . 102 GLY N . 11118 1 1200 . 1 1 103 103 THR H H 1 8.340 0.030 . 1 . . . . 103 THR H . 11118 1 1201 . 1 1 103 103 THR HA H 1 5.597 0.030 . 1 . . . . 103 THR HA . 11118 1 1202 . 1 1 103 103 THR HB H 1 3.894 0.030 . 1 . . . . 103 THR HB . 11118 1 1203 . 1 1 103 103 THR HG21 H 1 1.168 0.030 . 1 . . . . 103 THR HG2 . 11118 1 1204 . 1 1 103 103 THR HG22 H 1 1.168 0.030 . 1 . . . . 103 THR HG2 . 11118 1 1205 . 1 1 103 103 THR HG23 H 1 1.168 0.030 . 1 . . . . 103 THR HG2 . 11118 1 1206 . 1 1 103 103 THR C C 13 175.026 0.300 . 1 . . . . 103 THR C . 11118 1 1207 . 1 1 103 103 THR CA C 13 60.606 0.300 . 1 . . . . 103 THR CA . 11118 1 1208 . 1 1 103 103 THR CB C 13 69.999 0.300 . 1 . . . . 103 THR CB . 11118 1 1209 . 1 1 103 103 THR CG2 C 13 20.287 0.300 . 1 . . . . 103 THR CG2 . 11118 1 1210 . 1 1 103 103 THR N N 15 122.294 0.300 . 1 . . . . 103 THR N . 11118 1 1211 . 1 1 104 104 THR H H 1 8.562 0.030 . 1 . . . . 104 THR H . 11118 1 1212 . 1 1 104 104 THR HA H 1 3.796 0.030 . 1 . . . . 104 THR HA . 11118 1 1213 . 1 1 104 104 THR HB H 1 4.637 0.030 . 1 . . . . 104 THR HB . 11118 1 1214 . 1 1 104 104 THR HG21 H 1 1.097 0.030 . 1 . . . . 104 THR HG2 . 11118 1 1215 . 1 1 104 104 THR HG22 H 1 1.097 0.030 . 1 . . . . 104 THR HG2 . 11118 1 1216 . 1 1 104 104 THR HG23 H 1 1.097 0.030 . 1 . . . . 104 THR HG2 . 11118 1 1217 . 1 1 104 104 THR C C 13 175.751 0.300 . 1 . . . . 104 THR C . 11118 1 1218 . 1 1 104 104 THR CA C 13 61.662 0.300 . 1 . . . . 104 THR CA . 11118 1 1219 . 1 1 104 104 THR CB C 13 69.351 0.300 . 1 . . . . 104 THR CB . 11118 1 1220 . 1 1 104 104 THR CG2 C 13 25.379 0.300 . 1 . . . . 104 THR CG2 . 11118 1 1221 . 1 1 104 104 THR N N 15 115.701 0.300 . 1 . . . . 104 THR N . 11118 1 1222 . 1 1 105 105 PHE H H 1 6.203 0.030 . 1 . . . . 105 PHE H . 11118 1 1223 . 1 1 105 105 PHE HA H 1 4.905 0.030 . 1 . . . . 105 PHE HA . 11118 1 1224 . 1 1 105 105 PHE HB2 H 1 2.533 0.030 . 2 . . . . 105 PHE HB2 . 11118 1 1225 . 1 1 105 105 PHE HB3 H 1 3.679 0.030 . 2 . . . . 105 PHE HB3 . 11118 1 1226 . 1 1 105 105 PHE HD1 H 1 7.192 0.030 . 1 . . . . 105 PHE HD1 . 11118 1 1227 . 1 1 105 105 PHE HD2 H 1 7.192 0.030 . 1 . . . . 105 PHE HD2 . 11118 1 1228 . 1 1 105 105 PHE HE1 H 1 7.235 0.030 . 1 . . . . 105 PHE HE1 . 11118 1 1229 . 1 1 105 105 PHE HE2 H 1 7.235 0.030 . 1 . . . . 105 PHE HE2 . 11118 1 1230 . 1 1 105 105 PHE HZ H 1 7.230 0.030 . 1 . . . . 105 PHE HZ . 11118 1 1231 . 1 1 105 105 PHE C C 13 176.529 0.300 . 1 . . . . 105 PHE C . 11118 1 1232 . 1 1 105 105 PHE CA C 13 55.081 0.300 . 1 . . . . 105 PHE CA . 11118 1 1233 . 1 1 105 105 PHE CB C 13 39.209 0.300 . 1 . . . . 105 PHE CB . 11118 1 1234 . 1 1 105 105 PHE CD1 C 13 130.099 0.300 . 1 . . . . 105 PHE CD1 . 11118 1 1235 . 1 1 105 105 PHE CD2 C 13 130.099 0.300 . 1 . . . . 105 PHE CD2 . 11118 1 1236 . 1 1 105 105 PHE CE1 C 13 131.470 0.300 . 1 . . . . 105 PHE CE1 . 11118 1 1237 . 1 1 105 105 PHE CE2 C 13 131.470 0.300 . 1 . . . . 105 PHE CE2 . 11118 1 1238 . 1 1 105 105 PHE CZ C 13 130.099 0.300 . 1 . . . . 105 PHE CZ . 11118 1 1239 . 1 1 105 105 PHE N N 15 116.756 0.300 . 1 . . . . 105 PHE N . 11118 1 1240 . 1 1 106 106 GLU H H 1 8.478 0.030 . 1 . . . . 106 GLU H . 11118 1 1241 . 1 1 106 106 GLU HA H 1 4.350 0.030 . 1 . . . . 106 GLU HA . 11118 1 1242 . 1 1 106 106 GLU HB2 H 1 2.040 0.030 . 2 . . . . 106 GLU HB2 . 11118 1 1243 . 1 1 106 106 GLU HB3 H 1 1.918 0.030 . 2 . . . . 106 GLU HB3 . 11118 1 1244 . 1 1 106 106 GLU HG2 H 1 2.337 0.030 . 2 . . . . 106 GLU HG2 . 11118 1 1245 . 1 1 106 106 GLU HG3 H 1 2.197 0.030 . 2 . . . . 106 GLU HG3 . 11118 1 1246 . 1 1 106 106 GLU C C 13 176.424 0.300 . 1 . . . . 106 GLU C . 11118 1 1247 . 1 1 106 106 GLU CA C 13 56.558 0.300 . 1 . . . . 106 GLU CA . 11118 1 1248 . 1 1 106 106 GLU CB C 13 31.098 0.300 . 1 . . . . 106 GLU CB . 11118 1 1249 . 1 1 106 106 GLU CG C 13 36.566 0.300 . 1 . . . . 106 GLU CG . 11118 1 1250 . 1 1 106 106 GLU N N 15 117.881 0.300 . 1 . . . . 106 GLU N . 11118 1 1251 . 1 1 107 107 LEU H H 1 8.849 0.030 . 1 . . . . 107 LEU H . 11118 1 1252 . 1 1 107 107 LEU HA H 1 4.084 0.030 . 1 . . . . 107 LEU HA . 11118 1 1253 . 1 1 107 107 LEU HB2 H 1 1.566 0.030 . 2 . . . . 107 LEU HB2 . 11118 1 1254 . 1 1 107 107 LEU HB3 H 1 1.255 0.030 . 2 . . . . 107 LEU HB3 . 11118 1 1255 . 1 1 107 107 LEU HD11 H 1 0.580 0.030 . 1 . . . . 107 LEU HD1 . 11118 1 1256 . 1 1 107 107 LEU HD12 H 1 0.580 0.030 . 1 . . . . 107 LEU HD1 . 11118 1 1257 . 1 1 107 107 LEU HD13 H 1 0.580 0.030 . 1 . . . . 107 LEU HD1 . 11118 1 1258 . 1 1 107 107 LEU HD21 H 1 0.494 0.030 . 1 . . . . 107 LEU HD2 . 11118 1 1259 . 1 1 107 107 LEU HD22 H 1 0.494 0.030 . 1 . . . . 107 LEU HD2 . 11118 1 1260 . 1 1 107 107 LEU HD23 H 1 0.494 0.030 . 1 . . . . 107 LEU HD2 . 11118 1 1261 . 1 1 107 107 LEU HG H 1 1.309 0.030 . 1 . . . . 107 LEU HG . 11118 1 1262 . 1 1 107 107 LEU C C 13 176.780 0.300 . 1 . . . . 107 LEU C . 11118 1 1263 . 1 1 107 107 LEU CA C 13 55.583 0.300 . 1 . . . . 107 LEU CA . 11118 1 1264 . 1 1 107 107 LEU CB C 13 42.883 0.300 . 1 . . . . 107 LEU CB . 11118 1 1265 . 1 1 107 107 LEU CD1 C 13 24.307 0.300 . 2 . . . . 107 LEU CD1 . 11118 1 1266 . 1 1 107 107 LEU CD2 C 13 23.351 0.300 . 2 . . . . 107 LEU CD2 . 11118 1 1267 . 1 1 107 107 LEU CG C 13 26.878 0.300 . 1 . . . . 107 LEU CG . 11118 1 1268 . 1 1 107 107 LEU N N 15 123.896 0.300 . 1 . . . . 107 LEU N . 11118 1 1269 . 1 1 108 108 SER H H 1 8.231 0.030 . 1 . . . . 108 SER H . 11118 1 1270 . 1 1 108 108 SER HA H 1 4.438 0.030 . 1 . . . . 108 SER HA . 11118 1 1271 . 1 1 108 108 SER HB2 H 1 3.821 0.030 . 1 . . . . 108 SER HB2 . 11118 1 1272 . 1 1 108 108 SER HB3 H 1 3.821 0.030 . 1 . . . . 108 SER HB3 . 11118 1 1273 . 1 1 108 108 SER C C 13 174.360 0.300 . 1 . . . . 108 SER C . 11118 1 1274 . 1 1 108 108 SER CA C 13 58.090 0.300 . 1 . . . . 108 SER CA . 11118 1 1275 . 1 1 108 108 SER CB C 13 63.923 0.300 . 1 . . . . 108 SER CB . 11118 1 1276 . 1 1 108 108 SER N N 15 118.822 0.300 . 1 . . . . 108 SER N . 11118 1 1277 . 1 1 109 109 GLY H H 1 8.185 0.030 . 1 . . . . 109 GLY H . 11118 1 1278 . 1 1 109 109 GLY HA2 H 1 4.085 0.030 . 1 . . . . 109 GLY HA2 . 11118 1 1279 . 1 1 109 109 GLY HA3 H 1 4.085 0.030 . 1 . . . . 109 GLY HA3 . 11118 1 1280 . 1 1 109 109 GLY C C 13 171.627 0.300 . 1 . . . . 109 GLY C . 11118 1 1281 . 1 1 109 109 GLY CA C 13 44.570 0.300 . 1 . . . . 109 GLY CA . 11118 1 1282 . 1 1 109 109 GLY N N 15 110.776 0.300 . 1 . . . . 109 GLY N . 11118 1 1283 . 1 1 110 110 PRO HA H 1 4.396 0.030 . 1 . . . . 110 PRO HA . 11118 1 1284 . 1 1 110 110 PRO HB2 H 1 2.212 0.030 . 2 . . . . 110 PRO HB2 . 11118 1 1285 . 1 1 110 110 PRO HB3 H 1 1.918 0.030 . 2 . . . . 110 PRO HB3 . 11118 1 1286 . 1 1 110 110 PRO HD2 H 1 3.593 0.030 . 2 . . . . 110 PRO HD2 . 11118 1 1287 . 1 1 110 110 PRO HD3 H 1 3.537 0.030 . 2 . . . . 110 PRO HD3 . 11118 1 1288 . 1 1 110 110 PRO HG2 H 1 1.962 0.030 . 2 . . . . 110 PRO HG2 . 11118 1 1289 . 1 1 110 110 PRO C C 13 177.397 0.300 . 1 . . . . 110 PRO C . 11118 1 1290 . 1 1 110 110 PRO CA C 13 63.165 0.300 . 1 . . . . 110 PRO CA . 11118 1 1291 . 1 1 110 110 PRO CB C 13 32.169 0.300 . 1 . . . . 110 PRO CB . 11118 1 1292 . 1 1 110 110 PRO CD C 13 49.735 0.300 . 1 . . . . 110 PRO CD . 11118 1 1293 . 1 1 110 110 PRO CG C 13 27.049 0.300 . 1 . . . . 110 PRO CG . 11118 1 1294 . 1 1 111 111 SER H H 1 8.496 0.030 . 1 . . . . 111 SER H . 11118 1 1295 . 1 1 111 111 SER C C 13 174.711 0.300 . 1 . . . . 111 SER C . 11118 1 1296 . 1 1 111 111 SER CA C 13 58.336 0.300 . 1 . . . . 111 SER CA . 11118 1 1297 . 1 1 111 111 SER CB C 13 64.049 0.300 . 1 . . . . 111 SER CB . 11118 1 1298 . 1 1 111 111 SER N N 15 116.326 0.300 . 1 . . . . 111 SER N . 11118 1 stop_ save_