data_11549 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11549 _Entry.Title ; DnaT C-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-01-28 _Entry.Accession_date 2014-01-29 _Entry.Last_release_date 2014-10-06 _Entry.Original_release_date 2014-10-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.61 _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 Yoshito Abe . . . 11549 2 Junya Tani . . . 11549 3 Saki Fujiyama . . . 11549 4 Masashi Urabe . . . 11549 5 Kenji Sato . . . 11549 6 Takahiko Aramaki . . . 11549 7 Tsutomu Katayama . . . 11549 8 Tadashi Ueda . . . 11549 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11549 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA binding' . 11549 DnaT . 11549 Primosome . 11549 'replication restart' . 11549 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11549 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 397 11549 '15N chemical shifts' 93 11549 '1H chemical shifts' 633 11549 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 . . 2014-10-06 2014-01-28 original author . 11549 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11549 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structure and a novel mechanism of the primosome protein DnaT: formation of DnaT-ssDNA complex and dissociation of ssDNA from PriB-ssDNA complex.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Saki Fujiyama . . . 11549 1 2 Yoshito Abe . . . 11549 1 3 Junya Tani . . . 11549 1 4 Masashi Urabe . . . 11549 1 5 Kenji Sato . . . 11549 1 6 Takahiko Aramaki . . . 11549 1 7 Tsutomu Katayama . . . 11549 1 8 Tadashi Ueda . . . 11549 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11549 _Assembly.ID 1 _Assembly.Name DnaT _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 DnaT 1 $DnaT A . yes native no no . . . 11549 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 2RU8 . . . . 'Structure from this entry' . 11549 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DnaT _Entity.Sf_category entity _Entity.Sf_framecode DnaT _Entity.Entry_ID 11549 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DnaT _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MFAMYPDWQPDADFIRLAAL WGVALREPVTTEELASFIAY WQAEGKVFHHVQWQQKLARS LQIGRASNGGLPKRDVNTVS EPDSQIPPGFRGHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Second phenylalanine is the 89th residue of DnaT in Escherichia coli' _Entity.Polymer_author_seq_details ; First methionine is a initial codon for expression in Escherichia coli. Last 6 residues is affinity tag. This is the C-terminal domain of replication restart factor, DnaT ; _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'ssDNA binding domain of DnaT' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10408.844 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2RU8 . "Dnat C-terminal Domain" . . . . . 100.00 98 100.00 100.00 2.13e-65 . . . . 11549 1 2 no PDB 4OU6 . "Crystal Structure Of Dnat84-153-dt10 Ssdna Complex Form 1" . . . . . 72.45 76 100.00 100.00 2.24e-43 . . . . 11549 1 3 no PDB 4OU7 . "Crystal Structure Of Dnat84-153-dt10 Ssdna Complex Reveals A Novel Single-stranded Dna Binding Mode" . . . . . 67.35 71 100.00 100.00 4.25e-39 . . . . 11549 1 4 no DBJ BAB38745 . "primosomal protein DnaT [Escherichia coli O157:H7 str. Sakai]" . . . . . 92.86 179 100.00 100.00 1.40e-59 . . . . 11549 1 5 no DBJ BAE78352 . "DNA biosynthesis protein [Escherichia coli str. K12 substr. W3110]" . . . . . 92.86 179 100.00 100.00 1.30e-59 . . . . 11549 1 6 no DBJ BAG80162 . "primosomal protein I [Escherichia coli SE11]" . . . . . 92.86 179 98.90 98.90 4.59e-59 . . . . 11549 1 7 no DBJ BAI28689 . "DNA biosynthesis protein DnaT [Escherichia coli O26:H11 str. 11368]" . . . . . 92.86 179 100.00 100.00 1.30e-59 . . . . 11549 1 8 no DBJ BAI33823 . "DNA biosynthesis protein DnaT [Escherichia coli O103:H2 str. 12009]" . . . . . 92.86 179 100.00 100.00 1.30e-59 . . . . 11549 1 9 no EMBL CAP78850 . "Primosomal protein 1 [Escherichia coli LF82]" . . . . . 92.86 179 97.80 97.80 9.61e-58 . . . . 11549 1 10 no EMBL CAQ34722 . "dnaT, subunit of primosome [Escherichia coli BL21(DE3)]" . . . . . 92.86 179 100.00 100.00 1.30e-59 . . . . 11549 1 11 no EMBL CAR01325 . "DNA biosynthesis protein (primosomal protein I) [Escherichia coli IAI1]" . . . . . 92.86 179 98.90 98.90 4.59e-59 . . . . 11549 1 12 no EMBL CAR06127 . "DNA biosynthesis protein (primosomal protein I) [Escherichia coli S88]" . . . . . 92.86 179 100.00 100.00 1.30e-59 . . . . 11549 1 13 no EMBL CAR16096 . "DNA biosynthesis protein (primosomal protein I) [Escherichia coli UMN026]" . . . . . 92.86 179 98.90 98.90 8.34e-59 . . . . 11549 1 14 no GB AAA23699 . "prepriming protein I [Escherichia coli]" . . . . . 92.86 179 100.00 100.00 1.30e-59 . . . . 11549 1 15 no GB AAA97261 . "CG Site No. 839 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 92.86 179 100.00 100.00 1.30e-59 . . . . 11549 1 16 no GB AAC77318 . "DNA biosynthesis protein (primosomal protein I) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 92.86 179 100.00 100.00 1.30e-59 . . . . 11549 1 17 no GB AAG59545 . "DNA biosynthesis; primosomal protein i [Escherichia coli O157:H7 str. EDL933]" . . . . . 92.86 179 100.00 100.00 1.40e-59 . . . . 11549 1 18 no GB AAN45808 . "primosomal protein i [Shigella flexneri 2a str. 301]" . . . . . 92.86 179 100.00 100.00 1.30e-59 . . . . 11549 1 19 no REF NP_313349 . "primosomal protein DnaI [Escherichia coli O157:H7 str. Sakai]" . . . . . 92.86 179 100.00 100.00 1.40e-59 . . . . 11549 1 20 no REF NP_418782 . "DNA biosynthesis protein (primosomal protein I) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 92.86 179 100.00 100.00 1.30e-59 . . . . 11549 1 21 no REF NP_710101 . "primosomal protein DnaI [Shigella flexneri 2a str. 301]" . . . . . 92.86 179 100.00 100.00 1.30e-59 . . . . 11549 1 22 no REF WP_000098809 . "primosomal protein DnaI [Escherichia coli]" . . . . . 92.86 179 100.00 100.00 1.34e-59 . . . . 11549 1 23 no REF WP_000098810 . "primosomal protein DnaI [Escherichia coli]" . . . . . 92.86 179 100.00 100.00 1.13e-59 . . . . 11549 1 24 no SP A1AJN5 . "RecName: Full=Primosomal protein 1; AltName: Full=Primosomal protein I" . . . . . 92.86 179 97.80 97.80 9.61e-58 . . . . 11549 1 25 no SP A7ZVQ2 . "RecName: Full=Primosomal protein 1; AltName: Full=Primosomal protein I" . . . . . 92.86 179 100.00 100.00 1.30e-59 . . . . 11549 1 26 no SP A8A891 . "RecName: Full=Primosomal protein 1; AltName: Full=Primosomal protein I" . . . . . 92.86 179 98.90 98.90 4.59e-59 . . . . 11549 1 27 no SP B1IS56 . "RecName: Full=Primosomal protein 1; AltName: Full=Primosomal protein I" . . . . . 92.86 179 100.00 100.00 8.89e-60 . . . . 11549 1 28 no SP B1LEG6 . "RecName: Full=Primosomal protein 1; AltName: Full=Primosomal protein I" . . . . . 92.86 179 100.00 100.00 1.30e-59 . . . . 11549 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 88 MET . 11549 1 2 89 PHE . 11549 1 3 90 ALA . 11549 1 4 91 MET . 11549 1 5 92 TYR . 11549 1 6 93 PRO . 11549 1 7 94 ASP . 11549 1 8 95 TRP . 11549 1 9 96 GLN . 11549 1 10 97 PRO . 11549 1 11 98 ASP . 11549 1 12 99 ALA . 11549 1 13 100 ASP . 11549 1 14 101 PHE . 11549 1 15 102 ILE . 11549 1 16 103 ARG . 11549 1 17 104 LEU . 11549 1 18 105 ALA . 11549 1 19 106 ALA . 11549 1 20 107 LEU . 11549 1 21 108 TRP . 11549 1 22 109 GLY . 11549 1 23 110 VAL . 11549 1 24 111 ALA . 11549 1 25 112 LEU . 11549 1 26 113 ARG . 11549 1 27 114 GLU . 11549 1 28 115 PRO . 11549 1 29 116 VAL . 11549 1 30 117 THR . 11549 1 31 118 THR . 11549 1 32 119 GLU . 11549 1 33 120 GLU . 11549 1 34 121 LEU . 11549 1 35 122 ALA . 11549 1 36 123 SER . 11549 1 37 124 PHE . 11549 1 38 125 ILE . 11549 1 39 126 ALA . 11549 1 40 127 TYR . 11549 1 41 128 TRP . 11549 1 42 129 GLN . 11549 1 43 130 ALA . 11549 1 44 131 GLU . 11549 1 45 132 GLY . 11549 1 46 133 LYS . 11549 1 47 134 VAL . 11549 1 48 135 PHE . 11549 1 49 136 HIS . 11549 1 50 137 HIS . 11549 1 51 138 VAL . 11549 1 52 139 GLN . 11549 1 53 140 TRP . 11549 1 54 141 GLN . 11549 1 55 142 GLN . 11549 1 56 143 LYS . 11549 1 57 144 LEU . 11549 1 58 145 ALA . 11549 1 59 146 ARG . 11549 1 60 147 SER . 11549 1 61 148 LEU . 11549 1 62 149 GLN . 11549 1 63 150 ILE . 11549 1 64 151 GLY . 11549 1 65 152 ARG . 11549 1 66 153 ALA . 11549 1 67 154 SER . 11549 1 68 155 ASN . 11549 1 69 156 GLY . 11549 1 70 157 GLY . 11549 1 71 158 LEU . 11549 1 72 159 PRO . 11549 1 73 160 LYS . 11549 1 74 161 ARG . 11549 1 75 162 ASP . 11549 1 76 163 VAL . 11549 1 77 164 ASN . 11549 1 78 165 THR . 11549 1 79 166 VAL . 11549 1 80 167 SER . 11549 1 81 168 GLU . 11549 1 82 169 PRO . 11549 1 83 170 ASP . 11549 1 84 171 SER . 11549 1 85 172 GLN . 11549 1 86 173 ILE . 11549 1 87 174 PRO . 11549 1 88 175 PRO . 11549 1 89 176 GLY . 11549 1 90 177 PHE . 11549 1 91 178 ARG . 11549 1 92 179 GLY . 11549 1 93 180 HIS . 11549 1 94 181 HIS . 11549 1 95 182 HIS . 11549 1 96 183 HIS . 11549 1 97 184 HIS . 11549 1 98 185 HIS . 11549 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 11549 1 . PHE 2 2 11549 1 . ALA 3 3 11549 1 . MET 4 4 11549 1 . TYR 5 5 11549 1 . PRO 6 6 11549 1 . ASP 7 7 11549 1 . TRP 8 8 11549 1 . GLN 9 9 11549 1 . PRO 10 10 11549 1 . ASP 11 11 11549 1 . ALA 12 12 11549 1 . ASP 13 13 11549 1 . PHE 14 14 11549 1 . ILE 15 15 11549 1 . ARG 16 16 11549 1 . LEU 17 17 11549 1 . ALA 18 18 11549 1 . ALA 19 19 11549 1 . LEU 20 20 11549 1 . TRP 21 21 11549 1 . GLY 22 22 11549 1 . VAL 23 23 11549 1 . ALA 24 24 11549 1 . LEU 25 25 11549 1 . ARG 26 26 11549 1 . GLU 27 27 11549 1 . PRO 28 28 11549 1 . VAL 29 29 11549 1 . THR 30 30 11549 1 . THR 31 31 11549 1 . GLU 32 32 11549 1 . GLU 33 33 11549 1 . LEU 34 34 11549 1 . ALA 35 35 11549 1 . SER 36 36 11549 1 . PHE 37 37 11549 1 . ILE 38 38 11549 1 . ALA 39 39 11549 1 . TYR 40 40 11549 1 . TRP 41 41 11549 1 . GLN 42 42 11549 1 . ALA 43 43 11549 1 . GLU 44 44 11549 1 . GLY 45 45 11549 1 . LYS 46 46 11549 1 . VAL 47 47 11549 1 . PHE 48 48 11549 1 . HIS 49 49 11549 1 . HIS 50 50 11549 1 . VAL 51 51 11549 1 . GLN 52 52 11549 1 . TRP 53 53 11549 1 . GLN 54 54 11549 1 . GLN 55 55 11549 1 . LYS 56 56 11549 1 . LEU 57 57 11549 1 . ALA 58 58 11549 1 . ARG 59 59 11549 1 . SER 60 60 11549 1 . LEU 61 61 11549 1 . GLN 62 62 11549 1 . ILE 63 63 11549 1 . GLY 64 64 11549 1 . ARG 65 65 11549 1 . ALA 66 66 11549 1 . SER 67 67 11549 1 . ASN 68 68 11549 1 . GLY 69 69 11549 1 . GLY 70 70 11549 1 . LEU 71 71 11549 1 . PRO 72 72 11549 1 . LYS 73 73 11549 1 . ARG 74 74 11549 1 . ASP 75 75 11549 1 . VAL 76 76 11549 1 . ASN 77 77 11549 1 . THR 78 78 11549 1 . VAL 79 79 11549 1 . SER 80 80 11549 1 . GLU 81 81 11549 1 . PRO 82 82 11549 1 . ASP 83 83 11549 1 . SER 84 84 11549 1 . GLN 85 85 11549 1 . ILE 86 86 11549 1 . PRO 87 87 11549 1 . PRO 88 88 11549 1 . GLY 89 89 11549 1 . PHE 90 90 11549 1 . ARG 91 91 11549 1 . GLY 92 92 11549 1 . HIS 93 93 11549 1 . HIS 94 94 11549 1 . HIS 95 95 11549 1 . HIS 96 96 11549 1 . HIS 97 97 11549 1 . HIS 98 98 11549 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 11549 _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 $DnaT . 562 organism . 'Escherichia coli' 'E.. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 11549 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 11549 _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 $DnaT . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET22b . . . . . . 11549 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11549 _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 DnaT '[U-99% 13C; U-99% 15N]' . . 1 $DnaT . protein 0.5 . . mM . . . . 11549 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 11549 1 3 H2O . . . . . . solvent 90 . . % . . . . 11549 1 4 D2O . . . . . . solvent 10 . . % . . . . 11549 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11549 _Sample.ID 2 _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 DnaT '[U-99% 15N]' . . 1 $DnaT . protein 0.1 . . mM . . . . 11549 2 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 11549 2 3 H2O . . . . . . solvent 90 . . % . . . . 11549 2 4 D2O . . . . . . solvent 10 . . % . . . . 11549 2 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 11549 _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' 0 . M 11549 1 pH 7.0 . pH 11549 1 pressure 1 . atm 11549 1 temperature 298 . K 11549 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 11549 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 11549 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11549 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11549 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11549 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11549 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 11549 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 11549 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'prediction of torsion angle' 11549 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 11549 _Software.ID 4 _Software.Name NMRDraw _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' . . 11549 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11549 4 stop_ save_ save_olivia _Software.Sf_category software _Software.Sf_framecode olivia _Software.Entry_ID 11549 _Software.ID 5 _Software.Name olivia _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'olivia developer team' 'hokkaido university in japan' http://fermi.pharm.hokudai.ac.jp/olivia/ 11549 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11549 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11549 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 11549 _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 Unity . 600 . . . 11549 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 11549 _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_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11549 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11549 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11549 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11549 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11549 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11549 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11549 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11549 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11549 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11549 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11549 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11549 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11549 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11549 1 15 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11549 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 11549 _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 0.0 internal indirect 0.251449530 . . . . . . . . . 11549 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 11549 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 11549 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 11549 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' 1 $sample_1 isotropic 11549 1 12 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 11549 1 13 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 11549 1 14 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11549 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 3.463 0.007 . 1 . . . A 88 MET HA . 11549 1 2 . 1 1 1 1 MET HB2 H 1 1.561 0.015 . 1 . . . A 88 MET HB2 . 11549 1 3 . 1 1 1 1 MET HB3 H 1 1.389 0.008 . 1 . . . A 88 MET HB3 . 11549 1 4 . 1 1 1 1 MET HG2 H 1 2.102 0.017 . 1 . . . A 88 MET HG2 . 11549 1 5 . 1 1 1 1 MET HG3 H 1 1.755 0.007 . 1 . . . A 88 MET HG3 . 11549 1 6 . 1 1 1 1 MET HE1 H 1 1.865 0.768 . 1 . . . A 88 MET HE1 . 11549 1 7 . 1 1 1 1 MET HE2 H 1 1.865 0.768 . 1 . . . A 88 MET HE2 . 11549 1 8 . 1 1 1 1 MET HE3 H 1 1.865 0.768 . 1 . . . A 88 MET HE3 . 11549 1 9 . 1 1 1 1 MET C C 13 174.375 0.000 . 1 . . . A 88 MET C . 11549 1 10 . 1 1 1 1 MET CA C 13 55.879 0.029 . 1 . . . A 88 MET CA . 11549 1 11 . 1 1 1 1 MET CB C 13 35.765 0.112 . 1 . . . A 88 MET CB . 11549 1 12 . 1 1 1 1 MET CG C 13 30.843 0.036 . 1 . . . A 88 MET CG . 11549 1 13 . 1 1 1 1 MET CE C 13 17.019 0.075 . 1 . . . A 88 MET CE . 11549 1 14 . 1 1 2 2 PHE H H 1 8.216 0.006 . 1 . . . A 89 PHE H . 11549 1 15 . 1 1 2 2 PHE HA H 1 5.108 0.007 . 1 . . . A 89 PHE HA . 11549 1 16 . 1 1 2 2 PHE HB2 H 1 3.430 0.014 . 2 . . . A 89 PHE HB2 . 11549 1 17 . 1 1 2 2 PHE HB3 H 1 3.430 0.014 . 2 . . . A 89 PHE HB3 . 11549 1 18 . 1 1 2 2 PHE HD1 H 1 7.487 0.024 . 3 . . . A 89 PHE HD1 . 11549 1 19 . 1 1 2 2 PHE HD2 H 1 7.487 0.024 . 3 . . . A 89 PHE HD2 . 11549 1 20 . 1 1 2 2 PHE HE1 H 1 7.353 0.022 . 3 . . . A 89 PHE HE1 . 11549 1 21 . 1 1 2 2 PHE HE2 H 1 7.353 0.022 . 3 . . . A 89 PHE HE2 . 11549 1 22 . 1 1 2 2 PHE HZ H 1 8.129 0.039 . 1 . . . A 89 PHE HZ . 11549 1 23 . 1 1 2 2 PHE C C 13 175.016 0.000 . 1 . . . A 89 PHE C . 11549 1 24 . 1 1 2 2 PHE CA C 13 55.928 0.134 . 1 . . . A 89 PHE CA . 11549 1 25 . 1 1 2 2 PHE CB C 13 40.837 0.064 . 1 . . . A 89 PHE CB . 11549 1 26 . 1 1 2 2 PHE CD1 C 13 132.746 0.396 . 3 . . . A 89 PHE CD1 . 11549 1 27 . 1 1 2 2 PHE CD2 C 13 132.746 0.396 . 3 . . . A 89 PHE CD2 . 11549 1 28 . 1 1 2 2 PHE CE1 C 13 130.658 0.000 . 3 . . . A 89 PHE CE1 . 11549 1 29 . 1 1 2 2 PHE CE2 C 13 130.658 0.000 . 3 . . . A 89 PHE CE2 . 11549 1 30 . 1 1 2 2 PHE CZ C 13 127.852 0.468 . 1 . . . A 89 PHE CZ . 11549 1 31 . 1 1 2 2 PHE N N 15 116.742 0.000 . 1 . . . A 89 PHE N . 11549 1 32 . 1 1 3 3 ALA H H 1 8.917 0.011 . 1 . . . A 90 ALA H . 11549 1 33 . 1 1 3 3 ALA HA H 1 5.166 0.016 . 1 . . . A 90 ALA HA . 11549 1 34 . 1 1 3 3 ALA HB1 H 1 1.509 0.019 . 1 . . . A 90 ALA HB1 . 11549 1 35 . 1 1 3 3 ALA HB2 H 1 1.509 0.019 . 1 . . . A 90 ALA HB2 . 11549 1 36 . 1 1 3 3 ALA HB3 H 1 1.509 0.019 . 1 . . . A 90 ALA HB3 . 11549 1 37 . 1 1 3 3 ALA C C 13 177.664 0.000 . 1 . . . A 90 ALA C . 11549 1 38 . 1 1 3 3 ALA CA C 13 51.102 0.181 . 1 . . . A 90 ALA CA . 11549 1 39 . 1 1 3 3 ALA CB C 13 19.375 0.242 . 1 . . . A 90 ALA CB . 11549 1 40 . 1 1 3 3 ALA N N 15 126.045 0.000 . 1 . . . A 90 ALA N . 11549 1 41 . 1 1 4 4 MET H H 1 9.182 0.006 . 1 . . . A 91 MET H . 11549 1 42 . 1 1 4 4 MET HA H 1 3.953 0.012 . 1 . . . A 91 MET HA . 11549 1 43 . 1 1 4 4 MET HB2 H 1 1.181 0.007 . 1 . . . A 91 MET HB2 . 11549 1 44 . 1 1 4 4 MET HB3 H 1 0.930 0.008 . 1 . . . A 91 MET HB3 . 11549 1 45 . 1 1 4 4 MET HG2 H 1 1.930 0.017 . 2 . . . A 91 MET HG2 . 11549 1 46 . 1 1 4 4 MET HG3 H 1 1.930 0.017 . 2 . . . A 91 MET HG3 . 11549 1 47 . 1 1 4 4 MET HE1 H 1 -0.713 0.006 . 1 . . . A 91 MET HE1 . 11549 1 48 . 1 1 4 4 MET HE2 H 1 -0.713 0.006 . 1 . . . A 91 MET HE2 . 11549 1 49 . 1 1 4 4 MET HE3 H 1 -0.713 0.006 . 1 . . . A 91 MET HE3 . 11549 1 50 . 1 1 4 4 MET C C 13 173.215 0.000 . 1 . . . A 91 MET C . 11549 1 51 . 1 1 4 4 MET CA C 13 54.340 0.213 . 1 . . . A 91 MET CA . 11549 1 52 . 1 1 4 4 MET CB C 13 29.193 0.259 . 1 . . . A 91 MET CB . 11549 1 53 . 1 1 4 4 MET CG C 13 31.988 0.000 . 1 . . . A 91 MET CG . 11549 1 54 . 1 1 4 4 MET CE C 13 12.347 0.645 . 1 . . . A 91 MET CE . 11549 1 55 . 1 1 4 4 MET N N 15 122.626 0.000 . 1 . . . A 91 MET N . 11549 1 56 . 1 1 5 5 TYR H H 1 7.049 0.007 . 1 . . . A 92 TYR H . 11549 1 57 . 1 1 5 5 TYR HA H 1 5.139 0.009 . 1 . . . A 92 TYR HA . 11549 1 58 . 1 1 5 5 TYR HB2 H 1 3.130 0.008 . 1 . . . A 92 TYR HB2 . 11549 1 59 . 1 1 5 5 TYR HB3 H 1 2.980 0.022 . 1 . . . A 92 TYR HB3 . 11549 1 60 . 1 1 5 5 TYR HD1 H 1 7.426 0.012 . 3 . . . A 92 TYR HD1 . 11549 1 61 . 1 1 5 5 TYR HD2 H 1 7.426 0.012 . 3 . . . A 92 TYR HD2 . 11549 1 62 . 1 1 5 5 TYR HE1 H 1 6.418 0.020 . 3 . . . A 92 TYR HE1 . 11549 1 63 . 1 1 5 5 TYR HE2 H 1 6.418 0.020 . 3 . . . A 92 TYR HE2 . 11549 1 64 . 1 1 5 5 TYR CA C 13 53.536 0.000 . 1 . . . A 92 TYR CA . 11549 1 65 . 1 1 5 5 TYR CB C 13 38.308 0.039 . 1 . . . A 92 TYR CB . 11549 1 66 . 1 1 5 5 TYR CD1 C 13 133.425 0.098 . 3 . . . A 92 TYR CD1 . 11549 1 67 . 1 1 5 5 TYR CD2 C 13 133.425 0.098 . 3 . . . A 92 TYR CD2 . 11549 1 68 . 1 1 5 5 TYR CE1 C 13 117.320 0.067 . 3 . . . A 92 TYR CE1 . 11549 1 69 . 1 1 5 5 TYR CE2 C 13 117.320 0.067 . 3 . . . A 92 TYR CE2 . 11549 1 70 . 1 1 5 5 TYR N N 15 119.564 0.000 . 1 . . . A 92 TYR N . 11549 1 71 . 1 1 6 6 PRO HA H 1 4.214 0.007 . 1 . . . A 93 PRO HA . 11549 1 72 . 1 1 6 6 PRO HB2 H 1 1.977 0.001 . 1 . . . A 93 PRO HB2 . 11549 1 73 . 1 1 6 6 PRO HB3 H 1 2.423 0.008 . 1 . . . A 93 PRO HB3 . 11549 1 74 . 1 1 6 6 PRO HG2 H 1 2.216 0.030 . 1 . . . A 93 PRO HG2 . 11549 1 75 . 1 1 6 6 PRO HG3 H 1 2.085 0.005 . 1 . . . A 93 PRO HG3 . 11549 1 76 . 1 1 6 6 PRO HD2 H 1 3.863 0.038 . 1 . . . A 93 PRO HD2 . 11549 1 77 . 1 1 6 6 PRO HD3 H 1 3.958 0.008 . 1 . . . A 93 PRO HD3 . 11549 1 78 . 1 1 6 6 PRO C C 13 177.180 0.000 . 1 . . . A 93 PRO C . 11549 1 79 . 1 1 6 6 PRO CA C 13 65.958 0.089 . 1 . . . A 93 PRO CA . 11549 1 80 . 1 1 6 6 PRO CB C 13 33.089 0.323 . 1 . . . A 93 PRO CB . 11549 1 81 . 1 1 6 6 PRO CG C 13 28.512 0.196 . 1 . . . A 93 PRO CG . 11549 1 82 . 1 1 6 6 PRO CD C 13 51.089 0.235 . 1 . . . A 93 PRO CD . 11549 1 83 . 1 1 7 7 ASP H H 1 7.484 0.006 . 1 . . . A 94 ASP H . 11549 1 84 . 1 1 7 7 ASP HA H 1 4.759 0.045 . 1 . . . A 94 ASP HA . 11549 1 85 . 1 1 7 7 ASP HB2 H 1 2.973 0.006 . 1 . . . A 94 ASP HB2 . 11549 1 86 . 1 1 7 7 ASP HB3 H 1 2.626 0.028 . 1 . . . A 94 ASP HB3 . 11549 1 87 . 1 1 7 7 ASP C C 13 174.606 0.000 . 1 . . . A 94 ASP C . 11549 1 88 . 1 1 7 7 ASP CA C 13 53.462 0.277 . 1 . . . A 94 ASP CA . 11549 1 89 . 1 1 7 7 ASP CB C 13 41.050 0.232 . 1 . . . A 94 ASP CB . 11549 1 90 . 1 1 7 7 ASP N N 15 112.233 0.000 . 1 . . . A 94 ASP N . 11549 1 91 . 1 1 8 8 TRP H H 1 7.103 0.007 . 1 . . . A 95 TRP H . 11549 1 92 . 1 1 8 8 TRP HA H 1 3.526 0.009 . 1 . . . A 95 TRP HA . 11549 1 93 . 1 1 8 8 TRP HB2 H 1 2.920 0.010 . 1 . . . A 95 TRP HB2 . 11549 1 94 . 1 1 8 8 TRP HB3 H 1 1.765 0.019 . 1 . . . A 95 TRP HB3 . 11549 1 95 . 1 1 8 8 TRP HD1 H 1 7.335 0.034 . 1 . . . A 95 TRP HD1 . 11549 1 96 . 1 1 8 8 TRP HE1 H 1 8.947 0.010 . 1 . . . A 95 TRP HE1 . 11549 1 97 . 1 1 8 8 TRP HE3 H 1 7.261 0.014 . 1 . . . A 95 TRP HE3 . 11549 1 98 . 1 1 8 8 TRP HZ2 H 1 7.138 0.019 . 1 . . . A 95 TRP HZ2 . 11549 1 99 . 1 1 8 8 TRP HZ3 H 1 6.586 0.034 . 1 . . . A 95 TRP HZ3 . 11549 1 100 . 1 1 8 8 TRP HH2 H 1 6.381 0.017 . 1 . . . A 95 TRP HH2 . 11549 1 101 . 1 1 8 8 TRP C C 13 174.002 0.000 . 1 . . . A 95 TRP C . 11549 1 102 . 1 1 8 8 TRP CA C 13 61.011 0.087 . 1 . . . A 95 TRP CA . 11549 1 103 . 1 1 8 8 TRP CB C 13 29.434 0.174 . 1 . . . A 95 TRP CB . 11549 1 104 . 1 1 8 8 TRP CD1 C 13 126.220 0.122 . 1 . . . A 95 TRP CD1 . 11549 1 105 . 1 1 8 8 TRP CE3 C 13 119.937 0.207 . 1 . . . A 95 TRP CE3 . 11549 1 106 . 1 1 8 8 TRP CZ2 C 13 112.722 0.447 . 1 . . . A 95 TRP CZ2 . 11549 1 107 . 1 1 8 8 TRP CZ3 C 13 118.776 0.892 . 1 . . . A 95 TRP CZ3 . 11549 1 108 . 1 1 8 8 TRP CH2 C 13 120.336 0.542 . 1 . . . A 95 TRP CH2 . 11549 1 109 . 1 1 8 8 TRP N N 15 124.798 0.000 . 1 . . . A 95 TRP N . 11549 1 110 . 1 1 8 8 TRP NE1 N 15 128.456 0.000 . 1 . . . A 95 TRP NE1 . 11549 1 111 . 1 1 9 9 GLN H H 1 6.382 0.006 . 1 . . . A 96 GLN H . 11549 1 112 . 1 1 9 9 GLN HA H 1 4.154 0.004 . 1 . . . A 96 GLN HA . 11549 1 113 . 1 1 9 9 GLN HB2 H 1 1.851 0.018 . 1 . . . A 96 GLN HB2 . 11549 1 114 . 1 1 9 9 GLN HB3 H 1 1.396 0.007 . 1 . . . A 96 GLN HB3 . 11549 1 115 . 1 1 9 9 GLN HG2 H 1 2.146 0.045 . 1 . . . A 96 GLN HG2 . 11549 1 116 . 1 1 9 9 GLN HG3 H 1 0.953 0.018 . 1 . . . A 96 GLN HG3 . 11549 1 117 . 1 1 9 9 GLN HE21 H 1 7.352 0.002 . 1 . . . A 96 GLN HE21 . 11549 1 118 . 1 1 9 9 GLN HE22 H 1 6.608 0.002 . 1 . . . A 96 GLN HE22 . 11549 1 119 . 1 1 9 9 GLN CA C 13 52.080 0.118 . 1 . . . A 96 GLN CA . 11549 1 120 . 1 1 9 9 GLN CB C 13 32.074 0.042 . 1 . . . A 96 GLN CB . 11549 1 121 . 1 1 9 9 GLN CG C 13 33.109 0.164 . 1 . . . A 96 GLN CG . 11549 1 122 . 1 1 9 9 GLN N N 15 121.003 0.000 . 1 . . . A 96 GLN N . 11549 1 123 . 1 1 9 9 GLN NE2 N 15 111.950 0.000 . 1 . . . A 96 GLN NE2 . 11549 1 124 . 1 1 10 10 PRO HA H 1 3.778 0.012 . 1 . . . A 97 PRO HA . 11549 1 125 . 1 1 10 10 PRO HB2 H 1 1.741 0.007 . 1 . . . A 97 PRO HB2 . 11549 1 126 . 1 1 10 10 PRO HB3 H 1 1.473 0.004 . 1 . . . A 97 PRO HB3 . 11549 1 127 . 1 1 10 10 PRO HG2 H 1 1.411 0.001 . 1 . . . A 97 PRO HG2 . 11549 1 128 . 1 1 10 10 PRO HG3 H 1 0.961 0.006 . 1 . . . A 97 PRO HG3 . 11549 1 129 . 1 1 10 10 PRO HD2 H 1 3.216 0.007 . 1 . . . A 97 PRO HD2 . 11549 1 130 . 1 1 10 10 PRO HD3 H 1 2.670 0.014 . 1 . . . A 97 PRO HD3 . 11549 1 131 . 1 1 10 10 PRO C C 13 174.667 0.000 . 1 . . . A 97 PRO C . 11549 1 132 . 1 1 10 10 PRO CA C 13 60.935 0.071 . 1 . . . A 97 PRO CA . 11549 1 133 . 1 1 10 10 PRO CB C 13 33.045 0.000 . 1 . . . A 97 PRO CB . 11549 1 134 . 1 1 10 10 PRO CG C 13 26.005 0.009 . 1 . . . A 97 PRO CG . 11549 1 135 . 1 1 10 10 PRO CD C 13 49.573 0.045 . 1 . . . A 97 PRO CD . 11549 1 136 . 1 1 11 11 ASP H H 1 8.388 0.008 . 1 . . . A 98 ASP H . 11549 1 137 . 1 1 11 11 ASP HA H 1 4.463 0.019 . 1 . . . A 98 ASP HA . 11549 1 138 . 1 1 11 11 ASP HB2 H 1 2.985 0.019 . 1 . . . A 98 ASP HB2 . 11549 1 139 . 1 1 11 11 ASP HB3 H 1 2.759 0.002 . 1 . . . A 98 ASP HB3 . 11549 1 140 . 1 1 11 11 ASP C C 13 177.692 0.000 . 1 . . . A 98 ASP C . 11549 1 141 . 1 1 11 11 ASP CA C 13 54.846 0.056 . 1 . . . A 98 ASP CA . 11549 1 142 . 1 1 11 11 ASP CB C 13 42.032 0.026 . 1 . . . A 98 ASP CB . 11549 1 143 . 1 1 11 11 ASP N N 15 119.554 0.000 . 1 . . . A 98 ASP N . 11549 1 144 . 1 1 12 12 ALA H H 1 8.999 0.006 . 1 . . . A 99 ALA H . 11549 1 145 . 1 1 12 12 ALA HA H 1 4.128 0.006 . 1 . . . A 99 ALA HA . 11549 1 146 . 1 1 12 12 ALA HB1 H 1 1.461 0.008 . 1 . . . A 99 ALA HB1 . 11549 1 147 . 1 1 12 12 ALA HB2 H 1 1.461 0.008 . 1 . . . A 99 ALA HB2 . 11549 1 148 . 1 1 12 12 ALA HB3 H 1 1.461 0.008 . 1 . . . A 99 ALA HB3 . 11549 1 149 . 1 1 12 12 ALA C C 13 179.075 0.000 . 1 . . . A 99 ALA C . 11549 1 150 . 1 1 12 12 ALA CA C 13 55.061 0.393 . 1 . . . A 99 ALA CA . 11549 1 151 . 1 1 12 12 ALA CB C 13 18.228 0.241 . 1 . . . A 99 ALA CB . 11549 1 152 . 1 1 12 12 ALA N N 15 124.178 0.000 . 1 . . . A 99 ALA N . 11549 1 153 . 1 1 13 13 ASP H H 1 8.648 0.008 . 1 . . . A 100 ASP H . 11549 1 154 . 1 1 13 13 ASP HA H 1 4.836 0.016 . 1 . . . A 100 ASP HA . 11549 1 155 . 1 1 13 13 ASP HB2 H 1 2.794 0.017 . 2 . . . A 100 ASP HB2 . 11549 1 156 . 1 1 13 13 ASP HB3 H 1 2.794 0.017 . 2 . . . A 100 ASP HB3 . 11549 1 157 . 1 1 13 13 ASP C C 13 175.598 0.000 . 1 . . . A 100 ASP C . 11549 1 158 . 1 1 13 13 ASP CA C 13 52.531 0.025 . 1 . . . A 100 ASP CA . 11549 1 159 . 1 1 13 13 ASP CB C 13 39.449 0.189 . 1 . . . A 100 ASP CB . 11549 1 160 . 1 1 13 13 ASP N N 15 115.279 0.000 . 1 . . . A 100 ASP N . 11549 1 161 . 1 1 14 14 PHE H H 1 7.568 0.007 . 1 . . . A 101 PHE H . 11549 1 162 . 1 1 14 14 PHE HA H 1 3.973 0.014 . 1 . . . A 101 PHE HA . 11549 1 163 . 1 1 14 14 PHE HB2 H 1 3.809 0.013 . 1 . . . A 101 PHE HB2 . 11549 1 164 . 1 1 14 14 PHE HB3 H 1 2.808 0.009 . 1 . . . A 101 PHE HB3 . 11549 1 165 . 1 1 14 14 PHE HD1 H 1 7.232 0.027 . 3 . . . A 101 PHE HD1 . 11549 1 166 . 1 1 14 14 PHE HD2 H 1 7.232 0.027 . 3 . . . A 101 PHE HD2 . 11549 1 167 . 1 1 14 14 PHE HE1 H 1 7.184 0.030 . 3 . . . A 101 PHE HE1 . 11549 1 168 . 1 1 14 14 PHE HE2 H 1 7.184 0.030 . 3 . . . A 101 PHE HE2 . 11549 1 169 . 1 1 14 14 PHE C C 13 174.845 0.000 . 1 . . . A 101 PHE C . 11549 1 170 . 1 1 14 14 PHE CA C 13 62.145 0.123 . 1 . . . A 101 PHE CA . 11549 1 171 . 1 1 14 14 PHE CB C 13 40.614 0.233 . 1 . . . A 101 PHE CB . 11549 1 172 . 1 1 14 14 PHE CD1 C 13 131.186 0.197 . 3 . . . A 101 PHE CD1 . 11549 1 173 . 1 1 14 14 PHE CD2 C 13 131.186 0.197 . 3 . . . A 101 PHE CD2 . 11549 1 174 . 1 1 14 14 PHE CE1 C 13 128.921 0.000 . 3 . . . A 101 PHE CE1 . 11549 1 175 . 1 1 14 14 PHE CE2 C 13 128.921 0.000 . 3 . . . A 101 PHE CE2 . 11549 1 176 . 1 1 14 14 PHE N N 15 119.490 0.000 . 1 . . . A 101 PHE N . 11549 1 177 . 1 1 15 15 ILE H H 1 8.543 0.007 . 1 . . . A 102 ILE H . 11549 1 178 . 1 1 15 15 ILE HA H 1 3.312 0.012 . 1 . . . A 102 ILE HA . 11549 1 179 . 1 1 15 15 ILE HB H 1 1.807 0.012 . 1 . . . A 102 ILE HB . 11549 1 180 . 1 1 15 15 ILE HG12 H 1 1.528 0.013 . 1 . . . A 102 ILE HG12 . 11549 1 181 . 1 1 15 15 ILE HG13 H 1 1.272 0.012 . 1 . . . A 102 ILE HG13 . 11549 1 182 . 1 1 15 15 ILE HG21 H 1 0.804 0.011 . 1 . . . A 102 ILE HG21 . 11549 1 183 . 1 1 15 15 ILE HG22 H 1 0.804 0.011 . 1 . . . A 102 ILE HG22 . 11549 1 184 . 1 1 15 15 ILE HG23 H 1 0.804 0.011 . 1 . . . A 102 ILE HG23 . 11549 1 185 . 1 1 15 15 ILE HD11 H 1 0.684 0.012 . 1 . . . A 102 ILE HD11 . 11549 1 186 . 1 1 15 15 ILE HD12 H 1 0.684 0.012 . 1 . . . A 102 ILE HD12 . 11549 1 187 . 1 1 15 15 ILE HD13 H 1 0.684 0.012 . 1 . . . A 102 ILE HD13 . 11549 1 188 . 1 1 15 15 ILE C C 13 178.182 0.000 . 1 . . . A 102 ILE C . 11549 1 189 . 1 1 15 15 ILE CA C 13 64.818 0.174 . 1 . . . A 102 ILE CA . 11549 1 190 . 1 1 15 15 ILE CB C 13 36.323 0.649 . 1 . . . A 102 ILE CB . 11549 1 191 . 1 1 15 15 ILE CG1 C 13 28.654 0.270 . 1 . . . A 102 ILE CG1 . 11549 1 192 . 1 1 15 15 ILE CG2 C 13 17.104 0.043 . 1 . . . A 102 ILE CG2 . 11549 1 193 . 1 1 15 15 ILE CD1 C 13 11.711 0.342 . 1 . . . A 102 ILE CD1 . 11549 1 194 . 1 1 15 15 ILE N N 15 116.281 0.000 . 1 . . . A 102 ILE N . 11549 1 195 . 1 1 16 16 ARG H H 1 7.404 0.006 . 1 . . . A 103 ARG H . 11549 1 196 . 1 1 16 16 ARG HA H 1 3.935 0.006 . 1 . . . A 103 ARG HA . 11549 1 197 . 1 1 16 16 ARG HB2 H 1 1.918 0.004 . 1 . . . A 103 ARG HB2 . 11549 1 198 . 1 1 16 16 ARG HB3 H 1 1.796 0.012 . 1 . . . A 103 ARG HB3 . 11549 1 199 . 1 1 16 16 ARG HG2 H 1 1.573 0.031 . 1 . . . A 103 ARG HG2 . 11549 1 200 . 1 1 16 16 ARG HG3 H 1 1.351 0.019 . 1 . . . A 103 ARG HG3 . 11549 1 201 . 1 1 16 16 ARG HD2 H 1 3.238 0.004 . 2 . . . A 103 ARG HD2 . 11549 1 202 . 1 1 16 16 ARG HD3 H 1 3.238 0.004 . 2 . . . A 103 ARG HD3 . 11549 1 203 . 1 1 16 16 ARG C C 13 178.981 0.000 . 1 . . . A 103 ARG C . 11549 1 204 . 1 1 16 16 ARG CA C 13 59.060 0.315 . 1 . . . A 103 ARG CA . 11549 1 205 . 1 1 16 16 ARG CB C 13 30.547 0.263 . 1 . . . A 103 ARG CB . 11549 1 206 . 1 1 16 16 ARG CG C 13 27.407 0.341 . 1 . . . A 103 ARG CG . 11549 1 207 . 1 1 16 16 ARG CD C 13 43.294 0.024 . 1 . . . A 103 ARG CD . 11549 1 208 . 1 1 16 16 ARG N N 15 121.847 0.000 . 1 . . . A 103 ARG N . 11549 1 209 . 1 1 17 17 LEU H H 1 7.589 0.009 . 1 . . . A 104 LEU H . 11549 1 210 . 1 1 17 17 LEU HA H 1 3.208 0.016 . 1 . . . A 104 LEU HA . 11549 1 211 . 1 1 17 17 LEU HB2 H 1 1.202 0.022 . 1 . . . A 104 LEU HB2 . 11549 1 212 . 1 1 17 17 LEU HB3 H 1 0.280 0.012 . 1 . . . A 104 LEU HB3 . 11549 1 213 . 1 1 17 17 LEU HG H 1 0.756 0.011 . 1 . . . A 104 LEU HG . 11549 1 214 . 1 1 17 17 LEU HD11 H 1 0.925 0.027 . 1 . . . A 104 LEU HD11 . 11549 1 215 . 1 1 17 17 LEU HD12 H 1 0.925 0.027 . 1 . . . A 104 LEU HD12 . 11549 1 216 . 1 1 17 17 LEU HD13 H 1 0.925 0.027 . 1 . . . A 104 LEU HD13 . 11549 1 217 . 1 1 17 17 LEU HD21 H 1 0.632 0.013 . 1 . . . A 104 LEU HD21 . 11549 1 218 . 1 1 17 17 LEU HD22 H 1 0.632 0.013 . 1 . . . A 104 LEU HD22 . 11549 1 219 . 1 1 17 17 LEU HD23 H 1 0.632 0.013 . 1 . . . A 104 LEU HD23 . 11549 1 220 . 1 1 17 17 LEU C C 13 177.318 0.000 . 1 . . . A 104 LEU C . 11549 1 221 . 1 1 17 17 LEU CA C 13 57.213 0.135 . 1 . . . A 104 LEU CA . 11549 1 222 . 1 1 17 17 LEU CB C 13 40.896 0.119 . 1 . . . A 104 LEU CB . 11549 1 223 . 1 1 17 17 LEU CG C 13 28.611 0.224 . 1 . . . A 104 LEU CG . 11549 1 224 . 1 1 17 17 LEU CD1 C 13 25.309 0.506 . 1 . . . A 104 LEU CD1 . 11549 1 225 . 1 1 17 17 LEU CD2 C 13 22.512 0.738 . 1 . . . A 104 LEU CD2 . 11549 1 226 . 1 1 17 17 LEU N N 15 121.274 0.000 . 1 . . . A 104 LEU N . 11549 1 227 . 1 1 18 18 ALA H H 1 8.225 0.006 . 1 . . . A 105 ALA H . 11549 1 228 . 1 1 18 18 ALA HA H 1 3.599 0.015 . 1 . . . A 105 ALA HA . 11549 1 229 . 1 1 18 18 ALA HB1 H 1 0.862 0.012 . 1 . . . A 105 ALA HB1 . 11549 1 230 . 1 1 18 18 ALA HB2 H 1 0.862 0.012 . 1 . . . A 105 ALA HB2 . 11549 1 231 . 1 1 18 18 ALA HB3 H 1 0.862 0.012 . 1 . . . A 105 ALA HB3 . 11549 1 232 . 1 1 18 18 ALA C C 13 179.420 0.000 . 1 . . . A 105 ALA C . 11549 1 233 . 1 1 18 18 ALA CA C 13 54.900 0.424 . 1 . . . A 105 ALA CA . 11549 1 234 . 1 1 18 18 ALA CB C 13 16.948 0.165 . 1 . . . A 105 ALA CB . 11549 1 235 . 1 1 18 18 ALA N N 15 117.712 0.000 . 1 . . . A 105 ALA N . 11549 1 236 . 1 1 19 19 ALA H H 1 7.058 0.006 . 1 . . . A 106 ALA H . 11549 1 237 . 1 1 19 19 ALA HA H 1 3.836 0.014 . 1 . . . A 106 ALA HA . 11549 1 238 . 1 1 19 19 ALA HB1 H 1 1.350 0.039 . 1 . . . A 106 ALA HB1 . 11549 1 239 . 1 1 19 19 ALA HB2 H 1 1.350 0.039 . 1 . . . A 106 ALA HB2 . 11549 1 240 . 1 1 19 19 ALA HB3 H 1 1.350 0.039 . 1 . . . A 106 ALA HB3 . 11549 1 241 . 1 1 19 19 ALA C C 13 182.351 0.000 . 1 . . . A 106 ALA C . 11549 1 242 . 1 1 19 19 ALA CA C 13 54.900 0.221 . 1 . . . A 106 ALA CA . 11549 1 243 . 1 1 19 19 ALA CB C 13 17.836 0.330 . 1 . . . A 106 ALA CB . 11549 1 244 . 1 1 19 19 ALA N N 15 118.649 0.000 . 1 . . . A 106 ALA N . 11549 1 245 . 1 1 20 20 LEU H H 1 7.470 0.007 . 1 . . . A 107 LEU H . 11549 1 246 . 1 1 20 20 LEU HA H 1 3.988 0.008 . 1 . . . A 107 LEU HA . 11549 1 247 . 1 1 20 20 LEU HB2 H 1 1.542 0.012 . 1 . . . A 107 LEU HB2 . 11549 1 248 . 1 1 20 20 LEU HB3 H 1 1.356 0.006 . 1 . . . A 107 LEU HB3 . 11549 1 249 . 1 1 20 20 LEU HG H 1 1.584 0.004 . 1 . . . A 107 LEU HG . 11549 1 250 . 1 1 20 20 LEU HD11 H 1 0.739 0.009 . 1 . . . A 107 LEU HD11 . 11549 1 251 . 1 1 20 20 LEU HD12 H 1 0.739 0.009 . 1 . . . A 107 LEU HD12 . 11549 1 252 . 1 1 20 20 LEU HD13 H 1 0.739 0.009 . 1 . . . A 107 LEU HD13 . 11549 1 253 . 1 1 20 20 LEU HD21 H 1 0.736 0.014 . 1 . . . A 107 LEU HD21 . 11549 1 254 . 1 1 20 20 LEU HD22 H 1 0.736 0.014 . 1 . . . A 107 LEU HD22 . 11549 1 255 . 1 1 20 20 LEU HD23 H 1 0.736 0.014 . 1 . . . A 107 LEU HD23 . 11549 1 256 . 1 1 20 20 LEU C C 13 179.345 0.000 . 1 . . . A 107 LEU C . 11549 1 257 . 1 1 20 20 LEU CA C 13 57.484 0.153 . 1 . . . A 107 LEU CA . 11549 1 258 . 1 1 20 20 LEU CB C 13 40.855 0.082 . 1 . . . A 107 LEU CB . 11549 1 259 . 1 1 20 20 LEU CG C 13 27.064 0.033 . 1 . . . A 107 LEU CG . 11549 1 260 . 1 1 20 20 LEU CD1 C 13 24.842 1.479 . 1 . . . A 107 LEU CD1 . 11549 1 261 . 1 1 20 20 LEU CD2 C 13 23.233 0.202 . 1 . . . A 107 LEU CD2 . 11549 1 262 . 1 1 20 20 LEU N N 15 122.144 0.000 . 1 . . . A 107 LEU N . 11549 1 263 . 1 1 21 21 TRP H H 1 7.449 0.010 . 1 . . . A 108 TRP H . 11549 1 264 . 1 1 21 21 TRP HA H 1 4.927 0.012 . 1 . . . A 108 TRP HA . 11549 1 265 . 1 1 21 21 TRP HB2 H 1 3.433 0.005 . 1 . . . A 108 TRP HB2 . 11549 1 266 . 1 1 21 21 TRP HB3 H 1 3.290 0.016 . 1 . . . A 108 TRP HB3 . 11549 1 267 . 1 1 21 21 TRP HD1 H 1 7.058 0.015 . 1 . . . A 108 TRP HD1 . 11549 1 268 . 1 1 21 21 TRP HE1 H 1 10.287 0.018 . 1 . . . A 108 TRP HE1 . 11549 1 269 . 1 1 21 21 TRP HE3 H 1 7.003 0.024 . 1 . . . A 108 TRP HE3 . 11549 1 270 . 1 1 21 21 TRP HZ2 H 1 7.388 0.008 . 1 . . . A 108 TRP HZ2 . 11549 1 271 . 1 1 21 21 TRP HZ3 H 1 6.674 0.011 . 1 . . . A 108 TRP HZ3 . 11549 1 272 . 1 1 21 21 TRP HH2 H 1 5.894 0.011 . 1 . . . A 108 TRP HH2 . 11549 1 273 . 1 1 21 21 TRP C C 13 176.082 0.000 . 1 . . . A 108 TRP C . 11549 1 274 . 1 1 21 21 TRP CA C 13 55.301 0.129 . 1 . . . A 108 TRP CA . 11549 1 275 . 1 1 21 21 TRP CB C 13 28.264 0.092 . 1 . . . A 108 TRP CB . 11549 1 276 . 1 1 21 21 TRP CD1 C 13 123.432 0.042 . 1 . . . A 108 TRP CD1 . 11549 1 277 . 1 1 21 21 TRP CE3 C 13 123.486 0.029 . 1 . . . A 108 TRP CE3 . 11549 1 278 . 1 1 21 21 TRP CZ2 C 13 113.694 0.178 . 1 . . . A 108 TRP CZ2 . 11549 1 279 . 1 1 21 21 TRP CZ3 C 13 118.359 0.141 . 1 . . . A 108 TRP CZ3 . 11549 1 280 . 1 1 21 21 TRP CH2 C 13 120.250 0.442 . 1 . . . A 108 TRP CH2 . 11549 1 281 . 1 1 21 21 TRP N N 15 119.266 0.000 . 1 . . . A 108 TRP N . 11549 1 282 . 1 1 21 21 TRP NE1 N 15 128.273 0.000 . 1 . . . A 108 TRP NE1 . 11549 1 283 . 1 1 22 22 GLY H H 1 7.799 0.005 . 1 . . . A 109 GLY H . 11549 1 284 . 1 1 22 22 GLY HA2 H 1 4.249 0.015 . 1 . . . A 109 GLY HA2 . 11549 1 285 . 1 1 22 22 GLY HA3 H 1 3.713 0.006 . 1 . . . A 109 GLY HA3 . 11549 1 286 . 1 1 22 22 GLY CA C 13 45.580 0.183 . 1 . . . A 109 GLY CA . 11549 1 287 . 1 1 22 22 GLY N N 15 107.117 0.000 . 1 . . . A 109 GLY N . 11549 1 288 . 1 1 23 23 VAL H H 1 8.420 0.009 . 1 . . . A 110 VAL H . 11549 1 289 . 1 1 23 23 VAL HA H 1 4.018 0.005 . 1 . . . A 110 VAL HA . 11549 1 290 . 1 1 23 23 VAL HB H 1 1.868 0.009 . 1 . . . A 110 VAL HB . 11549 1 291 . 1 1 23 23 VAL HG11 H 1 0.760 0.008 . 1 . . . A 110 VAL HG11 . 11549 1 292 . 1 1 23 23 VAL HG12 H 1 0.760 0.008 . 1 . . . A 110 VAL HG12 . 11549 1 293 . 1 1 23 23 VAL HG13 H 1 0.760 0.008 . 1 . . . A 110 VAL HG13 . 11549 1 294 . 1 1 23 23 VAL HG21 H 1 0.746 0.018 . 1 . . . A 110 VAL HG21 . 11549 1 295 . 1 1 23 23 VAL HG22 H 1 0.746 0.018 . 1 . . . A 110 VAL HG22 . 11549 1 296 . 1 1 23 23 VAL HG23 H 1 0.746 0.018 . 1 . . . A 110 VAL HG23 . 11549 1 297 . 1 1 23 23 VAL C C 13 173.254 0.000 . 1 . . . A 110 VAL C . 11549 1 298 . 1 1 23 23 VAL CA C 13 61.765 0.212 . 1 . . . A 110 VAL CA . 11549 1 299 . 1 1 23 23 VAL CB C 13 33.143 0.218 . 1 . . . A 110 VAL CB . 11549 1 300 . 1 1 23 23 VAL CG1 C 13 20.851 0.000 . 1 . . . A 110 VAL CG1 . 11549 1 301 . 1 1 23 23 VAL CG2 C 13 19.911 0.878 . 1 . . . A 110 VAL CG2 . 11549 1 302 . 1 1 23 23 VAL N N 15 123.070 0.000 . 1 . . . A 110 VAL N . 11549 1 303 . 1 1 24 24 ALA H H 1 8.434 0.012 . 1 . . . A 111 ALA H . 11549 1 304 . 1 1 24 24 ALA HA H 1 4.215 0.012 . 1 . . . A 111 ALA HA . 11549 1 305 . 1 1 24 24 ALA HB1 H 1 1.230 0.009 . 1 . . . A 111 ALA HB1 . 11549 1 306 . 1 1 24 24 ALA HB2 H 1 1.230 0.009 . 1 . . . A 111 ALA HB2 . 11549 1 307 . 1 1 24 24 ALA HB3 H 1 1.230 0.009 . 1 . . . A 111 ALA HB3 . 11549 1 308 . 1 1 24 24 ALA C C 13 176.019 0.000 . 1 . . . A 111 ALA C . 11549 1 309 . 1 1 24 24 ALA CA C 13 51.463 0.522 . 1 . . . A 111 ALA CA . 11549 1 310 . 1 1 24 24 ALA CB C 13 18.237 0.194 . 1 . . . A 111 ALA CB . 11549 1 311 . 1 1 24 24 ALA N N 15 131.038 0.000 . 1 . . . A 111 ALA N . 11549 1 312 . 1 1 25 25 LEU H H 1 8.077 0.020 . 1 . . . A 112 LEU H . 11549 1 313 . 1 1 25 25 LEU HA H 1 4.476 0.014 . 1 . . . A 112 LEU HA . 11549 1 314 . 1 1 25 25 LEU HB2 H 1 1.716 0.010 . 1 . . . A 112 LEU HB2 . 11549 1 315 . 1 1 25 25 LEU HB3 H 1 1.247 0.006 . 1 . . . A 112 LEU HB3 . 11549 1 316 . 1 1 25 25 LEU HG H 1 1.478 0.021 . 1 . . . A 112 LEU HG . 11549 1 317 . 1 1 25 25 LEU HD11 H 1 0.776 0.013 . 1 . . . A 112 LEU HD11 . 11549 1 318 . 1 1 25 25 LEU HD12 H 1 0.776 0.013 . 1 . . . A 112 LEU HD12 . 11549 1 319 . 1 1 25 25 LEU HD13 H 1 0.776 0.013 . 1 . . . A 112 LEU HD13 . 11549 1 320 . 1 1 25 25 LEU HD21 H 1 0.819 0.009 . 1 . . . A 112 LEU HD21 . 11549 1 321 . 1 1 25 25 LEU HD22 H 1 0.819 0.009 . 1 . . . A 112 LEU HD22 . 11549 1 322 . 1 1 25 25 LEU HD23 H 1 0.819 0.009 . 1 . . . A 112 LEU HD23 . 11549 1 323 . 1 1 25 25 LEU C C 13 176.558 0.000 . 1 . . . A 112 LEU C . 11549 1 324 . 1 1 25 25 LEU CA C 13 53.585 0.094 . 1 . . . A 112 LEU CA . 11549 1 325 . 1 1 25 25 LEU CB C 13 44.386 0.279 . 1 . . . A 112 LEU CB . 11549 1 326 . 1 1 25 25 LEU CG C 13 27.118 0.000 . 1 . . . A 112 LEU CG . 11549 1 327 . 1 1 25 25 LEU CD1 C 13 27.318 0.207 . 1 . . . A 112 LEU CD1 . 11549 1 328 . 1 1 25 25 LEU CD2 C 13 23.144 0.157 . 1 . . . A 112 LEU CD2 . 11549 1 329 . 1 1 25 25 LEU N N 15 124.590 0.000 . 1 . . . A 112 LEU N . 11549 1 330 . 1 1 26 26 ARG H H 1 9.049 0.004 . 1 . . . A 113 ARG H . 11549 1 331 . 1 1 26 26 ARG HA H 1 4.243 0.017 . 1 . . . A 113 ARG HA . 11549 1 332 . 1 1 26 26 ARG HB2 H 1 1.715 0.000 . 2 . . . A 113 ARG HB2 . 11549 1 333 . 1 1 26 26 ARG HB3 H 1 1.715 0.000 . 2 . . . A 113 ARG HB3 . 11549 1 334 . 1 1 26 26 ARG HG2 H 1 1.593 0.008 . 2 . . . A 113 ARG HG2 . 11549 1 335 . 1 1 26 26 ARG HG3 H 1 1.593 0.008 . 2 . . . A 113 ARG HG3 . 11549 1 336 . 1 1 26 26 ARG HD2 H 1 3.152 0.018 . 2 . . . A 113 ARG HD2 . 11549 1 337 . 1 1 26 26 ARG HD3 H 1 3.152 0.018 . 2 . . . A 113 ARG HD3 . 11549 1 338 . 1 1 26 26 ARG C C 13 175.472 0.000 . 1 . . . A 113 ARG C . 11549 1 339 . 1 1 26 26 ARG CA C 13 57.218 0.194 . 1 . . . A 113 ARG CA . 11549 1 340 . 1 1 26 26 ARG CB C 13 31.476 0.000 . 1 . . . A 113 ARG CB . 11549 1 341 . 1 1 26 26 ARG CG C 13 27.486 0.374 . 1 . . . A 113 ARG CG . 11549 1 342 . 1 1 26 26 ARG CD C 13 43.355 0.053 . 1 . . . A 113 ARG CD . 11549 1 343 . 1 1 26 26 ARG N N 15 120.700 0.000 . 1 . . . A 113 ARG N . 11549 1 344 . 1 1 27 27 GLU H H 1 7.325 0.008 . 1 . . . A 114 GLU H . 11549 1 345 . 1 1 27 27 GLU HA H 1 4.761 0.020 . 1 . . . A 114 GLU HA . 11549 1 346 . 1 1 27 27 GLU HB2 H 1 2.204 0.020 . 2 . . . A 114 GLU HB2 . 11549 1 347 . 1 1 27 27 GLU HB3 H 1 2.204 0.020 . 2 . . . A 114 GLU HB3 . 11549 1 348 . 1 1 27 27 GLU HG2 H 1 1.817 0.000 . 2 . . . A 114 GLU HG2 . 11549 1 349 . 1 1 27 27 GLU HG3 H 1 1.817 0.000 . 2 . . . A 114 GLU HG3 . 11549 1 350 . 1 1 27 27 GLU CA C 13 54.200 0.121 . 1 . . . A 114 GLU CA . 11549 1 351 . 1 1 27 27 GLU CB C 13 31.201 0.498 . 1 . . . A 114 GLU CB . 11549 1 352 . 1 1 27 27 GLU N N 15 114.931 0.000 . 1 . . . A 114 GLU N . 11549 1 353 . 1 1 28 28 PRO HA H 1 4.355 0.016 . 1 . . . A 115 PRO HA . 11549 1 354 . 1 1 28 28 PRO HB2 H 1 2.274 0.000 . 1 . . . A 115 PRO HB2 . 11549 1 355 . 1 1 28 28 PRO HB3 H 1 1.903 0.002 . 1 . . . A 115 PRO HB3 . 11549 1 356 . 1 1 28 28 PRO HG2 H 1 2.022 0.020 . 2 . . . A 115 PRO HG2 . 11549 1 357 . 1 1 28 28 PRO HG3 H 1 2.022 0.020 . 2 . . . A 115 PRO HG3 . 11549 1 358 . 1 1 28 28 PRO HD2 H 1 3.805 0.015 . 1 . . . A 115 PRO HD2 . 11549 1 359 . 1 1 28 28 PRO HD3 H 1 3.630 0.015 . 1 . . . A 115 PRO HD3 . 11549 1 360 . 1 1 28 28 PRO C C 13 176.272 0.000 . 1 . . . A 115 PRO C . 11549 1 361 . 1 1 28 28 PRO CA C 13 62.547 0.594 . 1 . . . A 115 PRO CA . 11549 1 362 . 1 1 28 28 PRO CB C 13 32.970 0.189 . 1 . . . A 115 PRO CB . 11549 1 363 . 1 1 28 28 PRO CG C 13 28.526 0.232 . 1 . . . A 115 PRO CG . 11549 1 364 . 1 1 28 28 PRO CD C 13 50.544 0.227 . 1 . . . A 115 PRO CD . 11549 1 365 . 1 1 29 29 VAL H H 1 8.305 0.009 . 1 . . . A 116 VAL H . 11549 1 366 . 1 1 29 29 VAL HA H 1 3.773 0.011 . 1 . . . A 116 VAL HA . 11549 1 367 . 1 1 29 29 VAL HB H 1 1.874 0.010 . 1 . . . A 116 VAL HB . 11549 1 368 . 1 1 29 29 VAL HG11 H 1 1.080 0.019 . 1 . . . A 116 VAL HG11 . 11549 1 369 . 1 1 29 29 VAL HG12 H 1 1.080 0.019 . 1 . . . A 116 VAL HG12 . 11549 1 370 . 1 1 29 29 VAL HG13 H 1 1.080 0.019 . 1 . . . A 116 VAL HG13 . 11549 1 371 . 1 1 29 29 VAL HG21 H 1 0.925 0.012 . 1 . . . A 116 VAL HG21 . 11549 1 372 . 1 1 29 29 VAL HG22 H 1 0.925 0.012 . 1 . . . A 116 VAL HG22 . 11549 1 373 . 1 1 29 29 VAL HG23 H 1 0.925 0.012 . 1 . . . A 116 VAL HG23 . 11549 1 374 . 1 1 29 29 VAL C C 13 176.081 0.000 . 1 . . . A 116 VAL C . 11549 1 375 . 1 1 29 29 VAL CA C 13 63.360 0.033 . 1 . . . A 116 VAL CA . 11549 1 376 . 1 1 29 29 VAL CB C 13 32.357 0.227 . 1 . . . A 116 VAL CB . 11549 1 377 . 1 1 29 29 VAL CG1 C 13 23.807 0.744 . 1 . . . A 116 VAL CG1 . 11549 1 378 . 1 1 29 29 VAL CG2 C 13 21.423 0.638 . 1 . . . A 116 VAL CG2 . 11549 1 379 . 1 1 29 29 VAL N N 15 121.433 0.000 . 1 . . . A 116 VAL N . 11549 1 380 . 1 1 30 30 THR H H 1 9.028 0.011 . 1 . . . A 117 THR H . 11549 1 381 . 1 1 30 30 THR HA H 1 4.661 0.008 . 1 . . . A 117 THR HA . 11549 1 382 . 1 1 30 30 THR HB H 1 4.792 0.021 . 1 . . . A 117 THR HB . 11549 1 383 . 1 1 30 30 THR HG21 H 1 1.299 0.017 . 1 . . . A 117 THR HG21 . 11549 1 384 . 1 1 30 30 THR HG22 H 1 1.299 0.017 . 1 . . . A 117 THR HG22 . 11549 1 385 . 1 1 30 30 THR HG23 H 1 1.299 0.017 . 1 . . . A 117 THR HG23 . 11549 1 386 . 1 1 30 30 THR C C 13 175.933 0.000 . 1 . . . A 117 THR C . 11549 1 387 . 1 1 30 30 THR CA C 13 60.630 0.057 . 1 . . . A 117 THR CA . 11549 1 388 . 1 1 30 30 THR CB C 13 71.688 0.175 . 1 . . . A 117 THR CB . 11549 1 389 . 1 1 30 30 THR CG2 C 13 22.104 0.065 . 1 . . . A 117 THR CG2 . 11549 1 390 . 1 1 30 30 THR N N 15 120.478 0.000 . 1 . . . A 117 THR N . 11549 1 391 . 1 1 31 31 THR H H 1 8.872 0.008 . 1 . . . A 118 THR H . 11549 1 392 . 1 1 31 31 THR HA H 1 3.933 0.006 . 1 . . . A 118 THR HA . 11549 1 393 . 1 1 31 31 THR HB H 1 4.123 0.009 . 1 . . . A 118 THR HB . 11549 1 394 . 1 1 31 31 THR HG21 H 1 1.303 0.005 . 1 . . . A 118 THR HG21 . 11549 1 395 . 1 1 31 31 THR HG22 H 1 1.303 0.005 . 1 . . . A 118 THR HG22 . 11549 1 396 . 1 1 31 31 THR HG23 H 1 1.303 0.005 . 1 . . . A 118 THR HG23 . 11549 1 397 . 1 1 31 31 THR C C 13 177.178 0.000 . 1 . . . A 118 THR C . 11549 1 398 . 1 1 31 31 THR CA C 13 66.323 0.433 . 1 . . . A 118 THR CA . 11549 1 399 . 1 1 31 31 THR CB C 13 68.582 0.218 . 1 . . . A 118 THR CB . 11549 1 400 . 1 1 31 31 THR CG2 C 13 21.966 0.091 . 1 . . . A 118 THR CG2 . 11549 1 401 . 1 1 31 31 THR N N 15 116.676 0.000 . 1 . . . A 118 THR N . 11549 1 402 . 1 1 32 32 GLU H H 1 8.761 0.005 . 1 . . . A 119 GLU H . 11549 1 403 . 1 1 32 32 GLU HA H 1 4.122 0.005 . 1 . . . A 119 GLU HA . 11549 1 404 . 1 1 32 32 GLU HB2 H 1 2.082 0.012 . 1 . . . A 119 GLU HB2 . 11549 1 405 . 1 1 32 32 GLU HB3 H 1 1.941 0.015 . 1 . . . A 119 GLU HB3 . 11549 1 406 . 1 1 32 32 GLU HG2 H 1 2.382 0.028 . 1 . . . A 119 GLU HG2 . 11549 1 407 . 1 1 32 32 GLU HG3 H 1 2.279 0.006 . 1 . . . A 119 GLU HG3 . 11549 1 408 . 1 1 32 32 GLU C C 13 179.688 0.000 . 1 . . . A 119 GLU C . 11549 1 409 . 1 1 32 32 GLU CA C 13 60.337 0.342 . 1 . . . A 119 GLU CA . 11549 1 410 . 1 1 32 32 GLU CB C 13 29.336 0.235 . 1 . . . A 119 GLU CB . 11549 1 411 . 1 1 32 32 GLU CG C 13 36.845 0.219 . 1 . . . A 119 GLU CG . 11549 1 412 . 1 1 32 32 GLU N N 15 121.283 0.000 . 1 . . . A 119 GLU N . 11549 1 413 . 1 1 33 33 GLU H H 1 8.040 0.007 . 1 . . . A 120 GLU H . 11549 1 414 . 1 1 33 33 GLU HA H 1 3.892 0.021 . 1 . . . A 120 GLU HA . 11549 1 415 . 1 1 33 33 GLU HB2 H 1 2.161 0.020 . 2 . . . A 120 GLU HB2 . 11549 1 416 . 1 1 33 33 GLU HB3 H 1 2.161 0.020 . 2 . . . A 120 GLU HB3 . 11549 1 417 . 1 1 33 33 GLU C C 13 180.306 0.000 . 1 . . . A 120 GLU C . 11549 1 418 . 1 1 33 33 GLU CA C 13 58.800 0.401 . 1 . . . A 120 GLU CA . 11549 1 419 . 1 1 33 33 GLU CB C 13 31.604 0.260 . 1 . . . A 120 GLU CB . 11549 1 420 . 1 1 33 33 GLU CG C 13 37.726 0.000 . 1 . . . A 120 GLU CG . 11549 1 421 . 1 1 33 33 GLU N N 15 120.835 0.000 . 1 . . . A 120 GLU N . 11549 1 422 . 1 1 34 34 LEU H H 1 8.286 0.007 . 1 . . . A 121 LEU H . 11549 1 423 . 1 1 34 34 LEU HA H 1 4.123 0.014 . 1 . . . A 121 LEU HA . 11549 1 424 . 1 1 34 34 LEU HB2 H 1 2.005 0.009 . 1 . . . A 121 LEU HB2 . 11549 1 425 . 1 1 34 34 LEU HB3 H 1 1.416 0.009 . 1 . . . A 121 LEU HB3 . 11549 1 426 . 1 1 34 34 LEU HG H 1 1.804 0.087 . 1 . . . A 121 LEU HG . 11549 1 427 . 1 1 34 34 LEU HD11 H 1 0.954 0.014 . 1 . . . A 121 LEU HD11 . 11549 1 428 . 1 1 34 34 LEU HD12 H 1 0.954 0.014 . 1 . . . A 121 LEU HD12 . 11549 1 429 . 1 1 34 34 LEU HD13 H 1 0.954 0.014 . 1 . . . A 121 LEU HD13 . 11549 1 430 . 1 1 34 34 LEU HD21 H 1 1.053 0.020 . 1 . . . A 121 LEU HD21 . 11549 1 431 . 1 1 34 34 LEU HD22 H 1 1.053 0.020 . 1 . . . A 121 LEU HD22 . 11549 1 432 . 1 1 34 34 LEU HD23 H 1 1.053 0.020 . 1 . . . A 121 LEU HD23 . 11549 1 433 . 1 1 34 34 LEU C C 13 177.830 0.000 . 1 . . . A 121 LEU C . 11549 1 434 . 1 1 34 34 LEU CA C 13 58.014 0.182 . 1 . . . A 121 LEU CA . 11549 1 435 . 1 1 34 34 LEU CB C 13 42.002 0.156 . 1 . . . A 121 LEU CB . 11549 1 436 . 1 1 34 34 LEU CG C 13 27.713 0.639 . 1 . . . A 121 LEU CG . 11549 1 437 . 1 1 34 34 LEU CD1 C 13 25.894 0.048 . 1 . . . A 121 LEU CD1 . 11549 1 438 . 1 1 34 34 LEU CD2 C 13 24.006 0.548 . 1 . . . A 121 LEU CD2 . 11549 1 439 . 1 1 34 34 LEU N N 15 120.172 0.000 . 1 . . . A 121 LEU N . 11549 1 440 . 1 1 35 35 ALA H H 1 8.471 0.015 . 1 . . . A 122 ALA H . 11549 1 441 . 1 1 35 35 ALA HA H 1 4.136 0.019 . 1 . . . A 122 ALA HA . 11549 1 442 . 1 1 35 35 ALA HB1 H 1 1.540 0.008 . 1 . . . A 122 ALA HB1 . 11549 1 443 . 1 1 35 35 ALA HB2 H 1 1.540 0.008 . 1 . . . A 122 ALA HB2 . 11549 1 444 . 1 1 35 35 ALA HB3 H 1 1.540 0.008 . 1 . . . A 122 ALA HB3 . 11549 1 445 . 1 1 35 35 ALA C C 13 181.502 0.000 . 1 . . . A 122 ALA C . 11549 1 446 . 1 1 35 35 ALA CA C 13 55.682 0.126 . 1 . . . A 122 ALA CA . 11549 1 447 . 1 1 35 35 ALA CB C 13 18.129 0.173 . 1 . . . A 122 ALA CB . 11549 1 448 . 1 1 35 35 ALA N N 15 119.795 0.000 . 1 . . . A 122 ALA N . 11549 1 449 . 1 1 36 36 SER H H 1 8.099 0.013 . 1 . . . A 123 SER H . 11549 1 450 . 1 1 36 36 SER HA H 1 4.309 0.008 . 1 . . . A 123 SER HA . 11549 1 451 . 1 1 36 36 SER HB2 H 1 4.022 0.014 . 2 . . . A 123 SER HB2 . 11549 1 452 . 1 1 36 36 SER HB3 H 1 4.022 0.014 . 2 . . . A 123 SER HB3 . 11549 1 453 . 1 1 36 36 SER C C 13 176.711 0.000 . 1 . . . A 123 SER C . 11549 1 454 . 1 1 36 36 SER CA C 13 61.784 0.186 . 1 . . . A 123 SER CA . 11549 1 455 . 1 1 36 36 SER CB C 13 63.106 0.284 . 1 . . . A 123 SER CB . 11549 1 456 . 1 1 36 36 SER N N 15 113.494 0.000 . 1 . . . A 123 SER N . 11549 1 457 . 1 1 37 37 PHE H H 1 7.845 0.004 . 1 . . . A 124 PHE H . 11549 1 458 . 1 1 37 37 PHE HA H 1 4.473 0.013 . 1 . . . A 124 PHE HA . 11549 1 459 . 1 1 37 37 PHE HB2 H 1 3.512 0.007 . 1 . . . A 124 PHE HB2 . 11549 1 460 . 1 1 37 37 PHE HB3 H 1 3.337 0.013 . 1 . . . A 124 PHE HB3 . 11549 1 461 . 1 1 37 37 PHE HD1 H 1 7.348 0.012 . 3 . . . A 124 PHE HD1 . 11549 1 462 . 1 1 37 37 PHE HD2 H 1 7.348 0.012 . 3 . . . A 124 PHE HD2 . 11549 1 463 . 1 1 37 37 PHE HE1 H 1 7.255 0.002 . 3 . . . A 124 PHE HE1 . 11549 1 464 . 1 1 37 37 PHE HE2 H 1 7.255 0.002 . 3 . . . A 124 PHE HE2 . 11549 1 465 . 1 1 37 37 PHE C C 13 176.740 0.000 . 1 . . . A 124 PHE C . 11549 1 466 . 1 1 37 37 PHE CA C 13 61.969 0.118 . 1 . . . A 124 PHE CA . 11549 1 467 . 1 1 37 37 PHE CB C 13 40.272 0.420 . 1 . . . A 124 PHE CB . 11549 1 468 . 1 1 37 37 PHE CD1 C 13 129.576 0.182 . 3 . . . A 124 PHE CD1 . 11549 1 469 . 1 1 37 37 PHE CD2 C 13 129.576 0.182 . 3 . . . A 124 PHE CD2 . 11549 1 470 . 1 1 37 37 PHE CE1 C 13 130.284 0.000 . 3 . . . A 124 PHE CE1 . 11549 1 471 . 1 1 37 37 PHE CE2 C 13 130.284 0.000 . 3 . . . A 124 PHE CE2 . 11549 1 472 . 1 1 37 37 PHE N N 15 125.315 0.000 . 1 . . . A 124 PHE N . 11549 1 473 . 1 1 38 38 ILE H H 1 8.907 0.007 . 1 . . . A 125 ILE H . 11549 1 474 . 1 1 38 38 ILE HA H 1 3.348 0.010 . 1 . . . A 125 ILE HA . 11549 1 475 . 1 1 38 38 ILE HB H 1 1.880 0.010 . 1 . . . A 125 ILE HB . 11549 1 476 . 1 1 38 38 ILE HG12 H 1 2.221 0.013 . 1 . . . A 125 ILE HG12 . 11549 1 477 . 1 1 38 38 ILE HG13 H 1 1.631 0.044 . 1 . . . A 125 ILE HG13 . 11549 1 478 . 1 1 38 38 ILE HG21 H 1 0.715 0.012 . 1 . . . A 125 ILE HG21 . 11549 1 479 . 1 1 38 38 ILE HG22 H 1 0.715 0.012 . 1 . . . A 125 ILE HG22 . 11549 1 480 . 1 1 38 38 ILE HG23 H 1 0.715 0.012 . 1 . . . A 125 ILE HG23 . 11549 1 481 . 1 1 38 38 ILE HD11 H 1 1.177 0.012 . 1 . . . A 125 ILE HD11 . 11549 1 482 . 1 1 38 38 ILE HD12 H 1 1.177 0.012 . 1 . . . A 125 ILE HD12 . 11549 1 483 . 1 1 38 38 ILE HD13 H 1 1.177 0.012 . 1 . . . A 125 ILE HD13 . 11549 1 484 . 1 1 38 38 ILE C C 13 177.674 0.000 . 1 . . . A 125 ILE C . 11549 1 485 . 1 1 38 38 ILE CA C 13 66.006 0.181 . 1 . . . A 125 ILE CA . 11549 1 486 . 1 1 38 38 ILE CB C 13 39.404 0.182 . 1 . . . A 125 ILE CB . 11549 1 487 . 1 1 38 38 ILE CG1 C 13 30.699 0.111 . 1 . . . A 125 ILE CG1 . 11549 1 488 . 1 1 38 38 ILE CG2 C 13 17.528 0.759 . 1 . . . A 125 ILE CG2 . 11549 1 489 . 1 1 38 38 ILE CD1 C 13 15.214 0.591 . 1 . . . A 125 ILE CD1 . 11549 1 490 . 1 1 38 38 ILE N N 15 119.897 0.000 . 1 . . . A 125 ILE N . 11549 1 491 . 1 1 39 39 ALA H H 1 8.149 0.005 . 1 . . . A 126 ALA H . 11549 1 492 . 1 1 39 39 ALA HA H 1 4.063 0.012 . 1 . . . A 126 ALA HA . 11549 1 493 . 1 1 39 39 ALA HB1 H 1 1.489 0.006 . 1 . . . A 126 ALA HB1 . 11549 1 494 . 1 1 39 39 ALA HB2 H 1 1.489 0.006 . 1 . . . A 126 ALA HB2 . 11549 1 495 . 1 1 39 39 ALA HB3 H 1 1.489 0.006 . 1 . . . A 126 ALA HB3 . 11549 1 496 . 1 1 39 39 ALA C C 13 181.148 0.000 . 1 . . . A 126 ALA C . 11549 1 497 . 1 1 39 39 ALA CA C 13 55.304 0.298 . 1 . . . A 126 ALA CA . 11549 1 498 . 1 1 39 39 ALA CB C 13 18.332 0.065 . 1 . . . A 126 ALA CB . 11549 1 499 . 1 1 39 39 ALA N N 15 119.793 0.000 . 1 . . . A 126 ALA N . 11549 1 500 . 1 1 40 40 TYR H H 1 7.750 0.011 . 1 . . . A 127 TYR H . 11549 1 501 . 1 1 40 40 TYR HA H 1 3.905 0.016 . 1 . . . A 127 TYR HA . 11549 1 502 . 1 1 40 40 TYR HB2 H 1 3.013 0.008 . 1 . . . A 127 TYR HB2 . 11549 1 503 . 1 1 40 40 TYR HB3 H 1 2.761 0.010 . 1 . . . A 127 TYR HB3 . 11549 1 504 . 1 1 40 40 TYR HD1 H 1 5.824 0.013 . 3 . . . A 127 TYR HD1 . 11549 1 505 . 1 1 40 40 TYR HD2 H 1 5.824 0.013 . 3 . . . A 127 TYR HD2 . 11549 1 506 . 1 1 40 40 TYR HE1 H 1 5.757 0.014 . 3 . . . A 127 TYR HE1 . 11549 1 507 . 1 1 40 40 TYR HE2 H 1 5.757 0.014 . 3 . . . A 127 TYR HE2 . 11549 1 508 . 1 1 40 40 TYR C C 13 177.872 0.000 . 1 . . . A 127 TYR C . 11549 1 509 . 1 1 40 40 TYR CA C 13 61.499 0.372 . 1 . . . A 127 TYR CA . 11549 1 510 . 1 1 40 40 TYR CB C 13 38.340 0.082 . 1 . . . A 127 TYR CB . 11549 1 511 . 1 1 40 40 TYR CD1 C 13 131.527 0.281 . 3 . . . A 127 TYR CD1 . 11549 1 512 . 1 1 40 40 TYR CD2 C 13 131.527 0.281 . 3 . . . A 127 TYR CD2 . 11549 1 513 . 1 1 40 40 TYR CE1 C 13 116.893 0.190 . 3 . . . A 127 TYR CE1 . 11549 1 514 . 1 1 40 40 TYR CE2 C 13 116.893 0.190 . 3 . . . A 127 TYR CE2 . 11549 1 515 . 1 1 40 40 TYR N N 15 118.247 0.000 . 1 . . . A 127 TYR N . 11549 1 516 . 1 1 41 41 TRP H H 1 7.996 0.008 . 1 . . . A 128 TRP H . 11549 1 517 . 1 1 41 41 TRP HA H 1 4.150 0.016 . 1 . . . A 128 TRP HA . 11549 1 518 . 1 1 41 41 TRP HB2 H 1 3.321 0.014 . 1 . . . A 128 TRP HB2 . 11549 1 519 . 1 1 41 41 TRP HB3 H 1 2.410 0.014 . 1 . . . A 128 TRP HB3 . 11549 1 520 . 1 1 41 41 TRP HD1 H 1 6.084 0.012 . 1 . . . A 128 TRP HD1 . 11549 1 521 . 1 1 41 41 TRP HE1 H 1 12.187 0.010 . 1 . . . A 128 TRP HE1 . 11549 1 522 . 1 1 41 41 TRP HE3 H 1 7.502 0.065 . 1 . . . A 128 TRP HE3 . 11549 1 523 . 1 1 41 41 TRP HZ2 H 1 7.872 0.001 . 1 . . . A 128 TRP HZ2 . 11549 1 524 . 1 1 41 41 TRP HZ3 H 1 7.687 0.009 . 1 . . . A 128 TRP HZ3 . 11549 1 525 . 1 1 41 41 TRP HH2 H 1 7.164 0.048 . 1 . . . A 128 TRP HH2 . 11549 1 526 . 1 1 41 41 TRP C C 13 180.602 0.000 . 1 . . . A 128 TRP C . 11549 1 527 . 1 1 41 41 TRP CA C 13 60.369 0.324 . 1 . . . A 128 TRP CA . 11549 1 528 . 1 1 41 41 TRP CB C 13 29.659 0.129 . 1 . . . A 128 TRP CB . 11549 1 529 . 1 1 41 41 TRP CD1 C 13 127.649 0.306 . 1 . . . A 128 TRP CD1 . 11549 1 530 . 1 1 41 41 TRP CE3 C 13 118.894 0.000 . 1 . . . A 128 TRP CE3 . 11549 1 531 . 1 1 41 41 TRP CZ2 C 13 115.693 0.126 . 1 . . . A 128 TRP CZ2 . 11549 1 532 . 1 1 41 41 TRP CZ3 C 13 118.291 0.181 . 1 . . . A 128 TRP CZ3 . 11549 1 533 . 1 1 41 41 TRP CH2 C 13 118.813 0.000 . 1 . . . A 128 TRP CH2 . 11549 1 534 . 1 1 41 41 TRP N N 15 118.605 0.000 . 1 . . . A 128 TRP N . 11549 1 535 . 1 1 41 41 TRP NE1 N 15 131.751 0.000 . 1 . . . A 128 TRP NE1 . 11549 1 536 . 1 1 42 42 GLN H H 1 9.361 0.007 . 1 . . . A 129 GLN H . 11549 1 537 . 1 1 42 42 GLN HA H 1 4.038 0.014 . 1 . . . A 129 GLN HA . 11549 1 538 . 1 1 42 42 GLN HB2 H 1 1.944 0.006 . 2 . . . A 129 GLN HB2 . 11549 1 539 . 1 1 42 42 GLN HB3 H 1 1.944 0.006 . 2 . . . A 129 GLN HB3 . 11549 1 540 . 1 1 42 42 GLN HG2 H 1 2.380 0.012 . 1 . . . A 129 GLN HG2 . 11549 1 541 . 1 1 42 42 GLN HG3 H 1 2.116 0.012 . 1 . . . A 129 GLN HG3 . 11549 1 542 . 1 1 42 42 GLN HE21 H 1 7.242 0.007 . 1 . . . A 129 GLN HE21 . 11549 1 543 . 1 1 42 42 GLN HE22 H 1 6.637 0.005 . 1 . . . A 129 GLN HE22 . 11549 1 544 . 1 1 42 42 GLN C C 13 178.212 0.000 . 1 . . . A 129 GLN C . 11549 1 545 . 1 1 42 42 GLN CA C 13 59.666 0.053 . 1 . . . A 129 GLN CA . 11549 1 546 . 1 1 42 42 GLN CB C 13 29.690 0.101 . 1 . . . A 129 GLN CB . 11549 1 547 . 1 1 42 42 GLN CG C 13 34.216 0.319 . 1 . . . A 129 GLN CG . 11549 1 548 . 1 1 42 42 GLN N N 15 124.166 0.000 . 1 . . . A 129 GLN N . 11549 1 549 . 1 1 42 42 GLN NE2 N 15 108.636 0.000 . 1 . . . A 129 GLN NE2 . 11549 1 550 . 1 1 43 43 ALA H H 1 6.994 0.009 . 1 . . . A 130 ALA H . 11549 1 551 . 1 1 43 43 ALA HA H 1 4.066 0.006 . 1 . . . A 130 ALA HA . 11549 1 552 . 1 1 43 43 ALA HB1 H 1 1.361 0.007 . 1 . . . A 130 ALA HB1 . 11549 1 553 . 1 1 43 43 ALA HB2 H 1 1.361 0.007 . 1 . . . A 130 ALA HB2 . 11549 1 554 . 1 1 43 43 ALA HB3 H 1 1.361 0.007 . 1 . . . A 130 ALA HB3 . 11549 1 555 . 1 1 43 43 ALA C C 13 179.529 0.000 . 1 . . . A 130 ALA C . 11549 1 556 . 1 1 43 43 ALA CA C 13 54.586 0.127 . 1 . . . A 130 ALA CA . 11549 1 557 . 1 1 43 43 ALA CB C 13 18.238 0.148 . 1 . . . A 130 ALA CB . 11549 1 558 . 1 1 43 43 ALA N N 15 120.667 0.000 . 1 . . . A 130 ALA N . 11549 1 559 . 1 1 44 44 GLU H H 1 7.430 0.006 . 1 . . . A 131 GLU H . 11549 1 560 . 1 1 44 44 GLU HA H 1 3.897 0.004 . 1 . . . A 131 GLU HA . 11549 1 561 . 1 1 44 44 GLU HB2 H 1 2.138 0.008 . 1 . . . A 131 GLU HB2 . 11549 1 562 . 1 1 44 44 GLU HB3 H 1 1.919 0.006 . 1 . . . A 131 GLU HB3 . 11549 1 563 . 1 1 44 44 GLU HG2 H 1 1.520 0.015 . 2 . . . A 131 GLU HG2 . 11549 1 564 . 1 1 44 44 GLU HG3 H 1 1.520 0.015 . 2 . . . A 131 GLU HG3 . 11549 1 565 . 1 1 44 44 GLU C C 13 179.384 0.000 . 1 . . . A 131 GLU C . 11549 1 566 . 1 1 44 44 GLU CA C 13 57.957 0.248 . 1 . . . A 131 GLU CA . 11549 1 567 . 1 1 44 44 GLU CB C 13 31.660 0.303 . 1 . . . A 131 GLU CB . 11549 1 568 . 1 1 44 44 GLU CG C 13 35.738 0.082 . 1 . . . A 131 GLU CG . 11549 1 569 . 1 1 44 44 GLU N N 15 115.912 0.000 . 1 . . . A 131 GLU N . 11549 1 570 . 1 1 45 45 GLY H H 1 7.584 0.006 . 1 . . . A 132 GLY H . 11549 1 571 . 1 1 45 45 GLY HA2 H 1 3.949 0.045 . 2 . . . A 132 GLY HA2 . 11549 1 572 . 1 1 45 45 GLY HA3 H 1 3.949 0.045 . 2 . . . A 132 GLY HA3 . 11549 1 573 . 1 1 45 45 GLY C C 13 174.065 0.000 . 1 . . . A 132 GLY C . 11549 1 574 . 1 1 45 45 GLY CA C 13 46.277 0.185 . 1 . . . A 132 GLY CA . 11549 1 575 . 1 1 45 45 GLY N N 15 103.101 0.000 . 1 . . . A 132 GLY N . 11549 1 576 . 1 1 46 46 LYS H H 1 6.495 0.009 . 1 . . . A 133 LYS H . 11549 1 577 . 1 1 46 46 LYS HA H 1 4.284 0.054 . 1 . . . A 133 LYS HA . 11549 1 578 . 1 1 46 46 LYS HB2 H 1 1.746 0.006 . 2 . . . A 133 LYS HB2 . 11549 1 579 . 1 1 46 46 LYS HB3 H 1 1.746 0.006 . 2 . . . A 133 LYS HB3 . 11549 1 580 . 1 1 46 46 LYS HG2 H 1 1.469 0.008 . 2 . . . A 133 LYS HG2 . 11549 1 581 . 1 1 46 46 LYS HG3 H 1 1.469 0.008 . 2 . . . A 133 LYS HG3 . 11549 1 582 . 1 1 46 46 LYS HD2 H 1 1.757 0.009 . 2 . . . A 133 LYS HD2 . 11549 1 583 . 1 1 46 46 LYS HD3 H 1 1.757 0.009 . 2 . . . A 133 LYS HD3 . 11549 1 584 . 1 1 46 46 LYS HE2 H 1 3.061 0.011 . 2 . . . A 133 LYS HE2 . 11549 1 585 . 1 1 46 46 LYS HE3 H 1 3.061 0.011 . 2 . . . A 133 LYS HE3 . 11549 1 586 . 1 1 46 46 LYS C C 13 174.604 0.000 . 1 . . . A 133 LYS C . 11549 1 587 . 1 1 46 46 LYS CA C 13 55.731 0.280 . 1 . . . A 133 LYS CA . 11549 1 588 . 1 1 46 46 LYS CB C 13 34.637 0.107 . 1 . . . A 133 LYS CB . 11549 1 589 . 1 1 46 46 LYS CG C 13 25.736 0.115 . 1 . . . A 133 LYS CG . 11549 1 590 . 1 1 46 46 LYS CD C 13 28.470 0.128 . 1 . . . A 133 LYS CD . 11549 1 591 . 1 1 46 46 LYS CE C 13 42.319 0.117 . 1 . . . A 133 LYS CE . 11549 1 592 . 1 1 46 46 LYS N N 15 116.032 0.000 . 1 . . . A 133 LYS N . 11549 1 593 . 1 1 47 47 VAL H H 1 7.445 0.008 . 1 . . . A 134 VAL H . 11549 1 594 . 1 1 47 47 VAL HA H 1 4.228 0.019 . 1 . . . A 134 VAL HA . 11549 1 595 . 1 1 47 47 VAL HB H 1 1.465 0.025 . 1 . . . A 134 VAL HB . 11549 1 596 . 1 1 47 47 VAL HG11 H 1 0.724 0.013 . 1 . . . A 134 VAL HG11 . 11549 1 597 . 1 1 47 47 VAL HG12 H 1 0.724 0.013 . 1 . . . A 134 VAL HG12 . 11549 1 598 . 1 1 47 47 VAL HG13 H 1 0.724 0.013 . 1 . . . A 134 VAL HG13 . 11549 1 599 . 1 1 47 47 VAL HG21 H 1 0.642 0.021 . 1 . . . A 134 VAL HG21 . 11549 1 600 . 1 1 47 47 VAL HG22 H 1 0.642 0.021 . 1 . . . A 134 VAL HG22 . 11549 1 601 . 1 1 47 47 VAL HG23 H 1 0.642 0.021 . 1 . . . A 134 VAL HG23 . 11549 1 602 . 1 1 47 47 VAL C C 13 173.263 0.000 . 1 . . . A 134 VAL C . 11549 1 603 . 1 1 47 47 VAL CA C 13 60.584 0.168 . 1 . . . A 134 VAL CA . 11549 1 604 . 1 1 47 47 VAL CB C 13 33.710 0.644 . 1 . . . A 134 VAL CB . 11549 1 605 . 1 1 47 47 VAL CG1 C 13 19.745 0.146 . 1 . . . A 134 VAL CG1 . 11549 1 606 . 1 1 47 47 VAL CG2 C 13 21.352 0.699 . 1 . . . A 134 VAL CG2 . 11549 1 607 . 1 1 47 47 VAL N N 15 116.000 0.000 . 1 . . . A 134 VAL N . 11549 1 608 . 1 1 48 48 PHE H H 1 7.213 0.008 . 1 . . . A 135 PHE H . 11549 1 609 . 1 1 48 48 PHE HA H 1 4.490 0.006 . 1 . . . A 135 PHE HA . 11549 1 610 . 1 1 48 48 PHE HB2 H 1 2.449 0.016 . 1 . . . A 135 PHE HB2 . 11549 1 611 . 1 1 48 48 PHE HB3 H 1 -0.103 0.007 . 1 . . . A 135 PHE HB3 . 11549 1 612 . 1 1 48 48 PHE HD1 H 1 5.505 0.010 . 3 . . . A 135 PHE HD1 . 11549 1 613 . 1 1 48 48 PHE HD2 H 1 5.505 0.010 . 3 . . . A 135 PHE HD2 . 11549 1 614 . 1 1 48 48 PHE HE1 H 1 6.524 0.016 . 3 . . . A 135 PHE HE1 . 11549 1 615 . 1 1 48 48 PHE HE2 H 1 6.524 0.016 . 3 . . . A 135 PHE HE2 . 11549 1 616 . 1 1 48 48 PHE HZ H 1 6.888 0.011 . 1 . . . A 135 PHE HZ . 11549 1 617 . 1 1 48 48 PHE C C 13 175.135 0.000 . 1 . . . A 135 PHE C . 11549 1 618 . 1 1 48 48 PHE CA C 13 56.204 0.142 . 1 . . . A 135 PHE CA . 11549 1 619 . 1 1 48 48 PHE CB C 13 42.189 0.126 . 1 . . . A 135 PHE CB . 11549 1 620 . 1 1 48 48 PHE CD1 C 13 130.590 0.377 . 3 . . . A 135 PHE CD1 . 11549 1 621 . 1 1 48 48 PHE CD2 C 13 130.590 0.377 . 3 . . . A 135 PHE CD2 . 11549 1 622 . 1 1 48 48 PHE CE1 C 13 128.975 0.408 . 3 . . . A 135 PHE CE1 . 11549 1 623 . 1 1 48 48 PHE CE2 C 13 128.975 0.408 . 3 . . . A 135 PHE CE2 . 11549 1 624 . 1 1 48 48 PHE CZ C 13 126.967 0.185 . 1 . . . A 135 PHE CZ . 11549 1 625 . 1 1 48 48 PHE N N 15 118.044 0.000 . 1 . . . A 135 PHE N . 11549 1 626 . 1 1 49 49 HIS H H 1 8.544 0.010 . 1 . . . A 136 HIS H . 11549 1 627 . 1 1 49 49 HIS HA H 1 4.676 0.024 . 1 . . . A 136 HIS HA . 11549 1 628 . 1 1 49 49 HIS HB2 H 1 3.492 0.022 . 1 . . . A 136 HIS HB2 . 11549 1 629 . 1 1 49 49 HIS HB3 H 1 3.043 0.011 . 1 . . . A 136 HIS HB3 . 11549 1 630 . 1 1 49 49 HIS HD2 H 1 7.174 0.012 . 1 . . . A 136 HIS HD2 . 11549 1 631 . 1 1 49 49 HIS C C 13 176.575 0.000 . 1 . . . A 136 HIS C . 11549 1 632 . 1 1 49 49 HIS CA C 13 56.740 0.097 . 1 . . . A 136 HIS CA . 11549 1 633 . 1 1 49 49 HIS CB C 13 32.009 0.109 . 1 . . . A 136 HIS CB . 11549 1 634 . 1 1 49 49 HIS CD2 C 13 119.355 0.215 . 1 . . . A 136 HIS CD2 . 11549 1 635 . 1 1 49 49 HIS N N 15 117.412 0.000 . 1 . . . A 136 HIS N . 11549 1 636 . 1 1 50 50 HIS H H 1 9.751 0.011 . 1 . . . A 137 HIS H . 11549 1 637 . 1 1 50 50 HIS HA H 1 5.000 0.000 . 1 . . . A 137 HIS HA . 11549 1 638 . 1 1 50 50 HIS HB2 H 1 3.887 0.005 . 1 . . . A 137 HIS HB2 . 11549 1 639 . 1 1 50 50 HIS HB3 H 1 3.624 0.009 . 1 . . . A 137 HIS HB3 . 11549 1 640 . 1 1 50 50 HIS HD2 H 1 7.401 0.014 . 1 . . . A 137 HIS HD2 . 11549 1 641 . 1 1 50 50 HIS C C 13 178.433 0.000 . 1 . . . A 137 HIS C . 11549 1 642 . 1 1 50 50 HIS CA C 13 61.865 0.195 . 1 . . . A 137 HIS CA . 11549 1 643 . 1 1 50 50 HIS CB C 13 33.093 0.273 . 1 . . . A 137 HIS CB . 11549 1 644 . 1 1 50 50 HIS CD2 C 13 118.225 0.170 . 1 . . . A 137 HIS CD2 . 11549 1 645 . 1 1 50 50 HIS N N 15 124.576 0.000 . 1 . . . A 137 HIS N . 11549 1 646 . 1 1 51 51 VAL H H 1 9.590 0.007 . 1 . . . A 138 VAL H . 11549 1 647 . 1 1 51 51 VAL HA H 1 3.795 0.009 . 1 . . . A 138 VAL HA . 11549 1 648 . 1 1 51 51 VAL HB H 1 2.236 0.010 . 1 . . . A 138 VAL HB . 11549 1 649 . 1 1 51 51 VAL HG11 H 1 1.231 0.017 . 1 . . . A 138 VAL HG11 . 11549 1 650 . 1 1 51 51 VAL HG12 H 1 1.231 0.017 . 1 . . . A 138 VAL HG12 . 11549 1 651 . 1 1 51 51 VAL HG13 H 1 1.231 0.017 . 1 . . . A 138 VAL HG13 . 11549 1 652 . 1 1 51 51 VAL HG21 H 1 0.912 0.022 . 1 . . . A 138 VAL HG21 . 11549 1 653 . 1 1 51 51 VAL HG22 H 1 0.912 0.022 . 1 . . . A 138 VAL HG22 . 11549 1 654 . 1 1 51 51 VAL HG23 H 1 0.912 0.022 . 1 . . . A 138 VAL HG23 . 11549 1 655 . 1 1 51 51 VAL C C 13 177.062 0.000 . 1 . . . A 138 VAL C . 11549 1 656 . 1 1 51 51 VAL CA C 13 67.627 0.359 . 1 . . . A 138 VAL CA . 11549 1 657 . 1 1 51 51 VAL CB C 13 31.841 0.259 . 1 . . . A 138 VAL CB . 11549 1 658 . 1 1 51 51 VAL CG1 C 13 23.179 0.120 . 1 . . . A 138 VAL CG1 . 11549 1 659 . 1 1 51 51 VAL CG2 C 13 20.615 0.220 . 1 . . . A 138 VAL CG2 . 11549 1 660 . 1 1 51 51 VAL N N 15 117.911 0.000 . 1 . . . A 138 VAL N . 11549 1 661 . 1 1 52 52 GLN H H 1 6.743 0.006 . 1 . . . A 139 GLN H . 11549 1 662 . 1 1 52 52 GLN HA H 1 3.856 0.020 . 1 . . . A 139 GLN HA . 11549 1 663 . 1 1 52 52 GLN HB2 H 1 1.294 0.012 . 2 . . . A 139 GLN HB2 . 11549 1 664 . 1 1 52 52 GLN HB3 H 1 1.294 0.012 . 2 . . . A 139 GLN HB3 . 11549 1 665 . 1 1 52 52 GLN HG2 H 1 2.129 0.021 . 2 . . . A 139 GLN HG2 . 11549 1 666 . 1 1 52 52 GLN HG3 H 1 2.129 0.021 . 2 . . . A 139 GLN HG3 . 11549 1 667 . 1 1 52 52 GLN HE21 H 1 7.579 0.000 . 1 . . . A 139 GLN HE21 . 11549 1 668 . 1 1 52 52 GLN HE22 H 1 6.845 0.008 . 1 . . . A 139 GLN HE22 . 11549 1 669 . 1 1 52 52 GLN C C 13 179.371 0.000 . 1 . . . A 139 GLN C . 11549 1 670 . 1 1 52 52 GLN CA C 13 58.280 0.074 . 1 . . . A 139 GLN CA . 11549 1 671 . 1 1 52 52 GLN CB C 13 28.560 0.249 . 1 . . . A 139 GLN CB . 11549 1 672 . 1 1 52 52 GLN CG C 13 34.993 0.770 . 1 . . . A 139 GLN CG . 11549 1 673 . 1 1 52 52 GLN N N 15 119.173 0.000 . 1 . . . A 139 GLN N . 11549 1 674 . 1 1 52 52 GLN NE2 N 15 112.882 0.000 . 1 . . . A 139 GLN NE2 . 11549 1 675 . 1 1 53 53 TRP H H 1 8.409 0.009 . 1 . . . A 140 TRP H . 11549 1 676 . 1 1 53 53 TRP HA H 1 4.169 0.026 . 1 . . . A 140 TRP HA . 11549 1 677 . 1 1 53 53 TRP HB2 H 1 3.306 0.017 . 1 . . . A 140 TRP HB2 . 11549 1 678 . 1 1 53 53 TRP HB3 H 1 2.438 0.018 . 1 . . . A 140 TRP HB3 . 11549 1 679 . 1 1 53 53 TRP HD1 H 1 5.813 0.013 . 1 . . . A 140 TRP HD1 . 11549 1 680 . 1 1 53 53 TRP HE1 H 1 10.128 0.041 . 1 . . . A 140 TRP HE1 . 11549 1 681 . 1 1 53 53 TRP HE3 H 1 7.620 0.072 . 1 . . . A 140 TRP HE3 . 11549 1 682 . 1 1 53 53 TRP HZ2 H 1 7.620 0.008 . 1 . . . A 140 TRP HZ2 . 11549 1 683 . 1 1 53 53 TRP HZ3 H 1 7.178 0.021 . 1 . . . A 140 TRP HZ3 . 11549 1 684 . 1 1 53 53 TRP HH2 H 1 7.365 0.013 . 1 . . . A 140 TRP HH2 . 11549 1 685 . 1 1 53 53 TRP C C 13 178.914 0.000 . 1 . . . A 140 TRP C . 11549 1 686 . 1 1 53 53 TRP CA C 13 59.970 0.077 . 1 . . . A 140 TRP CA . 11549 1 687 . 1 1 53 53 TRP CB C 13 30.659 0.144 . 1 . . . A 140 TRP CB . 11549 1 688 . 1 1 53 53 TRP CD1 C 13 128.196 0.293 . 1 . . . A 140 TRP CD1 . 11549 1 689 . 1 1 53 53 TRP CE3 C 13 118.715 0.260 . 1 . . . A 140 TRP CE3 . 11549 1 690 . 1 1 53 53 TRP CZ2 C 13 114.227 0.351 . 1 . . . A 140 TRP CZ2 . 11549 1 691 . 1 1 53 53 TRP CZ3 C 13 120.526 0.269 . 1 . . . A 140 TRP CZ3 . 11549 1 692 . 1 1 53 53 TRP CH2 C 13 123.236 0.207 . 1 . . . A 140 TRP CH2 . 11549 1 693 . 1 1 53 53 TRP N N 15 120.115 0.000 . 1 . . . A 140 TRP N . 11549 1 694 . 1 1 53 53 TRP NE1 N 15 130.056 0.000 . 1 . . . A 140 TRP NE1 . 11549 1 695 . 1 1 54 54 GLN H H 1 8.236 0.009 . 1 . . . A 141 GLN H . 11549 1 696 . 1 1 54 54 GLN HA H 1 4.160 0.016 . 1 . . . A 141 GLN HA . 11549 1 697 . 1 1 54 54 GLN HB2 H 1 2.683 0.020 . 2 . . . A 141 GLN HB2 . 11549 1 698 . 1 1 54 54 GLN HB3 H 1 2.683 0.020 . 2 . . . A 141 GLN HB3 . 11549 1 699 . 1 1 54 54 GLN HG2 H 1 2.758 0.039 . 2 . . . A 141 GLN HG2 . 11549 1 700 . 1 1 54 54 GLN HG3 H 1 2.758 0.039 . 2 . . . A 141 GLN HG3 . 11549 1 701 . 1 1 54 54 GLN HE21 H 1 6.896 0.005 . 1 . . . A 141 GLN HE21 . 11549 1 702 . 1 1 54 54 GLN HE22 H 1 5.423 0.014 . 1 . . . A 141 GLN HE22 . 11549 1 703 . 1 1 54 54 GLN C C 13 177.640 0.000 . 1 . . . A 141 GLN C . 11549 1 704 . 1 1 54 54 GLN CA C 13 61.611 0.040 . 1 . . . A 141 GLN CA . 11549 1 705 . 1 1 54 54 GLN CB C 13 31.944 0.161 . 1 . . . A 141 GLN CB . 11549 1 706 . 1 1 54 54 GLN CG C 13 38.032 0.177 . 1 . . . A 141 GLN CG . 11549 1 707 . 1 1 54 54 GLN N N 15 115.613 0.000 . 1 . . . A 141 GLN N . 11549 1 708 . 1 1 54 54 GLN NE2 N 15 106.571 0.000 . 1 . . . A 141 GLN NE2 . 11549 1 709 . 1 1 55 55 GLN H H 1 8.010 0.006 . 1 . . . A 142 GLN H . 11549 1 710 . 1 1 55 55 GLN HA H 1 3.532 0.025 . 1 . . . A 142 GLN HA . 11549 1 711 . 1 1 55 55 GLN HB2 H 1 1.640 0.006 . 1 . . . A 142 GLN HB2 . 11549 1 712 . 1 1 55 55 GLN HB3 H 1 1.429 0.005 . 1 . . . A 142 GLN HB3 . 11549 1 713 . 1 1 55 55 GLN HG2 H 1 1.185 0.008 . 1 . . . A 142 GLN HG2 . 11549 1 714 . 1 1 55 55 GLN HG3 H 1 0.434 0.010 . 1 . . . A 142 GLN HG3 . 11549 1 715 . 1 1 55 55 GLN HE21 H 1 6.367 0.001 . 1 . . . A 142 GLN HE21 . 11549 1 716 . 1 1 55 55 GLN C C 13 179.085 0.000 . 1 . . . A 142 GLN C . 11549 1 717 . 1 1 55 55 GLN CA C 13 59.498 0.077 . 1 . . . A 142 GLN CA . 11549 1 718 . 1 1 55 55 GLN CB C 13 27.340 0.263 . 1 . . . A 142 GLN CB . 11549 1 719 . 1 1 55 55 GLN CG C 13 32.621 0.662 . 1 . . . A 142 GLN CG . 11549 1 720 . 1 1 55 55 GLN N N 15 121.476 0.000 . 1 . . . A 142 GLN N . 11549 1 721 . 1 1 55 55 GLN NE2 N 15 107.323 0.000 . 1 . . . A 142 GLN NE2 . 11549 1 722 . 1 1 56 56 LYS H H 1 8.159 0.004 . 1 . . . A 143 LYS H . 11549 1 723 . 1 1 56 56 LYS HA H 1 3.948 0.011 . 1 . . . A 143 LYS HA . 11549 1 724 . 1 1 56 56 LYS HB2 H 1 1.475 0.024 . 2 . . . A 143 LYS HB2 . 11549 1 725 . 1 1 56 56 LYS HB3 H 1 1.475 0.024 . 2 . . . A 143 LYS HB3 . 11549 1 726 . 1 1 56 56 LYS HG2 H 1 1.080 0.008 . 2 . . . A 143 LYS HG2 . 11549 1 727 . 1 1 56 56 LYS HG3 H 1 1.080 0.008 . 2 . . . A 143 LYS HG3 . 11549 1 728 . 1 1 56 56 LYS HD2 H 1 0.591 0.012 . 1 . . . A 143 LYS HD2 . 11549 1 729 . 1 1 56 56 LYS HD3 H 1 0.286 0.002 . 1 . . . A 143 LYS HD3 . 11549 1 730 . 1 1 56 56 LYS HE2 H 1 1.373 0.008 . 1 . . . A 143 LYS HE2 . 11549 1 731 . 1 1 56 56 LYS HE3 H 1 1.304 0.041 . 1 . . . A 143 LYS HE3 . 11549 1 732 . 1 1 56 56 LYS C C 13 179.991 0.000 . 1 . . . A 143 LYS C . 11549 1 733 . 1 1 56 56 LYS CA C 13 59.723 0.027 . 1 . . . A 143 LYS CA . 11549 1 734 . 1 1 56 56 LYS CB C 13 32.347 0.343 . 1 . . . A 143 LYS CB . 11549 1 735 . 1 1 56 56 LYS CG C 13 24.622 0.050 . 1 . . . A 143 LYS CG . 11549 1 736 . 1 1 56 56 LYS CD C 13 28.549 0.466 . 1 . . . A 143 LYS CD . 11549 1 737 . 1 1 56 56 LYS CE C 13 40.583 0.019 . 1 . . . A 143 LYS CE . 11549 1 738 . 1 1 56 56 LYS N N 15 119.988 0.000 . 1 . . . A 143 LYS N . 11549 1 739 . 1 1 57 57 LEU H H 1 8.496 0.010 . 1 . . . A 144 LEU H . 11549 1 740 . 1 1 57 57 LEU HA H 1 3.656 0.007 . 1 . . . A 144 LEU HA . 11549 1 741 . 1 1 57 57 LEU HB2 H 1 2.023 0.013 . 1 . . . A 144 LEU HB2 . 11549 1 742 . 1 1 57 57 LEU HB3 H 1 0.619 0.012 . 1 . . . A 144 LEU HB3 . 11549 1 743 . 1 1 57 57 LEU HG H 1 1.251 0.006 . 1 . . . A 144 LEU HG . 11549 1 744 . 1 1 57 57 LEU HD11 H 1 0.198 0.012 . 1 . . . A 144 LEU HD11 . 11549 1 745 . 1 1 57 57 LEU HD12 H 1 0.198 0.012 . 1 . . . A 144 LEU HD12 . 11549 1 746 . 1 1 57 57 LEU HD13 H 1 0.198 0.012 . 1 . . . A 144 LEU HD13 . 11549 1 747 . 1 1 57 57 LEU HD21 H 1 0.252 0.012 . 1 . . . A 144 LEU HD21 . 11549 1 748 . 1 1 57 57 LEU HD22 H 1 0.252 0.012 . 1 . . . A 144 LEU HD22 . 11549 1 749 . 1 1 57 57 LEU HD23 H 1 0.252 0.012 . 1 . . . A 144 LEU HD23 . 11549 1 750 . 1 1 57 57 LEU C C 13 177.986 0.000 . 1 . . . A 144 LEU C . 11549 1 751 . 1 1 57 57 LEU CA C 13 58.263 0.063 . 1 . . . A 144 LEU CA . 11549 1 752 . 1 1 57 57 LEU CB C 13 40.525 0.244 . 1 . . . A 144 LEU CB . 11549 1 753 . 1 1 57 57 LEU CG C 13 26.455 0.196 . 1 . . . A 144 LEU CG . 11549 1 754 . 1 1 57 57 LEU CD1 C 13 21.564 0.505 . 1 . . . A 144 LEU CD1 . 11549 1 755 . 1 1 57 57 LEU CD2 C 13 26.304 0.728 . 1 . . . A 144 LEU CD2 . 11549 1 756 . 1 1 57 57 LEU N N 15 123.944 0.000 . 1 . . . A 144 LEU N . 11549 1 757 . 1 1 58 58 ALA H H 1 8.809 0.010 . 1 . . . A 145 ALA H . 11549 1 758 . 1 1 58 58 ALA HA H 1 4.132 0.008 . 1 . . . A 145 ALA HA . 11549 1 759 . 1 1 58 58 ALA HB1 H 1 1.719 0.011 . 1 . . . A 145 ALA HB1 . 11549 1 760 . 1 1 58 58 ALA HB2 H 1 1.719 0.011 . 1 . . . A 145 ALA HB2 . 11549 1 761 . 1 1 58 58 ALA HB3 H 1 1.719 0.011 . 1 . . . A 145 ALA HB3 . 11549 1 762 . 1 1 58 58 ALA C C 13 178.537 0.000 . 1 . . . A 145 ALA C . 11549 1 763 . 1 1 58 58 ALA CA C 13 56.485 0.055 . 1 . . . A 145 ALA CA . 11549 1 764 . 1 1 58 58 ALA CB C 13 17.429 0.738 . 1 . . . A 145 ALA CB . 11549 1 765 . 1 1 58 58 ALA N N 15 120.991 0.000 . 1 . . . A 145 ALA N . 11549 1 766 . 1 1 59 59 ARG H H 1 7.949 0.008 . 1 . . . A 146 ARG H . 11549 1 767 . 1 1 59 59 ARG HA H 1 4.084 0.010 . 1 . . . A 146 ARG HA . 11549 1 768 . 1 1 59 59 ARG HB2 H 1 1.975 0.006 . 2 . . . A 146 ARG HB2 . 11549 1 769 . 1 1 59 59 ARG HB3 H 1 1.975 0.006 . 2 . . . A 146 ARG HB3 . 11549 1 770 . 1 1 59 59 ARG HG2 H 1 1.718 0.017 . 2 . . . A 146 ARG HG2 . 11549 1 771 . 1 1 59 59 ARG HG3 H 1 1.718 0.017 . 2 . . . A 146 ARG HG3 . 11549 1 772 . 1 1 59 59 ARG HD2 H 1 3.214 0.011 . 2 . . . A 146 ARG HD2 . 11549 1 773 . 1 1 59 59 ARG HD3 H 1 3.214 0.011 . 2 . . . A 146 ARG HD3 . 11549 1 774 . 1 1 59 59 ARG C C 13 178.301 0.000 . 1 . . . A 146 ARG C . 11549 1 775 . 1 1 59 59 ARG CA C 13 59.120 0.128 . 1 . . . A 146 ARG CA . 11549 1 776 . 1 1 59 59 ARG CB C 13 30.258 0.290 . 1 . . . A 146 ARG CB . 11549 1 777 . 1 1 59 59 ARG CG C 13 27.673 0.627 . 1 . . . A 146 ARG CG . 11549 1 778 . 1 1 59 59 ARG CD C 13 43.090 0.227 . 1 . . . A 146 ARG CD . 11549 1 779 . 1 1 59 59 ARG N N 15 115.759 0.000 . 1 . . . A 146 ARG N . 11549 1 780 . 1 1 60 60 SER H H 1 8.303 0.004 . 1 . . . A 147 SER H . 11549 1 781 . 1 1 60 60 SER HA H 1 4.317 0.007 . 1 . . . A 147 SER HA . 11549 1 782 . 1 1 60 60 SER HB2 H 1 4.358 0.000 . 2 . . . A 147 SER HB2 . 11549 1 783 . 1 1 60 60 SER HB3 H 1 4.358 0.000 . 2 . . . A 147 SER HB3 . 11549 1 784 . 1 1 60 60 SER C C 13 178.285 0.000 . 1 . . . A 147 SER C . 11549 1 785 . 1 1 60 60 SER CA C 13 62.019 0.107 . 1 . . . A 147 SER CA . 11549 1 786 . 1 1 60 60 SER CB C 13 63.518 0.343 . 1 . . . A 147 SER CB . 11549 1 787 . 1 1 60 60 SER N N 15 114.739 0.000 . 1 . . . A 147 SER N . 11549 1 788 . 1 1 61 61 LEU H H 1 8.582 0.007 . 1 . . . A 148 LEU H . 11549 1 789 . 1 1 61 61 LEU HA H 1 4.259 0.023 . 1 . . . A 148 LEU HA . 11549 1 790 . 1 1 61 61 LEU HB2 H 1 2.043 0.014 . 1 . . . A 148 LEU HB2 . 11549 1 791 . 1 1 61 61 LEU HB3 H 1 1.228 0.020 . 1 . . . A 148 LEU HB3 . 11549 1 792 . 1 1 61 61 LEU HG H 1 1.727 0.004 . 1 . . . A 148 LEU HG . 11549 1 793 . 1 1 61 61 LEU HD11 H 1 0.926 0.011 . 1 . . . A 148 LEU HD11 . 11549 1 794 . 1 1 61 61 LEU HD12 H 1 0.926 0.011 . 1 . . . A 148 LEU HD12 . 11549 1 795 . 1 1 61 61 LEU HD13 H 1 0.926 0.011 . 1 . . . A 148 LEU HD13 . 11549 1 796 . 1 1 61 61 LEU HD21 H 1 0.888 0.007 . 1 . . . A 148 LEU HD21 . 11549 1 797 . 1 1 61 61 LEU HD22 H 1 0.888 0.007 . 1 . . . A 148 LEU HD22 . 11549 1 798 . 1 1 61 61 LEU HD23 H 1 0.888 0.007 . 1 . . . A 148 LEU HD23 . 11549 1 799 . 1 1 61 61 LEU C C 13 178.319 0.000 . 1 . . . A 148 LEU C . 11549 1 800 . 1 1 61 61 LEU CA C 13 57.256 0.102 . 1 . . . A 148 LEU CA . 11549 1 801 . 1 1 61 61 LEU CB C 13 42.441 0.195 . 1 . . . A 148 LEU CB . 11549 1 802 . 1 1 61 61 LEU CG C 13 28.704 0.811 . 1 . . . A 148 LEU CG . 11549 1 803 . 1 1 61 61 LEU CD1 C 13 27.715 0.568 . 1 . . . A 148 LEU CD1 . 11549 1 804 . 1 1 61 61 LEU CD2 C 13 23.279 0.047 . 1 . . . A 148 LEU CD2 . 11549 1 805 . 1 1 61 61 LEU N N 15 122.649 0.000 . 1 . . . A 148 LEU N . 11549 1 806 . 1 1 62 62 GLN H H 1 8.052 0.013 . 1 . . . A 149 GLN H . 11549 1 807 . 1 1 62 62 GLN HA H 1 3.905 0.007 . 1 . . . A 149 GLN HA . 11549 1 808 . 1 1 62 62 GLN HB2 H 1 2.135 0.007 . 2 . . . A 149 GLN HB2 . 11549 1 809 . 1 1 62 62 GLN HB3 H 1 2.135 0.007 . 2 . . . A 149 GLN HB3 . 11549 1 810 . 1 1 62 62 GLN HG2 H 1 2.418 0.025 . 2 . . . A 149 GLN HG2 . 11549 1 811 . 1 1 62 62 GLN HG3 H 1 2.418 0.025 . 2 . . . A 149 GLN HG3 . 11549 1 812 . 1 1 62 62 GLN C C 13 178.979 0.000 . 1 . . . A 149 GLN C . 11549 1 813 . 1 1 62 62 GLN CA C 13 59.206 0.190 . 1 . . . A 149 GLN CA . 11549 1 814 . 1 1 62 62 GLN CB C 13 29.016 0.218 . 1 . . . A 149 GLN CB . 11549 1 815 . 1 1 62 62 GLN CG C 13 33.599 0.000 . 1 . . . A 149 GLN CG . 11549 1 816 . 1 1 62 62 GLN N N 15 119.697 0.000 . 1 . . . A 149 GLN N . 11549 1 817 . 1 1 63 63 ILE H H 1 7.777 0.006 . 1 . . . A 150 ILE H . 11549 1 818 . 1 1 63 63 ILE HA H 1 3.877 0.022 . 1 . . . A 150 ILE HA . 11549 1 819 . 1 1 63 63 ILE HB H 1 1.887 0.013 . 1 . . . A 150 ILE HB . 11549 1 820 . 1 1 63 63 ILE HG12 H 1 1.739 0.012 . 1 . . . A 150 ILE HG12 . 11549 1 821 . 1 1 63 63 ILE HG13 H 1 1.253 0.007 . 1 . . . A 150 ILE HG13 . 11549 1 822 . 1 1 63 63 ILE HG21 H 1 0.939 0.009 . 1 . . . A 150 ILE HG21 . 11549 1 823 . 1 1 63 63 ILE HG22 H 1 0.939 0.009 . 1 . . . A 150 ILE HG22 . 11549 1 824 . 1 1 63 63 ILE HG23 H 1 0.939 0.009 . 1 . . . A 150 ILE HG23 . 11549 1 825 . 1 1 63 63 ILE HD11 H 1 0.881 0.009 . 1 . . . A 150 ILE HD11 . 11549 1 826 . 1 1 63 63 ILE HD12 H 1 0.881 0.009 . 1 . . . A 150 ILE HD12 . 11549 1 827 . 1 1 63 63 ILE HD13 H 1 0.881 0.009 . 1 . . . A 150 ILE HD13 . 11549 1 828 . 1 1 63 63 ILE C C 13 179.359 0.000 . 1 . . . A 150 ILE C . 11549 1 829 . 1 1 63 63 ILE CA C 13 63.827 0.425 . 1 . . . A 150 ILE CA . 11549 1 830 . 1 1 63 63 ILE CB C 13 38.782 0.558 . 1 . . . A 150 ILE CB . 11549 1 831 . 1 1 63 63 ILE CG1 C 13 29.497 0.014 . 1 . . . A 150 ILE CG1 . 11549 1 832 . 1 1 63 63 ILE CG2 C 13 17.278 0.125 . 1 . . . A 150 ILE CG2 . 11549 1 833 . 1 1 63 63 ILE CD1 C 13 13.217 0.088 . 1 . . . A 150 ILE CD1 . 11549 1 834 . 1 1 63 63 ILE N N 15 117.002 0.000 . 1 . . . A 150 ILE N . 11549 1 835 . 1 1 64 64 GLY H H 1 8.682 0.005 . 1 . . . A 151 GLY H . 11549 1 836 . 1 1 64 64 GLY HA2 H 1 4.073 0.002 . 2 . . . A 151 GLY HA2 . 11549 1 837 . 1 1 64 64 GLY HA3 H 1 4.073 0.002 . 2 . . . A 151 GLY HA3 . 11549 1 838 . 1 1 64 64 GLY C C 13 176.570 0.000 . 1 . . . A 151 GLY C . 11549 1 839 . 1 1 64 64 GLY CA C 13 47.063 0.204 . 1 . . . A 151 GLY CA . 11549 1 840 . 1 1 64 64 GLY N N 15 109.408 0.000 . 1 . . . A 151 GLY N . 11549 1 841 . 1 1 65 65 ARG H H 1 8.414 0.006 . 1 . . . A 152 ARG H . 11549 1 842 . 1 1 65 65 ARG HA H 1 4.397 0.022 . 1 . . . A 152 ARG HA . 11549 1 843 . 1 1 65 65 ARG HB2 H 1 1.789 0.008 . 2 . . . A 152 ARG HB2 . 11549 1 844 . 1 1 65 65 ARG HB3 H 1 1.789 0.008 . 2 . . . A 152 ARG HB3 . 11549 1 845 . 1 1 65 65 ARG HG2 H 1 1.517 0.031 . 2 . . . A 152 ARG HG2 . 11549 1 846 . 1 1 65 65 ARG HG3 H 1 1.517 0.031 . 2 . . . A 152 ARG HG3 . 11549 1 847 . 1 1 65 65 ARG HD2 H 1 3.106 0.013 . 2 . . . A 152 ARG HD2 . 11549 1 848 . 1 1 65 65 ARG HD3 H 1 3.106 0.013 . 2 . . . A 152 ARG HD3 . 11549 1 849 . 1 1 65 65 ARG C C 13 178.269 0.000 . 1 . . . A 152 ARG C . 11549 1 850 . 1 1 65 65 ARG CA C 13 57.302 0.200 . 1 . . . A 152 ARG CA . 11549 1 851 . 1 1 65 65 ARG CB C 13 30.746 0.129 . 1 . . . A 152 ARG CB . 11549 1 852 . 1 1 65 65 ARG CG C 13 27.003 0.000 . 1 . . . A 152 ARG CG . 11549 1 853 . 1 1 65 65 ARG CD C 13 43.294 0.017 . 1 . . . A 152 ARG CD . 11549 1 854 . 1 1 65 65 ARG N N 15 117.882 0.000 . 1 . . . A 152 ARG N . 11549 1 855 . 1 1 66 66 ALA H H 1 7.460 0.009 . 1 . . . A 153 ALA H . 11549 1 856 . 1 1 66 66 ALA HA H 1 4.231 0.009 . 1 . . . A 153 ALA HA . 11549 1 857 . 1 1 66 66 ALA HB1 H 1 1.569 0.003 . 1 . . . A 153 ALA HB1 . 11549 1 858 . 1 1 66 66 ALA HB2 H 1 1.569 0.003 . 1 . . . A 153 ALA HB2 . 11549 1 859 . 1 1 66 66 ALA HB3 H 1 1.569 0.003 . 1 . . . A 153 ALA HB3 . 11549 1 860 . 1 1 66 66 ALA C C 13 179.138 0.000 . 1 . . . A 153 ALA C . 11549 1 861 . 1 1 66 66 ALA CA C 13 54.417 0.152 . 1 . . . A 153 ALA CA . 11549 1 862 . 1 1 66 66 ALA CB C 13 19.107 0.379 . 1 . . . A 153 ALA CB . 11549 1 863 . 1 1 66 66 ALA N N 15 123.032 0.000 . 1 . . . A 153 ALA N . 11549 1 864 . 1 1 67 67 SER H H 1 8.160 0.005 . 1 . . . A 154 SER H . 11549 1 865 . 1 1 67 67 SER HA H 1 4.334 0.027 . 1 . . . A 154 SER HA . 11549 1 866 . 1 1 67 67 SER HB2 H 1 3.798 0.086 . 2 . . . A 154 SER HB2 . 11549 1 867 . 1 1 67 67 SER HB3 H 1 3.798 0.086 . 2 . . . A 154 SER HB3 . 11549 1 868 . 1 1 67 67 SER C C 13 174.375 0.000 . 1 . . . A 154 SER C . 11549 1 869 . 1 1 67 67 SER CA C 13 58.588 0.602 . 1 . . . A 154 SER CA . 11549 1 870 . 1 1 67 67 SER CB C 13 63.917 0.729 . 1 . . . A 154 SER CB . 11549 1 871 . 1 1 67 67 SER N N 15 113.056 0.000 . 1 . . . A 154 SER N . 11549 1 872 . 1 1 68 68 ASN H H 1 8.146 0.002 . 1 . . . A 155 ASN H . 11549 1 873 . 1 1 68 68 ASN HA H 1 4.606 0.000 . 1 . . . A 155 ASN HA . 11549 1 874 . 1 1 68 68 ASN HB2 H 1 2.699 0.010 . 2 . . . A 155 ASN HB2 . 11549 1 875 . 1 1 68 68 ASN HB3 H 1 2.699 0.010 . 2 . . . A 155 ASN HB3 . 11549 1 876 . 1 1 68 68 ASN C C 13 176.531 0.000 . 1 . . . A 155 ASN C . 11549 1 877 . 1 1 68 68 ASN CA C 13 52.689 0.028 . 1 . . . A 155 ASN CA . 11549 1 878 . 1 1 68 68 ASN CB C 13 41.210 1.342 . 1 . . . A 155 ASN CB . 11549 1 879 . 1 1 68 68 ASN N N 15 120.667 0.000 . 1 . . . A 155 ASN N . 11549 1 880 . 1 1 69 69 GLY H H 1 8.302 0.003 . 1 . . . A 156 GLY H . 11549 1 881 . 1 1 69 69 GLY HA2 H 1 3.948 0.003 . 2 . . . A 156 GLY HA2 . 11549 1 882 . 1 1 69 69 GLY HA3 H 1 3.948 0.003 . 2 . . . A 156 GLY HA3 . 11549 1 883 . 1 1 69 69 GLY C C 13 174.782 0.000 . 1 . . . A 156 GLY C . 11549 1 884 . 1 1 69 69 GLY CA C 13 46.268 0.165 . 1 . . . A 156 GLY CA . 11549 1 885 . 1 1 69 69 GLY N N 15 108.774 0.000 . 1 . . . A 156 GLY N . 11549 1 886 . 1 1 70 70 GLY H H 1 8.179 0.007 . 1 . . . A 157 GLY H . 11549 1 887 . 1 1 70 70 GLY HA2 H 1 4.085 0.011 . 1 . . . A 157 GLY HA2 . 11549 1 888 . 1 1 70 70 GLY HA3 H 1 3.826 0.017 . 1 . . . A 157 GLY HA3 . 11549 1 889 . 1 1 70 70 GLY C C 13 173.675 0.000 . 1 . . . A 157 GLY C . 11549 1 890 . 1 1 70 70 GLY CA C 13 45.212 0.375 . 1 . . . A 157 GLY CA . 11549 1 891 . 1 1 70 70 GLY N N 15 106.826 0.000 . 1 . . . A 157 GLY N . 11549 1 892 . 1 1 71 71 LEU H H 1 7.733 0.007 . 1 . . . A 158 LEU H . 11549 1 893 . 1 1 71 71 LEU HA H 1 4.733 0.012 . 1 . . . A 158 LEU HA . 11549 1 894 . 1 1 71 71 LEU HB2 H 1 1.704 0.018 . 1 . . . A 158 LEU HB2 . 11549 1 895 . 1 1 71 71 LEU HB3 H 1 1.521 0.016 . 1 . . . A 158 LEU HB3 . 11549 1 896 . 1 1 71 71 LEU HD11 H 1 0.924 0.005 . 2 . . . A 158 LEU HD11 . 11549 1 897 . 1 1 71 71 LEU HD12 H 1 0.924 0.005 . 2 . . . A 158 LEU HD12 . 11549 1 898 . 1 1 71 71 LEU HD13 H 1 0.924 0.005 . 2 . . . A 158 LEU HD13 . 11549 1 899 . 1 1 71 71 LEU HD21 H 1 0.924 0.005 . 2 . . . A 158 LEU HD21 . 11549 1 900 . 1 1 71 71 LEU HD22 H 1 0.924 0.005 . 2 . . . A 158 LEU HD22 . 11549 1 901 . 1 1 71 71 LEU HD23 H 1 0.924 0.005 . 2 . . . A 158 LEU HD23 . 11549 1 902 . 1 1 71 71 LEU CA C 13 52.650 0.210 . 1 . . . A 158 LEU CA . 11549 1 903 . 1 1 71 71 LEU CB C 13 41.649 0.399 . 1 . . . A 158 LEU CB . 11549 1 904 . 1 1 71 71 LEU N N 15 122.404 0.000 . 1 . . . A 158 LEU N . 11549 1 905 . 1 1 72 72 PRO HA H 1 4.375 0.014 . 1 . . . A 159 PRO HA . 11549 1 906 . 1 1 72 72 PRO HB2 H 1 2.488 0.014 . 1 . . . A 159 PRO HB2 . 11549 1 907 . 1 1 72 72 PRO HB3 H 1 1.919 0.013 . 1 . . . A 159 PRO HB3 . 11549 1 908 . 1 1 72 72 PRO HG2 H 1 2.000 0.008 . 2 . . . A 159 PRO HG2 . 11549 1 909 . 1 1 72 72 PRO HG3 H 1 2.000 0.008 . 2 . . . A 159 PRO HG3 . 11549 1 910 . 1 1 72 72 PRO HD2 H 1 3.763 0.038 . 1 . . . A 159 PRO HD2 . 11549 1 911 . 1 1 72 72 PRO HD3 H 1 3.680 0.014 . 1 . . . A 159 PRO HD3 . 11549 1 912 . 1 1 72 72 PRO C C 13 176.353 0.000 . 1 . . . A 159 PRO C . 11549 1 913 . 1 1 72 72 PRO CA C 13 62.959 0.168 . 1 . . . A 159 PRO CA . 11549 1 914 . 1 1 72 72 PRO CB C 13 32.966 0.535 . 1 . . . A 159 PRO CB . 11549 1 915 . 1 1 72 72 PRO CG C 13 28.240 0.000 . 1 . . . A 159 PRO CG . 11549 1 916 . 1 1 72 72 PRO CD C 13 50.651 0.125 . 1 . . . A 159 PRO CD . 11549 1 917 . 1 1 73 73 LYS H H 1 8.434 0.002 . 1 . . . A 160 LYS H . 11549 1 918 . 1 1 73 73 LYS HA H 1 4.224 0.024 . 1 . . . A 160 LYS HA . 11549 1 919 . 1 1 73 73 LYS HB2 H 1 1.785 0.045 . 2 . . . A 160 LYS HB2 . 11549 1 920 . 1 1 73 73 LYS HB3 H 1 1.785 0.045 . 2 . . . A 160 LYS HB3 . 11549 1 921 . 1 1 73 73 LYS HG2 H 1 1.446 0.019 . 2 . . . A 160 LYS HG2 . 11549 1 922 . 1 1 73 73 LYS HG3 H 1 1.446 0.019 . 2 . . . A 160 LYS HG3 . 11549 1 923 . 1 1 73 73 LYS HD2 H 1 1.666 0.024 . 2 . . . A 160 LYS HD2 . 11549 1 924 . 1 1 73 73 LYS HD3 H 1 1.666 0.024 . 2 . . . A 160 LYS HD3 . 11549 1 925 . 1 1 73 73 LYS HE2 H 1 2.979 0.009 . 2 . . . A 160 LYS HE2 . 11549 1 926 . 1 1 73 73 LYS HE3 H 1 2.979 0.009 . 2 . . . A 160 LYS HE3 . 11549 1 927 . 1 1 73 73 LYS C C 13 176.398 0.000 . 1 . . . A 160 LYS C . 11549 1 928 . 1 1 73 73 LYS CA C 13 56.140 0.300 . 1 . . . A 160 LYS CA . 11549 1 929 . 1 1 73 73 LYS CB C 13 33.211 0.135 . 1 . . . A 160 LYS CB . 11549 1 930 . 1 1 73 73 LYS CG C 13 24.846 0.000 . 1 . . . A 160 LYS CG . 11549 1 931 . 1 1 73 73 LYS CD C 13 29.163 0.388 . 1 . . . A 160 LYS CD . 11549 1 932 . 1 1 73 73 LYS CE C 13 42.177 0.107 . 1 . . . A 160 LYS CE . 11549 1 933 . 1 1 73 73 LYS N N 15 122.187 0.000 . 1 . . . A 160 LYS N . 11549 1 934 . 1 1 74 74 ARG H H 1 8.400 0.002 . 1 . . . A 161 ARG H . 11549 1 935 . 1 1 74 74 ARG HA H 1 4.352 0.011 . 1 . . . A 161 ARG HA . 11549 1 936 . 1 1 74 74 ARG HB2 H 1 1.820 0.024 . 2 . . . A 161 ARG HB2 . 11549 1 937 . 1 1 74 74 ARG HB3 H 1 1.820 0.024 . 2 . . . A 161 ARG HB3 . 11549 1 938 . 1 1 74 74 ARG HG2 H 1 1.565 0.017 . 2 . . . A 161 ARG HG2 . 11549 1 939 . 1 1 74 74 ARG HG3 H 1 1.565 0.017 . 2 . . . A 161 ARG HG3 . 11549 1 940 . 1 1 74 74 ARG HD2 H 1 3.233 0.000 . 2 . . . A 161 ARG HD2 . 11549 1 941 . 1 1 74 74 ARG HD3 H 1 3.233 0.000 . 2 . . . A 161 ARG HD3 . 11549 1 942 . 1 1 74 74 ARG C C 13 175.721 0.000 . 1 . . . A 161 ARG C . 11549 1 943 . 1 1 74 74 ARG CA C 13 55.804 0.100 . 1 . . . A 161 ARG CA . 11549 1 944 . 1 1 74 74 ARG CB C 13 31.667 0.316 . 1 . . . A 161 ARG CB . 11549 1 945 . 1 1 74 74 ARG CG C 13 27.335 0.174 . 1 . . . A 161 ARG CG . 11549 1 946 . 1 1 74 74 ARG CD C 13 43.116 0.000 . 1 . . . A 161 ARG CD . 11549 1 947 . 1 1 74 74 ARG N N 15 123.277 0.000 . 1 . . . A 161 ARG N . 11549 1 948 . 1 1 75 75 ASP H H 1 8.489 0.003 . 1 . . . A 162 ASP H . 11549 1 949 . 1 1 75 75 ASP HA H 1 4.607 0.027 . 1 . . . A 162 ASP HA . 11549 1 950 . 1 1 75 75 ASP HB2 H 1 2.581 0.129 . 1 . . . A 162 ASP HB2 . 11549 1 951 . 1 1 75 75 ASP HB3 H 1 2.579 0.011 . 1 . . . A 162 ASP HB3 . 11549 1 952 . 1 1 75 75 ASP C C 13 176.346 0.000 . 1 . . . A 162 ASP C . 11549 1 953 . 1 1 75 75 ASP CA C 13 54.241 0.058 . 1 . . . A 162 ASP CA . 11549 1 954 . 1 1 75 75 ASP CB C 13 41.256 0.541 . 1 . . . A 162 ASP CB . 11549 1 955 . 1 1 75 75 ASP N N 15 122.250 0.000 . 1 . . . A 162 ASP N . 11549 1 956 . 1 1 76 76 VAL H H 1 8.155 0.003 . 1 . . . A 163 VAL H . 11549 1 957 . 1 1 76 76 VAL HA H 1 4.101 0.050 . 1 . . . A 163 VAL HA . 11549 1 958 . 1 1 76 76 VAL HB H 1 2.097 0.018 . 1 . . . A 163 VAL HB . 11549 1 959 . 1 1 76 76 VAL HG11 H 1 0.916 0.005 . 2 . . . A 163 VAL HG11 . 11549 1 960 . 1 1 76 76 VAL HG12 H 1 0.916 0.005 . 2 . . . A 163 VAL HG12 . 11549 1 961 . 1 1 76 76 VAL HG13 H 1 0.916 0.005 . 2 . . . A 163 VAL HG13 . 11549 1 962 . 1 1 76 76 VAL HG21 H 1 0.916 0.005 . 2 . . . A 163 VAL HG21 . 11549 1 963 . 1 1 76 76 VAL HG22 H 1 0.916 0.005 . 2 . . . A 163 VAL HG22 . 11549 1 964 . 1 1 76 76 VAL HG23 H 1 0.916 0.005 . 2 . . . A 163 VAL HG23 . 11549 1 965 . 1 1 76 76 VAL C C 13 175.881 0.000 . 1 . . . A 163 VAL C . 11549 1 966 . 1 1 76 76 VAL CA C 13 62.391 0.183 . 1 . . . A 163 VAL CA . 11549 1 967 . 1 1 76 76 VAL CB C 13 33.042 0.363 . 1 . . . A 163 VAL CB . 11549 1 968 . 1 1 76 76 VAL N N 15 119.819 0.000 . 1 . . . A 163 VAL N . 11549 1 969 . 1 1 77 77 ASN H H 1 8.551 0.007 . 1 . . . A 164 ASN H . 11549 1 970 . 1 1 77 77 ASN HA H 1 4.805 0.000 . 1 . . . A 164 ASN HA . 11549 1 971 . 1 1 77 77 ASN HB2 H 1 2.750 0.018 . 2 . . . A 164 ASN HB2 . 11549 1 972 . 1 1 77 77 ASN HB3 H 1 2.750 0.018 . 2 . . . A 164 ASN HB3 . 11549 1 973 . 1 1 77 77 ASN C C 13 175.358 0.000 . 1 . . . A 164 ASN C . 11549 1 974 . 1 1 77 77 ASN CA C 13 53.485 0.172 . 1 . . . A 164 ASN CA . 11549 1 975 . 1 1 77 77 ASN CB C 13 39.085 0.260 . 1 . . . A 164 ASN CB . 11549 1 976 . 1 1 77 77 ASN N N 15 121.502 0.000 . 1 . . . A 164 ASN N . 11549 1 977 . 1 1 78 78 THR H H 1 8.074 0.003 . 1 . . . A 165 THR H . 11549 1 978 . 1 1 78 78 THR HA H 1 4.313 0.007 . 1 . . . A 165 THR HA . 11549 1 979 . 1 1 78 78 THR HB H 1 4.176 0.011 . 1 . . . A 165 THR HB . 11549 1 980 . 1 1 78 78 THR HG21 H 1 1.162 0.012 . 1 . . . A 165 THR HG21 . 11549 1 981 . 1 1 78 78 THR HG22 H 1 1.162 0.012 . 1 . . . A 165 THR HG22 . 11549 1 982 . 1 1 78 78 THR HG23 H 1 1.162 0.012 . 1 . . . A 165 THR HG23 . 11549 1 983 . 1 1 78 78 THR C C 13 174.391 0.000 . 1 . . . A 165 THR C . 11549 1 984 . 1 1 78 78 THR CA C 13 62.140 0.115 . 1 . . . A 165 THR CA . 11549 1 985 . 1 1 78 78 THR CB C 13 69.778 0.140 . 1 . . . A 165 THR CB . 11549 1 986 . 1 1 78 78 THR CG2 C 13 21.694 0.353 . 1 . . . A 165 THR CG2 . 11549 1 987 . 1 1 78 78 THR N N 15 115.146 0.000 . 1 . . . A 165 THR N . 11549 1 988 . 1 1 79 79 VAL H H 1 8.187 0.002 . 1 . . . A 166 VAL H . 11549 1 989 . 1 1 79 79 VAL HA H 1 4.128 0.020 . 1 . . . A 166 VAL HA . 11549 1 990 . 1 1 79 79 VAL HB H 1 2.066 0.009 . 1 . . . A 166 VAL HB . 11549 1 991 . 1 1 79 79 VAL HG11 H 1 0.904 0.005 . 2 . . . A 166 VAL HG11 . 11549 1 992 . 1 1 79 79 VAL HG12 H 1 0.904 0.005 . 2 . . . A 166 VAL HG12 . 11549 1 993 . 1 1 79 79 VAL HG13 H 1 0.904 0.005 . 2 . . . A 166 VAL HG13 . 11549 1 994 . 1 1 79 79 VAL HG21 H 1 0.904 0.005 . 2 . . . A 166 VAL HG21 . 11549 1 995 . 1 1 79 79 VAL HG22 H 1 0.904 0.005 . 2 . . . A 166 VAL HG22 . 11549 1 996 . 1 1 79 79 VAL HG23 H 1 0.904 0.005 . 2 . . . A 166 VAL HG23 . 11549 1 997 . 1 1 79 79 VAL C C 13 175.992 0.000 . 1 . . . A 166 VAL C . 11549 1 998 . 1 1 79 79 VAL CA C 13 60.222 4.115 . 1 . . . A 166 VAL CA . 11549 1 999 . 1 1 79 79 VAL CB C 13 32.987 0.226 . 1 . . . A 166 VAL CB . 11549 1 1000 . 1 1 79 79 VAL N N 15 122.776 0.000 . 1 . . . A 166 VAL N . 11549 1 1001 . 1 1 80 80 SER H H 1 8.391 0.008 . 1 . . . A 167 SER H . 11549 1 1002 . 1 1 80 80 SER HA H 1 4.443 0.005 . 1 . . . A 167 SER HA . 11549 1 1003 . 1 1 80 80 SER HB2 H 1 3.891 0.000 . 2 . . . A 167 SER HB2 . 11549 1 1004 . 1 1 80 80 SER HB3 H 1 3.891 0.000 . 2 . . . A 167 SER HB3 . 11549 1 1005 . 1 1 80 80 SER C C 13 173.987 0.000 . 1 . . . A 167 SER C . 11549 1 1006 . 1 1 80 80 SER CA C 13 58.171 0.142 . 1 . . . A 167 SER CA . 11549 1 1007 . 1 1 80 80 SER CB C 13 63.919 0.149 . 1 . . . A 167 SER CB . 11549 1 1008 . 1 1 80 80 SER N N 15 120.051 0.000 . 1 . . . A 167 SER N . 11549 1 1009 . 1 1 81 81 GLU H H 1 8.427 0.004 . 1 . . . A 168 GLU H . 11549 1 1010 . 1 1 81 81 GLU HA H 1 4.563 0.000 . 1 . . . A 168 GLU HA . 11549 1 1011 . 1 1 81 81 GLU HB2 H 1 1.880 0.000 . 2 . . . A 168 GLU HB2 . 11549 1 1012 . 1 1 81 81 GLU HB3 H 1 1.880 0.000 . 2 . . . A 168 GLU HB3 . 11549 1 1013 . 1 1 81 81 GLU HG2 H 1 2.073 0.037 . 2 . . . A 168 GLU HG2 . 11549 1 1014 . 1 1 81 81 GLU HG3 H 1 2.073 0.037 . 2 . . . A 168 GLU HG3 . 11549 1 1015 . 1 1 81 81 GLU CA C 13 54.636 0.198 . 1 . . . A 168 GLU CA . 11549 1 1016 . 1 1 81 81 GLU CB C 13 30.052 0.000 . 1 . . . A 168 GLU CB . 11549 1 1017 . 1 1 81 81 GLU CG C 13 32.886 0.000 . 1 . . . A 168 GLU CG . 11549 1 1018 . 1 1 81 81 GLU N N 15 123.974 0.000 . 1 . . . A 168 GLU N . 11549 1 1019 . 1 1 82 82 PRO HA H 1 4.354 0.014 . 1 . . . A 169 PRO HA . 11549 1 1020 . 1 1 82 82 PRO HB2 H 1 2.268 0.003 . 1 . . . A 169 PRO HB2 . 11549 1 1021 . 1 1 82 82 PRO HB3 H 1 1.916 0.040 . 1 . . . A 169 PRO HB3 . 11549 1 1022 . 1 1 82 82 PRO HG2 H 1 2.018 0.000 . 2 . . . A 169 PRO HG2 . 11549 1 1023 . 1 1 82 82 PRO HG3 H 1 2.018 0.000 . 2 . . . A 169 PRO HG3 . 11549 1 1024 . 1 1 82 82 PRO HD2 H 1 3.831 0.000 . 2 . . . A 169 PRO HD2 . 11549 1 1025 . 1 1 82 82 PRO HD3 H 1 3.831 0.000 . 2 . . . A 169 PRO HD3 . 11549 1 1026 . 1 1 82 82 PRO C C 13 176.850 0.000 . 1 . . . A 169 PRO C . 11549 1 1027 . 1 1 82 82 PRO CA C 13 63.488 0.065 . 1 . . . A 169 PRO CA . 11549 1 1028 . 1 1 82 82 PRO CB C 13 32.126 0.072 . 1 . . . A 169 PRO CB . 11549 1 1029 . 1 1 82 82 PRO CG C 13 27.458 0.000 . 1 . . . A 169 PRO CG . 11549 1 1030 . 1 1 82 82 PRO CD C 13 50.687 0.000 . 1 . . . A 169 PRO CD . 11549 1 1031 . 1 1 83 83 ASP H H 1 8.458 0.004 . 1 . . . A 170 ASP H . 11549 1 1032 . 1 1 83 83 ASP HA H 1 4.555 0.018 . 1 . . . A 170 ASP HA . 11549 1 1033 . 1 1 83 83 ASP HB2 H 1 2.656 0.013 . 2 . . . A 170 ASP HB2 . 11549 1 1034 . 1 1 83 83 ASP HB3 H 1 2.656 0.013 . 2 . . . A 170 ASP HB3 . 11549 1 1035 . 1 1 83 83 ASP C C 13 176.487 0.000 . 1 . . . A 170 ASP C . 11549 1 1036 . 1 1 83 83 ASP CA C 13 54.592 0.143 . 1 . . . A 170 ASP CA . 11549 1 1037 . 1 1 83 83 ASP CB C 13 41.134 0.320 . 1 . . . A 170 ASP CB . 11549 1 1038 . 1 1 83 83 ASP N N 15 120.082 0.000 . 1 . . . A 170 ASP N . 11549 1 1039 . 1 1 84 84 SER H H 1 8.168 0.005 . 1 . . . A 171 SER H . 11549 1 1040 . 1 1 84 84 SER HA H 1 4.366 0.020 . 1 . . . A 171 SER HA . 11549 1 1041 . 1 1 84 84 SER HB2 H 1 3.862 0.013 . 2 . . . A 171 SER HB2 . 11549 1 1042 . 1 1 84 84 SER HB3 H 1 3.862 0.013 . 2 . . . A 171 SER HB3 . 11549 1 1043 . 1 1 84 84 SER C C 13 174.615 0.000 . 1 . . . A 171 SER C . 11549 1 1044 . 1 1 84 84 SER CA C 13 58.634 0.193 . 1 . . . A 171 SER CA . 11549 1 1045 . 1 1 84 84 SER CB C 13 63.809 0.153 . 1 . . . A 171 SER CB . 11549 1 1046 . 1 1 84 84 SER N N 15 115.874 0.000 . 1 . . . A 171 SER N . 11549 1 1047 . 1 1 85 85 GLN H H 1 8.372 0.007 . 1 . . . A 172 GLN H . 11549 1 1048 . 1 1 85 85 GLN HA H 1 4.297 0.000 . 1 . . . A 172 GLN HA . 11549 1 1049 . 1 1 85 85 GLN HB2 H 1 2.097 0.020 . 1 . . . A 172 GLN HB2 . 11549 1 1050 . 1 1 85 85 GLN HB3 H 1 1.949 0.014 . 1 . . . A 172 GLN HB3 . 11549 1 1051 . 1 1 85 85 GLN HG2 H 1 2.314 0.013 . 2 . . . A 172 GLN HG2 . 11549 1 1052 . 1 1 85 85 GLN HG3 H 1 2.314 0.013 . 2 . . . A 172 GLN HG3 . 11549 1 1053 . 1 1 85 85 GLN C C 13 175.632 0.000 . 1 . . . A 172 GLN C . 11549 1 1054 . 1 1 85 85 GLN CA C 13 55.674 0.032 . 1 . . . A 172 GLN CA . 11549 1 1055 . 1 1 85 85 GLN CB C 13 29.492 0.122 . 1 . . . A 172 GLN CB . 11549 1 1056 . 1 1 85 85 GLN CG C 13 34.143 0.408 . 1 . . . A 172 GLN CG . 11549 1 1057 . 1 1 85 85 GLN N N 15 121.583 0.000 . 1 . . . A 172 GLN N . 11549 1 1058 . 1 1 86 86 ILE H H 1 8.083 0.006 . 1 . . . A 173 ILE H . 11549 1 1059 . 1 1 86 86 ILE HA H 1 4.204 0.000 . 1 . . . A 173 ILE HA . 11549 1 1060 . 1 1 86 86 ILE HB H 1 1.766 0.011 . 1 . . . A 173 ILE HB . 11549 1 1061 . 1 1 86 86 ILE HG12 H 1 1.457 0.019 . 1 . . . A 173 ILE HG12 . 11549 1 1062 . 1 1 86 86 ILE HG13 H 1 1.090 0.009 . 1 . . . A 173 ILE HG13 . 11549 1 1063 . 1 1 86 86 ILE HG21 H 1 0.863 0.009 . 1 . . . A 173 ILE HG21 . 11549 1 1064 . 1 1 86 86 ILE HG22 H 1 0.863 0.009 . 1 . . . A 173 ILE HG22 . 11549 1 1065 . 1 1 86 86 ILE HG23 H 1 0.863 0.009 . 1 . . . A 173 ILE HG23 . 11549 1 1066 . 1 1 86 86 ILE HD11 H 1 0.774 0.017 . 1 . . . A 173 ILE HD11 . 11549 1 1067 . 1 1 86 86 ILE HD12 H 1 0.774 0.017 . 1 . . . A 173 ILE HD12 . 11549 1 1068 . 1 1 86 86 ILE HD13 H 1 0.774 0.017 . 1 . . . A 173 ILE HD13 . 11549 1 1069 . 1 1 86 86 ILE CA C 13 58.639 0.266 . 1 . . . A 173 ILE CA . 11549 1 1070 . 1 1 86 86 ILE CB C 13 38.554 0.231 . 1 . . . A 173 ILE CB . 11549 1 1071 . 1 1 86 86 ILE CG1 C 13 27.064 0.033 . 1 . . . A 173 ILE CG1 . 11549 1 1072 . 1 1 86 86 ILE CG2 C 13 17.167 0.096 . 1 . . . A 173 ILE CG2 . 11549 1 1073 . 1 1 86 86 ILE CD1 C 13 12.618 0.711 . 1 . . . A 173 ILE CD1 . 11549 1 1074 . 1 1 86 86 ILE N N 15 123.785 0.000 . 1 . . . A 173 ILE N . 11549 1 1075 . 1 1 88 88 PRO HA H 1 4.319 0.003 . 1 . . . A 175 PRO HA . 11549 1 1076 . 1 1 88 88 PRO HB2 H 1 2.301 0.017 . 1 . . . A 175 PRO HB2 . 11549 1 1077 . 1 1 88 88 PRO HB3 H 1 1.854 0.018 . 1 . . . A 175 PRO HB3 . 11549 1 1078 . 1 1 88 88 PRO HG2 H 1 1.990 0.051 . 2 . . . A 175 PRO HG2 . 11549 1 1079 . 1 1 88 88 PRO HG3 H 1 1.990 0.051 . 2 . . . A 175 PRO HG3 . 11549 1 1080 . 1 1 88 88 PRO HD2 H 1 3.853 0.000 . 2 . . . A 175 PRO HD2 . 11549 1 1081 . 1 1 88 88 PRO HD3 H 1 3.853 0.000 . 2 . . . A 175 PRO HD3 . 11549 1 1082 . 1 1 88 88 PRO C C 13 177.824 0.000 . 1 . . . A 175 PRO C . 11549 1 1083 . 1 1 88 88 PRO CA C 13 63.511 0.065 . 1 . . . A 175 PRO CA . 11549 1 1084 . 1 1 88 88 PRO CB C 13 31.981 0.080 . 1 . . . A 175 PRO CB . 11549 1 1085 . 1 1 88 88 PRO CG C 13 27.451 0.089 . 1 . . . A 175 PRO CG . 11549 1 1086 . 1 1 88 88 PRO CD C 13 50.560 0.000 . 1 . . . A 175 PRO CD . 11549 1 1087 . 1 1 89 89 GLY H H 1 8.524 0.005 . 1 . . . A 176 GLY H . 11549 1 1088 . 1 1 89 89 GLY HA2 H 1 3.895 0.038 . 2 . . . A 176 GLY HA2 . 11549 1 1089 . 1 1 89 89 GLY HA3 H 1 3.895 0.038 . 2 . . . A 176 GLY HA3 . 11549 1 1090 . 1 1 89 89 GLY C C 13 174.159 0.000 . 1 . . . A 176 GLY C . 11549 1 1091 . 1 1 89 89 GLY CA C 13 45.257 0.155 . 1 . . . A 176 GLY CA . 11549 1 1092 . 1 1 89 89 GLY N N 15 108.967 0.000 . 1 . . . A 176 GLY N . 11549 1 1093 . 1 1 90 90 PHE H H 1 8.015 0.010 . 1 . . . A 177 PHE H . 11549 1 1094 . 1 1 90 90 PHE HA H 1 4.506 0.009 . 1 . . . A 177 PHE HA . 11549 1 1095 . 1 1 90 90 PHE HB2 H 1 3.039 0.005 . 2 . . . A 177 PHE HB2 . 11549 1 1096 . 1 1 90 90 PHE HB3 H 1 3.039 0.005 . 2 . . . A 177 PHE HB3 . 11549 1 1097 . 1 1 90 90 PHE HD1 H 1 7.164 0.018 . 3 . . . A 177 PHE HD1 . 11549 1 1098 . 1 1 90 90 PHE HD2 H 1 7.164 0.018 . 3 . . . A 177 PHE HD2 . 11549 1 1099 . 1 1 90 90 PHE C C 13 175.964 0.000 . 1 . . . A 177 PHE C . 11549 1 1100 . 1 1 90 90 PHE CA C 13 58.194 0.087 . 1 . . . A 177 PHE CA . 11549 1 1101 . 1 1 90 90 PHE CB C 13 39.806 0.307 . 1 . . . A 177 PHE CB . 11549 1 1102 . 1 1 90 90 PHE CD1 C 13 130.861 0.061 . 3 . . . A 177 PHE CD1 . 11549 1 1103 . 1 1 90 90 PHE CD2 C 13 130.861 0.061 . 3 . . . A 177 PHE CD2 . 11549 1 1104 . 1 1 90 90 PHE N N 15 120.277 0.000 . 1 . . . A 177 PHE N . 11549 1 1105 . 1 1 91 91 ARG H H 1 8.267 0.004 . 1 . . . A 178 ARG H . 11549 1 1106 . 1 1 91 91 ARG HA H 1 4.233 0.013 . 1 . . . A 178 ARG HA . 11549 1 1107 . 1 1 91 91 ARG HB2 H 1 1.801 0.000 . 2 . . . A 178 ARG HB2 . 11549 1 1108 . 1 1 91 91 ARG HB3 H 1 1.801 0.000 . 2 . . . A 178 ARG HB3 . 11549 1 1109 . 1 1 91 91 ARG HG2 H 1 1.505 0.046 . 2 . . . A 178 ARG HG2 . 11549 1 1110 . 1 1 91 91 ARG HG3 H 1 1.505 0.046 . 2 . . . A 178 ARG HG3 . 11549 1 1111 . 1 1 91 91 ARG HD2 H 1 3.138 0.000 . 2 . . . A 178 ARG HD2 . 11549 1 1112 . 1 1 91 91 ARG HD3 H 1 3.138 0.000 . 2 . . . A 178 ARG HD3 . 11549 1 1113 . 1 1 91 91 ARG C C 13 176.265 0.000 . 1 . . . A 178 ARG C . 11549 1 1114 . 1 1 91 91 ARG CA C 13 56.112 0.190 . 1 . . . A 178 ARG CA . 11549 1 1115 . 1 1 91 91 ARG CB C 13 30.962 0.266 . 1 . . . A 178 ARG CB . 11549 1 1116 . 1 1 91 91 ARG CG C 13 27.077 0.000 . 1 . . . A 178 ARG CG . 11549 1 1117 . 1 1 91 91 ARG CD C 13 43.249 0.000 . 1 . . . A 178 ARG CD . 11549 1 1118 . 1 1 91 91 ARG N N 15 123.268 0.000 . 1 . . . A 178 ARG N . 11549 1 1119 . 1 1 92 92 GLY H H 1 7.733 0.021 . 1 . . . A 179 GLY H . 11549 1 1120 . 1 1 92 92 GLY HA2 H 1 3.795 0.000 . 2 . . . A 179 GLY HA2 . 11549 1 1121 . 1 1 92 92 GLY HA3 H 1 3.795 0.000 . 2 . . . A 179 GLY HA3 . 11549 1 1122 . 1 1 92 92 GLY CA C 13 45.253 0.238 . 1 . . . A 179 GLY CA . 11549 1 1123 . 1 1 92 92 GLY N N 15 108.615 0.000 . 1 . . . A 179 GLY N . 11549 1 stop_ save_