data_18899 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18899 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the bacterial toxin Doc ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-14 _Entry.Accession_date 2012-12-14 _Entry.Last_release_date 2013-10-16 _Entry.Original_release_date 2013-10-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Nico 'van Nuland' . . . 18899 2 Remy Loris . . . 18899 3 Steven 'De Geiter' . . . 18899 4 Abel Garcia-Pino . . . 18899 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Vrije Universiteit Brussel' . 18899 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18899 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 488 18899 '15N chemical shifts' 116 18899 '1H chemical shifts' 778 18899 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 . . 2013-10-16 2012-12-14 original author . 18899 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18899 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23420131 _Citation.Full_citation . _Citation.Title '(1)H, (13)C, and (15)N backbone and side-chain chemical shift assignment of the toxin Doc in the unbound state' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _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 2013 _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 Steven 'De Geiter' . . . 18899 1 2 Remy Loris . . . 18899 1 3 Nico 'van Nuland' . . . 18899 1 4 Abel Garcia-Pino . . . 18899 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18899 _Assembly.ID 1 _Assembly.Name 'Doc monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'Doc monomer' 1 $Doc A . yes native no no . . . 18899 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 3DD7 . . . . . . 18899 1 yes PDB 3DD9 . . . . . . 18899 1 yes PDB 3K33 . . . . . . 18899 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Doc _Entity.Sf_category entity _Entity.Sf_framecode Doc _Entity.Entry_ID 18899 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Doc _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRHISPEELIALHDANISRY GGLPGMSDPGRAEAIIGRVQ ARVAYEEITDLFEVSATYLV ATARGHIFNDANKRTALNSA LLFLRRNGVQVFDSPELADL TVGAATGEISVSSVADTLRR LYGSADPLEHHHHHH ; _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 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 3DD7 . "Structure Of Doch66y In Complex With The C-terminal Domain Of Phd" . . . . . 100.00 135 99.26 100.00 3.12e-90 . . . . 18899 1 2 no PDB 3DD9 . "Structure Of Doch66y Dimer" . . . . . 100.00 135 99.26 100.00 3.12e-90 . . . . 18899 1 3 no PDB 3K33 . "Crystal Structure Of The Phd-Doc Complex" . . . . . 93.33 126 99.21 100.00 1.00e-82 . . . . 18899 1 4 no PDB 3KH2 . "Crystal Structure Of The P1 Bacteriophage Doc Toxin (F68s) In Complex With The Phd Antitoxin (L17mV39A). NORTHEAST STRUCTURAL G" . . . . . 92.59 134 97.60 98.40 3.74e-79 . . . . 18899 1 5 no DBJ BAI39306 . "toxin of P1 addiction system [Escherichia coli O111:H- str. 11128]" . . . . . 93.33 126 98.41 100.00 4.23e-82 . . . . 18899 1 6 no EMBL CAA66833 . "doc [Escherichia coli]" . . . . . 93.33 126 98.41 99.21 4.51e-82 . . . . 18899 1 7 no EMBL CAP07826 . "Doc [Escherichia coli]" . . . . . 93.33 126 98.41 100.00 4.23e-82 . . . . 18899 1 8 no EMBL CCP95093 . "Death on curing protein, Doc toxin [Escherichia coli O10:K5(L):H4 str. ATCC 23506]" . . . . . 93.33 126 99.21 100.00 1.00e-82 . . . . 18899 1 9 no EMBL CDK53024 . "Death on curing protein, Doc toxin [Escherichia coli IS5]" . . . . . 93.33 126 99.21 100.00 1.00e-82 . . . . 18899 1 10 no EMBL CDK58535 . "Death on curing protein, Doc toxin [Escherichia coli IS9]" . . . . . 93.33 126 98.41 100.00 4.23e-82 . . . . 18899 1 11 no GB AAA16931 . "Doc [Enterobacteria phage P1]" . . . . . 93.33 126 99.21 100.00 1.00e-82 . . . . 18899 1 12 no GB AAQ07577 . "Doc [Enterobacteria phage P7]" . . . . . 93.33 126 98.41 100.00 4.23e-82 . . . . 18899 1 13 no GB AAQ14075 . "Doc [Enterobacteria phage P1]" . . . . . 93.33 126 99.21 100.00 1.00e-82 . . . . 18899 1 14 no GB AAQ14183 . "Doc [Enterobacteria phage P1]" . . . . . 93.33 126 99.21 100.00 1.00e-82 . . . . 18899 1 15 no GB ADD63664 . "death on curing protein [Klebsiella pneumoniae]" . . . . . 93.33 126 98.41 100.00 4.23e-82 . . . . 18899 1 16 no REF WP_001216030 . "death-on-curing family protein [Escherichia coli]" . . . . . 93.33 126 97.62 100.00 2.10e-81 . . . . 18899 1 17 no REF WP_001216033 . "death-on-curing family protein [Escherichia coli]" . . . . . 93.33 126 97.62 99.21 5.68e-81 . . . . 18899 1 18 no REF WP_001216034 . "MULTISPECIES: death-on-curing family protein [Enterobacteriaceae]" . . . . . 93.33 126 98.41 100.00 4.23e-82 . . . . 18899 1 19 no REF WP_001216035 . "death-on-curing family protein [Escherichia coli]" . . . . . 93.33 126 97.62 99.21 1.89e-81 . . . . 18899 1 20 no REF WP_001216038 . "MULTISPECIES: death-on-curing family protein [Enterobacteriaceae]" . . . . . 93.33 126 98.41 100.00 3.29e-82 . . . . 18899 1 21 no SP Q06259 . "RecName: Full=Protein kinase doc; AltName: Full=Death on curing protein; AltName: Full=Toxin doc [Enterobacteria phage P1]" . . . . . 93.33 126 99.21 100.00 1.00e-82 . . . . 18899 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18899 1 2 . ARG . 18899 1 3 . HIS . 18899 1 4 . ILE . 18899 1 5 . SER . 18899 1 6 . PRO . 18899 1 7 . GLU . 18899 1 8 . GLU . 18899 1 9 . LEU . 18899 1 10 . ILE . 18899 1 11 . ALA . 18899 1 12 . LEU . 18899 1 13 . HIS . 18899 1 14 . ASP . 18899 1 15 . ALA . 18899 1 16 . ASN . 18899 1 17 . ILE . 18899 1 18 . SER . 18899 1 19 . ARG . 18899 1 20 . TYR . 18899 1 21 . GLY . 18899 1 22 . GLY . 18899 1 23 . LEU . 18899 1 24 . PRO . 18899 1 25 . GLY . 18899 1 26 . MET . 18899 1 27 . SER . 18899 1 28 . ASP . 18899 1 29 . PRO . 18899 1 30 . GLY . 18899 1 31 . ARG . 18899 1 32 . ALA . 18899 1 33 . GLU . 18899 1 34 . ALA . 18899 1 35 . ILE . 18899 1 36 . ILE . 18899 1 37 . GLY . 18899 1 38 . ARG . 18899 1 39 . VAL . 18899 1 40 . GLN . 18899 1 41 . ALA . 18899 1 42 . ARG . 18899 1 43 . VAL . 18899 1 44 . ALA . 18899 1 45 . TYR . 18899 1 46 . GLU . 18899 1 47 . GLU . 18899 1 48 . ILE . 18899 1 49 . THR . 18899 1 50 . ASP . 18899 1 51 . LEU . 18899 1 52 . PHE . 18899 1 53 . GLU . 18899 1 54 . VAL . 18899 1 55 . SER . 18899 1 56 . ALA . 18899 1 57 . THR . 18899 1 58 . TYR . 18899 1 59 . LEU . 18899 1 60 . VAL . 18899 1 61 . ALA . 18899 1 62 . THR . 18899 1 63 . ALA . 18899 1 64 . ARG . 18899 1 65 . GLY . 18899 1 66 . HIS . 18899 1 67 . ILE . 18899 1 68 . PHE . 18899 1 69 . ASN . 18899 1 70 . ASP . 18899 1 71 . ALA . 18899 1 72 . ASN . 18899 1 73 . LYS . 18899 1 74 . ARG . 18899 1 75 . THR . 18899 1 76 . ALA . 18899 1 77 . LEU . 18899 1 78 . ASN . 18899 1 79 . SER . 18899 1 80 . ALA . 18899 1 81 . LEU . 18899 1 82 . LEU . 18899 1 83 . PHE . 18899 1 84 . LEU . 18899 1 85 . ARG . 18899 1 86 . ARG . 18899 1 87 . ASN . 18899 1 88 . GLY . 18899 1 89 . VAL . 18899 1 90 . GLN . 18899 1 91 . VAL . 18899 1 92 . PHE . 18899 1 93 . ASP . 18899 1 94 . SER . 18899 1 95 . PRO . 18899 1 96 . GLU . 18899 1 97 . LEU . 18899 1 98 . ALA . 18899 1 99 . ASP . 18899 1 100 . LEU . 18899 1 101 . THR . 18899 1 102 . VAL . 18899 1 103 . GLY . 18899 1 104 . ALA . 18899 1 105 . ALA . 18899 1 106 . THR . 18899 1 107 . GLY . 18899 1 108 . GLU . 18899 1 109 . ILE . 18899 1 110 . SER . 18899 1 111 . VAL . 18899 1 112 . SER . 18899 1 113 . SER . 18899 1 114 . VAL . 18899 1 115 . ALA . 18899 1 116 . ASP . 18899 1 117 . THR . 18899 1 118 . LEU . 18899 1 119 . ARG . 18899 1 120 . ARG . 18899 1 121 . LEU . 18899 1 122 . TYR . 18899 1 123 . GLY . 18899 1 124 . SER . 18899 1 125 . ALA . 18899 1 126 . ASP . 18899 1 127 . PRO . 18899 1 128 . LEU . 18899 1 129 . GLU . 18899 1 130 . HIS . 18899 1 131 . HIS . 18899 1 132 . HIS . 18899 1 133 . HIS . 18899 1 134 . HIS . 18899 1 135 . HIS . 18899 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18899 1 . ARG 2 2 18899 1 . HIS 3 3 18899 1 . ILE 4 4 18899 1 . SER 5 5 18899 1 . PRO 6 6 18899 1 . GLU 7 7 18899 1 . GLU 8 8 18899 1 . LEU 9 9 18899 1 . ILE 10 10 18899 1 . ALA 11 11 18899 1 . LEU 12 12 18899 1 . HIS 13 13 18899 1 . ASP 14 14 18899 1 . ALA 15 15 18899 1 . ASN 16 16 18899 1 . ILE 17 17 18899 1 . SER 18 18 18899 1 . ARG 19 19 18899 1 . TYR 20 20 18899 1 . GLY 21 21 18899 1 . GLY 22 22 18899 1 . LEU 23 23 18899 1 . PRO 24 24 18899 1 . GLY 25 25 18899 1 . MET 26 26 18899 1 . SER 27 27 18899 1 . ASP 28 28 18899 1 . PRO 29 29 18899 1 . GLY 30 30 18899 1 . ARG 31 31 18899 1 . ALA 32 32 18899 1 . GLU 33 33 18899 1 . ALA 34 34 18899 1 . ILE 35 35 18899 1 . ILE 36 36 18899 1 . GLY 37 37 18899 1 . ARG 38 38 18899 1 . VAL 39 39 18899 1 . GLN 40 40 18899 1 . ALA 41 41 18899 1 . ARG 42 42 18899 1 . VAL 43 43 18899 1 . ALA 44 44 18899 1 . TYR 45 45 18899 1 . GLU 46 46 18899 1 . GLU 47 47 18899 1 . ILE 48 48 18899 1 . THR 49 49 18899 1 . ASP 50 50 18899 1 . LEU 51 51 18899 1 . PHE 52 52 18899 1 . GLU 53 53 18899 1 . VAL 54 54 18899 1 . SER 55 55 18899 1 . ALA 56 56 18899 1 . THR 57 57 18899 1 . TYR 58 58 18899 1 . LEU 59 59 18899 1 . VAL 60 60 18899 1 . ALA 61 61 18899 1 . THR 62 62 18899 1 . ALA 63 63 18899 1 . ARG 64 64 18899 1 . GLY 65 65 18899 1 . HIS 66 66 18899 1 . ILE 67 67 18899 1 . PHE 68 68 18899 1 . ASN 69 69 18899 1 . ASP 70 70 18899 1 . ALA 71 71 18899 1 . ASN 72 72 18899 1 . LYS 73 73 18899 1 . ARG 74 74 18899 1 . THR 75 75 18899 1 . ALA 76 76 18899 1 . LEU 77 77 18899 1 . ASN 78 78 18899 1 . SER 79 79 18899 1 . ALA 80 80 18899 1 . LEU 81 81 18899 1 . LEU 82 82 18899 1 . PHE 83 83 18899 1 . LEU 84 84 18899 1 . ARG 85 85 18899 1 . ARG 86 86 18899 1 . ASN 87 87 18899 1 . GLY 88 88 18899 1 . VAL 89 89 18899 1 . GLN 90 90 18899 1 . VAL 91 91 18899 1 . PHE 92 92 18899 1 . ASP 93 93 18899 1 . SER 94 94 18899 1 . PRO 95 95 18899 1 . GLU 96 96 18899 1 . LEU 97 97 18899 1 . ALA 98 98 18899 1 . ASP 99 99 18899 1 . LEU 100 100 18899 1 . THR 101 101 18899 1 . VAL 102 102 18899 1 . GLY 103 103 18899 1 . ALA 104 104 18899 1 . ALA 105 105 18899 1 . THR 106 106 18899 1 . GLY 107 107 18899 1 . GLU 108 108 18899 1 . ILE 109 109 18899 1 . SER 110 110 18899 1 . VAL 111 111 18899 1 . SER 112 112 18899 1 . SER 113 113 18899 1 . VAL 114 114 18899 1 . ALA 115 115 18899 1 . ASP 116 116 18899 1 . THR 117 117 18899 1 . LEU 118 118 18899 1 . ARG 119 119 18899 1 . ARG 120 120 18899 1 . LEU 121 121 18899 1 . TYR 122 122 18899 1 . GLY 123 123 18899 1 . SER 124 124 18899 1 . ALA 125 125 18899 1 . ASP 126 126 18899 1 . PRO 127 127 18899 1 . LEU 128 128 18899 1 . GLU 129 129 18899 1 . HIS 130 130 18899 1 . HIS 131 131 18899 1 . HIS 132 132 18899 1 . HIS 133 133 18899 1 . HIS 134 134 18899 1 . HIS 135 135 18899 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 18899 _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 $Doc . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . phd/doc . . . . 18899 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 18899 _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 $Doc . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21b . . . . . . 18899 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_Doc _Sample.Sf_category sample _Sample.Sf_framecode sample_Doc _Sample.Entry_ID 18899 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Doc '[U-98% 13C; U-98% 15N]' . . 1 $Doc . . . 0.5 1.0 mM . . . . 18899 1 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18899 1 3 'phosphate buffer' 'natural abundance' . . . . . . 100 . . mM . . . . 18899 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18899 _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' 100 . mM 18899 1 pH 6.5 . pH 18899 1 pressure 1 . atm 18899 1 temperature 298 . K 18899 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18899 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18899 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18899 1 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 18899 _Software.ID 2 _Software.Name CcpNMR _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18899 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18899 2 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 18899 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18899 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18899 _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 Varian VNS . 600 . . . 18899 1 2 spectrometer_2 Varian VNS . 800 . . . 18899 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 18899 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_Doc isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18899 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_Doc isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18899 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_Doc isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18899 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_Doc isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18899 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_Doc isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18899 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_Doc isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18899 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_Doc isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18899 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_Doc isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18899 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_Doc isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18899 1 10 '3D HNCA' no . . . . . . . . . . 1 $sample_Doc isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18899 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18899 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18899 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18899 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18899 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18899 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18899 1 2 '2D 1H-13C HSQC' . . . 18899 1 3 '3D HNCO' . . . 18899 1 4 '3D HNCACB' . . . 18899 1 5 '3D CBCA(CO)NH' . . . 18899 1 6 '3D HCCH-TOCSY' . . . 18899 1 7 '3D HBHA(CO)NH' . . . 18899 1 8 '3D 1H-15N NOESY' . . . 18899 1 9 '3D 1H-13C NOESY' . . . 18899 1 10 '3D HNCA' . . . 18899 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 1 1 MET HA H 1 3.811 0.006 . 1 . . . . 1 MET HA . 18899 1 2 . 1 1 1 1 MET HB2 H 1 1.980 0.004 . 1 . . . . 1 MET HB2 . 18899 1 3 . 1 1 1 1 MET HB3 H 1 1.980 0.004 . 1 . . . . 1 MET HB3 . 18899 1 4 . 1 1 1 1 MET HG2 H 1 2.010 0.000 . 2 . . . . 1 MET HG2 . 18899 1 5 . 1 1 1 1 MET HG3 H 1 2.172 0.000 . 2 . . . . 1 MET HG3 . 18899 1 6 . 1 1 1 1 MET HE1 H 1 2.117 0.001 . 1 . . . . 1 MET HE1 . 18899 1 7 . 1 1 1 1 MET HE2 H 1 2.117 0.001 . 1 . . . . 1 MET HE2 . 18899 1 8 . 1 1 1 1 MET HE3 H 1 2.117 0.001 . 1 . . . . 1 MET HE3 . 18899 1 9 . 1 1 1 1 MET C C 13 171.801 0.020 . 1 . . . . 1 MET C . 18899 1 10 . 1 1 1 1 MET CA C 13 55.352 0.054 . 1 . . . . 1 MET CA . 18899 1 11 . 1 1 1 1 MET CB C 13 34.324 0.070 . 1 . . . . 1 MET CB . 18899 1 12 . 1 1 1 1 MET CG C 13 30.087 0.026 . 1 . . . . 1 MET CG . 18899 1 13 . 1 1 1 1 MET CE C 13 16.490 0.032 . 1 . . . . 1 MET CE . 18899 1 14 . 1 1 2 2 ARG H H 1 9.273 0.008 . 1 . . . . 2 ARG H . 18899 1 15 . 1 1 2 2 ARG HA H 1 4.508 0.004 . 1 . . . . 2 ARG HA . 18899 1 16 . 1 1 2 2 ARG HB2 H 1 1.640 0.000 . 2 . . . . 2 ARG HB2 . 18899 1 17 . 1 1 2 2 ARG HB3 H 1 1.332 0.003 . 2 . . . . 2 ARG HB3 . 18899 1 18 . 1 1 2 2 ARG HD2 H 1 3.116 0.000 . 1 . . . . 2 ARG HD2 . 18899 1 19 . 1 1 2 2 ARG HD3 H 1 3.116 0.000 . 1 . . . . 2 ARG HD3 . 18899 1 20 . 1 1 2 2 ARG C C 13 175.278 0.006 . 1 . . . . 2 ARG C . 18899 1 21 . 1 1 2 2 ARG CA C 13 55.177 0.040 . 1 . . . . 2 ARG CA . 18899 1 22 . 1 1 2 2 ARG CB C 13 31.123 0.098 . 1 . . . . 2 ARG CB . 18899 1 23 . 1 1 2 2 ARG CG C 13 27.031 0.080 . 1 . . . . 2 ARG CG . 18899 1 24 . 1 1 2 2 ARG CD C 13 43.303 0.008 . 1 . . . . 2 ARG CD . 18899 1 25 . 1 1 2 2 ARG N N 15 125.035 0.072 . 1 . . . . 2 ARG N . 18899 1 26 . 1 1 3 3 HIS H H 1 8.640 0.006 . 1 . . . . 3 HIS H . 18899 1 27 . 1 1 3 3 HIS HA H 1 4.829 0.004 . 1 . . . . 3 HIS HA . 18899 1 28 . 1 1 3 3 HIS HB2 H 1 2.909 0.009 . 2 . . . . 3 HIS HB2 . 18899 1 29 . 1 1 3 3 HIS HB3 H 1 3.324 0.000 . 2 . . . . 3 HIS HB3 . 18899 1 30 . 1 1 3 3 HIS HE1 H 1 7.409 0.003 . 1 . . . . 3 HIS HE1 . 18899 1 31 . 1 1 3 3 HIS C C 13 174.941 0.032 . 1 . . . . 3 HIS C . 18899 1 32 . 1 1 3 3 HIS CA C 13 57.149 0.030 . 1 . . . . 3 HIS CA . 18899 1 33 . 1 1 3 3 HIS CB C 13 33.932 0.028 . 1 . . . . 3 HIS CB . 18899 1 34 . 1 1 3 3 HIS CE1 C 13 135.768 0.042 . 1 . . . . 3 HIS CE1 . 18899 1 35 . 1 1 3 3 HIS N N 15 121.828 0.043 . 1 . . . . 3 HIS N . 18899 1 36 . 1 1 4 4 ILE H H 1 7.560 0.008 . 1 . . . . 4 ILE H . 18899 1 37 . 1 1 4 4 ILE HA H 1 4.435 0.002 . 1 . . . . 4 ILE HA . 18899 1 38 . 1 1 4 4 ILE HB H 1 1.783 0.004 . 1 . . . . 4 ILE HB . 18899 1 39 . 1 1 4 4 ILE HG12 H 1 1.174 0.000 . 2 . . . . 4 ILE HG12 . 18899 1 40 . 1 1 4 4 ILE HG13 H 1 0.824 0.003 . 2 . . . . 4 ILE HG13 . 18899 1 41 . 1 1 4 4 ILE HG21 H 1 0.881 0.000 . 1 . . . . 4 ILE HG21 . 18899 1 42 . 1 1 4 4 ILE HG22 H 1 0.881 0.000 . 1 . . . . 4 ILE HG22 . 18899 1 43 . 1 1 4 4 ILE HG23 H 1 0.881 0.000 . 1 . . . . 4 ILE HG23 . 18899 1 44 . 1 1 4 4 ILE HD11 H 1 0.521 0.001 . 1 . . . . 4 ILE HD11 . 18899 1 45 . 1 1 4 4 ILE HD12 H 1 0.521 0.001 . 1 . . . . 4 ILE HD12 . 18899 1 46 . 1 1 4 4 ILE HD13 H 1 0.521 0.001 . 1 . . . . 4 ILE HD13 . 18899 1 47 . 1 1 4 4 ILE C C 13 174.488 0.012 . 1 . . . . 4 ILE C . 18899 1 48 . 1 1 4 4 ILE CA C 13 59.192 0.022 . 1 . . . . 4 ILE CA . 18899 1 49 . 1 1 4 4 ILE CB C 13 39.456 0.039 . 1 . . . . 4 ILE CB . 18899 1 50 . 1 1 4 4 ILE CG1 C 13 27.091 0.050 . 1 . . . . 4 ILE CG1 . 18899 1 51 . 1 1 4 4 ILE CG2 C 13 16.945 0.019 . 1 . . . . 4 ILE CG2 . 18899 1 52 . 1 1 4 4 ILE CD1 C 13 12.650 0.026 . 1 . . . . 4 ILE CD1 . 18899 1 53 . 1 1 4 4 ILE N N 15 117.867 0.048 . 1 . . . . 4 ILE N . 18899 1 54 . 1 1 5 5 SER H H 1 9.017 0.008 . 1 . . . . 5 SER H . 18899 1 55 . 1 1 5 5 SER HA H 1 5.051 0.002 . 1 . . . . 5 SER HA . 18899 1 56 . 1 1 5 5 SER HB2 H 1 4.484 0.006 . 2 . . . . 5 SER HB2 . 18899 1 57 . 1 1 5 5 SER HB3 H 1 3.986 0.002 . 2 . . . . 5 SER HB3 . 18899 1 58 . 1 1 5 5 SER CA C 13 56.013 0.040 . 1 . . . . 5 SER CA . 18899 1 59 . 1 1 5 5 SER CB C 13 64.027 0.028 . 1 . . . . 5 SER CB . 18899 1 60 . 1 1 5 5 SER N N 15 120.815 0.055 . 1 . . . . 5 SER N . 18899 1 61 . 1 1 6 6 PRO HA H 1 4.107 0.004 . 1 . . . . 6 PRO HA . 18899 1 62 . 1 1 6 6 PRO HB2 H 1 2.100 0.002 . 2 . . . . 6 PRO HB2 . 18899 1 63 . 1 1 6 6 PRO HB3 H 1 1.918 0.003 . 2 . . . . 6 PRO HB3 . 18899 1 64 . 1 1 6 6 PRO HG2 H 1 2.403 0.001 . 2 . . . . 6 PRO HG2 . 18899 1 65 . 1 1 6 6 PRO HG3 H 1 1.871 0.002 . 2 . . . . 6 PRO HG3 . 18899 1 66 . 1 1 6 6 PRO HD2 H 1 3.900 0.001 . 2 . . . . 6 PRO HD2 . 18899 1 67 . 1 1 6 6 PRO HD3 H 1 4.092 0.001 . 2 . . . . 6 PRO HD3 . 18899 1 68 . 1 1 6 6 PRO C C 13 177.758 0.018 . 1 . . . . 6 PRO C . 18899 1 69 . 1 1 6 6 PRO CA C 13 66.148 0.043 . 1 . . . . 6 PRO CA . 18899 1 70 . 1 1 6 6 PRO CB C 13 31.089 0.031 . 1 . . . . 6 PRO CB . 18899 1 71 . 1 1 6 6 PRO CG C 13 28.875 0.033 . 1 . . . . 6 PRO CG . 18899 1 72 . 1 1 6 6 PRO CD C 13 50.276 0.066 . 1 . . . . 6 PRO CD . 18899 1 73 . 1 1 7 7 GLU H H 1 8.780 0.006 . 1 . . . . 7 GLU H . 18899 1 74 . 1 1 7 7 GLU HA H 1 3.962 0.007 . 1 . . . . 7 GLU HA . 18899 1 75 . 1 1 7 7 GLU HB2 H 1 2.077 0.002 . 2 . . . . 7 GLU HB2 . 18899 1 76 . 1 1 7 7 GLU HB3 H 1 1.963 0.000 . 2 . . . . 7 GLU HB3 . 18899 1 77 . 1 1 7 7 GLU HG2 H 1 2.295 0.002 . 2 . . . . 7 GLU HG2 . 18899 1 78 . 1 1 7 7 GLU HG3 H 1 2.454 0.000 . 2 . . . . 7 GLU HG3 . 18899 1 79 . 1 1 7 7 GLU C C 13 180.057 0.004 . 1 . . . . 7 GLU C . 18899 1 80 . 1 1 7 7 GLU CA C 13 60.602 0.072 . 1 . . . . 7 GLU CA . 18899 1 81 . 1 1 7 7 GLU CB C 13 28.747 0.073 . 1 . . . . 7 GLU CB . 18899 1 82 . 1 1 7 7 GLU CG C 13 37.053 0.047 . 1 . . . . 7 GLU CG . 18899 1 83 . 1 1 7 7 GLU N N 15 115.297 0.039 . 1 . . . . 7 GLU N . 18899 1 84 . 1 1 8 8 GLU H H 1 8.017 0.005 . 1 . . . . 8 GLU H . 18899 1 85 . 1 1 8 8 GLU HA H 1 4.042 0.000 . 1 . . . . 8 GLU HA . 18899 1 86 . 1 1 8 8 GLU HB2 H 1 2.531 0.011 . 2 . . . . 8 GLU HB2 . 18899 1 87 . 1 1 8 8 GLU HB3 H 1 1.785 0.003 . 2 . . . . 8 GLU HB3 . 18899 1 88 . 1 1 8 8 GLU HG2 H 1 2.438 0.000 . 2 . . . . 8 GLU HG2 . 18899 1 89 . 1 1 8 8 GLU HG3 H 1 2.253 0.000 . 2 . . . . 8 GLU HG3 . 18899 1 90 . 1 1 8 8 GLU C C 13 179.032 0.017 . 1 . . . . 8 GLU C . 18899 1 91 . 1 1 8 8 GLU CA C 13 59.047 0.030 . 1 . . . . 8 GLU CA . 18899 1 92 . 1 1 8 8 GLU CB C 13 30.137 0.081 . 1 . . . . 8 GLU CB . 18899 1 93 . 1 1 8 8 GLU CG C 13 37.784 0.040 . 1 . . . . 8 GLU CG . 18899 1 94 . 1 1 8 8 GLU N N 15 121.378 0.042 . 1 . . . . 8 GLU N . 18899 1 95 . 1 1 9 9 LEU H H 1 8.165 0.005 . 1 . . . . 9 LEU H . 18899 1 96 . 1 1 9 9 LEU HA H 1 3.977 0.008 . 1 . . . . 9 LEU HA . 18899 1 97 . 1 1 9 9 LEU HB2 H 1 1.517 0.000 . 2 . . . . 9 LEU HB2 . 18899 1 98 . 1 1 9 9 LEU HB3 H 1 2.324 0.000 . 2 . . . . 9 LEU HB3 . 18899 1 99 . 1 1 9 9 LEU HD11 H 1 1.091 0.000 . 2 . . . . 9 LEU HD11 . 18899 1 100 . 1 1 9 9 LEU HD12 H 1 1.091 0.000 . 2 . . . . 9 LEU HD12 . 18899 1 101 . 1 1 9 9 LEU HD13 H 1 1.091 0.000 . 2 . . . . 9 LEU HD13 . 18899 1 102 . 1 1 9 9 LEU HD21 H 1 1.099 0.000 . 2 . . . . 9 LEU HD21 . 18899 1 103 . 1 1 9 9 LEU HD22 H 1 1.099 0.000 . 2 . . . . 9 LEU HD22 . 18899 1 104 . 1 1 9 9 LEU HD23 H 1 1.099 0.000 . 2 . . . . 9 LEU HD23 . 18899 1 105 . 1 1 9 9 LEU C C 13 178.709 0.000 . 1 . . . . 9 LEU C . 18899 1 106 . 1 1 9 9 LEU CA C 13 58.659 0.001 . 1 . . . . 9 LEU CA . 18899 1 107 . 1 1 9 9 LEU CB C 13 42.626 0.009 . 1 . . . . 9 LEU CB . 18899 1 108 . 1 1 9 9 LEU CD1 C 13 26.313 0.000 . 2 . . . . 9 LEU CD1 . 18899 1 109 . 1 1 9 9 LEU CD2 C 13 24.912 0.000 . 2 . . . . 9 LEU CD2 . 18899 1 110 . 1 1 9 9 LEU N N 15 122.236 0.070 . 1 . . . . 9 LEU N . 18899 1 111 . 1 1 10 10 ILE H H 1 8.354 0.006 . 1 . . . . 10 ILE H . 18899 1 112 . 1 1 10 10 ILE HA H 1 3.736 0.012 . 1 . . . . 10 ILE HA . 18899 1 113 . 1 1 10 10 ILE HB H 1 1.915 0.000 . 1 . . . . 10 ILE HB . 18899 1 114 . 1 1 10 10 ILE HG12 H 1 1.934 0.001 . 2 . . . . 10 ILE HG12 . 18899 1 115 . 1 1 10 10 ILE HG13 H 1 1.171 0.000 . 2 . . . . 10 ILE HG13 . 18899 1 116 . 1 1 10 10 ILE HG21 H 1 1.107 0.002 . 1 . . . . 10 ILE HG21 . 18899 1 117 . 1 1 10 10 ILE HG22 H 1 1.107 0.002 . 1 . . . . 10 ILE HG22 . 18899 1 118 . 1 1 10 10 ILE HG23 H 1 1.107 0.002 . 1 . . . . 10 ILE HG23 . 18899 1 119 . 1 1 10 10 ILE HD11 H 1 0.926 0.001 . 1 . . . . 10 ILE HD11 . 18899 1 120 . 1 1 10 10 ILE HD12 H 1 0.926 0.001 . 1 . . . . 10 ILE HD12 . 18899 1 121 . 1 1 10 10 ILE HD13 H 1 0.926 0.001 . 1 . . . . 10 ILE HD13 . 18899 1 122 . 1 1 10 10 ILE C C 13 177.633 0.000 . 1 . . . . 10 ILE C . 18899 1 123 . 1 1 10 10 ILE CA C 13 66.118 0.064 . 1 . . . . 10 ILE CA . 18899 1 124 . 1 1 10 10 ILE CB C 13 38.738 0.059 . 1 . . . . 10 ILE CB . 18899 1 125 . 1 1 10 10 ILE CG1 C 13 29.802 0.028 . 1 . . . . 10 ILE CG1 . 18899 1 126 . 1 1 10 10 ILE CG2 C 13 17.576 0.049 . 1 . . . . 10 ILE CG2 . 18899 1 127 . 1 1 10 10 ILE CD1 C 13 14.103 0.038 . 1 . . . . 10 ILE CD1 . 18899 1 128 . 1 1 10 10 ILE N N 15 118.956 0.062 . 1 . . . . 10 ILE N . 18899 1 129 . 1 1 11 11 ALA H H 1 8.082 0.008 . 1 . . . . 11 ALA H . 18899 1 130 . 1 1 11 11 ALA HA H 1 4.234 0.005 . 1 . . . . 11 ALA HA . 18899 1 131 . 1 1 11 11 ALA HB1 H 1 1.523 0.003 . 1 . . . . 11 ALA HB1 . 18899 1 132 . 1 1 11 11 ALA HB2 H 1 1.523 0.003 . 1 . . . . 11 ALA HB2 . 18899 1 133 . 1 1 11 11 ALA HB3 H 1 1.523 0.003 . 1 . . . . 11 ALA HB3 . 18899 1 134 . 1 1 11 11 ALA CA C 13 55.676 0.007 . 1 . . . . 11 ALA CA . 18899 1 135 . 1 1 11 11 ALA CB C 13 17.975 0.032 . 1 . . . . 11 ALA CB . 18899 1 136 . 1 1 11 11 ALA N N 15 122.330 0.067 . 1 . . . . 11 ALA N . 18899 1 137 . 1 1 14 14 ASP HA H 1 4.683 0.000 . 1 . . . . 14 ASP HA . 18899 1 138 . 1 1 14 14 ASP HB2 H 1 2.744 0.014 . 1 . . . . 14 ASP HB2 . 18899 1 139 . 1 1 14 14 ASP HB3 H 1 2.744 0.014 . 1 . . . . 14 ASP HB3 . 18899 1 140 . 1 1 14 14 ASP C C 13 178.923 0.000 . 1 . . . . 14 ASP C . 18899 1 141 . 1 1 14 14 ASP CA C 13 57.429 0.010 . 1 . . . . 14 ASP CA . 18899 1 142 . 1 1 14 14 ASP CB C 13 39.392 0.012 . 1 . . . . 14 ASP CB . 18899 1 143 . 1 1 15 15 ALA H H 1 8.017 0.007 . 1 . . . . 15 ALA H . 18899 1 144 . 1 1 15 15 ALA HA H 1 4.137 0.005 . 1 . . . . 15 ALA HA . 18899 1 145 . 1 1 15 15 ALA HB1 H 1 1.457 0.002 . 1 . . . . 15 ALA HB1 . 18899 1 146 . 1 1 15 15 ALA HB2 H 1 1.457 0.002 . 1 . . . . 15 ALA HB2 . 18899 1 147 . 1 1 15 15 ALA HB3 H 1 1.457 0.002 . 1 . . . . 15 ALA HB3 . 18899 1 148 . 1 1 15 15 ALA C C 13 180.184 0.000 . 1 . . . . 15 ALA C . 18899 1 149 . 1 1 15 15 ALA CA C 13 54.850 0.041 . 1 . . . . 15 ALA CA . 18899 1 150 . 1 1 15 15 ALA CB C 13 17.752 0.025 . 1 . . . . 15 ALA CB . 18899 1 151 . 1 1 15 15 ALA N N 15 123.125 0.056 . 1 . . . . 15 ALA N . 18899 1 152 . 1 1 16 16 ASN H H 1 7.546 0.005 . 1 . . . . 16 ASN H . 18899 1 153 . 1 1 16 16 ASN CA C 13 56.477 0.000 . 1 . . . . 16 ASN CA . 18899 1 154 . 1 1 16 16 ASN N N 15 117.880 0.069 . 1 . . . . 16 ASN N . 18899 1 155 . 1 1 17 17 ILE HA H 1 3.762 0.006 . 1 . . . . 17 ILE HA . 18899 1 156 . 1 1 17 17 ILE HB H 1 1.928 0.005 . 1 . . . . 17 ILE HB . 18899 1 157 . 1 1 17 17 ILE HG12 H 1 0.966 0.003 . 2 . . . . 17 ILE HG12 . 18899 1 158 . 1 1 17 17 ILE HG13 H 1 0.814 0.002 . 2 . . . . 17 ILE HG13 . 18899 1 159 . 1 1 17 17 ILE HG21 H 1 0.579 0.012 . 1 . . . . 17 ILE HG21 . 18899 1 160 . 1 1 17 17 ILE HG22 H 1 0.579 0.012 . 1 . . . . 17 ILE HG22 . 18899 1 161 . 1 1 17 17 ILE HG23 H 1 0.579 0.012 . 1 . . . . 17 ILE HG23 . 18899 1 162 . 1 1 17 17 ILE HD11 H 1 0.379 0.002 . 1 . . . . 17 ILE HD11 . 18899 1 163 . 1 1 17 17 ILE HD12 H 1 0.379 0.002 . 1 . . . . 17 ILE HD12 . 18899 1 164 . 1 1 17 17 ILE HD13 H 1 0.379 0.002 . 1 . . . . 17 ILE HD13 . 18899 1 165 . 1 1 17 17 ILE C C 13 179.445 0.020 . 1 . . . . 17 ILE C . 18899 1 166 . 1 1 17 17 ILE CA C 13 61.324 0.048 . 1 . . . . 17 ILE CA . 18899 1 167 . 1 1 17 17 ILE CB C 13 35.143 0.049 . 1 . . . . 17 ILE CB . 18899 1 168 . 1 1 17 17 ILE CG1 C 13 26.466 0.020 . 1 . . . . 17 ILE CG1 . 18899 1 169 . 1 1 17 17 ILE CG2 C 13 17.245 0.037 . 1 . . . . 17 ILE CG2 . 18899 1 170 . 1 1 17 17 ILE CD1 C 13 9.108 0.035 . 1 . . . . 17 ILE CD1 . 18899 1 171 . 1 1 18 18 SER H H 1 7.888 0.005 . 1 . . . . 18 SER H . 18899 1 172 . 1 1 18 18 SER HA H 1 4.088 0.001 . 1 . . . . 18 SER HA . 18899 1 173 . 1 1 18 18 SER HB2 H 1 3.869 0.001 . 1 . . . . 18 SER HB2 . 18899 1 174 . 1 1 18 18 SER HB3 H 1 3.869 0.001 . 1 . . . . 18 SER HB3 . 18899 1 175 . 1 1 18 18 SER C C 13 175.504 0.018 . 1 . . . . 18 SER C . 18899 1 176 . 1 1 18 18 SER CA C 13 61.464 0.010 . 1 . . . . 18 SER CA . 18899 1 177 . 1 1 18 18 SER CB C 13 62.817 0.002 . 1 . . . . 18 SER CB . 18899 1 178 . 1 1 18 18 SER N N 15 115.167 0.044 . 1 . . . . 18 SER N . 18899 1 179 . 1 1 19 19 ARG H H 1 7.586 0.004 . 1 . . . . 19 ARG H . 18899 1 180 . 1 1 19 19 ARG HA H 1 4.000 0.003 . 1 . . . . 19 ARG HA . 18899 1 181 . 1 1 19 19 ARG HB2 H 1 1.504 0.003 . 2 . . . . 19 ARG HB2 . 18899 1 182 . 1 1 19 19 ARG HB3 H 1 1.197 0.007 . 2 . . . . 19 ARG HB3 . 18899 1 183 . 1 1 19 19 ARG HG2 H 1 1.034 0.008 . 2 . . . . 19 ARG HG2 . 18899 1 184 . 1 1 19 19 ARG HG3 H 1 0.694 0.002 . 2 . . . . 19 ARG HG3 . 18899 1 185 . 1 1 19 19 ARG C C 13 177.611 0.000 . 1 . . . . 19 ARG C . 18899 1 186 . 1 1 19 19 ARG CA C 13 58.242 0.099 . 1 . . . . 19 ARG CA . 18899 1 187 . 1 1 19 19 ARG CB C 13 31.206 0.075 . 1 . . . . 19 ARG CB . 18899 1 188 . 1 1 19 19 ARG CG C 13 26.630 0.058 . 1 . . . . 19 ARG CG . 18899 1 189 . 1 1 19 19 ARG CD C 13 43.187 0.025 . 1 . . . . 19 ARG CD . 18899 1 190 . 1 1 19 19 ARG N N 15 118.583 0.056 . 1 . . . . 19 ARG N . 18899 1 191 . 1 1 20 20 TYR H H 1 8.302 0.009 . 1 . . . . 20 TYR H . 18899 1 192 . 1 1 20 20 TYR HA H 1 4.677 0.008 . 1 . . . . 20 TYR HA . 18899 1 193 . 1 1 20 20 TYR HB2 H 1 3.252 0.010 . 2 . . . . 20 TYR HB2 . 18899 1 194 . 1 1 20 20 TYR HB3 H 1 2.781 0.003 . 2 . . . . 20 TYR HB3 . 18899 1 195 . 1 1 20 20 TYR HD1 H 1 7.225 0.009 . 3 . . . . 20 TYR HD1 . 18899 1 196 . 1 1 20 20 TYR HD2 H 1 7.225 0.009 . 3 . . . . 20 TYR HD2 . 18899 1 197 . 1 1 20 20 TYR HE1 H 1 6.807 0.000 . 3 . . . . 20 TYR HE1 . 18899 1 198 . 1 1 20 20 TYR HE2 H 1 6.807 0.000 . 3 . . . . 20 TYR HE2 . 18899 1 199 . 1 1 20 20 TYR C C 13 176.855 0.000 . 1 . . . . 20 TYR C . 18899 1 200 . 1 1 20 20 TYR CA C 13 58.250 0.057 . 1 . . . . 20 TYR CA . 18899 1 201 . 1 1 20 20 TYR CB C 13 39.233 0.032 . 1 . . . . 20 TYR CB . 18899 1 202 . 1 1 20 20 TYR CD1 C 13 132.835 0.170 . 3 . . . . 20 TYR CD1 . 18899 1 203 . 1 1 20 20 TYR CD2 C 13 132.835 0.170 . 3 . . . . 20 TYR CD2 . 18899 1 204 . 1 1 20 20 TYR CE1 C 13 118.087 0.000 . 3 . . . . 20 TYR CE1 . 18899 1 205 . 1 1 20 20 TYR CE2 C 13 118.087 0.000 . 3 . . . . 20 TYR CE2 . 18899 1 206 . 1 1 20 20 TYR N N 15 114.671 0.068 . 1 . . . . 20 TYR N . 18899 1 207 . 1 1 21 21 GLY H H 1 7.863 0.005 . 1 . . . . 21 GLY H . 18899 1 208 . 1 1 21 21 GLY HA2 H 1 3.915 0.003 . 2 . . . . 21 GLY HA2 . 18899 1 209 . 1 1 21 21 GLY HA3 H 1 4.326 0.003 . 2 . . . . 21 GLY HA3 . 18899 1 210 . 1 1 21 21 GLY C C 13 172.606 0.000 . 1 . . . . 21 GLY C . 18899 1 211 . 1 1 21 21 GLY CA C 13 44.593 0.025 . 1 . . . . 21 GLY CA . 18899 1 212 . 1 1 21 21 GLY N N 15 110.387 0.036 . 1 . . . . 21 GLY N . 18899 1 213 . 1 1 22 22 GLY H H 1 7.876 0.006 . 1 . . . . 22 GLY H . 18899 1 214 . 1 1 22 22 GLY HA2 H 1 4.332 0.006 . 2 . . . . 22 GLY HA2 . 18899 1 215 . 1 1 22 22 GLY HA3 H 1 3.723 0.003 . 2 . . . . 22 GLY HA3 . 18899 1 216 . 1 1 22 22 GLY C C 13 173.158 0.005 . 1 . . . . 22 GLY C . 18899 1 217 . 1 1 22 22 GLY CA C 13 43.579 0.015 . 1 . . . . 22 GLY CA . 18899 1 218 . 1 1 22 22 GLY N N 15 105.070 0.053 . 1 . . . . 22 GLY N . 18899 1 219 . 1 1 23 23 LEU H H 1 9.446 0.005 . 1 . . . . 23 LEU H . 18899 1 220 . 1 1 23 23 LEU HA H 1 4.671 0.005 . 1 . . . . 23 LEU HA . 18899 1 221 . 1 1 23 23 LEU HB2 H 1 1.607 0.002 . 1 . . . . 23 LEU HB2 . 18899 1 222 . 1 1 23 23 LEU HB3 H 1 1.607 0.002 . 1 . . . . 23 LEU HB3 . 18899 1 223 . 1 1 23 23 LEU HD11 H 1 0.971 0.002 . 2 . . . . 23 LEU HD11 . 18899 1 224 . 1 1 23 23 LEU HD12 H 1 0.971 0.002 . 2 . . . . 23 LEU HD12 . 18899 1 225 . 1 1 23 23 LEU HD13 H 1 0.971 0.002 . 2 . . . . 23 LEU HD13 . 18899 1 226 . 1 1 23 23 LEU HD21 H 1 0.925 0.001 . 2 . . . . 23 LEU HD21 . 18899 1 227 . 1 1 23 23 LEU HD22 H 1 0.925 0.001 . 2 . . . . 23 LEU HD22 . 18899 1 228 . 1 1 23 23 LEU HD23 H 1 0.925 0.001 . 2 . . . . 23 LEU HD23 . 18899 1 229 . 1 1 23 23 LEU CA C 13 52.488 0.081 . 1 . . . . 23 LEU CA . 18899 1 230 . 1 1 23 23 LEU CB C 13 42.544 0.100 . 1 . . . . 23 LEU CB . 18899 1 231 . 1 1 23 23 LEU CG C 13 26.574 0.000 . 1 . . . . 23 LEU CG . 18899 1 232 . 1 1 23 23 LEU CD1 C 13 25.055 0.061 . 2 . . . . 23 LEU CD1 . 18899 1 233 . 1 1 23 23 LEU CD2 C 13 23.901 0.040 . 2 . . . . 23 LEU CD2 . 18899 1 234 . 1 1 23 23 LEU N N 15 122.988 0.055 . 1 . . . . 23 LEU N . 18899 1 235 . 1 1 24 24 PRO HA H 1 4.545 0.005 . 1 . . . . 24 PRO HA . 18899 1 236 . 1 1 24 24 PRO HB2 H 1 2.334 0.004 . 2 . . . . 24 PRO HB2 . 18899 1 237 . 1 1 24 24 PRO HB3 H 1 2.078 0.003 . 2 . . . . 24 PRO HB3 . 18899 1 238 . 1 1 24 24 PRO HG2 H 1 1.997 0.000 . 1 . . . . 24 PRO HG2 . 18899 1 239 . 1 1 24 24 PRO HG3 H 1 1.997 0.000 . 1 . . . . 24 PRO HG3 . 18899 1 240 . 1 1 24 24 PRO HD2 H 1 3.733 0.004 . 2 . . . . 24 PRO HD2 . 18899 1 241 . 1 1 24 24 PRO HD3 H 1 4.114 0.001 . 2 . . . . 24 PRO HD3 . 18899 1 242 . 1 1 24 24 PRO C C 13 179.004 0.000 . 1 . . . . 24 PRO C . 18899 1 243 . 1 1 24 24 PRO CA C 13 62.615 0.062 . 1 . . . . 24 PRO CA . 18899 1 244 . 1 1 24 24 PRO CB C 13 33.358 0.077 . 1 . . . . 24 PRO CB . 18899 1 245 . 1 1 24 24 PRO CG C 13 27.096 0.114 . 1 . . . . 24 PRO CG . 18899 1 246 . 1 1 24 24 PRO CD C 13 50.857 0.064 . 1 . . . . 24 PRO CD . 18899 1 247 . 1 1 25 25 GLY H H 1 9.167 0.006 . 1 . . . . 25 GLY H . 18899 1 248 . 1 1 25 25 GLY HA2 H 1 4.418 0.006 . 2 . . . . 25 GLY HA2 . 18899 1 249 . 1 1 25 25 GLY HA3 H 1 4.162 0.003 . 2 . . . . 25 GLY HA3 . 18899 1 250 . 1 1 25 25 GLY C C 13 175.211 0.000 . 1 . . . . 25 GLY C . 18899 1 251 . 1 1 25 25 GLY CA C 13 45.771 0.022 . 1 . . . . 25 GLY CA . 18899 1 252 . 1 1 25 25 GLY N N 15 106.625 0.070 . 1 . . . . 25 GLY N . 18899 1 253 . 1 1 26 26 MET H H 1 8.768 0.008 . 1 . . . . 26 MET H . 18899 1 254 . 1 1 26 26 MET HA H 1 4.677 0.002 . 1 . . . . 26 MET HA . 18899 1 255 . 1 1 26 26 MET HB2 H 1 2.004 0.004 . 1 . . . . 26 MET HB2 . 18899 1 256 . 1 1 26 26 MET HB3 H 1 2.004 0.004 . 1 . . . . 26 MET HB3 . 18899 1 257 . 1 1 26 26 MET HG2 H 1 2.493 0.000 . 2 . . . . 26 MET HG2 . 18899 1 258 . 1 1 26 26 MET HG3 H 1 2.418 0.001 . 2 . . . . 26 MET HG3 . 18899 1 259 . 1 1 26 26 MET HE1 H 1 2.006 0.000 . 1 . . . . 26 MET HE1 . 18899 1 260 . 1 1 26 26 MET HE2 H 1 2.006 0.000 . 1 . . . . 26 MET HE2 . 18899 1 261 . 1 1 26 26 MET HE3 H 1 2.006 0.000 . 1 . . . . 26 MET HE3 . 18899 1 262 . 1 1 26 26 MET C C 13 175.247 0.000 . 1 . . . . 26 MET C . 18899 1 263 . 1 1 26 26 MET CA C 13 55.132 0.046 . 1 . . . . 26 MET CA . 18899 1 264 . 1 1 26 26 MET CB C 13 36.218 0.058 . 1 . . . . 26 MET CB . 18899 1 265 . 1 1 26 26 MET CG C 13 31.620 0.028 . 1 . . . . 26 MET CG . 18899 1 266 . 1 1 26 26 MET CE C 13 16.896 0.000 . 1 . . . . 26 MET CE . 18899 1 267 . 1 1 26 26 MET N N 15 118.877 0.032 . 1 . . . . 26 MET N . 18899 1 268 . 1 1 27 27 SER H H 1 8.997 0.006 . 1 . . . . 27 SER H . 18899 1 269 . 1 1 27 27 SER HA H 1 4.247 0.003 . 1 . . . . 27 SER HA . 18899 1 270 . 1 1 27 27 SER HB2 H 1 3.829 0.001 . 2 . . . . 27 SER HB2 . 18899 1 271 . 1 1 27 27 SER HB3 H 1 3.717 0.002 . 2 . . . . 27 SER HB3 . 18899 1 272 . 1 1 27 27 SER C C 13 174.775 0.027 . 1 . . . . 27 SER C . 18899 1 273 . 1 1 27 27 SER CA C 13 60.454 0.044 . 1 . . . . 27 SER CA . 18899 1 274 . 1 1 27 27 SER CB C 13 63.074 0.007 . 1 . . . . 27 SER CB . 18899 1 275 . 1 1 27 27 SER N N 15 119.299 0.059 . 1 . . . . 27 SER N . 18899 1 276 . 1 1 28 28 ASP H H 1 7.574 0.005 . 1 . . . . 28 ASP H . 18899 1 277 . 1 1 28 28 ASP HA H 1 5.042 0.000 . 1 . . . . 28 ASP HA . 18899 1 278 . 1 1 28 28 ASP HB2 H 1 2.688 0.002 . 2 . . . . 28 ASP HB2 . 18899 1 279 . 1 1 28 28 ASP HB3 H 1 2.573 0.004 . 2 . . . . 28 ASP HB3 . 18899 1 280 . 1 1 28 28 ASP CA C 13 51.460 0.009 . 1 . . . . 28 ASP CA . 18899 1 281 . 1 1 28 28 ASP CB C 13 43.059 0.039 . 1 . . . . 28 ASP CB . 18899 1 282 . 1 1 28 28 ASP N N 15 118.596 0.044 . 1 . . . . 28 ASP N . 18899 1 283 . 1 1 29 29 PRO HA H 1 4.553 0.004 . 1 . . . . 29 PRO HA . 18899 1 284 . 1 1 29 29 PRO HB2 H 1 2.028 0.005 . 2 . . . . 29 PRO HB2 . 18899 1 285 . 1 1 29 29 PRO HB3 H 1 2.420 0.002 . 2 . . . . 29 PRO HB3 . 18899 1 286 . 1 1 29 29 PRO HG2 H 1 2.039 0.000 . 1 . . . . 29 PRO HG2 . 18899 1 287 . 1 1 29 29 PRO HG3 H 1 2.039 0.000 . 1 . . . . 29 PRO HG3 . 18899 1 288 . 1 1 29 29 PRO HD2 H 1 3.889 0.000 . 2 . . . . 29 PRO HD2 . 18899 1 289 . 1 1 29 29 PRO HD3 H 1 3.819 0.000 . 2 . . . . 29 PRO HD3 . 18899 1 290 . 1 1 29 29 PRO C C 13 177.851 0.000 . 1 . . . . 29 PRO C . 18899 1 291 . 1 1 29 29 PRO CA C 13 64.445 0.038 . 1 . . . . 29 PRO CA . 18899 1 292 . 1 1 29 29 PRO CB C 13 32.100 0.049 . 1 . . . . 29 PRO CB . 18899 1 293 . 1 1 29 29 PRO CG C 13 27.359 0.029 . 1 . . . . 29 PRO CG . 18899 1 294 . 1 1 29 29 PRO CD C 13 51.292 0.071 . 1 . . . . 29 PRO CD . 18899 1 295 . 1 1 30 30 GLY H H 1 8.600 0.005 . 1 . . . . 30 GLY H . 18899 1 296 . 1 1 30 30 GLY HA2 H 1 4.286 0.003 . 2 . . . . 30 GLY HA2 . 18899 1 297 . 1 1 30 30 GLY HA3 H 1 3.856 0.005 . 2 . . . . 30 GLY HA3 . 18899 1 298 . 1 1 30 30 GLY C C 13 176.506 0.000 . 1 . . . . 30 GLY C . 18899 1 299 . 1 1 30 30 GLY CA C 13 45.744 0.023 . 1 . . . . 30 GLY CA . 18899 1 300 . 1 1 30 30 GLY N N 15 107.006 0.046 . 1 . . . . 30 GLY N . 18899 1 301 . 1 1 31 31 ARG H H 1 7.750 0.002 . 1 . . . . 31 ARG H . 18899 1 302 . 1 1 31 31 ARG HA H 1 4.058 0.007 . 1 . . . . 31 ARG HA . 18899 1 303 . 1 1 31 31 ARG HB2 H 1 1.834 0.001 . 2 . . . . 31 ARG HB2 . 18899 1 304 . 1 1 31 31 ARG HB3 H 1 1.782 0.001 . 2 . . . . 31 ARG HB3 . 18899 1 305 . 1 1 31 31 ARG HG2 H 1 1.756 0.000 . 2 . . . . 31 ARG HG2 . 18899 1 306 . 1 1 31 31 ARG HG3 H 1 1.617 0.000 . 2 . . . . 31 ARG HG3 . 18899 1 307 . 1 1 31 31 ARG HD2 H 1 3.191 0.004 . 1 . . . . 31 ARG HD2 . 18899 1 308 . 1 1 31 31 ARG HD3 H 1 3.191 0.004 . 1 . . . . 31 ARG HD3 . 18899 1 309 . 1 1 31 31 ARG C C 13 177.508 0.000 . 1 . . . . 31 ARG C . 18899 1 310 . 1 1 31 31 ARG CA C 13 58.893 0.000 . 1 . . . . 31 ARG CA . 18899 1 311 . 1 1 31 31 ARG CB C 13 30.749 0.014 . 1 . . . . 31 ARG CB . 18899 1 312 . 1 1 31 31 ARG CG C 13 27.923 0.017 . 1 . . . . 31 ARG CG . 18899 1 313 . 1 1 31 31 ARG CD C 13 42.919 0.119 . 1 . . . . 31 ARG CD . 18899 1 314 . 1 1 31 31 ARG N N 15 121.172 0.043 . 1 . . . . 31 ARG N . 18899 1 315 . 1 1 32 32 ALA H H 1 7.690 0.005 . 1 . . . . 32 ALA H . 18899 1 316 . 1 1 32 32 ALA HA H 1 3.830 0.003 . 1 . . . . 32 ALA HA . 18899 1 317 . 1 1 32 32 ALA HB1 H 1 1.380 0.005 . 1 . . . . 32 ALA HB1 . 18899 1 318 . 1 1 32 32 ALA HB2 H 1 1.380 0.005 . 1 . . . . 32 ALA HB2 . 18899 1 319 . 1 1 32 32 ALA HB3 H 1 1.380 0.005 . 1 . . . . 32 ALA HB3 . 18899 1 320 . 1 1 32 32 ALA C C 13 178.539 0.000 . 1 . . . . 32 ALA C . 18899 1 321 . 1 1 32 32 ALA CA C 13 55.744 0.003 . 1 . . . . 32 ALA CA . 18899 1 322 . 1 1 32 32 ALA CB C 13 17.495 0.004 . 1 . . . . 32 ALA CB . 18899 1 323 . 1 1 32 32 ALA N N 15 120.458 0.037 . 1 . . . . 32 ALA N . 18899 1 324 . 1 1 33 33 GLU H H 1 8.411 0.004 . 1 . . . . 33 GLU H . 18899 1 325 . 1 1 33 33 GLU HA H 1 3.766 0.011 . 1 . . . . 33 GLU HA . 18899 1 326 . 1 1 33 33 GLU HB2 H 1 2.053 0.004 . 1 . . . . 33 GLU HB2 . 18899 1 327 . 1 1 33 33 GLU HB3 H 1 2.053 0.004 . 1 . . . . 33 GLU HB3 . 18899 1 328 . 1 1 33 33 GLU HG2 H 1 2.272 0.000 . 1 . . . . 33 GLU HG2 . 18899 1 329 . 1 1 33 33 GLU HG3 H 1 2.272 0.000 . 1 . . . . 33 GLU HG3 . 18899 1 330 . 1 1 33 33 GLU C C 13 179.160 0.000 . 1 . . . . 33 GLU C . 18899 1 331 . 1 1 33 33 GLU CA C 13 59.490 0.024 . 1 . . . . 33 GLU CA . 18899 1 332 . 1 1 33 33 GLU CB C 13 29.236 0.002 . 1 . . . . 33 GLU CB . 18899 1 333 . 1 1 33 33 GLU CG C 13 36.284 0.057 . 1 . . . . 33 GLU CG . 18899 1 334 . 1 1 33 33 GLU N N 15 117.700 0.056 . 1 . . . . 33 GLU N . 18899 1 335 . 1 1 34 34 ALA H H 1 7.684 0.007 . 1 . . . . 34 ALA H . 18899 1 336 . 1 1 34 34 ALA HA H 1 4.104 0.008 . 1 . . . . 34 ALA HA . 18899 1 337 . 1 1 34 34 ALA HB1 H 1 1.462 0.002 . 1 . . . . 34 ALA HB1 . 18899 1 338 . 1 1 34 34 ALA HB2 H 1 1.462 0.002 . 1 . . . . 34 ALA HB2 . 18899 1 339 . 1 1 34 34 ALA HB3 H 1 1.462 0.002 . 1 . . . . 34 ALA HB3 . 18899 1 340 . 1 1 34 34 ALA C C 13 180.571 0.000 . 1 . . . . 34 ALA C . 18899 1 341 . 1 1 34 34 ALA CA C 13 55.138 0.043 . 1 . . . . 34 ALA CA . 18899 1 342 . 1 1 34 34 ALA CB C 13 18.479 0.063 . 1 . . . . 34 ALA CB . 18899 1 343 . 1 1 34 34 ALA N N 15 121.396 0.049 . 1 . . . . 34 ALA N . 18899 1 344 . 1 1 35 35 ILE H H 1 8.139 0.007 . 1 . . . . 35 ILE H . 18899 1 345 . 1 1 35 35 ILE HA H 1 3.748 0.007 . 1 . . . . 35 ILE HA . 18899 1 346 . 1 1 35 35 ILE HB H 1 1.901 0.003 . 1 . . . . 35 ILE HB . 18899 1 347 . 1 1 35 35 ILE HG12 H 1 1.508 0.001 . 2 . . . . 35 ILE HG12 . 18899 1 348 . 1 1 35 35 ILE HG13 H 1 1.408 0.001 . 2 . . . . 35 ILE HG13 . 18899 1 349 . 1 1 35 35 ILE HG21 H 1 0.768 0.001 . 1 . . . . 35 ILE HG21 . 18899 1 350 . 1 1 35 35 ILE HG22 H 1 0.768 0.001 . 1 . . . . 35 ILE HG22 . 18899 1 351 . 1 1 35 35 ILE HG23 H 1 0.768 0.001 . 1 . . . . 35 ILE HG23 . 18899 1 352 . 1 1 35 35 ILE HD11 H 1 0.760 0.000 . 1 . . . . 35 ILE HD11 . 18899 1 353 . 1 1 35 35 ILE HD12 H 1 0.760 0.000 . 1 . . . . 35 ILE HD12 . 18899 1 354 . 1 1 35 35 ILE HD13 H 1 0.760 0.000 . 1 . . . . 35 ILE HD13 . 18899 1 355 . 1 1 35 35 ILE C C 13 178.059 0.015 . 1 . . . . 35 ILE C . 18899 1 356 . 1 1 35 35 ILE CA C 13 63.544 0.032 . 1 . . . . 35 ILE CA . 18899 1 357 . 1 1 35 35 ILE CB C 13 36.549 0.040 . 1 . . . . 35 ILE CB . 18899 1 358 . 1 1 35 35 ILE CG1 C 13 28.890 0.075 . 1 . . . . 35 ILE CG1 . 18899 1 359 . 1 1 35 35 ILE CG2 C 13 17.515 0.050 . 1 . . . . 35 ILE CG2 . 18899 1 360 . 1 1 35 35 ILE CD1 C 13 11.242 0.048 . 1 . . . . 35 ILE CD1 . 18899 1 361 . 1 1 35 35 ILE N N 15 118.074 0.072 . 1 . . . . 35 ILE N . 18899 1 362 . 1 1 36 36 ILE H H 1 8.212 0.006 . 1 . . . . 36 ILE H . 18899 1 363 . 1 1 36 36 ILE HA H 1 3.703 0.003 . 1 . . . . 36 ILE HA . 18899 1 364 . 1 1 36 36 ILE HB H 1 2.171 0.006 . 1 . . . . 36 ILE HB . 18899 1 365 . 1 1 36 36 ILE HG12 H 1 1.769 0.000 . 2 . . . . 36 ILE HG12 . 18899 1 366 . 1 1 36 36 ILE HG13 H 1 1.286 0.001 . 2 . . . . 36 ILE HG13 . 18899 1 367 . 1 1 36 36 ILE HG21 H 1 1.085 0.001 . 1 . . . . 36 ILE HG21 . 18899 1 368 . 1 1 36 36 ILE HG22 H 1 1.085 0.001 . 1 . . . . 36 ILE HG22 . 18899 1 369 . 1 1 36 36 ILE HG23 H 1 1.085 0.001 . 1 . . . . 36 ILE HG23 . 18899 1 370 . 1 1 36 36 ILE HD11 H 1 0.897 0.003 . 1 . . . . 36 ILE HD11 . 18899 1 371 . 1 1 36 36 ILE HD12 H 1 0.897 0.003 . 1 . . . . 36 ILE HD12 . 18899 1 372 . 1 1 36 36 ILE HD13 H 1 0.897 0.003 . 1 . . . . 36 ILE HD13 . 18899 1 373 . 1 1 36 36 ILE C C 13 178.462 0.000 . 1 . . . . 36 ILE C . 18899 1 374 . 1 1 36 36 ILE CA C 13 62.514 0.054 . 1 . . . . 36 ILE CA . 18899 1 375 . 1 1 36 36 ILE CB C 13 35.478 0.066 . 1 . . . . 36 ILE CB . 18899 1 376 . 1 1 36 36 ILE CG1 C 13 28.347 0.049 . 1 . . . . 36 ILE CG1 . 18899 1 377 . 1 1 36 36 ILE CG2 C 13 18.541 0.047 . 1 . . . . 36 ILE CG2 . 18899 1 378 . 1 1 36 36 ILE CD1 C 13 9.235 0.052 . 1 . . . . 36 ILE CD1 . 18899 1 379 . 1 1 36 36 ILE N N 15 119.631 0.085 . 1 . . . . 36 ILE N . 18899 1 380 . 1 1 37 37 GLY H H 1 8.257 0.003 . 1 . . . . 37 GLY H . 18899 1 381 . 1 1 37 37 GLY HA2 H 1 3.915 0.002 . 2 . . . . 37 GLY HA2 . 18899 1 382 . 1 1 37 37 GLY HA3 H 1 3.736 0.004 . 2 . . . . 37 GLY HA3 . 18899 1 383 . 1 1 37 37 GLY C C 13 176.786 0.000 . 1 . . . . 37 GLY C . 18899 1 384 . 1 1 37 37 GLY CA C 13 47.239 0.017 . 1 . . . . 37 GLY CA . 18899 1 385 . 1 1 37 37 GLY N N 15 107.008 0.047 . 1 . . . . 37 GLY N . 18899 1 386 . 1 1 38 38 ARG H H 1 7.625 0.008 . 1 . . . . 38 ARG H . 18899 1 387 . 1 1 38 38 ARG HA H 1 4.102 0.006 . 1 . . . . 38 ARG HA . 18899 1 388 . 1 1 38 38 ARG HB2 H 1 1.985 0.008 . 1 . . . . 38 ARG HB2 . 18899 1 389 . 1 1 38 38 ARG HB3 H 1 1.985 0.008 . 1 . . . . 38 ARG HB3 . 18899 1 390 . 1 1 38 38 ARG HD2 H 1 3.115 0.000 . 2 . . . . 38 ARG HD2 . 18899 1 391 . 1 1 38 38 ARG HD3 H 1 2.992 0.002 . 2 . . . . 38 ARG HD3 . 18899 1 392 . 1 1 38 38 ARG C C 13 179.242 0.000 . 1 . . . . 38 ARG C . 18899 1 393 . 1 1 38 38 ARG CA C 13 59.312 0.034 . 1 . . . . 38 ARG CA . 18899 1 394 . 1 1 38 38 ARG CB C 13 30.052 0.086 . 1 . . . . 38 ARG CB . 18899 1 395 . 1 1 38 38 ARG CG C 13 27.538 0.066 . 1 . . . . 38 ARG CG . 18899 1 396 . 1 1 38 38 ARG CD C 13 43.746 0.036 . 1 . . . . 38 ARG CD . 18899 1 397 . 1 1 38 38 ARG N N 15 122.471 0.080 . 1 . . . . 38 ARG N . 18899 1 398 . 1 1 39 39 VAL H H 1 7.852 0.006 . 1 . . . . 39 VAL H . 18899 1 399 . 1 1 39 39 VAL HA H 1 3.271 0.002 . 1 . . . . 39 VAL HA . 18899 1 400 . 1 1 39 39 VAL HB H 1 1.943 0.007 . 1 . . . . 39 VAL HB . 18899 1 401 . 1 1 39 39 VAL HG11 H 1 0.658 0.002 . 2 . . . . 39 VAL HG11 . 18899 1 402 . 1 1 39 39 VAL HG12 H 1 0.658 0.002 . 2 . . . . 39 VAL HG12 . 18899 1 403 . 1 1 39 39 VAL HG13 H 1 0.658 0.002 . 2 . . . . 39 VAL HG13 . 18899 1 404 . 1 1 39 39 VAL HG21 H 1 -0.218 0.007 . 2 . . . . 39 VAL HG21 . 18899 1 405 . 1 1 39 39 VAL HG22 H 1 -0.218 0.007 . 2 . . . . 39 VAL HG22 . 18899 1 406 . 1 1 39 39 VAL HG23 H 1 -0.218 0.007 . 2 . . . . 39 VAL HG23 . 18899 1 407 . 1 1 39 39 VAL C C 13 177.454 0.049 . 1 . . . . 39 VAL C . 18899 1 408 . 1 1 39 39 VAL CA C 13 66.808 0.057 . 1 . . . . 39 VAL CA . 18899 1 409 . 1 1 39 39 VAL CB C 13 31.462 0.063 . 1 . . . . 39 VAL CB . 18899 1 410 . 1 1 39 39 VAL CG1 C 13 22.537 0.033 . 2 . . . . 39 VAL CG1 . 18899 1 411 . 1 1 39 39 VAL CG2 C 13 18.695 0.035 . 2 . . . . 39 VAL CG2 . 18899 1 412 . 1 1 39 39 VAL N N 15 121.429 0.057 . 1 . . . . 39 VAL N . 18899 1 413 . 1 1 40 40 GLN H H 1 7.955 0.010 . 1 . . . . 40 GLN H . 18899 1 414 . 1 1 40 40 GLN HA H 1 3.343 0.001 . 1 . . . . 40 GLN HA . 18899 1 415 . 1 1 40 40 GLN HB2 H 1 1.823 0.007 . 1 . . . . 40 GLN HB2 . 18899 1 416 . 1 1 40 40 GLN HB3 H 1 1.823 0.007 . 1 . . . . 40 GLN HB3 . 18899 1 417 . 1 1 40 40 GLN HG2 H 1 1.468 0.000 . 2 . . . . 40 GLN HG2 . 18899 1 418 . 1 1 40 40 GLN HG3 H 1 2.345 0.000 . 2 . . . . 40 GLN HG3 . 18899 1 419 . 1 1 40 40 GLN C C 13 178.828 0.116 . 1 . . . . 40 GLN C . 18899 1 420 . 1 1 40 40 GLN CA C 13 59.801 0.036 . 1 . . . . 40 GLN CA . 18899 1 421 . 1 1 40 40 GLN CB C 13 27.121 0.113 . 1 . . . . 40 GLN CB . 18899 1 422 . 1 1 40 40 GLN CG C 13 34.147 0.013 . 1 . . . . 40 GLN CG . 18899 1 423 . 1 1 40 40 GLN N N 15 116.011 0.065 . 1 . . . . 40 GLN N . 18899 1 424 . 1 1 41 41 ALA H H 1 8.291 0.012 . 1 . . . . 41 ALA H . 18899 1 425 . 1 1 41 41 ALA HA H 1 4.210 0.000 . 1 . . . . 41 ALA HA . 18899 1 426 . 1 1 41 41 ALA HB1 H 1 1.475 0.006 . 1 . . . . 41 ALA HB1 . 18899 1 427 . 1 1 41 41 ALA HB2 H 1 1.475 0.006 . 1 . . . . 41 ALA HB2 . 18899 1 428 . 1 1 41 41 ALA HB3 H 1 1.475 0.006 . 1 . . . . 41 ALA HB3 . 18899 1 429 . 1 1 41 41 ALA C C 13 179.675 0.000 . 1 . . . . 41 ALA C . 18899 1 430 . 1 1 41 41 ALA CA C 13 55.002 0.001 . 1 . . . . 41 ALA CA . 18899 1 431 . 1 1 41 41 ALA CB C 13 18.192 0.008 . 1 . . . . 41 ALA CB . 18899 1 432 . 1 1 41 41 ALA N N 15 121.784 0.093 . 1 . . . . 41 ALA N . 18899 1 433 . 1 1 42 42 ARG H H 1 8.023 0.011 . 1 . . . . 42 ARG H . 18899 1 434 . 1 1 42 42 ARG HA H 1 4.022 0.014 . 1 . . . . 42 ARG HA . 18899 1 435 . 1 1 42 42 ARG HB2 H 1 1.797 0.010 . 2 . . . . 42 ARG HB2 . 18899 1 436 . 1 1 42 42 ARG HB3 H 1 1.930 0.006 . 2 . . . . 42 ARG HB3 . 18899 1 437 . 1 1 42 42 ARG C C 13 178.202 0.000 . 1 . . . . 42 ARG C . 18899 1 438 . 1 1 42 42 ARG CA C 13 59.706 0.014 . 1 . . . . 42 ARG CA . 18899 1 439 . 1 1 42 42 ARG CB C 13 29.473 0.045 . 1 . . . . 42 ARG CB . 18899 1 440 . 1 1 42 42 ARG N N 15 119.890 0.096 . 1 . . . . 42 ARG N . 18899 1 441 . 1 1 43 43 VAL H H 1 8.016 0.005 . 1 . . . . 43 VAL H . 18899 1 442 . 1 1 43 43 VAL HA H 1 3.497 0.007 . 1 . . . . 43 VAL HA . 18899 1 443 . 1 1 43 43 VAL HB H 1 2.197 0.001 . 1 . . . . 43 VAL HB . 18899 1 444 . 1 1 43 43 VAL HG11 H 1 1.053 0.003 . 2 . . . . 43 VAL HG11 . 18899 1 445 . 1 1 43 43 VAL HG12 H 1 1.053 0.003 . 2 . . . . 43 VAL HG12 . 18899 1 446 . 1 1 43 43 VAL HG13 H 1 1.053 0.003 . 2 . . . . 43 VAL HG13 . 18899 1 447 . 1 1 43 43 VAL HG21 H 1 1.177 0.010 . 2 . . . . 43 VAL HG21 . 18899 1 448 . 1 1 43 43 VAL HG22 H 1 1.177 0.010 . 2 . . . . 43 VAL HG22 . 18899 1 449 . 1 1 43 43 VAL HG23 H 1 1.177 0.010 . 2 . . . . 43 VAL HG23 . 18899 1 450 . 1 1 43 43 VAL C C 13 177.921 0.012 . 1 . . . . 43 VAL C . 18899 1 451 . 1 1 43 43 VAL CA C 13 66.458 0.036 . 1 . . . . 43 VAL CA . 18899 1 452 . 1 1 43 43 VAL CB C 13 31.816 0.067 . 1 . . . . 43 VAL CB . 18899 1 453 . 1 1 43 43 VAL CG1 C 13 24.287 0.074 . 2 . . . . 43 VAL CG1 . 18899 1 454 . 1 1 43 43 VAL CG2 C 13 21.737 0.050 . 2 . . . . 43 VAL CG2 . 18899 1 455 . 1 1 43 43 VAL N N 15 117.489 0.057 . 1 . . . . 43 VAL N . 18899 1 456 . 1 1 44 44 ALA H H 1 7.522 0.011 . 1 . . . . 44 ALA H . 18899 1 457 . 1 1 44 44 ALA HA H 1 4.260 0.006 . 1 . . . . 44 ALA HA . 18899 1 458 . 1 1 44 44 ALA HB1 H 1 1.468 0.010 . 1 . . . . 44 ALA HB1 . 18899 1 459 . 1 1 44 44 ALA HB2 H 1 1.468 0.010 . 1 . . . . 44 ALA HB2 . 18899 1 460 . 1 1 44 44 ALA HB3 H 1 1.468 0.010 . 1 . . . . 44 ALA HB3 . 18899 1 461 . 1 1 44 44 ALA C C 13 180.582 0.007 . 1 . . . . 44 ALA C . 18899 1 462 . 1 1 44 44 ALA CA C 13 54.679 0.029 . 1 . . . . 44 ALA CA . 18899 1 463 . 1 1 44 44 ALA CB C 13 18.648 0.003 . 1 . . . . 44 ALA CB . 18899 1 464 . 1 1 44 44 ALA N N 15 119.417 0.056 . 1 . . . . 44 ALA N . 18899 1 465 . 1 1 45 45 TYR H H 1 8.713 0.015 . 1 . . . . 45 TYR H . 18899 1 466 . 1 1 45 45 TYR HA H 1 4.269 0.005 . 1 . . . . 45 TYR HA . 18899 1 467 . 1 1 45 45 TYR HB2 H 1 3.293 0.002 . 2 . . . . 45 TYR HB2 . 18899 1 468 . 1 1 45 45 TYR HB3 H 1 3.023 0.013 . 2 . . . . 45 TYR HB3 . 18899 1 469 . 1 1 45 45 TYR HD1 H 1 7.138 0.004 . 3 . . . . 45 TYR HD1 . 18899 1 470 . 1 1 45 45 TYR HD2 H 1 7.138 0.004 . 3 . . . . 45 TYR HD2 . 18899 1 471 . 1 1 45 45 TYR HE1 H 1 6.844 0.004 . 3 . . . . 45 TYR HE1 . 18899 1 472 . 1 1 45 45 TYR HE2 H 1 6.844 0.004 . 3 . . . . 45 TYR HE2 . 18899 1 473 . 1 1 45 45 TYR C C 13 178.059 0.000 . 1 . . . . 45 TYR C . 18899 1 474 . 1 1 45 45 TYR CA C 13 61.127 0.013 . 1 . . . . 45 TYR CA . 18899 1 475 . 1 1 45 45 TYR CB C 13 38.861 0.035 . 1 . . . . 45 TYR CB . 18899 1 476 . 1 1 45 45 TYR CD1 C 13 133.146 0.000 . 3 . . . . 45 TYR CD1 . 18899 1 477 . 1 1 45 45 TYR CD2 C 13 133.146 0.000 . 3 . . . . 45 TYR CD2 . 18899 1 478 . 1 1 45 45 TYR CE1 C 13 118.243 0.106 . 3 . . . . 45 TYR CE1 . 18899 1 479 . 1 1 45 45 TYR CE2 C 13 118.243 0.106 . 3 . . . . 45 TYR CE2 . 18899 1 480 . 1 1 45 45 TYR N N 15 119.262 0.043 . 1 . . . . 45 TYR N . 18899 1 481 . 1 1 46 46 GLU H H 1 8.532 0.013 . 1 . . . . 46 GLU H . 18899 1 482 . 1 1 46 46 GLU HA H 1 4.165 0.001 . 1 . . . . 46 GLU HA . 18899 1 483 . 1 1 46 46 GLU HB2 H 1 1.931 0.000 . 2 . . . . 46 GLU HB2 . 18899 1 484 . 1 1 46 46 GLU HB3 H 1 2.243 0.007 . 2 . . . . 46 GLU HB3 . 18899 1 485 . 1 1 46 46 GLU HG2 H 1 2.473 0.000 . 2 . . . . 46 GLU HG2 . 18899 1 486 . 1 1 46 46 GLU HG3 H 1 2.342 0.000 . 2 . . . . 46 GLU HG3 . 18899 1 487 . 1 1 46 46 GLU C C 13 175.051 0.031 . 1 . . . . 46 GLU C . 18899 1 488 . 1 1 46 46 GLU CA C 13 56.247 0.011 . 1 . . . . 46 GLU CA . 18899 1 489 . 1 1 46 46 GLU CB C 13 29.407 0.049 . 1 . . . . 46 GLU CB . 18899 1 490 . 1 1 46 46 GLU CG C 13 37.472 0.003 . 1 . . . . 46 GLU CG . 18899 1 491 . 1 1 46 46 GLU N N 15 115.315 0.050 . 1 . . . . 46 GLU N . 18899 1 492 . 1 1 47 47 GLU H H 1 7.516 0.003 . 1 . . . . 47 GLU H . 18899 1 493 . 1 1 47 47 GLU HA H 1 3.852 0.004 . 1 . . . . 47 GLU HA . 18899 1 494 . 1 1 47 47 GLU HB2 H 1 2.065 0.000 . 2 . . . . 47 GLU HB2 . 18899 1 495 . 1 1 47 47 GLU HB3 H 1 2.156 0.001 . 2 . . . . 47 GLU HB3 . 18899 1 496 . 1 1 47 47 GLU HG2 H 1 2.157 0.000 . 2 . . . . 47 GLU HG2 . 18899 1 497 . 1 1 47 47 GLU HG3 H 1 2.095 0.000 . 2 . . . . 47 GLU HG3 . 18899 1 498 . 1 1 47 47 GLU C C 13 175.187 0.006 . 1 . . . . 47 GLU C . 18899 1 499 . 1 1 47 47 GLU CA C 13 56.885 0.030 . 1 . . . . 47 GLU CA . 18899 1 500 . 1 1 47 47 GLU CB C 13 26.986 0.040 . 1 . . . . 47 GLU CB . 18899 1 501 . 1 1 47 47 GLU CG C 13 36.926 0.041 . 1 . . . . 47 GLU CG . 18899 1 502 . 1 1 47 47 GLU N N 15 117.587 0.050 . 1 . . . . 47 GLU N . 18899 1 503 . 1 1 48 48 ILE H H 1 8.068 0.003 . 1 . . . . 48 ILE H . 18899 1 504 . 1 1 48 48 ILE HA H 1 3.994 0.006 . 1 . . . . 48 ILE HA . 18899 1 505 . 1 1 48 48 ILE HB H 1 1.762 0.007 . 1 . . . . 48 ILE HB . 18899 1 506 . 1 1 48 48 ILE HG12 H 1 1.066 0.001 . 2 . . . . 48 ILE HG12 . 18899 1 507 . 1 1 48 48 ILE HG13 H 1 1.569 0.000 . 2 . . . . 48 ILE HG13 . 18899 1 508 . 1 1 48 48 ILE HG21 H 1 0.903 0.006 . 1 . . . . 48 ILE HG21 . 18899 1 509 . 1 1 48 48 ILE HG22 H 1 0.903 0.006 . 1 . . . . 48 ILE HG22 . 18899 1 510 . 1 1 48 48 ILE HG23 H 1 0.903 0.006 . 1 . . . . 48 ILE HG23 . 18899 1 511 . 1 1 48 48 ILE HD11 H 1 0.744 0.000 . 1 . . . . 48 ILE HD11 . 18899 1 512 . 1 1 48 48 ILE HD12 H 1 0.744 0.000 . 1 . . . . 48 ILE HD12 . 18899 1 513 . 1 1 48 48 ILE HD13 H 1 0.744 0.000 . 1 . . . . 48 ILE HD13 . 18899 1 514 . 1 1 48 48 ILE C C 13 176.382 0.000 . 1 . . . . 48 ILE C . 18899 1 515 . 1 1 48 48 ILE CA C 13 62.112 0.023 . 1 . . . . 48 ILE CA . 18899 1 516 . 1 1 48 48 ILE CB C 13 38.330 0.052 . 1 . . . . 48 ILE CB . 18899 1 517 . 1 1 48 48 ILE CG1 C 13 27.476 0.039 . 1 . . . . 48 ILE CG1 . 18899 1 518 . 1 1 48 48 ILE CG2 C 13 18.919 0.057 . 1 . . . . 48 ILE CG2 . 18899 1 519 . 1 1 48 48 ILE CD1 C 13 12.667 0.021 . 1 . . . . 48 ILE CD1 . 18899 1 520 . 1 1 48 48 ILE N N 15 119.259 0.049 . 1 . . . . 48 ILE N . 18899 1 521 . 1 1 49 49 THR H H 1 8.411 0.007 . 1 . . . . 49 THR H . 18899 1 522 . 1 1 49 49 THR HA H 1 4.312 0.008 . 1 . . . . 49 THR HA . 18899 1 523 . 1 1 49 49 THR HB H 1 4.320 0.006 . 1 . . . . 49 THR HB . 18899 1 524 . 1 1 49 49 THR HG21 H 1 1.120 0.003 . 1 . . . . 49 THR HG21 . 18899 1 525 . 1 1 49 49 THR HG22 H 1 1.120 0.003 . 1 . . . . 49 THR HG22 . 18899 1 526 . 1 1 49 49 THR HG23 H 1 1.120 0.003 . 1 . . . . 49 THR HG23 . 18899 1 527 . 1 1 49 49 THR C C 13 174.555 0.017 . 1 . . . . 49 THR C . 18899 1 528 . 1 1 49 49 THR CA C 13 61.150 0.128 . 1 . . . . 49 THR CA . 18899 1 529 . 1 1 49 49 THR CB C 13 70.007 0.080 . 1 . . . . 49 THR CB . 18899 1 530 . 1 1 49 49 THR CG2 C 13 21.434 0.066 . 1 . . . . 49 THR CG2 . 18899 1 531 . 1 1 49 49 THR N N 15 115.695 0.043 . 1 . . . . 49 THR N . 18899 1 532 . 1 1 50 50 ASP H H 1 7.747 0.003 . 1 . . . . 50 ASP H . 18899 1 533 . 1 1 50 50 ASP HA H 1 4.635 0.005 . 1 . . . . 50 ASP HA . 18899 1 534 . 1 1 50 50 ASP HB2 H 1 2.778 0.002 . 2 . . . . 50 ASP HB2 . 18899 1 535 . 1 1 50 50 ASP HB3 H 1 2.839 0.003 . 2 . . . . 50 ASP HB3 . 18899 1 536 . 1 1 50 50 ASP C C 13 176.747 0.007 . 1 . . . . 50 ASP C . 18899 1 537 . 1 1 50 50 ASP CA C 13 54.300 0.048 . 1 . . . . 50 ASP CA . 18899 1 538 . 1 1 50 50 ASP CB C 13 42.977 0.051 . 1 . . . . 50 ASP CB . 18899 1 539 . 1 1 50 50 ASP N N 15 124.018 0.047 . 1 . . . . 50 ASP N . 18899 1 540 . 1 1 51 51 LEU H H 1 8.953 0.004 . 1 . . . . 51 LEU H . 18899 1 541 . 1 1 51 51 LEU HA H 1 3.918 0.003 . 1 . . . . 51 LEU HA . 18899 1 542 . 1 1 51 51 LEU HB2 H 1 1.254 0.004 . 2 . . . . 51 LEU HB2 . 18899 1 543 . 1 1 51 51 LEU HB3 H 1 0.965 0.012 . 2 . . . . 51 LEU HB3 . 18899 1 544 . 1 1 51 51 LEU HD11 H 1 0.816 0.004 . 2 . . . . 51 LEU HD11 . 18899 1 545 . 1 1 51 51 LEU HD12 H 1 0.816 0.004 . 2 . . . . 51 LEU HD12 . 18899 1 546 . 1 1 51 51 LEU HD13 H 1 0.816 0.004 . 2 . . . . 51 LEU HD13 . 18899 1 547 . 1 1 51 51 LEU HD21 H 1 0.757 0.000 . 2 . . . . 51 LEU HD21 . 18899 1 548 . 1 1 51 51 LEU HD22 H 1 0.757 0.000 . 2 . . . . 51 LEU HD22 . 18899 1 549 . 1 1 51 51 LEU HD23 H 1 0.757 0.000 . 2 . . . . 51 LEU HD23 . 18899 1 550 . 1 1 51 51 LEU C C 13 178.958 0.009 . 1 . . . . 51 LEU C . 18899 1 551 . 1 1 51 51 LEU CA C 13 57.781 0.042 . 1 . . . . 51 LEU CA . 18899 1 552 . 1 1 51 51 LEU CB C 13 42.686 0.084 . 1 . . . . 51 LEU CB . 18899 1 553 . 1 1 51 51 LEU CD1 C 13 23.026 0.066 . 2 . . . . 51 LEU CD1 . 18899 1 554 . 1 1 51 51 LEU CD2 C 13 26.485 0.009 . 2 . . . . 51 LEU CD2 . 18899 1 555 . 1 1 51 51 LEU N N 15 126.437 0.045 . 1 . . . . 51 LEU N . 18899 1 556 . 1 1 52 52 PHE H H 1 8.019 0.004 . 1 . . . . 52 PHE H . 18899 1 557 . 1 1 52 52 PHE HA H 1 4.158 0.004 . 1 . . . . 52 PHE HA . 18899 1 558 . 1 1 52 52 PHE HB2 H 1 3.276 0.005 . 2 . . . . 52 PHE HB2 . 18899 1 559 . 1 1 52 52 PHE HB3 H 1 3.308 0.003 . 2 . . . . 52 PHE HB3 . 18899 1 560 . 1 1 52 52 PHE HD1 H 1 7.419 0.002 . 3 . . . . 52 PHE HD1 . 18899 1 561 . 1 1 52 52 PHE HD2 H 1 7.419 0.002 . 3 . . . . 52 PHE HD2 . 18899 1 562 . 1 1 52 52 PHE C C 13 178.080 0.004 . 1 . . . . 52 PHE C . 18899 1 563 . 1 1 52 52 PHE CA C 13 62.384 0.043 . 1 . . . . 52 PHE CA . 18899 1 564 . 1 1 52 52 PHE CB C 13 37.353 0.071 . 1 . . . . 52 PHE CB . 18899 1 565 . 1 1 52 52 PHE CD1 C 13 131.509 0.000 . 3 . . . . 52 PHE CD1 . 18899 1 566 . 1 1 52 52 PHE CD2 C 13 131.509 0.000 . 3 . . . . 52 PHE CD2 . 18899 1 567 . 1 1 52 52 PHE N N 15 117.785 0.052 . 1 . . . . 52 PHE N . 18899 1 568 . 1 1 53 53 GLU H H 1 8.234 0.005 . 1 . . . . 53 GLU H . 18899 1 569 . 1 1 53 53 GLU HA H 1 3.983 0.003 . 1 . . . . 53 GLU HA . 18899 1 570 . 1 1 53 53 GLU HB2 H 1 2.080 0.002 . 1 . . . . 53 GLU HB2 . 18899 1 571 . 1 1 53 53 GLU HB3 H 1 2.080 0.002 . 1 . . . . 53 GLU HB3 . 18899 1 572 . 1 1 53 53 GLU HG2 H 1 2.209 0.001 . 1 . . . . 53 GLU HG2 . 18899 1 573 . 1 1 53 53 GLU HG3 H 1 2.209 0.001 . 1 . . . . 53 GLU HG3 . 18899 1 574 . 1 1 53 53 GLU C C 13 180.142 0.000 . 1 . . . . 53 GLU C . 18899 1 575 . 1 1 53 53 GLU CA C 13 59.591 0.052 . 1 . . . . 53 GLU CA . 18899 1 576 . 1 1 53 53 GLU CB C 13 29.513 0.027 . 1 . . . . 53 GLU CB . 18899 1 577 . 1 1 53 53 GLU CG C 13 35.984 0.037 . 1 . . . . 53 GLU CG . 18899 1 578 . 1 1 53 53 GLU N N 15 121.807 0.053 . 1 . . . . 53 GLU N . 18899 1 579 . 1 1 54 54 VAL H H 1 8.232 0.004 . 1 . . . . 54 VAL H . 18899 1 580 . 1 1 54 54 VAL HA H 1 3.233 0.004 . 1 . . . . 54 VAL HA . 18899 1 581 . 1 1 54 54 VAL HB H 1 1.918 0.001 . 1 . . . . 54 VAL HB . 18899 1 582 . 1 1 54 54 VAL HG11 H 1 0.942 0.002 . 2 . . . . 54 VAL HG11 . 18899 1 583 . 1 1 54 54 VAL HG12 H 1 0.942 0.002 . 2 . . . . 54 VAL HG12 . 18899 1 584 . 1 1 54 54 VAL HG13 H 1 0.942 0.002 . 2 . . . . 54 VAL HG13 . 18899 1 585 . 1 1 54 54 VAL HG21 H 1 0.469 0.006 . 2 . . . . 54 VAL HG21 . 18899 1 586 . 1 1 54 54 VAL HG22 H 1 0.469 0.006 . 2 . . . . 54 VAL HG22 . 18899 1 587 . 1 1 54 54 VAL HG23 H 1 0.469 0.006 . 2 . . . . 54 VAL HG23 . 18899 1 588 . 1 1 54 54 VAL C C 13 177.754 0.000 . 1 . . . . 54 VAL C . 18899 1 589 . 1 1 54 54 VAL CA C 13 68.142 0.049 . 1 . . . . 54 VAL CA . 18899 1 590 . 1 1 54 54 VAL CB C 13 30.467 0.094 . 1 . . . . 54 VAL CB . 18899 1 591 . 1 1 54 54 VAL CG1 C 13 23.521 0.073 . 2 . . . . 54 VAL CG1 . 18899 1 592 . 1 1 54 54 VAL CG2 C 13 23.786 0.061 . 2 . . . . 54 VAL CG2 . 18899 1 593 . 1 1 54 54 VAL N N 15 120.670 0.054 . 1 . . . . 54 VAL N . 18899 1 594 . 1 1 55 55 SER H H 1 8.430 0.006 . 1 . . . . 55 SER H . 18899 1 595 . 1 1 55 55 SER HA H 1 3.667 0.003 . 1 . . . . 55 SER HA . 18899 1 596 . 1 1 55 55 SER HB2 H 1 3.921 0.000 . 1 . . . . 55 SER HB2 . 18899 1 597 . 1 1 55 55 SER HB3 H 1 3.921 0.000 . 1 . . . . 55 SER HB3 . 18899 1 598 . 1 1 55 55 SER C C 13 176.493 0.010 . 1 . . . . 55 SER C . 18899 1 599 . 1 1 55 55 SER CA C 13 63.161 0.105 . 1 . . . . 55 SER CA . 18899 1 600 . 1 1 55 55 SER CB C 13 63.615 0.006 . 1 . . . . 55 SER CB . 18899 1 601 . 1 1 55 55 SER N N 15 115.397 0.064 . 1 . . . . 55 SER N . 18899 1 602 . 1 1 56 56 ALA H H 1 8.210 0.005 . 1 . . . . 56 ALA H . 18899 1 603 . 1 1 56 56 ALA HA H 1 3.939 0.001 . 1 . . . . 56 ALA HA . 18899 1 604 . 1 1 56 56 ALA HB1 H 1 1.619 0.005 . 1 . . . . 56 ALA HB1 . 18899 1 605 . 1 1 56 56 ALA HB2 H 1 1.619 0.005 . 1 . . . . 56 ALA HB2 . 18899 1 606 . 1 1 56 56 ALA HB3 H 1 1.619 0.005 . 1 . . . . 56 ALA HB3 . 18899 1 607 . 1 1 56 56 ALA C C 13 178.241 0.000 . 1 . . . . 56 ALA C . 18899 1 608 . 1 1 56 56 ALA CA C 13 55.062 0.032 . 1 . . . . 56 ALA CA . 18899 1 609 . 1 1 56 56 ALA CB C 13 20.987 0.009 . 1 . . . . 56 ALA CB . 18899 1 610 . 1 1 56 56 ALA N N 15 118.981 0.067 . 1 . . . . 56 ALA N . 18899 1 611 . 1 1 57 57 THR H H 1 7.839 0.004 . 1 . . . . 57 THR H . 18899 1 612 . 1 1 57 57 THR HA H 1 4.368 0.006 . 1 . . . . 57 THR HA . 18899 1 613 . 1 1 57 57 THR HB H 1 4.392 0.015 . 1 . . . . 57 THR HB . 18899 1 614 . 1 1 57 57 THR HG21 H 1 1.122 0.003 . 1 . . . . 57 THR HG21 . 18899 1 615 . 1 1 57 57 THR HG22 H 1 1.122 0.003 . 1 . . . . 57 THR HG22 . 18899 1 616 . 1 1 57 57 THR HG23 H 1 1.122 0.003 . 1 . . . . 57 THR HG23 . 18899 1 617 . 1 1 57 57 THR C C 13 177.087 0.000 . 1 . . . . 57 THR C . 18899 1 618 . 1 1 57 57 THR CA C 13 67.631 0.047 . 1 . . . . 57 THR CA . 18899 1 619 . 1 1 57 57 THR CG2 C 13 21.808 0.032 . 1 . . . . 57 THR CG2 . 18899 1 620 . 1 1 57 57 THR N N 15 116.159 0.050 . 1 . . . . 57 THR N . 18899 1 621 . 1 1 58 58 TYR H H 1 7.948 0.004 . 1 . . . . 58 TYR H . 18899 1 622 . 1 1 58 58 TYR HA H 1 3.860 0.001 . 1 . . . . 58 TYR HA . 18899 1 623 . 1 1 58 58 TYR HB2 H 1 3.081 0.005 . 1 . . . . 58 TYR HB2 . 18899 1 624 . 1 1 58 58 TYR HB3 H 1 3.081 0.005 . 1 . . . . 58 TYR HB3 . 18899 1 625 . 1 1 58 58 TYR HD1 H 1 6.729 0.002 . 3 . . . . 58 TYR HD1 . 18899 1 626 . 1 1 58 58 TYR HD2 H 1 6.729 0.002 . 3 . . . . 58 TYR HD2 . 18899 1 627 . 1 1 58 58 TYR HE1 H 1 6.581 0.000 . 3 . . . . 58 TYR HE1 . 18899 1 628 . 1 1 58 58 TYR HE2 H 1 6.581 0.000 . 3 . . . . 58 TYR HE2 . 18899 1 629 . 1 1 58 58 TYR C C 13 178.757 0.000 . 1 . . . . 58 TYR C . 18899 1 630 . 1 1 58 58 TYR CA C 13 64.555 0.024 . 1 . . . . 58 TYR CA . 18899 1 631 . 1 1 58 58 TYR CB C 13 38.292 0.076 . 1 . . . . 58 TYR CB . 18899 1 632 . 1 1 58 58 TYR CD1 C 13 132.179 0.000 . 3 . . . . 58 TYR CD1 . 18899 1 633 . 1 1 58 58 TYR CD2 C 13 132.179 0.000 . 3 . . . . 58 TYR CD2 . 18899 1 634 . 1 1 58 58 TYR CE1 C 13 118.720 0.000 . 3 . . . . 58 TYR CE1 . 18899 1 635 . 1 1 58 58 TYR CE2 C 13 118.720 0.000 . 3 . . . . 58 TYR CE2 . 18899 1 636 . 1 1 58 58 TYR N N 15 120.256 0.048 . 1 . . . . 58 TYR N . 18899 1 637 . 1 1 59 59 LEU H H 1 8.257 0.006 . 1 . . . . 59 LEU H . 18899 1 638 . 1 1 59 59 LEU HA H 1 3.889 0.005 . 1 . . . . 59 LEU HA . 18899 1 639 . 1 1 59 59 LEU HB2 H 1 1.894 0.004 . 1 . . . . 59 LEU HB2 . 18899 1 640 . 1 1 59 59 LEU HB3 H 1 1.894 0.004 . 1 . . . . 59 LEU HB3 . 18899 1 641 . 1 1 59 59 LEU HG H 1 1.524 0.005 . 1 . . . . 59 LEU HG . 18899 1 642 . 1 1 59 59 LEU HD11 H 1 0.868 0.005 . 2 . . . . 59 LEU HD11 . 18899 1 643 . 1 1 59 59 LEU HD12 H 1 0.868 0.005 . 2 . . . . 59 LEU HD12 . 18899 1 644 . 1 1 59 59 LEU HD13 H 1 0.868 0.005 . 2 . . . . 59 LEU HD13 . 18899 1 645 . 1 1 59 59 LEU HD21 H 1 0.818 0.003 . 2 . . . . 59 LEU HD21 . 18899 1 646 . 1 1 59 59 LEU HD22 H 1 0.818 0.003 . 2 . . . . 59 LEU HD22 . 18899 1 647 . 1 1 59 59 LEU HD23 H 1 0.818 0.003 . 2 . . . . 59 LEU HD23 . 18899 1 648 . 1 1 59 59 LEU C C 13 178.733 0.000 . 1 . . . . 59 LEU C . 18899 1 649 . 1 1 59 59 LEU CA C 13 60.224 0.078 . 1 . . . . 59 LEU CA . 18899 1 650 . 1 1 59 59 LEU CB C 13 43.026 0.113 . 1 . . . . 59 LEU CB . 18899 1 651 . 1 1 59 59 LEU CG C 13 28.907 0.033 . 1 . . . . 59 LEU CG . 18899 1 652 . 1 1 59 59 LEU CD1 C 13 26.103 0.053 . 2 . . . . 59 LEU CD1 . 18899 1 653 . 1 1 59 59 LEU CD2 C 13 24.676 0.044 . 2 . . . . 59 LEU CD2 . 18899 1 654 . 1 1 59 59 LEU N N 15 121.167 0.067 . 1 . . . . 59 LEU N . 18899 1 655 . 1 1 60 60 VAL H H 1 8.801 0.005 . 1 . . . . 60 VAL H . 18899 1 656 . 1 1 60 60 VAL HA H 1 3.323 0.004 . 1 . . . . 60 VAL HA . 18899 1 657 . 1 1 60 60 VAL HB H 1 2.036 0.005 . 1 . . . . 60 VAL HB . 18899 1 658 . 1 1 60 60 VAL HG11 H 1 0.949 0.007 . 2 . . . . 60 VAL HG11 . 18899 1 659 . 1 1 60 60 VAL HG12 H 1 0.949 0.007 . 2 . . . . 60 VAL HG12 . 18899 1 660 . 1 1 60 60 VAL HG13 H 1 0.949 0.007 . 2 . . . . 60 VAL HG13 . 18899 1 661 . 1 1 60 60 VAL HG21 H 1 1.090 0.003 . 2 . . . . 60 VAL HG21 . 18899 1 662 . 1 1 60 60 VAL HG22 H 1 1.090 0.003 . 2 . . . . 60 VAL HG22 . 18899 1 663 . 1 1 60 60 VAL HG23 H 1 1.090 0.003 . 2 . . . . 60 VAL HG23 . 18899 1 664 . 1 1 60 60 VAL C C 13 177.156 0.000 . 1 . . . . 60 VAL C . 18899 1 665 . 1 1 60 60 VAL CA C 13 67.772 0.000 . 1 . . . . 60 VAL CA . 18899 1 666 . 1 1 60 60 VAL CB C 13 31.975 0.013 . 1 . . . . 60 VAL CB . 18899 1 667 . 1 1 60 60 VAL CG1 C 13 21.456 0.000 . 2 . . . . 60 VAL CG1 . 18899 1 668 . 1 1 60 60 VAL CG2 C 13 23.852 0.000 . 2 . . . . 60 VAL CG2 . 18899 1 669 . 1 1 60 60 VAL N N 15 118.174 0.056 . 1 . . . . 60 VAL N . 18899 1 670 . 1 1 61 61 ALA H H 1 8.199 0.006 . 1 . . . . 61 ALA H . 18899 1 671 . 1 1 61 61 ALA HA H 1 4.043 0.004 . 1 . . . . 61 ALA HA . 18899 1 672 . 1 1 61 61 ALA HB1 H 1 1.304 0.007 . 1 . . . . 61 ALA HB1 . 18899 1 673 . 1 1 61 61 ALA HB2 H 1 1.304 0.007 . 1 . . . . 61 ALA HB2 . 18899 1 674 . 1 1 61 61 ALA HB3 H 1 1.304 0.007 . 1 . . . . 61 ALA HB3 . 18899 1 675 . 1 1 61 61 ALA C C 13 181.541 0.000 . 1 . . . . 61 ALA C . 18899 1 676 . 1 1 61 61 ALA CA C 13 55.148 0.071 . 1 . . . . 61 ALA CA . 18899 1 677 . 1 1 61 61 ALA CB C 13 18.955 0.012 . 1 . . . . 61 ALA CB . 18899 1 678 . 1 1 61 61 ALA N N 15 119.230 0.063 . 1 . . . . 61 ALA N . 18899 1 679 . 1 1 62 62 THR H H 1 7.866 0.007 . 1 . . . . 62 THR H . 18899 1 680 . 1 1 62 62 THR HA H 1 3.950 0.005 . 1 . . . . 62 THR HA . 18899 1 681 . 1 1 62 62 THR HB H 1 4.233 0.009 . 1 . . . . 62 THR HB . 18899 1 682 . 1 1 62 62 THR HG21 H 1 1.337 0.002 . 1 . . . . 62 THR HG21 . 18899 1 683 . 1 1 62 62 THR HG22 H 1 1.337 0.002 . 1 . . . . 62 THR HG22 . 18899 1 684 . 1 1 62 62 THR HG23 H 1 1.337 0.002 . 1 . . . . 62 THR HG23 . 18899 1 685 . 1 1 62 62 THR C C 13 177.590 0.000 . 1 . . . . 62 THR C . 18899 1 686 . 1 1 62 62 THR CA C 13 66.058 0.043 . 1 . . . . 62 THR CA . 18899 1 687 . 1 1 62 62 THR CB C 13 68.079 0.100 . 1 . . . . 62 THR CB . 18899 1 688 . 1 1 62 62 THR CG2 C 13 22.144 0.022 . 1 . . . . 62 THR CG2 . 18899 1 689 . 1 1 62 62 THR N N 15 110.336 0.064 . 1 . . . . 62 THR N . 18899 1 690 . 1 1 63 63 ALA H H 1 8.894 0.004 . 1 . . . . 63 ALA H . 18899 1 691 . 1 1 63 63 ALA HA H 1 3.872 0.009 . 1 . . . . 63 ALA HA . 18899 1 692 . 1 1 63 63 ALA HB1 H 1 1.413 0.005 . 1 . . . . 63 ALA HB1 . 18899 1 693 . 1 1 63 63 ALA HB2 H 1 1.413 0.005 . 1 . . . . 63 ALA HB2 . 18899 1 694 . 1 1 63 63 ALA HB3 H 1 1.413 0.005 . 1 . . . . 63 ALA HB3 . 18899 1 695 . 1 1 63 63 ALA C C 13 179.223 0.000 . 1 . . . . 63 ALA C . 18899 1 696 . 1 1 63 63 ALA CA C 13 55.989 0.001 . 1 . . . . 63 ALA CA . 18899 1 697 . 1 1 63 63 ALA CB C 13 17.639 0.021 . 1 . . . . 63 ALA CB . 18899 1 698 . 1 1 63 63 ALA N N 15 125.868 0.052 . 1 . . . . 63 ALA N . 18899 1 699 . 1 1 64 64 ARG H H 1 8.068 0.006 . 1 . . . . 64 ARG H . 18899 1 700 . 1 1 64 64 ARG HA H 1 4.496 0.001 . 1 . . . . 64 ARG HA . 18899 1 701 . 1 1 64 64 ARG HB2 H 1 2.059 0.000 . 2 . . . . 64 ARG HB2 . 18899 1 702 . 1 1 64 64 ARG HB3 H 1 1.812 0.007 . 2 . . . . 64 ARG HB3 . 18899 1 703 . 1 1 64 64 ARG C C 13 178.016 0.000 . 1 . . . . 64 ARG C . 18899 1 704 . 1 1 64 64 ARG CA C 13 56.744 0.002 . 1 . . . . 64 ARG CA . 18899 1 705 . 1 1 64 64 ARG CB C 13 30.823 0.002 . 1 . . . . 64 ARG CB . 18899 1 706 . 1 1 64 64 ARG N N 15 112.517 0.067 . 1 . . . . 64 ARG N . 18899 1 707 . 1 1 65 65 GLY H H 1 7.472 0.006 . 1 . . . . 65 GLY H . 18899 1 708 . 1 1 65 65 GLY HA2 H 1 3.983 0.004 . 2 . . . . 65 GLY HA2 . 18899 1 709 . 1 1 65 65 GLY HA3 H 1 3.491 0.003 . 2 . . . . 65 GLY HA3 . 18899 1 710 . 1 1 65 65 GLY C C 13 177.127 4.064 . 1 . . . . 65 GLY C . 18899 1 711 . 1 1 65 65 GLY CA C 13 46.881 0.026 . 1 . . . . 65 GLY CA . 18899 1 712 . 1 1 65 65 GLY N N 15 106.363 0.034 . 1 . . . . 65 GLY N . 18899 1 713 . 1 1 66 66 HIS H H 1 8.604 0.015 . 1 . . . . 66 HIS H . 18899 1 714 . 1 1 66 66 HIS HA H 1 3.951 0.002 . 1 . . . . 66 HIS HA . 18899 1 715 . 1 1 66 66 HIS HB2 H 1 3.439 0.017 . 2 . . . . 66 HIS HB2 . 18899 1 716 . 1 1 66 66 HIS HB3 H 1 2.985 0.002 . 2 . . . . 66 HIS HB3 . 18899 1 717 . 1 1 66 66 HIS C C 13 174.686 0.000 . 1 . . . . 66 HIS C . 18899 1 718 . 1 1 66 66 HIS CA C 13 56.525 0.081 . 1 . . . . 66 HIS CA . 18899 1 719 . 1 1 66 66 HIS CB C 13 27.416 0.065 . 1 . . . . 66 HIS CB . 18899 1 720 . 1 1 66 66 HIS N N 15 118.998 0.078 . 1 . . . . 66 HIS N . 18899 1 721 . 1 1 67 67 ILE H H 1 9.105 0.005 . 1 . . . . 67 ILE H . 18899 1 722 . 1 1 67 67 ILE HA H 1 3.223 0.005 . 1 . . . . 67 ILE HA . 18899 1 723 . 1 1 67 67 ILE HB H 1 1.304 0.000 . 1 . . . . 67 ILE HB . 18899 1 724 . 1 1 67 67 ILE HG12 H 1 1.110 0.000 . 2 . . . . 67 ILE HG12 . 18899 1 725 . 1 1 67 67 ILE HG13 H 1 0.493 0.000 . 2 . . . . 67 ILE HG13 . 18899 1 726 . 1 1 67 67 ILE HG21 H 1 -0.218 0.000 . 1 . . . . 67 ILE HG21 . 18899 1 727 . 1 1 67 67 ILE HG22 H 1 -0.218 0.000 . 1 . . . . 67 ILE HG22 . 18899 1 728 . 1 1 67 67 ILE HG23 H 1 -0.218 0.000 . 1 . . . . 67 ILE HG23 . 18899 1 729 . 1 1 67 67 ILE HD11 H 1 0.767 0.003 . 1 . . . . 67 ILE HD11 . 18899 1 730 . 1 1 67 67 ILE HD12 H 1 0.767 0.003 . 1 . . . . 67 ILE HD12 . 18899 1 731 . 1 1 67 67 ILE HD13 H 1 0.767 0.003 . 1 . . . . 67 ILE HD13 . 18899 1 732 . 1 1 67 67 ILE C C 13 175.640 0.012 . 1 . . . . 67 ILE C . 18899 1 733 . 1 1 67 67 ILE CA C 13 64.352 0.037 . 1 . . . . 67 ILE CA . 18899 1 734 . 1 1 67 67 ILE CB C 13 38.542 0.051 . 1 . . . . 67 ILE CB . 18899 1 735 . 1 1 67 67 ILE CG1 C 13 29.161 0.001 . 1 . . . . 67 ILE CG1 . 18899 1 736 . 1 1 67 67 ILE CG2 C 13 17.622 0.006 . 1 . . . . 67 ILE CG2 . 18899 1 737 . 1 1 67 67 ILE CD1 C 13 14.303 0.050 . 1 . . . . 67 ILE CD1 . 18899 1 738 . 1 1 67 67 ILE N N 15 118.480 0.047 . 1 . . . . 67 ILE N . 18899 1 739 . 1 1 68 68 PHE H H 1 8.362 0.011 . 1 . . . . 68 PHE H . 18899 1 740 . 1 1 68 68 PHE HD1 H 1 7.225 0.000 . 3 . . . . 68 PHE HD1 . 18899 1 741 . 1 1 68 68 PHE HD2 H 1 7.225 0.000 . 3 . . . . 68 PHE HD2 . 18899 1 742 . 1 1 68 68 PHE CA C 13 55.983 0.000 . 1 . . . . 68 PHE CA . 18899 1 743 . 1 1 68 68 PHE N N 15 114.332 0.087 . 1 . . . . 68 PHE N . 18899 1 744 . 1 1 70 70 ASP HA H 1 5.004 0.000 . 1 . . . . 70 ASP HA . 18899 1 745 . 1 1 70 70 ASP HB2 H 1 2.892 0.003 . 1 . . . . 70 ASP HB2 . 18899 1 746 . 1 1 70 70 ASP HB3 H 1 2.892 0.003 . 1 . . . . 70 ASP HB3 . 18899 1 747 . 1 1 70 70 ASP CA C 13 52.723 0.000 . 1 . . . . 70 ASP CA . 18899 1 748 . 1 1 70 70 ASP CB C 13 45.433 0.000 . 1 . . . . 70 ASP CB . 18899 1 749 . 1 1 71 71 ALA HA H 1 4.725 0.000 . 1 . . . . 71 ALA HA . 18899 1 750 . 1 1 71 71 ALA HB1 H 1 1.291 0.001 . 1 . . . . 71 ALA HB1 . 18899 1 751 . 1 1 71 71 ALA HB2 H 1 1.291 0.001 . 1 . . . . 71 ALA HB2 . 18899 1 752 . 1 1 71 71 ALA HB3 H 1 1.291 0.001 . 1 . . . . 71 ALA HB3 . 18899 1 753 . 1 1 71 71 ALA CA C 13 52.674 0.000 . 1 . . . . 71 ALA CA . 18899 1 754 . 1 1 71 71 ALA CB C 13 16.132 0.000 . 1 . . . . 71 ALA CB . 18899 1 755 . 1 1 73 73 LYS HA H 1 4.152 0.010 . 1 . . . . 73 LYS HA . 18899 1 756 . 1 1 73 73 LYS HB2 H 1 1.919 0.000 . 1 . . . . 73 LYS HB2 . 18899 1 757 . 1 1 73 73 LYS HB3 H 1 1.919 0.000 . 1 . . . . 73 LYS HB3 . 18899 1 758 . 1 1 73 73 LYS HD2 H 1 1.629 0.000 . 2 . . . . 73 LYS HD2 . 18899 1 759 . 1 1 73 73 LYS HD3 H 1 1.861 0.000 . 2 . . . . 73 LYS HD3 . 18899 1 760 . 1 1 73 73 LYS HE2 H 1 3.047 0.000 . 2 . . . . 73 LYS HE2 . 18899 1 761 . 1 1 73 73 LYS HE3 H 1 3.167 0.003 . 2 . . . . 73 LYS HE3 . 18899 1 762 . 1 1 73 73 LYS C C 13 176.254 0.000 . 1 . . . . 73 LYS C . 18899 1 763 . 1 1 73 73 LYS CA C 13 56.703 0.000 . 1 . . . . 73 LYS CA . 18899 1 764 . 1 1 73 73 LYS CB C 13 30.404 0.000 . 1 . . . . 73 LYS CB . 18899 1 765 . 1 1 73 73 LYS CG C 13 26.055 0.000 . 1 . . . . 73 LYS CG . 18899 1 766 . 1 1 73 73 LYS CD C 13 28.857 0.009 . 1 . . . . 73 LYS CD . 18899 1 767 . 1 1 73 73 LYS CE C 13 40.444 0.001 . 1 . . . . 73 LYS CE . 18899 1 768 . 1 1 74 74 ARG H H 1 8.259 0.015 . 1 . . . . 74 ARG H . 18899 1 769 . 1 1 74 74 ARG CA C 13 55.900 0.000 . 1 . . . . 74 ARG CA . 18899 1 770 . 1 1 74 74 ARG CB C 13 30.186 0.000 . 1 . . . . 74 ARG CB . 18899 1 771 . 1 1 74 74 ARG N N 15 119.422 0.049 . 1 . . . . 74 ARG N . 18899 1 772 . 1 1 75 75 THR C C 13 175.586 0.000 . 1 . . . . 75 THR C . 18899 1 773 . 1 1 76 76 ALA H H 1 8.567 0.013 . 1 . . . . 76 ALA H . 18899 1 774 . 1 1 76 76 ALA HA H 1 4.155 0.005 . 1 . . . . 76 ALA HA . 18899 1 775 . 1 1 76 76 ALA HB1 H 1 1.798 0.003 . 1 . . . . 76 ALA HB1 . 18899 1 776 . 1 1 76 76 ALA HB2 H 1 1.798 0.003 . 1 . . . . 76 ALA HB2 . 18899 1 777 . 1 1 76 76 ALA HB3 H 1 1.798 0.003 . 1 . . . . 76 ALA HB3 . 18899 1 778 . 1 1 76 76 ALA C C 13 180.114 0.000 . 1 . . . . 76 ALA C . 18899 1 779 . 1 1 76 76 ALA CA C 13 55.959 0.014 . 1 . . . . 76 ALA CA . 18899 1 780 . 1 1 76 76 ALA CB C 13 19.296 0.031 . 1 . . . . 76 ALA CB . 18899 1 781 . 1 1 76 76 ALA N N 15 127.453 0.043 . 1 . . . . 76 ALA N . 18899 1 782 . 1 1 77 77 LEU H H 1 7.993 0.008 . 1 . . . . 77 LEU H . 18899 1 783 . 1 1 77 77 LEU HA H 1 4.043 0.000 . 1 . . . . 77 LEU HA . 18899 1 784 . 1 1 77 77 LEU HB2 H 1 1.837 0.000 . 1 . . . . 77 LEU HB2 . 18899 1 785 . 1 1 77 77 LEU HB3 H 1 1.837 0.000 . 1 . . . . 77 LEU HB3 . 18899 1 786 . 1 1 77 77 LEU HG H 1 1.658 0.000 . 1 . . . . 77 LEU HG . 18899 1 787 . 1 1 77 77 LEU HD11 H 1 0.902 0.000 . 2 . . . . 77 LEU HD11 . 18899 1 788 . 1 1 77 77 LEU HD12 H 1 0.902 0.000 . 2 . . . . 77 LEU HD12 . 18899 1 789 . 1 1 77 77 LEU HD13 H 1 0.902 0.000 . 2 . . . . 77 LEU HD13 . 18899 1 790 . 1 1 77 77 LEU HD21 H 1 0.933 0.000 . 2 . . . . 77 LEU HD21 . 18899 1 791 . 1 1 77 77 LEU HD22 H 1 0.933 0.000 . 2 . . . . 77 LEU HD22 . 18899 1 792 . 1 1 77 77 LEU HD23 H 1 0.933 0.000 . 2 . . . . 77 LEU HD23 . 18899 1 793 . 1 1 77 77 LEU C C 13 178.116 0.016 . 1 . . . . 77 LEU C . 18899 1 794 . 1 1 77 77 LEU CA C 13 58.223 0.000 . 1 . . . . 77 LEU CA . 18899 1 795 . 1 1 77 77 LEU CB C 13 40.973 0.000 . 1 . . . . 77 LEU CB . 18899 1 796 . 1 1 77 77 LEU CG C 13 27.045 0.000 . 1 . . . . 77 LEU CG . 18899 1 797 . 1 1 77 77 LEU CD1 C 13 25.692 0.000 . 2 . . . . 77 LEU CD1 . 18899 1 798 . 1 1 77 77 LEU CD2 C 13 23.461 0.000 . 2 . . . . 77 LEU CD2 . 18899 1 799 . 1 1 77 77 LEU N N 15 119.022 0.042 . 1 . . . . 77 LEU N . 18899 1 800 . 1 1 78 78 ASN H H 1 8.186 0.018 . 1 . . . . 78 ASN H . 18899 1 801 . 1 1 78 78 ASN HA H 1 4.403 0.003 . 1 . . . . 78 ASN HA . 18899 1 802 . 1 1 78 78 ASN HB2 H 1 2.908 0.008 . 2 . . . . 78 ASN HB2 . 18899 1 803 . 1 1 78 78 ASN HB3 H 1 2.840 0.000 . 1 . . . . 78 ASN HB3 . 18899 1 804 . 1 1 78 78 ASN HD21 H 1 7.191 0.003 . 1 . . . . 78 ASN HD21 . 18899 1 805 . 1 1 78 78 ASN HD22 H 1 7.517 0.005 . 1 . . . . 78 ASN HD22 . 18899 1 806 . 1 1 78 78 ASN C C 13 178.830 0.000 . 1 . . . . 78 ASN C . 18899 1 807 . 1 1 78 78 ASN CA C 13 56.280 0.036 . 1 . . . . 78 ASN CA . 18899 1 808 . 1 1 78 78 ASN CB C 13 39.111 0.101 . 1 . . . . 78 ASN CB . 18899 1 809 . 1 1 78 78 ASN N N 15 115.478 0.018 . 1 . . . . 78 ASN N . 18899 1 810 . 1 1 78 78 ASN ND2 N 15 110.245 0.036 . 1 . . . . 78 ASN ND2 . 18899 1 811 . 1 1 79 79 SER H H 1 8.924 0.005 . 1 . . . . 79 SER H . 18899 1 812 . 1 1 79 79 SER HA H 1 4.272 0.003 . 1 . . . . 79 SER HA . 18899 1 813 . 1 1 79 79 SER HB2 H 1 3.673 0.001 . 2 . . . . 79 SER HB2 . 18899 1 814 . 1 1 79 79 SER HB3 H 1 3.845 0.004 . 2 . . . . 79 SER HB3 . 18899 1 815 . 1 1 79 79 SER C C 13 174.189 0.000 . 1 . . . . 79 SER C . 18899 1 816 . 1 1 79 79 SER CA C 13 62.696 0.000 . 1 . . . . 79 SER CA . 18899 1 817 . 1 1 79 79 SER CB C 13 62.726 0.000 . 1 . . . . 79 SER CB . 18899 1 818 . 1 1 79 79 SER N N 15 118.681 0.047 . 1 . . . . 79 SER N . 18899 1 819 . 1 1 80 80 ALA H H 1 7.463 0.004 . 1 . . . . 80 ALA H . 18899 1 820 . 1 1 80 80 ALA HA H 1 4.024 0.002 . 1 . . . . 80 ALA HA . 18899 1 821 . 1 1 80 80 ALA HB1 H 1 1.595 0.000 . 1 . . . . 80 ALA HB1 . 18899 1 822 . 1 1 80 80 ALA HB2 H 1 1.595 0.000 . 1 . . . . 80 ALA HB2 . 18899 1 823 . 1 1 80 80 ALA HB3 H 1 1.595 0.000 . 1 . . . . 80 ALA HB3 . 18899 1 824 . 1 1 80 80 ALA C C 13 181.004 0.000 . 1 . . . . 80 ALA C . 18899 1 825 . 1 1 80 80 ALA CA C 13 55.548 0.035 . 1 . . . . 80 ALA CA . 18899 1 826 . 1 1 80 80 ALA CB C 13 19.485 0.092 . 1 . . . . 80 ALA CB . 18899 1 827 . 1 1 80 80 ALA N N 15 127.294 0.056 . 1 . . . . 80 ALA N . 18899 1 828 . 1 1 81 81 LEU H H 1 7.967 0.008 . 1 . . . . 81 LEU H . 18899 1 829 . 1 1 81 81 LEU HG H 1 1.852 0.000 . 1 . . . . 81 LEU HG . 18899 1 830 . 1 1 81 81 LEU HD11 H 1 0.815 0.001 . 2 . . . . 81 LEU HD11 . 18899 1 831 . 1 1 81 81 LEU HD12 H 1 0.815 0.001 . 2 . . . . 81 LEU HD12 . 18899 1 832 . 1 1 81 81 LEU HD13 H 1 0.815 0.001 . 2 . . . . 81 LEU HD13 . 18899 1 833 . 1 1 81 81 LEU HD21 H 1 0.688 0.002 . 2 . . . . 81 LEU HD21 . 18899 1 834 . 1 1 81 81 LEU HD22 H 1 0.688 0.002 . 2 . . . . 81 LEU HD22 . 18899 1 835 . 1 1 81 81 LEU HD23 H 1 0.688 0.002 . 2 . . . . 81 LEU HD23 . 18899 1 836 . 1 1 81 81 LEU C C 13 178.563 0.000 . 1 . . . . 81 LEU C . 18899 1 837 . 1 1 81 81 LEU CA C 13 58.026 0.000 . 1 . . . . 81 LEU CA . 18899 1 838 . 1 1 81 81 LEU CB C 13 40.835 0.030 . 1 . . . . 81 LEU CB . 18899 1 839 . 1 1 81 81 LEU CG C 13 27.356 0.010 . 1 . . . . 81 LEU CG . 18899 1 840 . 1 1 81 81 LEU CD1 C 13 24.682 0.002 . 2 . . . . 81 LEU CD1 . 18899 1 841 . 1 1 81 81 LEU CD2 C 13 21.672 0.035 . 2 . . . . 81 LEU CD2 . 18899 1 842 . 1 1 81 81 LEU N N 15 117.365 0.053 . 1 . . . . 81 LEU N . 18899 1 843 . 1 1 82 82 LEU H H 1 8.341 0.018 . 1 . . . . 82 LEU H . 18899 1 844 . 1 1 82 82 LEU HA H 1 4.014 0.004 . 1 . . . . 82 LEU HA . 18899 1 845 . 1 1 82 82 LEU HB2 H 1 1.502 0.003 . 2 . . . . 82 LEU HB2 . 18899 1 846 . 1 1 82 82 LEU HB3 H 1 1.801 0.000 . 2 . . . . 82 LEU HB3 . 18899 1 847 . 1 1 82 82 LEU HG H 1 1.259 0.000 . 1 . . . . 82 LEU HG . 18899 1 848 . 1 1 82 82 LEU HD11 H 1 0.892 0.000 . 2 . . . . 82 LEU HD11 . 18899 1 849 . 1 1 82 82 LEU HD12 H 1 0.892 0.000 . 2 . . . . 82 LEU HD12 . 18899 1 850 . 1 1 82 82 LEU HD13 H 1 0.892 0.000 . 2 . . . . 82 LEU HD13 . 18899 1 851 . 1 1 82 82 LEU HD21 H 1 0.815 0.000 . 2 . . . . 82 LEU HD21 . 18899 1 852 . 1 1 82 82 LEU HD22 H 1 0.815 0.000 . 2 . . . . 82 LEU HD22 . 18899 1 853 . 1 1 82 82 LEU HD23 H 1 0.815 0.000 . 2 . . . . 82 LEU HD23 . 18899 1 854 . 1 1 82 82 LEU C C 13 177.928 0.000 . 1 . . . . 82 LEU C . 18899 1 855 . 1 1 82 82 LEU CA C 13 57.864 0.017 . 1 . . . . 82 LEU CA . 18899 1 856 . 1 1 82 82 LEU CB C 13 41.461 0.000 . 1 . . . . 82 LEU CB . 18899 1 857 . 1 1 82 82 LEU CG C 13 27.231 0.000 . 1 . . . . 82 LEU CG . 18899 1 858 . 1 1 82 82 LEU CD1 C 13 23.032 0.000 . 2 . . . . 82 LEU CD1 . 18899 1 859 . 1 1 82 82 LEU CD2 C 13 26.100 0.000 . 2 . . . . 82 LEU CD2 . 18899 1 860 . 1 1 82 82 LEU N N 15 121.622 0.154 . 1 . . . . 82 LEU N . 18899 1 861 . 1 1 83 83 PHE H H 1 8.153 0.004 . 1 . . . . 83 PHE H . 18899 1 862 . 1 1 83 83 PHE HA H 1 3.515 0.009 . 1 . . . . 83 PHE HA . 18899 1 863 . 1 1 83 83 PHE HB2 H 1 2.627 0.000 . 2 . . . . 83 PHE HB2 . 18899 1 864 . 1 1 83 83 PHE HB3 H 1 3.000 0.004 . 2 . . . . 83 PHE HB3 . 18899 1 865 . 1 1 83 83 PHE HD1 H 1 6.798 0.001 . 3 . . . . 83 PHE HD1 . 18899 1 866 . 1 1 83 83 PHE HD2 H 1 6.798 0.001 . 3 . . . . 83 PHE HD2 . 18899 1 867 . 1 1 83 83 PHE C C 13 177.749 0.015 . 1 . . . . 83 PHE C . 18899 1 868 . 1 1 83 83 PHE CA C 13 62.629 0.040 . 1 . . . . 83 PHE CA . 18899 1 869 . 1 1 83 83 PHE CB C 13 38.342 0.044 . 1 . . . . 83 PHE CB . 18899 1 870 . 1 1 83 83 PHE CD1 C 13 130.914 0.000 . 3 . . . . 83 PHE CD1 . 18899 1 871 . 1 1 83 83 PHE CD2 C 13 130.914 0.000 . 3 . . . . 83 PHE CD2 . 18899 1 872 . 1 1 83 83 PHE N N 15 117.457 0.042 . 1 . . . . 83 PHE N . 18899 1 873 . 1 1 84 84 LEU H H 1 7.474 0.010 . 1 . . . . 84 LEU H . 18899 1 874 . 1 1 84 84 LEU HA H 1 3.545 0.005 . 1 . . . . 84 LEU HA . 18899 1 875 . 1 1 84 84 LEU HB2 H 1 1.904 0.000 . 2 . . . . 84 LEU HB2 . 18899 1 876 . 1 1 84 84 LEU HB3 H 1 1.028 0.000 . 2 . . . . 84 LEU HB3 . 18899 1 877 . 1 1 84 84 LEU HD11 H 1 0.981 0.000 . 2 . . . . 84 LEU HD11 . 18899 1 878 . 1 1 84 84 LEU HD12 H 1 0.981 0.000 . 2 . . . . 84 LEU HD12 . 18899 1 879 . 1 1 84 84 LEU HD13 H 1 0.981 0.000 . 2 . . . . 84 LEU HD13 . 18899 1 880 . 1 1 84 84 LEU HD21 H 1 0.499 0.001 . 2 . . . . 84 LEU HD21 . 18899 1 881 . 1 1 84 84 LEU HD22 H 1 0.499 0.001 . 2 . . . . 84 LEU HD22 . 18899 1 882 . 1 1 84 84 LEU HD23 H 1 0.499 0.001 . 2 . . . . 84 LEU HD23 . 18899 1 883 . 1 1 84 84 LEU C C 13 178.347 0.019 . 1 . . . . 84 LEU C . 18899 1 884 . 1 1 84 84 LEU CA C 13 58.635 0.038 . 1 . . . . 84 LEU CA . 18899 1 885 . 1 1 84 84 LEU CB C 13 40.716 0.075 . 1 . . . . 84 LEU CB . 18899 1 886 . 1 1 84 84 LEU CD1 C 13 26.521 0.058 . 2 . . . . 84 LEU CD1 . 18899 1 887 . 1 1 84 84 LEU CD2 C 13 23.052 0.031 . 2 . . . . 84 LEU CD2 . 18899 1 888 . 1 1 84 84 LEU N N 15 119.747 0.063 . 1 . . . . 84 LEU N . 18899 1 889 . 1 1 85 85 ARG H H 1 8.383 0.010 . 1 . . . . 85 ARG H . 18899 1 890 . 1 1 85 85 ARG HA H 1 4.325 0.004 . 1 . . . . 85 ARG HA . 18899 1 891 . 1 1 85 85 ARG HB2 H 1 1.801 0.000 . 1 . . . . 85 ARG HB2 . 18899 1 892 . 1 1 85 85 ARG HB3 H 1 1.801 0.000 . 1 . . . . 85 ARG HB3 . 18899 1 893 . 1 1 85 85 ARG HG2 H 1 1.777 0.000 . 2 . . . . 85 ARG HG2 . 18899 1 894 . 1 1 85 85 ARG HG3 H 1 1.636 0.000 . 2 . . . . 85 ARG HG3 . 18899 1 895 . 1 1 85 85 ARG HD2 H 1 3.115 0.000 . 1 . . . . 85 ARG HD2 . 18899 1 896 . 1 1 85 85 ARG HD3 H 1 3.115 0.000 . 1 . . . . 85 ARG HD3 . 18899 1 897 . 1 1 85 85 ARG C C 13 177.133 4.108 . 1 . . . . 85 ARG C . 18899 1 898 . 1 1 85 85 ARG CA C 13 59.304 0.058 . 1 . . . . 85 ARG CA . 18899 1 899 . 1 1 85 85 ARG CB C 13 30.493 0.042 . 1 . . . . 85 ARG CB . 18899 1 900 . 1 1 85 85 ARG CG C 13 27.789 0.017 . 1 . . . . 85 ARG CG . 18899 1 901 . 1 1 85 85 ARG CD C 13 43.776 0.012 . 1 . . . . 85 ARG CD . 18899 1 902 . 1 1 85 85 ARG N N 15 121.277 0.041 . 1 . . . . 85 ARG N . 18899 1 903 . 1 1 86 86 ARG H H 1 8.617 0.006 . 1 . . . . 86 ARG H . 18899 1 904 . 1 1 86 86 ARG HA H 1 3.992 0.000 . 1 . . . . 86 ARG HA . 18899 1 905 . 1 1 86 86 ARG HB2 H 1 1.470 0.001 . 2 . . . . 86 ARG HB2 . 18899 1 906 . 1 1 86 86 ARG HB3 H 1 1.744 0.001 . 2 . . . . 86 ARG HB3 . 18899 1 907 . 1 1 86 86 ARG C C 13 176.268 0.021 . 1 . . . . 86 ARG C . 18899 1 908 . 1 1 86 86 ARG CA C 13 57.821 0.002 . 1 . . . . 86 ARG CA . 18899 1 909 . 1 1 86 86 ARG CB C 13 30.263 0.019 . 1 . . . . 86 ARG CB . 18899 1 910 . 1 1 86 86 ARG N N 15 118.860 0.056 . 1 . . . . 86 ARG N . 18899 1 911 . 1 1 87 87 ASN H H 1 7.188 0.005 . 1 . . . . 87 ASN H . 18899 1 912 . 1 1 87 87 ASN HA H 1 4.624 0.002 . 1 . . . . 87 ASN HA . 18899 1 913 . 1 1 87 87 ASN HB2 H 1 1.844 0.000 . 2 . . . . 87 ASN HB2 . 18899 1 914 . 1 1 87 87 ASN HB3 H 1 2.779 0.005 . 2 . . . . 87 ASN HB3 . 18899 1 915 . 1 1 87 87 ASN HD21 H 1 6.694 0.005 . 1 . . . . 87 ASN HD21 . 18899 1 916 . 1 1 87 87 ASN HD22 H 1 7.475 0.002 . 1 . . . . 87 ASN HD22 . 18899 1 917 . 1 1 87 87 ASN C C 13 173.768 0.000 . 1 . . . . 87 ASN C . 18899 1 918 . 1 1 87 87 ASN CA C 13 53.375 0.018 . 1 . . . . 87 ASN CA . 18899 1 919 . 1 1 87 87 ASN CB C 13 40.638 0.006 . 1 . . . . 87 ASN CB . 18899 1 920 . 1 1 87 87 ASN N N 15 115.233 0.049 . 1 . . . . 87 ASN N . 18899 1 921 . 1 1 87 87 ASN ND2 N 15 120.843 0.023 . 1 . . . . 87 ASN ND2 . 18899 1 922 . 1 1 88 88 GLY H H 1 7.474 0.004 . 1 . . . . 88 GLY H . 18899 1 923 . 1 1 88 88 GLY HA2 H 1 3.676 0.000 . 2 . . . . 88 GLY HA2 . 18899 1 924 . 1 1 88 88 GLY HA3 H 1 4.073 0.001 . 2 . . . . 88 GLY HA3 . 18899 1 925 . 1 1 88 88 GLY C C 13 173.717 0.010 . 1 . . . . 88 GLY C . 18899 1 926 . 1 1 88 88 GLY CA C 13 46.472 0.010 . 1 . . . . 88 GLY CA . 18899 1 927 . 1 1 88 88 GLY N N 15 104.799 0.055 . 1 . . . . 88 GLY N . 18899 1 928 . 1 1 89 89 VAL H H 1 7.879 0.005 . 1 . . . . 89 VAL H . 18899 1 929 . 1 1 89 89 VAL HA H 1 4.036 0.002 . 1 . . . . 89 VAL HA . 18899 1 930 . 1 1 89 89 VAL HB H 1 1.546 0.004 . 1 . . . . 89 VAL HB . 18899 1 931 . 1 1 89 89 VAL HG11 H 1 0.914 0.007 . 2 . . . . 89 VAL HG11 . 18899 1 932 . 1 1 89 89 VAL HG12 H 1 0.914 0.007 . 2 . . . . 89 VAL HG12 . 18899 1 933 . 1 1 89 89 VAL HG13 H 1 0.914 0.007 . 2 . . . . 89 VAL HG13 . 18899 1 934 . 1 1 89 89 VAL HG21 H 1 0.639 0.002 . 2 . . . . 89 VAL HG21 . 18899 1 935 . 1 1 89 89 VAL HG22 H 1 0.639 0.002 . 2 . . . . 89 VAL HG22 . 18899 1 936 . 1 1 89 89 VAL HG23 H 1 0.639 0.002 . 2 . . . . 89 VAL HG23 . 18899 1 937 . 1 1 89 89 VAL C C 13 175.087 0.000 . 1 . . . . 89 VAL C . 18899 1 938 . 1 1 89 89 VAL CA C 13 61.781 0.064 . 1 . . . . 89 VAL CA . 18899 1 939 . 1 1 89 89 VAL CB C 13 32.655 0.016 . 1 . . . . 89 VAL CB . 18899 1 940 . 1 1 89 89 VAL CG1 C 13 21.475 0.031 . 2 . . . . 89 VAL CG1 . 18899 1 941 . 1 1 89 89 VAL CG2 C 13 21.304 0.054 . 2 . . . . 89 VAL CG2 . 18899 1 942 . 1 1 89 89 VAL N N 15 123.428 0.048 . 1 . . . . 89 VAL N . 18899 1 943 . 1 1 90 90 GLN H H 1 8.549 0.007 . 1 . . . . 90 GLN H . 18899 1 944 . 1 1 90 90 GLN HA H 1 4.292 0.005 . 1 . . . . 90 GLN HA . 18899 1 945 . 1 1 90 90 GLN HB2 H 1 2.117 0.000 . 1 . . . . 90 GLN HB2 . 18899 1 946 . 1 1 90 90 GLN HB3 H 1 2.117 0.000 . 1 . . . . 90 GLN HB3 . 18899 1 947 . 1 1 90 90 GLN HG2 H 1 2.393 0.003 . 2 . . . . 90 GLN HG2 . 18899 1 948 . 1 1 90 90 GLN HG3 H 1 2.435 0.000 . 2 . . . . 90 GLN HG3 . 18899 1 949 . 1 1 90 90 GLN HE21 H 1 7.567 0.004 . 1 . . . . 90 GLN HE21 . 18899 1 950 . 1 1 90 90 GLN HE22 H 1 6.889 0.003 . 1 . . . . 90 GLN HE22 . 18899 1 951 . 1 1 90 90 GLN C C 13 175.254 0.017 . 1 . . . . 90 GLN C . 18899 1 952 . 1 1 90 90 GLN CA C 13 55.877 0.002 . 1 . . . . 90 GLN CA . 18899 1 953 . 1 1 90 90 GLN CB C 13 28.427 0.081 . 1 . . . . 90 GLN CB . 18899 1 954 . 1 1 90 90 GLN CG C 13 33.992 0.007 . 1 . . . . 90 GLN CG . 18899 1 955 . 1 1 90 90 GLN N N 15 126.626 0.050 . 1 . . . . 90 GLN N . 18899 1 956 . 1 1 90 90 GLN NE2 N 15 112.631 0.097 . 1 . . . . 90 GLN NE2 . 18899 1 957 . 1 1 91 91 VAL H H 1 7.873 0.005 . 1 . . . . 91 VAL H . 18899 1 958 . 1 1 91 91 VAL HA H 1 3.977 0.009 . 1 . . . . 91 VAL HA . 18899 1 959 . 1 1 91 91 VAL HB H 1 1.234 0.003 . 1 . . . . 91 VAL HB . 18899 1 960 . 1 1 91 91 VAL HG11 H 1 0.260 0.000 . 2 . . . . 91 VAL HG11 . 18899 1 961 . 1 1 91 91 VAL HG12 H 1 0.260 0.000 . 2 . . . . 91 VAL HG12 . 18899 1 962 . 1 1 91 91 VAL HG13 H 1 0.260 0.000 . 2 . . . . 91 VAL HG13 . 18899 1 963 . 1 1 91 91 VAL HG21 H 1 0.557 0.003 . 2 . . . . 91 VAL HG21 . 18899 1 964 . 1 1 91 91 VAL HG22 H 1 0.557 0.003 . 2 . . . . 91 VAL HG22 . 18899 1 965 . 1 1 91 91 VAL HG23 H 1 0.557 0.003 . 2 . . . . 91 VAL HG23 . 18899 1 966 . 1 1 91 91 VAL C C 13 174.293 0.013 . 1 . . . . 91 VAL C . 18899 1 967 . 1 1 91 91 VAL CA C 13 59.429 0.044 . 1 . . . . 91 VAL CA . 18899 1 968 . 1 1 91 91 VAL CB C 13 34.914 0.010 . 1 . . . . 91 VAL CB . 18899 1 969 . 1 1 91 91 VAL CG1 C 13 22.242 0.054 . 2 . . . . 91 VAL CG1 . 18899 1 970 . 1 1 91 91 VAL CG2 C 13 18.887 0.031 . 2 . . . . 91 VAL CG2 . 18899 1 971 . 1 1 91 91 VAL N N 15 116.793 0.058 . 1 . . . . 91 VAL N . 18899 1 972 . 1 1 92 92 PHE H H 1 6.265 0.006 . 1 . . . . 92 PHE H . 18899 1 973 . 1 1 92 92 PHE HA H 1 4.874 0.008 . 1 . . . . 92 PHE HA . 18899 1 974 . 1 1 92 92 PHE HB2 H 1 3.203 0.001 . 2 . . . . 92 PHE HB2 . 18899 1 975 . 1 1 92 92 PHE HB3 H 1 3.301 0.000 . 2 . . . . 92 PHE HB3 . 18899 1 976 . 1 1 92 92 PHE HD1 H 1 5.843 0.000 . 3 . . . . 92 PHE HD1 . 18899 1 977 . 1 1 92 92 PHE HD2 H 1 5.843 0.000 . 3 . . . . 92 PHE HD2 . 18899 1 978 . 1 1 92 92 PHE C C 13 173.607 0.004 . 1 . . . . 92 PHE C . 18899 1 979 . 1 1 92 92 PHE CA C 13 55.338 0.019 . 1 . . . . 92 PHE CA . 18899 1 980 . 1 1 92 92 PHE CB C 13 40.426 0.000 . 1 . . . . 92 PHE CB . 18899 1 981 . 1 1 92 92 PHE N N 15 116.040 0.090 . 1 . . . . 92 PHE N . 18899 1 982 . 1 1 93 93 ASP H H 1 8.991 0.003 . 1 . . . . 93 ASP H . 18899 1 983 . 1 1 93 93 ASP HA H 1 4.493 0.000 . 1 . . . . 93 ASP HA . 18899 1 984 . 1 1 93 93 ASP HB2 H 1 2.644 0.003 . 1 . . . . 93 ASP HB2 . 18899 1 985 . 1 1 93 93 ASP HB3 H 1 2.644 0.003 . 1 . . . . 93 ASP HB3 . 18899 1 986 . 1 1 93 93 ASP C C 13 175.458 0.018 . 1 . . . . 93 ASP C . 18899 1 987 . 1 1 93 93 ASP CA C 13 55.431 0.001 . 1 . . . . 93 ASP CA . 18899 1 988 . 1 1 93 93 ASP CB C 13 41.420 0.000 . 1 . . . . 93 ASP CB . 18899 1 989 . 1 1 93 93 ASP N N 15 121.659 0.050 . 1 . . . . 93 ASP N . 18899 1 990 . 1 1 94 94 SER H H 1 7.671 0.004 . 1 . . . . 94 SER H . 18899 1 991 . 1 1 94 94 SER HA H 1 5.224 0.006 . 1 . . . . 94 SER HA . 18899 1 992 . 1 1 94 94 SER HB2 H 1 3.569 0.006 . 2 . . . . 94 SER HB2 . 18899 1 993 . 1 1 94 94 SER HB3 H 1 3.982 0.004 . 2 . . . . 94 SER HB3 . 18899 1 994 . 1 1 94 94 SER CA C 13 55.190 0.059 . 1 . . . . 94 SER CA . 18899 1 995 . 1 1 94 94 SER CB C 13 65.828 0.062 . 1 . . . . 94 SER CB . 18899 1 996 . 1 1 94 94 SER N N 15 116.961 0.042 . 1 . . . . 94 SER N . 18899 1 997 . 1 1 95 95 PRO HA H 1 4.473 0.001 . 1 . . . . 95 PRO HA . 18899 1 998 . 1 1 95 95 PRO HB2 H 1 2.435 0.000 . 2 . . . . 95 PRO HB2 . 18899 1 999 . 1 1 95 95 PRO HB3 H 1 2.072 0.001 . 2 . . . . 95 PRO HB3 . 18899 1 1000 . 1 1 95 95 PRO HG2 H 1 2.089 0.000 . 1 . . . . 95 PRO HG2 . 18899 1 1001 . 1 1 95 95 PRO HG3 H 1 2.089 0.000 . 1 . . . . 95 PRO HG3 . 18899 1 1002 . 1 1 95 95 PRO HD2 H 1 3.933 0.001 . 2 . . . . 95 PRO HD2 . 18899 1 1003 . 1 1 95 95 PRO HD3 H 1 4.054 0.004 . 2 . . . . 95 PRO HD3 . 18899 1 1004 . 1 1 95 95 PRO C C 13 177.949 0.010 . 1 . . . . 95 PRO C . 18899 1 1005 . 1 1 95 95 PRO CA C 13 64.814 0.033 . 1 . . . . 95 PRO CA . 18899 1 1006 . 1 1 95 95 PRO CB C 13 32.270 0.026 . 1 . . . . 95 PRO CB . 18899 1 1007 . 1 1 95 95 PRO CG C 13 27.221 0.042 . 1 . . . . 95 PRO CG . 18899 1 1008 . 1 1 95 95 PRO CD C 13 51.886 0.049 . 1 . . . . 95 PRO CD . 18899 1 1009 . 1 1 96 96 GLU H H 1 8.736 0.004 . 1 . . . . 96 GLU H . 18899 1 1010 . 1 1 96 96 GLU HA H 1 4.268 0.004 . 1 . . . . 96 GLU HA . 18899 1 1011 . 1 1 96 96 GLU HB2 H 1 2.059 0.000 . 2 . . . . 96 GLU HB2 . 18899 1 1012 . 1 1 96 96 GLU HB3 H 1 1.919 0.000 . 2 . . . . 96 GLU HB3 . 18899 1 1013 . 1 1 96 96 GLU HG2 H 1 2.208 0.000 . 1 . . . . 96 GLU HG2 . 18899 1 1014 . 1 1 96 96 GLU HG3 H 1 2.208 0.000 . 1 . . . . 96 GLU HG3 . 18899 1 1015 . 1 1 96 96 GLU C C 13 178.477 0.018 . 1 . . . . 96 GLU C . 18899 1 1016 . 1 1 96 96 GLU CA C 13 58.678 0.031 . 1 . . . . 96 GLU CA . 18899 1 1017 . 1 1 96 96 GLU CB C 13 29.939 0.001 . 1 . . . . 96 GLU CB . 18899 1 1018 . 1 1 96 96 GLU CG C 13 36.625 0.011 . 1 . . . . 96 GLU CG . 18899 1 1019 . 1 1 96 96 GLU N N 15 117.165 0.059 . 1 . . . . 96 GLU N . 18899 1 1020 . 1 1 97 97 LEU H H 1 7.586 0.004 . 1 . . . . 97 LEU H . 18899 1 1021 . 1 1 97 97 LEU HA H 1 4.015 0.002 . 1 . . . . 97 LEU HA . 18899 1 1022 . 1 1 97 97 LEU HB2 H 1 1.661 0.003 . 2 . . . . 97 LEU HB2 . 18899 1 1023 . 1 1 97 97 LEU HB3 H 1 1.985 0.002 . 2 . . . . 97 LEU HB3 . 18899 1 1024 . 1 1 97 97 LEU HD11 H 1 1.225 0.002 . 2 . . . . 97 LEU HD11 . 18899 1 1025 . 1 1 97 97 LEU HD12 H 1 1.225 0.002 . 2 . . . . 97 LEU HD12 . 18899 1 1026 . 1 1 97 97 LEU HD13 H 1 1.225 0.002 . 2 . . . . 97 LEU HD13 . 18899 1 1027 . 1 1 97 97 LEU HD21 H 1 0.804 0.001 . 2 . . . . 97 LEU HD21 . 18899 1 1028 . 1 1 97 97 LEU HD22 H 1 0.804 0.001 . 2 . . . . 97 LEU HD22 . 18899 1 1029 . 1 1 97 97 LEU HD23 H 1 0.804 0.001 . 2 . . . . 97 LEU HD23 . 18899 1 1030 . 1 1 97 97 LEU C C 13 179.040 0.003 . 1 . . . . 97 LEU C . 18899 1 1031 . 1 1 97 97 LEU CA C 13 57.200 0.025 . 1 . . . . 97 LEU CA . 18899 1 1032 . 1 1 97 97 LEU CB C 13 41.731 0.040 . 1 . . . . 97 LEU CB . 18899 1 1033 . 1 1 97 97 LEU CD1 C 13 25.788 0.000 . 2 . . . . 97 LEU CD1 . 18899 1 1034 . 1 1 97 97 LEU CD2 C 13 22.197 0.000 . 2 . . . . 97 LEU CD2 . 18899 1 1035 . 1 1 97 97 LEU N N 15 116.838 0.048 . 1 . . . . 97 LEU N . 18899 1 1036 . 1 1 98 98 ALA H H 1 7.928 0.004 . 1 . . . . 98 ALA H . 18899 1 1037 . 1 1 98 98 ALA HA H 1 4.100 0.001 . 1 . . . . 98 ALA HA . 18899 1 1038 . 1 1 98 98 ALA HB1 H 1 1.490 0.003 . 1 . . . . 98 ALA HB1 . 18899 1 1039 . 1 1 98 98 ALA HB2 H 1 1.490 0.003 . 1 . . . . 98 ALA HB2 . 18899 1 1040 . 1 1 98 98 ALA HB3 H 1 1.490 0.003 . 1 . . . . 98 ALA HB3 . 18899 1 1041 . 1 1 98 98 ALA C C 13 180.192 0.042 . 1 . . . . 98 ALA C . 18899 1 1042 . 1 1 98 98 ALA CA C 13 55.908 0.001 . 1 . . . . 98 ALA CA . 18899 1 1043 . 1 1 98 98 ALA CB C 13 17.785 0.002 . 1 . . . . 98 ALA CB . 18899 1 1044 . 1 1 98 98 ALA N N 15 123.919 0.039 . 1 . . . . 98 ALA N . 18899 1 1045 . 1 1 99 99 ASP H H 1 8.091 0.002 . 1 . . . . 99 ASP H . 18899 1 1046 . 1 1 99 99 ASP HA H 1 4.441 0.003 . 1 . . . . 99 ASP HA . 18899 1 1047 . 1 1 99 99 ASP HB2 H 1 2.654 0.005 . 1 . . . . 99 ASP HB2 . 18899 1 1048 . 1 1 99 99 ASP HB3 H 1 2.654 0.005 . 1 . . . . 99 ASP HB3 . 18899 1 1049 . 1 1 99 99 ASP C C 13 179.167 0.018 . 1 . . . . 99 ASP C . 18899 1 1050 . 1 1 99 99 ASP CA C 13 56.992 0.001 . 1 . . . . 99 ASP CA . 18899 1 1051 . 1 1 99 99 ASP CB C 13 40.312 0.005 . 1 . . . . 99 ASP CB . 18899 1 1052 . 1 1 99 99 ASP N N 15 118.262 0.037 . 1 . . . . 99 ASP N . 18899 1 1053 . 1 1 100 100 LEU H H 1 7.664 0.005 . 1 . . . . 100 LEU H . 18899 1 1054 . 1 1 100 100 LEU HA H 1 4.106 0.009 . 1 . . . . 100 LEU HA . 18899 1 1055 . 1 1 100 100 LEU HB2 H 1 1.744 0.014 . 2 . . . . 100 LEU HB2 . 18899 1 1056 . 1 1 100 100 LEU HB3 H 1 1.915 0.001 . 2 . . . . 100 LEU HB3 . 18899 1 1057 . 1 1 100 100 LEU HD11 H 1 1.003 0.000 . 2 . . . . 100 LEU HD11 . 18899 1 1058 . 1 1 100 100 LEU HD12 H 1 1.003 0.000 . 2 . . . . 100 LEU HD12 . 18899 1 1059 . 1 1 100 100 LEU HD13 H 1 1.003 0.000 . 2 . . . . 100 LEU HD13 . 18899 1 1060 . 1 1 100 100 LEU HD21 H 1 0.900 0.008 . 2 . . . . 100 LEU HD21 . 18899 1 1061 . 1 1 100 100 LEU HD22 H 1 0.900 0.008 . 2 . . . . 100 LEU HD22 . 18899 1 1062 . 1 1 100 100 LEU HD23 H 1 0.900 0.008 . 2 . . . . 100 LEU HD23 . 18899 1 1063 . 1 1 100 100 LEU C C 13 178.036 0.029 . 1 . . . . 100 LEU C . 18899 1 1064 . 1 1 100 100 LEU CA C 13 57.487 0.048 . 1 . . . . 100 LEU CA . 18899 1 1065 . 1 1 100 100 LEU CB C 13 43.016 0.003 . 1 . . . . 100 LEU CB . 18899 1 1066 . 1 1 100 100 LEU CD1 C 13 24.842 0.000 . 2 . . . . 100 LEU CD1 . 18899 1 1067 . 1 1 100 100 LEU CD2 C 13 25.949 0.000 . 2 . . . . 100 LEU CD2 . 18899 1 1068 . 1 1 100 100 LEU N N 15 121.533 0.066 . 1 . . . . 100 LEU N . 18899 1 1069 . 1 1 101 101 THR H H 1 7.793 0.005 . 1 . . . . 101 THR H . 18899 1 1070 . 1 1 101 101 THR HA H 1 3.739 0.007 . 1 . . . . 101 THR HA . 18899 1 1071 . 1 1 101 101 THR HB H 1 4.262 0.008 . 1 . . . . 101 THR HB . 18899 1 1072 . 1 1 101 101 THR HG21 H 1 1.300 0.005 . 1 . . . . 101 THR HG21 . 18899 1 1073 . 1 1 101 101 THR HG22 H 1 1.300 0.005 . 1 . . . . 101 THR HG22 . 18899 1 1074 . 1 1 101 101 THR HG23 H 1 1.300 0.005 . 1 . . . . 101 THR HG23 . 18899 1 1075 . 1 1 101 101 THR C C 13 176.265 0.000 . 1 . . . . 101 THR C . 18899 1 1076 . 1 1 101 101 THR CA C 13 67.159 0.021 . 1 . . . . 101 THR CA . 18899 1 1077 . 1 1 101 101 THR CB C 13 67.892 0.020 . 1 . . . . 101 THR CB . 18899 1 1078 . 1 1 101 101 THR CG2 C 13 22.356 0.000 . 1 . . . . 101 THR CG2 . 18899 1 1079 . 1 1 101 101 THR N N 15 112.968 0.045 . 1 . . . . 101 THR N . 18899 1 1080 . 1 1 102 102 VAL H H 1 7.602 0.005 . 1 . . . . 102 VAL H . 18899 1 1081 . 1 1 102 102 VAL HA H 1 3.609 0.002 . 1 . . . . 102 VAL HA . 18899 1 1082 . 1 1 102 102 VAL HB H 1 2.174 0.007 . 1 . . . . 102 VAL HB . 18899 1 1083 . 1 1 102 102 VAL HG11 H 1 0.976 0.002 . 2 . . . . 102 VAL HG11 . 18899 1 1084 . 1 1 102 102 VAL HG12 H 1 0.976 0.002 . 2 . . . . 102 VAL HG12 . 18899 1 1085 . 1 1 102 102 VAL HG13 H 1 0.976 0.002 . 2 . . . . 102 VAL HG13 . 18899 1 1086 . 1 1 102 102 VAL HG21 H 1 1.083 0.005 . 2 . . . . 102 VAL HG21 . 18899 1 1087 . 1 1 102 102 VAL HG22 H 1 1.083 0.005 . 2 . . . . 102 VAL HG22 . 18899 1 1088 . 1 1 102 102 VAL HG23 H 1 1.083 0.005 . 2 . . . . 102 VAL HG23 . 18899 1 1089 . 1 1 102 102 VAL C C 13 178.388 0.000 . 1 . . . . 102 VAL C . 18899 1 1090 . 1 1 102 102 VAL CA C 13 66.987 0.000 . 1 . . . . 102 VAL CA . 18899 1 1091 . 1 1 102 102 VAL CB C 13 31.909 0.007 . 1 . . . . 102 VAL CB . 18899 1 1092 . 1 1 102 102 VAL CG1 C 13 21.027 0.000 . 2 . . . . 102 VAL CG1 . 18899 1 1093 . 1 1 102 102 VAL CG2 C 13 22.832 0.000 . 2 . . . . 102 VAL CG2 . 18899 1 1094 . 1 1 102 102 VAL N N 15 121.697 0.062 . 1 . . . . 102 VAL N . 18899 1 1095 . 1 1 103 103 GLY H H 1 7.955 0.006 . 1 . . . . 103 GLY H . 18899 1 1096 . 1 1 103 103 GLY HA2 H 1 3.673 0.002 . 2 . . . . 103 GLY HA2 . 18899 1 1097 . 1 1 103 103 GLY HA3 H 1 4.070 0.003 . 2 . . . . 103 GLY HA3 . 18899 1 1098 . 1 1 103 103 GLY C C 13 176.679 0.012 . 1 . . . . 103 GLY C . 18899 1 1099 . 1 1 103 103 GLY CA C 13 46.858 0.013 . 1 . . . . 103 GLY CA . 18899 1 1100 . 1 1 103 103 GLY N N 15 106.319 0.055 . 1 . . . . 103 GLY N . 18899 1 1101 . 1 1 104 104 ALA H H 1 8.516 0.004 . 1 . . . . 104 ALA H . 18899 1 1102 . 1 1 104 104 ALA HA H 1 4.372 0.006 . 1 . . . . 104 ALA HA . 18899 1 1103 . 1 1 104 104 ALA HB1 H 1 1.353 0.004 . 1 . . . . 104 ALA HB1 . 18899 1 1104 . 1 1 104 104 ALA HB2 H 1 1.353 0.004 . 1 . . . . 104 ALA HB2 . 18899 1 1105 . 1 1 104 104 ALA HB3 H 1 1.353 0.004 . 1 . . . . 104 ALA HB3 . 18899 1 1106 . 1 1 104 104 ALA C C 13 180.549 0.013 . 1 . . . . 104 ALA C . 18899 1 1107 . 1 1 104 104 ALA CA C 13 54.257 0.008 . 1 . . . . 104 ALA CA . 18899 1 1108 . 1 1 104 104 ALA CB C 13 19.039 0.030 . 1 . . . . 104 ALA CB . 18899 1 1109 . 1 1 104 104 ALA N N 15 124.230 0.049 . 1 . . . . 104 ALA N . 18899 1 1110 . 1 1 105 105 ALA H H 1 8.282 0.004 . 1 . . . . 105 ALA H . 18899 1 1111 . 1 1 105 105 ALA HA H 1 3.872 0.006 . 1 . . . . 105 ALA HA . 18899 1 1112 . 1 1 105 105 ALA HB1 H 1 1.623 0.002 . 1 . . . . 105 ALA HB1 . 18899 1 1113 . 1 1 105 105 ALA HB2 H 1 1.623 0.002 . 1 . . . . 105 ALA HB2 . 18899 1 1114 . 1 1 105 105 ALA HB3 H 1 1.623 0.002 . 1 . . . . 105 ALA HB3 . 18899 1 1115 . 1 1 105 105 ALA C C 13 179.285 0.022 . 1 . . . . 105 ALA C . 18899 1 1116 . 1 1 105 105 ALA CA C 13 54.968 0.004 . 1 . . . . 105 ALA CA . 18899 1 1117 . 1 1 105 105 ALA CB C 13 19.104 0.010 . 1 . . . . 105 ALA CB . 18899 1 1118 . 1 1 105 105 ALA N N 15 119.866 0.043 . 1 . . . . 105 ALA N . 18899 1 1119 . 1 1 106 106 THR H H 1 8.036 0.004 . 1 . . . . 106 THR H . 18899 1 1120 . 1 1 106 106 THR HA H 1 4.361 0.003 . 1 . . . . 106 THR HA . 18899 1 1121 . 1 1 106 106 THR HB H 1 4.514 0.003 . 1 . . . . 106 THR HB . 18899 1 1122 . 1 1 106 106 THR HG21 H 1 1.372 0.004 . 1 . . . . 106 THR HG21 . 18899 1 1123 . 1 1 106 106 THR HG22 H 1 1.372 0.004 . 1 . . . . 106 THR HG22 . 18899 1 1124 . 1 1 106 106 THR HG23 H 1 1.372 0.004 . 1 . . . . 106 THR HG23 . 18899 1 1125 . 1 1 106 106 THR C C 13 176.399 0.000 . 1 . . . . 106 THR C . 18899 1 1126 . 1 1 106 106 THR CA C 13 62.276 0.005 . 1 . . . . 106 THR CA . 18899 1 1127 . 1 1 106 106 THR CB C 13 70.457 0.052 . 1 . . . . 106 THR CB . 18899 1 1128 . 1 1 106 106 THR CG2 C 13 21.598 0.025 . 1 . . . . 106 THR CG2 . 18899 1 1129 . 1 1 106 106 THR N N 15 105.958 0.053 . 1 . . . . 106 THR N . 18899 1 1130 . 1 1 107 107 GLY H H 1 7.531 0.006 . 1 . . . . 107 GLY H . 18899 1 1131 . 1 1 107 107 GLY HA2 H 1 4.251 0.013 . 2 . . . . 107 GLY HA2 . 18899 1 1132 . 1 1 107 107 GLY HA3 H 1 3.911 0.008 . 2 . . . . 107 GLY HA3 . 18899 1 1133 . 1 1 107 107 GLY C C 13 174.169 0.015 . 1 . . . . 107 GLY C . 18899 1 1134 . 1 1 107 107 GLY CA C 13 45.075 0.002 . 1 . . . . 107 GLY CA . 18899 1 1135 . 1 1 107 107 GLY N N 15 108.284 0.060 . 1 . . . . 107 GLY N . 18899 1 1136 . 1 1 108 108 GLU H H 1 8.125 0.004 . 1 . . . . 108 GLU H . 18899 1 1137 . 1 1 108 108 GLU HA H 1 4.076 0.002 . 1 . . . . 108 GLU HA . 18899 1 1138 . 1 1 108 108 GLU HB2 H 1 1.910 0.008 . 2 . . . . 108 GLU HB2 . 18899 1 1139 . 1 1 108 108 GLU HB3 H 1 2.042 0.004 . 2 . . . . 108 GLU HB3 . 18899 1 1140 . 1 1 108 108 GLU HG2 H 1 2.187 0.011 . 2 . . . . 108 GLU HG2 . 18899 1 1141 . 1 1 108 108 GLU HG3 H 1 2.289 0.001 . 2 . . . . 108 GLU HG3 . 18899 1 1142 . 1 1 108 108 GLU C C 13 175.998 0.010 . 1 . . . . 108 GLU C . 18899 1 1143 . 1 1 108 108 GLU CA C 13 58.155 0.002 . 1 . . . . 108 GLU CA . 18899 1 1144 . 1 1 108 108 GLU CB C 13 30.812 0.007 . 1 . . . . 108 GLU CB . 18899 1 1145 . 1 1 108 108 GLU CG C 13 36.720 0.003 . 1 . . . . 108 GLU CG . 18899 1 1146 . 1 1 108 108 GLU N N 15 120.858 0.044 . 1 . . . . 108 GLU N . 18899 1 1147 . 1 1 109 109 ILE H H 1 7.054 0.006 . 1 . . . . 109 ILE H . 18899 1 1148 . 1 1 109 109 ILE HA H 1 4.347 0.002 . 1 . . . . 109 ILE HA . 18899 1 1149 . 1 1 109 109 ILE HB H 1 1.333 0.005 . 1 . . . . 109 ILE HB . 18899 1 1150 . 1 1 109 109 ILE HG12 H 1 0.924 0.000 . 2 . . . . 109 ILE HG12 . 18899 1 1151 . 1 1 109 109 ILE HG13 H 1 1.286 0.000 . 2 . . . . 109 ILE HG13 . 18899 1 1152 . 1 1 109 109 ILE HG21 H 1 0.923 0.000 . 1 . . . . 109 ILE HG21 . 18899 1 1153 . 1 1 109 109 ILE HG22 H 1 0.923 0.000 . 1 . . . . 109 ILE HG22 . 18899 1 1154 . 1 1 109 109 ILE HG23 H 1 0.923 0.000 . 1 . . . . 109 ILE HG23 . 18899 1 1155 . 1 1 109 109 ILE HD11 H 1 0.923 0.001 . 1 . . . . 109 ILE HD11 . 18899 1 1156 . 1 1 109 109 ILE HD12 H 1 0.923 0.001 . 1 . . . . 109 ILE HD12 . 18899 1 1157 . 1 1 109 109 ILE HD13 H 1 0.923 0.001 . 1 . . . . 109 ILE HD13 . 18899 1 1158 . 1 1 109 109 ILE C C 13 174.388 0.004 . 1 . . . . 109 ILE C . 18899 1 1159 . 1 1 109 109 ILE CA C 13 59.985 0.117 . 1 . . . . 109 ILE CA . 18899 1 1160 . 1 1 109 109 ILE CB C 13 39.655 0.079 . 1 . . . . 109 ILE CB . 18899 1 1161 . 1 1 109 109 ILE CG1 C 13 26.793 0.007 . 1 . . . . 109 ILE CG1 . 18899 1 1162 . 1 1 109 109 ILE CG2 C 13 18.208 0.054 . 1 . . . . 109 ILE CG2 . 18899 1 1163 . 1 1 109 109 ILE CD1 C 13 13.488 0.053 . 1 . . . . 109 ILE CD1 . 18899 1 1164 . 1 1 109 109 ILE N N 15 117.205 0.046 . 1 . . . . 109 ILE N . 18899 1 1165 . 1 1 110 110 SER H H 1 8.402 0.004 . 1 . . . . 110 SER H . 18899 1 1166 . 1 1 110 110 SER HA H 1 4.478 0.003 . 1 . . . . 110 SER HA . 18899 1 1167 . 1 1 110 110 SER HB2 H 1 4.339 0.004 . 2 . . . . 110 SER HB2 . 18899 1 1168 . 1 1 110 110 SER HB3 H 1 4.012 0.004 . 2 . . . . 110 SER HB3 . 18899 1 1169 . 1 1 110 110 SER C C 13 175.012 0.017 . 1 . . . . 110 SER C . 18899 1 1170 . 1 1 110 110 SER CA C 13 57.130 0.003 . 1 . . . . 110 SER CA . 18899 1 1171 . 1 1 110 110 SER CB C 13 65.854 0.001 . 1 . . . . 110 SER CB . 18899 1 1172 . 1 1 110 110 SER N N 15 121.154 0.063 . 1 . . . . 110 SER N . 18899 1 1173 . 1 1 111 111 VAL H H 1 8.799 0.005 . 1 . . . . 111 VAL H . 18899 1 1174 . 1 1 111 111 VAL HA H 1 3.535 0.001 . 1 . . . . 111 VAL HA . 18899 1 1175 . 1 1 111 111 VAL HB H 1 2.097 0.004 . 1 . . . . 111 VAL HB . 18899 1 1176 . 1 1 111 111 VAL HG11 H 1 1.075 0.004 . 2 . . . . 111 VAL HG11 . 18899 1 1177 . 1 1 111 111 VAL HG12 H 1 1.075 0.004 . 2 . . . . 111 VAL HG12 . 18899 1 1178 . 1 1 111 111 VAL HG13 H 1 1.075 0.004 . 2 . . . . 111 VAL HG13 . 18899 1 1179 . 1 1 111 111 VAL HG21 H 1 0.955 0.006 . 2 . . . . 111 VAL HG21 . 18899 1 1180 . 1 1 111 111 VAL HG22 H 1 0.955 0.006 . 2 . . . . 111 VAL HG22 . 18899 1 1181 . 1 1 111 111 VAL HG23 H 1 0.955 0.006 . 2 . . . . 111 VAL HG23 . 18899 1 1182 . 1 1 111 111 VAL C C 13 177.336 0.010 . 1 . . . . 111 VAL C . 18899 1 1183 . 1 1 111 111 VAL CA C 13 66.995 0.001 . 1 . . . . 111 VAL CA . 18899 1 1184 . 1 1 111 111 VAL CB C 13 31.928 0.073 . 1 . . . . 111 VAL CB . 18899 1 1185 . 1 1 111 111 VAL CG1 C 13 23.130 0.001 . 2 . . . . 111 VAL CG1 . 18899 1 1186 . 1 1 111 111 VAL CG2 C 13 20.938 0.011 . 2 . . . . 111 VAL CG2 . 18899 1 1187 . 1 1 111 111 VAL N N 15 120.209 0.049 . 1 . . . . 111 VAL N . 18899 1 1188 . 1 1 112 112 SER H H 1 8.207 0.004 . 1 . . . . 112 SER H . 18899 1 1189 . 1 1 112 112 SER HA H 1 4.224 0.001 . 1 . . . . 112 SER HA . 18899 1 1190 . 1 1 112 112 SER HB2 H 1 3.884 0.003 . 1 . . . . 112 SER HB2 . 18899 1 1191 . 1 1 112 112 SER HB3 H 1 3.884 0.003 . 1 . . . . 112 SER HB3 . 18899 1 1192 . 1 1 112 112 SER C C 13 176.760 0.023 . 1 . . . . 112 SER C . 18899 1 1193 . 1 1 112 112 SER CA C 13 61.595 0.006 . 1 . . . . 112 SER CA . 18899 1 1194 . 1 1 112 112 SER CB C 13 62.511 0.001 . 1 . . . . 112 SER CB . 18899 1 1195 . 1 1 112 112 SER N N 15 114.056 0.046 . 1 . . . . 112 SER N . 18899 1 1196 . 1 1 113 113 SER H H 1 7.742 0.005 . 1 . . . . 113 SER H . 18899 1 1197 . 1 1 113 113 SER HA H 1 4.354 0.002 . 1 . . . . 113 SER HA . 18899 1 1198 . 1 1 113 113 SER HB2 H 1 3.992 0.000 . 2 . . . . 113 SER HB2 . 18899 1 1199 . 1 1 113 113 SER HB3 H 1 3.945 0.006 . 2 . . . . 113 SER HB3 . 18899 1 1200 . 1 1 113 113 SER C C 13 177.615 0.017 . 1 . . . . 113 SER C . 18899 1 1201 . 1 1 113 113 SER CA C 13 61.694 0.005 . 1 . . . . 113 SER CA . 18899 1 1202 . 1 1 113 113 SER CB C 13 62.806 0.002 . 1 . . . . 113 SER CB . 18899 1 1203 . 1 1 113 113 SER N N 15 118.791 0.047 . 1 . . . . 113 SER N . 18899 1 1204 . 1 1 114 114 VAL H H 1 8.470 0.002 . 1 . . . . 114 VAL H . 18899 1 1205 . 1 1 114 114 VAL HA H 1 3.626 0.006 . 1 . . . . 114 VAL HA . 18899 1 1206 . 1 1 114 114 VAL HB H 1 2.399 0.003 . 1 . . . . 114 VAL HB . 18899 1 1207 . 1 1 114 114 VAL HG11 H 1 0.934 0.002 . 2 . . . . 114 VAL HG11 . 18899 1 1208 . 1 1 114 114 VAL HG12 H 1 0.934 0.002 . 2 . . . . 114 VAL HG12 . 18899 1 1209 . 1 1 114 114 VAL HG13 H 1 0.934 0.002 . 2 . . . . 114 VAL HG13 . 18899 1 1210 . 1 1 114 114 VAL HG21 H 1 1.010 0.000 . 2 . . . . 114 VAL HG21 . 18899 1 1211 . 1 1 114 114 VAL HG22 H 1 1.010 0.000 . 2 . . . . 114 VAL HG22 . 18899 1 1212 . 1 1 114 114 VAL HG23 H 1 1.010 0.000 . 2 . . . . 114 VAL HG23 . 18899 1 1213 . 1 1 114 114 VAL C C 13 177.675 0.008 . 1 . . . . 114 VAL C . 18899 1 1214 . 1 1 114 114 VAL CA C 13 66.769 0.005 . 1 . . . . 114 VAL CA . 18899 1 1215 . 1 1 114 114 VAL CB C 13 31.418 0.006 . 1 . . . . 114 VAL CB . 18899 1 1216 . 1 1 114 114 VAL CG1 C 13 23.029 0.000 . 2 . . . . 114 VAL CG1 . 18899 1 1217 . 1 1 114 114 VAL CG2 C 13 23.108 0.000 . 2 . . . . 114 VAL CG2 . 18899 1 1218 . 1 1 114 114 VAL N N 15 123.932 0.047 . 1 . . . . 114 VAL N . 18899 1 1219 . 1 1 115 115 ALA H H 1 8.691 0.006 . 1 . . . . 115 ALA H . 18899 1 1220 . 1 1 115 115 ALA HA H 1 3.865 0.001 . 1 . . . . 115 ALA HA . 18899 1 1221 . 1 1 115 115 ALA HB1 H 1 1.408 0.003 . 1 . . . . 115 ALA HB1 . 18899 1 1222 . 1 1 115 115 ALA HB2 H 1 1.408 0.003 . 1 . . . . 115 ALA HB2 . 18899 1 1223 . 1 1 115 115 ALA HB3 H 1 1.408 0.003 . 1 . . . . 115 ALA HB3 . 18899 1 1224 . 1 1 115 115 ALA C C 13 178.726 0.010 . 1 . . . . 115 ALA C . 18899 1 1225 . 1 1 115 115 ALA CA C 13 55.918 0.019 . 1 . . . . 115 ALA CA . 18899 1 1226 . 1 1 115 115 ALA CB C 13 18.301 0.001 . 1 . . . . 115 ALA CB . 18899 1 1227 . 1 1 115 115 ALA N N 15 122.138 0.049 . 1 . . . . 115 ALA N . 18899 1 1228 . 1 1 116 116 ASP H H 1 8.068 0.004 . 1 . . . . 116 ASP H . 18899 1 1229 . 1 1 116 116 ASP HA H 1 4.319 0.001 . 1 . . . . 116 ASP HA . 18899 1 1230 . 1 1 116 116 ASP HB2 H 1 2.676 0.003 . 2 . . . . 116 ASP HB2 . 18899 1 1231 . 1 1 116 116 ASP HB3 H 1 2.854 0.003 . 2 . . . . 116 ASP HB3 . 18899 1 1232 . 1 1 116 116 ASP C C 13 179.085 0.011 . 1 . . . . 116 ASP C . 18899 1 1233 . 1 1 116 116 ASP CA C 13 57.255 0.015 . 1 . . . . 116 ASP CA . 18899 1 1234 . 1 1 116 116 ASP CB C 13 40.892 0.007 . 1 . . . . 116 ASP CB . 18899 1 1235 . 1 1 116 116 ASP N N 15 116.559 0.056 . 1 . . . . 116 ASP N . 18899 1 1236 . 1 1 117 117 THR H H 1 7.904 0.005 . 1 . . . . 117 THR H . 18899 1 1237 . 1 1 117 117 THR HA H 1 4.246 0.002 . 1 . . . . 117 THR HA . 18899 1 1238 . 1 1 117 117 THR HB H 1 3.853 0.003 . 1 . . . . 117 THR HB . 18899 1 1239 . 1 1 117 117 THR HG21 H 1 1.088 0.004 . 1 . . . . 117 THR HG21 . 18899 1 1240 . 1 1 117 117 THR HG22 H 1 1.088 0.004 . 1 . . . . 117 THR HG22 . 18899 1 1241 . 1 1 117 117 THR HG23 H 1 1.088 0.004 . 1 . . . . 117 THR HG23 . 18899 1 1242 . 1 1 117 117 THR C C 13 175.526 0.017 . 1 . . . . 117 THR C . 18899 1 1243 . 1 1 117 117 THR CA C 13 67.494 0.056 . 1 . . . . 117 THR CA . 18899 1 1244 . 1 1 117 117 THR CB C 13 67.887 0.000 . 1 . . . . 117 THR CB . 18899 1 1245 . 1 1 117 117 THR CG2 C 13 21.783 0.000 . 1 . . . . 117 THR CG2 . 18899 1 1246 . 1 1 117 117 THR N N 15 118.526 0.075 . 1 . . . . 117 THR N . 18899 1 1247 . 1 1 118 118 LEU H H 1 8.304 0.006 . 1 . . . . 118 LEU H . 18899 1 1248 . 1 1 118 118 LEU HA H 1 3.834 0.000 . 1 . . . . 118 LEU HA . 18899 1 1249 . 1 1 118 118 LEU HB2 H 1 2.277 0.005 . 2 . . . . 118 LEU HB2 . 18899 1 1250 . 1 1 118 118 LEU HB3 H 1 1.594 0.000 . 2 . . . . 118 LEU HB3 . 18899 1 1251 . 1 1 118 118 LEU HD11 H 1 1.029 0.000 . 2 . . . . 118 LEU HD11 . 18899 1 1252 . 1 1 118 118 LEU HD12 H 1 1.029 0.000 . 2 . . . . 118 LEU HD12 . 18899 1 1253 . 1 1 118 118 LEU HD13 H 1 1.029 0.000 . 2 . . . . 118 LEU HD13 . 18899 1 1254 . 1 1 118 118 LEU HD21 H 1 0.814 0.000 . 2 . . . . 118 LEU HD21 . 18899 1 1255 . 1 1 118 118 LEU HD22 H 1 0.814 0.000 . 2 . . . . 118 LEU HD22 . 18899 1 1256 . 1 1 118 118 LEU HD23 H 1 0.814 0.000 . 2 . . . . 118 LEU HD23 . 18899 1 1257 . 1 1 118 118 LEU C C 13 177.440 0.011 . 1 . . . . 118 LEU C . 18899 1 1258 . 1 1 118 118 LEU CA C 13 58.210 0.003 . 1 . . . . 118 LEU CA . 18899 1 1259 . 1 1 118 118 LEU CB C 13 42.860 0.027 . 1 . . . . 118 LEU CB . 18899 1 1260 . 1 1 118 118 LEU CD1 C 13 26.220 0.000 . 2 . . . . 118 LEU CD1 . 18899 1 1261 . 1 1 118 118 LEU CD2 C 13 22.545 0.000 . 2 . . . . 118 LEU CD2 . 18899 1 1262 . 1 1 118 118 LEU N N 15 120.091 0.057 . 1 . . . . 118 LEU N . 18899 1 1263 . 1 1 119 119 ARG H H 1 8.563 0.006 . 1 . . . . 119 ARG H . 18899 1 1264 . 1 1 119 119 ARG HA H 1 2.168 0.001 . 1 . . . . 119 ARG HA . 18899 1 1265 . 1 1 119 119 ARG HB2 H 1 1.553 0.005 . 2 . . . . 119 ARG HB2 . 18899 1 1266 . 1 1 119 119 ARG HB3 H 1 1.419 0.000 . 2 . . . . 119 ARG HB3 . 18899 1 1267 . 1 1 119 119 ARG C C 13 179.171 0.006 . 1 . . . . 119 ARG C . 18899 1 1268 . 1 1 119 119 ARG CA C 13 58.653 0.016 . 1 . . . . 119 ARG CA . 18899 1 1269 . 1 1 119 119 ARG CB C 13 30.207 0.003 . 1 . . . . 119 ARG CB . 18899 1 1270 . 1 1 119 119 ARG N N 15 119.628 0.050 . 1 . . . . 119 ARG N . 18899 1 1271 . 1 1 120 120 ARG H H 1 7.793 0.005 . 1 . . . . 120 ARG H . 18899 1 1272 . 1 1 120 120 ARG HA H 1 3.864 0.003 . 1 . . . . 120 ARG HA . 18899 1 1273 . 1 1 120 120 ARG HB2 H 1 1.795 0.003 . 2 . . . . 120 ARG HB2 . 18899 1 1274 . 1 1 120 120 ARG HB3 H 1 1.916 0.004 . 2 . . . . 120 ARG HB3 . 18899 1 1275 . 1 1 120 120 ARG C C 13 178.491 0.002 . 1 . . . . 120 ARG C . 18899 1 1276 . 1 1 120 120 ARG CA C 13 59.011 0.061 . 1 . . . . 120 ARG CA . 18899 1 1277 . 1 1 120 120 ARG CB C 13 29.847 0.004 . 1 . . . . 120 ARG CB . 18899 1 1278 . 1 1 120 120 ARG N N 15 120.897 0.036 . 1 . . . . 120 ARG N . 18899 1 1279 . 1 1 121 121 LEU H H 1 7.687 0.006 . 1 . . . . 121 LEU H . 18899 1 1280 . 1 1 121 121 LEU HA H 1 3.901 0.000 . 1 . . . . 121 LEU HA . 18899 1 1281 . 1 1 121 121 LEU HB2 H 1 0.824 0.006 . 2 . . . . 121 LEU HB2 . 18899 1 1282 . 1 1 121 121 LEU HB3 H 1 0.079 0.003 . 2 . . . . 121 LEU HB3 . 18899 1 1283 . 1 1 121 121 LEU HG H 1 1.424 0.001 . 1 . . . . 121 LEU HG . 18899 1 1284 . 1 1 121 121 LEU HD11 H 1 0.666 0.002 . 2 . . . . 121 LEU HD11 . 18899 1 1285 . 1 1 121 121 LEU HD12 H 1 0.666 0.002 . 2 . . . . 121 LEU HD12 . 18899 1 1286 . 1 1 121 121 LEU HD13 H 1 0.666 0.002 . 2 . . . . 121 LEU HD13 . 18899 1 1287 . 1 1 121 121 LEU HD21 H 1 0.507 0.003 . 2 . . . . 121 LEU HD21 . 18899 1 1288 . 1 1 121 121 LEU HD22 H 1 0.507 0.003 . 2 . . . . 121 LEU HD22 . 18899 1 1289 . 1 1 121 121 LEU HD23 H 1 0.507 0.003 . 2 . . . . 121 LEU HD23 . 18899 1 1290 . 1 1 121 121 LEU C C 13 179.233 0.000 . 1 . . . . 121 LEU C . 18899 1 1291 . 1 1 121 121 LEU CA C 13 57.474 0.001 . 1 . . . . 121 LEU CA . 18899 1 1292 . 1 1 121 121 LEU CB C 13 41.396 0.071 . 1 . . . . 121 LEU CB . 18899 1 1293 . 1 1 121 121 LEU CG C 13 26.582 0.071 . 1 . . . . 121 LEU CG . 18899 1 1294 . 1 1 121 121 LEU CD1 C 13 22.810 0.059 . 2 . . . . 121 LEU CD1 . 18899 1 1295 . 1 1 121 121 LEU CD2 C 13 25.445 0.039 . 2 . . . . 121 LEU CD2 . 18899 1 1296 . 1 1 121 121 LEU N N 15 118.028 0.050 . 1 . . . . 121 LEU N . 18899 1 1297 . 1 1 122 122 TYR H H 1 7.862 0.003 . 1 . . . . 122 TYR H . 18899 1 1298 . 1 1 122 122 TYR HA H 1 5.210 0.006 . 1 . . . . 122 TYR HA . 18899 1 1299 . 1 1 122 122 TYR HB2 H 1 3.525 0.005 . 2 . . . . 122 TYR HB2 . 18899 1 1300 . 1 1 122 122 TYR HB3 H 1 2.746 0.001 . 2 . . . . 122 TYR HB3 . 18899 1 1301 . 1 1 122 122 TYR HD1 H 1 6.929 0.005 . 3 . . . . 122 TYR HD1 . 18899 1 1302 . 1 1 122 122 TYR HD2 H 1 6.929 0.005 . 3 . . . . 122 TYR HD2 . 18899 1 1303 . 1 1 122 122 TYR HE1 H 1 5.716 0.005 . 3 . . . . 122 TYR HE1 . 18899 1 1304 . 1 1 122 122 TYR HE2 H 1 5.716 0.005 . 3 . . . . 122 TYR HE2 . 18899 1 1305 . 1 1 122 122 TYR C C 13 177.149 0.000 . 1 . . . . 122 TYR C . 18899 1 1306 . 1 1 122 122 TYR CA C 13 56.469 0.006 . 1 . . . . 122 TYR CA . 18899 1 1307 . 1 1 122 122 TYR CB C 13 40.158 0.010 . 1 . . . . 122 TYR CB . 18899 1 1308 . 1 1 122 122 TYR CD1 C 13 133.514 0.000 . 3 . . . . 122 TYR CD1 . 18899 1 1309 . 1 1 122 122 TYR CD2 C 13 133.514 0.000 . 3 . . . . 122 TYR CD2 . 18899 1 1310 . 1 1 122 122 TYR CE1 C 13 116.947 0.138 . 3 . . . . 122 TYR CE1 . 18899 1 1311 . 1 1 122 122 TYR CE2 C 13 116.947 0.138 . 3 . . . . 122 TYR CE2 . 18899 1 1312 . 1 1 122 122 TYR N N 15 112.770 0.047 . 1 . . . . 122 TYR N . 18899 1 1313 . 1 1 123 123 GLY H H 1 8.139 0.005 . 1 . . . . 123 GLY H . 18899 1 1314 . 1 1 123 123 GLY HA2 H 1 4.434 0.005 . 2 . . . . 123 GLY HA2 . 18899 1 1315 . 1 1 123 123 GLY HA3 H 1 3.645 0.006 . 2 . . . . 123 GLY HA3 . 18899 1 1316 . 1 1 123 123 GLY C C 13 174.144 0.000 . 1 . . . . 123 GLY C . 18899 1 1317 . 1 1 123 123 GLY CA C 13 46.016 0.025 . 1 . . . . 123 GLY CA . 18899 1 1318 . 1 1 123 123 GLY N N 15 109.450 0.051 . 1 . . . . 123 GLY N . 18899 1 1319 . 1 1 124 124 SER H H 1 8.309 0.007 . 1 . . . . 124 SER H . 18899 1 1320 . 1 1 124 124 SER HA H 1 4.552 0.004 . 1 . . . . 124 SER HA . 18899 1 1321 . 1 1 124 124 SER HB2 H 1 3.926 0.003 . 1 . . . . 124 SER HB2 . 18899 1 1322 . 1 1 124 124 SER HB3 H 1 3.926 0.003 . 1 . . . . 124 SER HB3 . 18899 1 1323 . 1 1 124 124 SER C C 13 174.172 0.004 . 1 . . . . 124 SER C . 18899 1 1324 . 1 1 124 124 SER CA C 13 58.126 0.002 . 1 . . . . 124 SER CA . 18899 1 1325 . 1 1 124 124 SER CB C 13 64.145 0.018 . 1 . . . . 124 SER CB . 18899 1 1326 . 1 1 124 124 SER N N 15 115.467 0.045 . 1 . . . . 124 SER N . 18899 1 1327 . 1 1 125 125 ALA H H 1 8.379 0.006 . 1 . . . . 125 ALA H . 18899 1 1328 . 1 1 125 125 ALA HA H 1 4.384 0.001 . 1 . . . . 125 ALA HA . 18899 1 1329 . 1 1 125 125 ALA HB1 H 1 1.413 0.003 . 1 . . . . 125 ALA HB1 . 18899 1 1330 . 1 1 125 125 ALA HB2 H 1 1.413 0.003 . 1 . . . . 125 ALA HB2 . 18899 1 1331 . 1 1 125 125 ALA HB3 H 1 1.413 0.003 . 1 . . . . 125 ALA HB3 . 18899 1 1332 . 1 1 125 125 ALA C C 13 177.189 0.011 . 1 . . . . 125 ALA C . 18899 1 1333 . 1 1 125 125 ALA CA C 13 52.325 0.021 . 1 . . . . 125 ALA CA . 18899 1 1334 . 1 1 125 125 ALA CB C 13 19.534 0.048 . 1 . . . . 125 ALA CB . 18899 1 1335 . 1 1 125 125 ALA N N 15 125.987 0.039 . 1 . . . . 125 ALA N . 18899 1 1336 . 1 1 126 126 ASP H H 1 8.376 0.003 . 1 . . . . 126 ASP H . 18899 1 1337 . 1 1 126 126 ASP HA H 1 4.866 0.003 . 1 . . . . 126 ASP HA . 18899 1 1338 . 1 1 126 126 ASP HB2 H 1 2.568 0.002 . 2 . . . . 126 ASP HB2 . 18899 1 1339 . 1 1 126 126 ASP HB3 H 1 2.777 0.001 . 2 . . . . 126 ASP HB3 . 18899 1 1340 . 1 1 126 126 ASP CA C 13 52.254 0.038 . 1 . . . . 126 ASP CA . 18899 1 1341 . 1 1 126 126 ASP CB C 13 41.342 0.037 . 1 . . . . 126 ASP CB . 18899 1 1342 . 1 1 126 126 ASP N N 15 121.433 0.023 . 1 . . . . 126 ASP N . 18899 1 1343 . 1 1 127 127 PRO HA H 1 4.409 0.004 . 1 . . . . 127 PRO HA . 18899 1 1344 . 1 1 127 127 PRO HB2 H 1 1.941 0.001 . 2 . . . . 127 PRO HB2 . 18899 1 1345 . 1 1 127 127 PRO HB3 H 1 2.320 0.001 . 2 . . . . 127 PRO HB3 . 18899 1 1346 . 1 1 127 127 PRO HG2 H 1 2.033 0.000 . 1 . . . . 127 PRO HG2 . 18899 1 1347 . 1 1 127 127 PRO HG3 H 1 2.033 0.000 . 1 . . . . 127 PRO HG3 . 18899 1 1348 . 1 1 127 127 PRO HD2 H 1 3.830 0.005 . 2 . . . . 127 PRO HD2 . 18899 1 1349 . 1 1 127 127 PRO HD3 H 1 3.899 0.005 . 2 . . . . 127 PRO HD3 . 18899 1 1350 . 1 1 127 127 PRO C C 13 177.260 0.015 . 1 . . . . 127 PRO C . 18899 1 1351 . 1 1 127 127 PRO CA C 13 63.613 0.019 . 1 . . . . 127 PRO CA . 18899 1 1352 . 1 1 127 127 PRO CB C 13 32.205 0.064 . 1 . . . . 127 PRO CB . 18899 1 1353 . 1 1 127 127 PRO CG C 13 27.245 0.061 . 1 . . . . 127 PRO CG . 18899 1 1354 . 1 1 127 127 PRO CD C 13 50.833 0.017 . 1 . . . . 127 PRO CD . 18899 1 1355 . 1 1 128 128 LEU H H 1 8.356 0.005 . 1 . . . . 128 LEU H . 18899 1 1356 . 1 1 128 128 LEU HA H 1 4.243 0.003 . 1 . . . . 128 LEU HA . 18899 1 1357 . 1 1 128 128 LEU HB2 H 1 1.664 0.004 . 2 . . . . 128 LEU HB2 . 18899 1 1358 . 1 1 128 128 LEU HB3 H 1 1.491 0.002 . 2 . . . . 128 LEU HB3 . 18899 1 1359 . 1 1 128 128 LEU HG H 1 1.598 0.000 . 1 . . . . 128 LEU HG . 18899 1 1360 . 1 1 128 128 LEU HD11 H 1 0.910 0.001 . 2 . . . . 128 LEU HD11 . 18899 1 1361 . 1 1 128 128 LEU HD12 H 1 0.910 0.001 . 2 . . . . 128 LEU HD12 . 18899 1 1362 . 1 1 128 128 LEU HD13 H 1 0.910 0.001 . 2 . . . . 128 LEU HD13 . 18899 1 1363 . 1 1 128 128 LEU HD21 H 1 0.825 0.005 . 2 . . . . 128 LEU HD21 . 18899 1 1364 . 1 1 128 128 LEU HD22 H 1 0.825 0.005 . 2 . . . . 128 LEU HD22 . 18899 1 1365 . 1 1 128 128 LEU HD23 H 1 0.825 0.005 . 2 . . . . 128 LEU HD23 . 18899 1 1366 . 1 1 128 128 LEU C C 13 177.606 0.013 . 1 . . . . 128 LEU C . 18899 1 1367 . 1 1 128 128 LEU CA C 13 55.264 0.057 . 1 . . . . 128 LEU CA . 18899 1 1368 . 1 1 128 128 LEU CB C 13 41.830 0.043 . 1 . . . . 128 LEU CB . 18899 1 1369 . 1 1 128 128 LEU CG C 13 27.179 0.031 . 1 . . . . 128 LEU CG . 18899 1 1370 . 1 1 128 128 LEU CD1 C 13 25.029 0.039 . 2 . . . . 128 LEU CD1 . 18899 1 1371 . 1 1 128 128 LEU CD2 C 13 23.153 0.055 . 2 . . . . 128 LEU CD2 . 18899 1 1372 . 1 1 128 128 LEU N N 15 120.503 0.052 . 1 . . . . 128 LEU N . 18899 1 1373 . 1 1 129 129 GLU H H 1 8.010 0.006 . 1 . . . . 129 GLU H . 18899 1 1374 . 1 1 129 129 GLU HA H 1 4.141 0.003 . 1 . . . . 129 GLU HA . 18899 1 1375 . 1 1 129 129 GLU HB2 H 1 1.915 0.001 . 1 . . . . 129 GLU HB2 . 18899 1 1376 . 1 1 129 129 GLU HB3 H 1 1.915 0.001 . 1 . . . . 129 GLU HB3 . 18899 1 1377 . 1 1 129 129 GLU HG2 H 1 2.189 0.000 . 2 . . . . 129 GLU HG2 . 18899 1 1378 . 1 1 129 129 GLU HG3 H 1 2.113 0.000 . 2 . . . . 129 GLU HG3 . 18899 1 1379 . 1 1 129 129 GLU CA C 13 56.748 0.002 . 1 . . . . 129 GLU CA . 18899 1 1380 . 1 1 129 129 GLU CB C 13 30.259 0.005 . 1 . . . . 129 GLU CB . 18899 1 1381 . 1 1 129 129 GLU CG C 13 36.078 0.000 . 1 . . . . 129 GLU CG . 18899 1 1382 . 1 1 129 129 GLU N N 15 120.369 0.062 . 1 . . . . 129 GLU N . 18899 1 stop_ save_