data_18808 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18808 _Entry.Title ; Structure, phosphorylation and U2AF65 binding of the Nterminal domain of splicing factor 1 during 3 splice site recognition ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-10-25 _Entry.Accession_date 2012-10-25 _Entry.Last_release_date 2013-01-28 _Entry.Original_release_date 2013-01-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _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 Tobias Madl . . . 18808 2 Michael Sattler . . . 18808 3 Yun Zhang . . . 18808 4 Ivona Bagdiul . . . 18808 5 Thomas Kern . . . 18808 6 Hyun-Seo Kang . . . 18808 7 Peijian Zou . . . 18808 8 Nina Maeusbacher . . . 18808 9 Stephan Sieber . A. . 18808 10 Angela Kraemer . . . 18808 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' . 18808 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RRM . 18808 SF1 . 18808 'spliceosome assembly' . 18808 U2AF65 . 18808 UHM . 18808 ULM . 18808 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 18808 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 468 18808 '15N chemical shifts' 209 18808 '1H chemical shifts' 576 18808 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-01-28 2012-10-25 original author . 18808 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M0G 'BMRB Entry Tracking System' 18808 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18808 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23175611 _Citation.Full_citation . _Citation.Title 'Structure, phosphorylation and U2AF65 binding of the N-terminal domain of splicing factor 1 during 3'-splice site recognition' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 41 _Citation.Journal_issue 2 _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 1343 _Citation.Page_last 1354 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yun Zhang . . . 18808 1 2 Tobias Madl . . . 18808 1 3 Ivona Bagdiul . . . 18808 1 4 Thomas Kern . . . 18808 1 5 Hyun-Seo Kang . . . 18808 1 6 Peijian Zou . . . 18808 1 7 Nina Maeusbacher . . . 18808 1 8 Stephan Sieber . . . 18808 1 9 Angela Kraemer . . . 18808 1 10 Michael Sattler . . . 18808 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18808 _Assembly.ID 1 _Assembly.Name 'Nterminal domain of splicing factor 1' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 entity_1 1 $entity_1 A . yes native no no . . . 18808 1 2 entity_2 2 $entity_2 B . yes native no no . . . 18808 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 18808 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MATGANATPLDFPSKKRKRS RWNQDTMEQKTVIPGMPTVI PPGLTREQERAYIVQLQIED LTRKLRTGDLGIPPNPEDRS PSPEPIYNSEGKRLNTREFR TRKKLEEERHNLITEMVALN PDFKPPADYKPPATRVCDKV MIPQD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 145 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16675.199 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18802 . entity . . . . . 82.76 121 98.33 98.33 1.74e-77 . . . . 18808 1 2 no PDB 2M09 . "Structure, Phosphorylation And U2af65 Binding Of The Nterminal Domain Of Splicing Factor 1 During 3 Splice Site Recognition" . . . . . 82.76 121 98.33 98.33 1.74e-77 . . . . 18808 1 3 no PDB 2M0G . "Structure, Phosphorylation And U2af65 Binding Of The Nterminal Domain Of Splicing Factor 1 During 3 Splice Site Recognition" . . . . . 100.00 145 100.00 100.00 7.41e-100 . . . . 18808 1 4 no PDB 4FXX . "Structure Of Sf1 Coiled-coil Domain" . . . . . 73.79 112 100.00 100.00 9.54e-69 . . . . 18808 1 5 no DBJ BAA05116 . "ZFM1 protein alternatively spliced product [Homo sapiens]" . . . . . 100.00 548 99.31 99.31 1.36e-93 . . . . 18808 1 6 no DBJ BAA05117 . "ZFM1 protein [Homo sapiens]" . . . . . 100.00 623 99.31 99.31 5.29e-93 . . . . 18808 1 7 no DBJ BAE01434 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 419 99.31 99.31 4.08e-95 . . . . 18808 1 8 no DBJ BAE26935 . "unnamed protein product [Mus musculus]" . . . . . 100.00 639 98.62 98.62 1.44e-92 . . . . 18808 1 9 no DBJ BAE27661 . "unnamed protein product [Mus musculus]" . . . . . 100.00 639 98.62 98.62 1.16e-92 . . . . 18808 1 10 no EMBL CAA03883 . "splicing factor SF1 [Homo sapiens]" . . . . . 100.00 295 99.31 99.31 2.17e-97 . . . . 18808 1 11 no EMBL CAA59797 . "CW17R [Mus musculus]" . . . . . 100.00 548 98.62 98.62 1.40e-92 . . . . 18808 1 12 no EMBL CAA70018 . "SF1-Hl1 isoform [Homo sapiens]" . . . . . 100.00 639 99.31 99.31 1.45e-93 . . . . 18808 1 13 no EMBL CAA70019 . "SF1-Bo isoform [Homo sapiens]" . . . . . 100.00 638 99.31 99.31 3.99e-93 . . . . 18808 1 14 no EMBL CAA73359 . "CW17 [Mus musculus]" . . . . . 100.00 653 98.62 98.62 7.03e-92 . . . . 18808 1 15 no GB AAB03514 . "transcription factor ZFM1 [Homo sapiens]" . . . . . 100.00 571 99.31 99.31 1.33e-93 . . . . 18808 1 16 no GB AAB04033 . "transcription factor ZFM1 [Homo sapiens]" . . . . . 100.00 639 99.31 99.31 1.72e-93 . . . . 18808 1 17 no GB AAH08080 . "Splicing factor 1 [Homo sapiens]" . . . . . 100.00 548 99.31 99.31 1.39e-93 . . . . 18808 1 18 no GB AAH08724 . "Splicing factor 1 [Homo sapiens]" . . . . . 100.00 548 99.31 99.31 1.39e-93 . . . . 18808 1 19 no GB AAH09091 . "Sf1 protein [Mus musculus]" . . . . . 100.00 639 98.62 98.62 1.31e-92 . . . . 18808 1 20 no PIR S52735 . "CW17R protein - mouse" . . . . . 100.00 548 98.62 98.62 1.40e-92 . . . . 18808 1 21 no REF NP_001075083 . "splicing factor 1 [Bos taurus]" . . . . . 100.00 639 99.31 99.31 1.45e-93 . . . . 18808 1 22 no REF NP_001104261 . "splicing factor 1 isoform 1 [Mus musculus]" . . . . . 100.00 639 98.62 98.62 1.16e-92 . . . . 18808 1 23 no REF NP_001104263 . "splicing factor 1 isoform 1 [Rattus norvegicus]" . . . . . 100.00 639 98.62 98.62 1.16e-92 . . . . 18808 1 24 no REF NP_001162562 . "splicing factor 1 [Papio anubis]" . . . . . 100.00 638 99.31 99.31 3.99e-93 . . . . 18808 1 25 no REF NP_001164798 . "splicing factor 1 [Oryctolagus cuniculus]" . . . . . 100.00 638 99.31 99.31 3.78e-93 . . . . 18808 1 26 no SP Q15637 . "RecName: Full=Splicing factor 1; AltName: Full=Mammalian branch point-binding protein; Short=BBP; Short=mBBP; AltName: Full=Tra" . . . . . 100.00 639 99.31 99.31 1.45e-93 . . . . 18808 1 27 no SP Q64213 . "RecName: Full=Splicing factor 1; AltName: Full=CW17; AltName: Full=Mammalian branch point-binding protein; Short=BBP; Short=mBB" . . . . . 100.00 653 98.62 98.62 9.07e-92 . . . . 18808 1 28 no TPG DAA13585 . "TPA: splicing factor 1 [Bos taurus]" . . . . . 100.00 639 99.31 99.31 1.45e-93 . . . . 18808 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 1 MET . 18808 1 2 2 ALA . 18808 1 3 3 THR . 18808 1 4 4 GLY . 18808 1 5 5 ALA . 18808 1 6 6 ASN . 18808 1 7 7 ALA . 18808 1 8 8 THR . 18808 1 9 9 PRO . 18808 1 10 10 LEU . 18808 1 11 11 ASP . 18808 1 12 12 PHE . 18808 1 13 13 PRO . 18808 1 14 14 SER . 18808 1 15 15 LYS . 18808 1 16 16 LYS . 18808 1 17 17 ARG . 18808 1 18 18 LYS . 18808 1 19 19 ARG . 18808 1 20 20 SER . 18808 1 21 21 ARG . 18808 1 22 22 TRP . 18808 1 23 23 ASN . 18808 1 24 24 GLN . 18808 1 25 25 ASP . 18808 1 26 26 THR . 18808 1 27 27 MET . 18808 1 28 28 GLU . 18808 1 29 29 GLN . 18808 1 30 30 LYS . 18808 1 31 31 THR . 18808 1 32 32 VAL . 18808 1 33 33 ILE . 18808 1 34 34 PRO . 18808 1 35 35 GLY . 18808 1 36 36 MET . 18808 1 37 37 PRO . 18808 1 38 38 THR . 18808 1 39 39 VAL . 18808 1 40 40 ILE . 18808 1 41 41 PRO . 18808 1 42 42 PRO . 18808 1 43 43 GLY . 18808 1 44 44 LEU . 18808 1 45 45 THR . 18808 1 46 46 ARG . 18808 1 47 47 GLU . 18808 1 48 48 GLN . 18808 1 49 49 GLU . 18808 1 50 50 ARG . 18808 1 51 51 ALA . 18808 1 52 52 TYR . 18808 1 53 53 ILE . 18808 1 54 54 VAL . 18808 1 55 55 GLN . 18808 1 56 56 LEU . 18808 1 57 57 GLN . 18808 1 58 58 ILE . 18808 1 59 59 GLU . 18808 1 60 60 ASP . 18808 1 61 61 LEU . 18808 1 62 62 THR . 18808 1 63 63 ARG . 18808 1 64 64 LYS . 18808 1 65 65 LEU . 18808 1 66 66 ARG . 18808 1 67 67 THR . 18808 1 68 68 GLY . 18808 1 69 69 ASP . 18808 1 70 70 LEU . 18808 1 71 71 GLY . 18808 1 72 72 ILE . 18808 1 73 73 PRO . 18808 1 74 74 PRO . 18808 1 75 75 ASN . 18808 1 76 76 PRO . 18808 1 77 77 GLU . 18808 1 78 78 ASP . 18808 1 79 79 ARG . 18808 1 80 80 SER . 18808 1 81 81 PRO . 18808 1 82 82 SER . 18808 1 83 83 PRO . 18808 1 84 84 GLU . 18808 1 85 85 PRO . 18808 1 86 86 ILE . 18808 1 87 87 TYR . 18808 1 88 88 ASN . 18808 1 89 89 SER . 18808 1 90 90 GLU . 18808 1 91 91 GLY . 18808 1 92 92 LYS . 18808 1 93 93 ARG . 18808 1 94 94 LEU . 18808 1 95 95 ASN . 18808 1 96 96 THR . 18808 1 97 97 ARG . 18808 1 98 98 GLU . 18808 1 99 99 PHE . 18808 1 100 100 ARG . 18808 1 101 101 THR . 18808 1 102 102 ARG . 18808 1 103 103 LYS . 18808 1 104 104 LYS . 18808 1 105 105 LEU . 18808 1 106 106 GLU . 18808 1 107 107 GLU . 18808 1 108 108 GLU . 18808 1 109 109 ARG . 18808 1 110 110 HIS . 18808 1 111 111 ASN . 18808 1 112 112 LEU . 18808 1 113 113 ILE . 18808 1 114 114 THR . 18808 1 115 115 GLU . 18808 1 116 116 MET . 18808 1 117 117 VAL . 18808 1 118 118 ALA . 18808 1 119 119 LEU . 18808 1 120 120 ASN . 18808 1 121 121 PRO . 18808 1 122 122 ASP . 18808 1 123 123 PHE . 18808 1 124 124 LYS . 18808 1 125 125 PRO . 18808 1 126 126 PRO . 18808 1 127 127 ALA . 18808 1 128 128 ASP . 18808 1 129 129 TYR . 18808 1 130 130 LYS . 18808 1 131 131 PRO . 18808 1 132 132 PRO . 18808 1 133 133 ALA . 18808 1 134 134 THR . 18808 1 135 135 ARG . 18808 1 136 136 VAL . 18808 1 137 137 CYS . 18808 1 138 138 ASP . 18808 1 139 139 LYS . 18808 1 140 140 VAL . 18808 1 141 141 MET . 18808 1 142 142 ILE . 18808 1 143 143 PRO . 18808 1 144 144 GLN . 18808 1 145 145 ASP . 18808 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 18808 1 . ALA 2 2 18808 1 . THR 3 3 18808 1 . GLY 4 4 18808 1 . ALA 5 5 18808 1 . ASN 6 6 18808 1 . ALA 7 7 18808 1 . THR 8 8 18808 1 . PRO 9 9 18808 1 . LEU 10 10 18808 1 . ASP 11 11 18808 1 . PHE 12 12 18808 1 . PRO 13 13 18808 1 . SER 14 14 18808 1 . LYS 15 15 18808 1 . LYS 16 16 18808 1 . ARG 17 17 18808 1 . LYS 18 18 18808 1 . ARG 19 19 18808 1 . SER 20 20 18808 1 . ARG 21 21 18808 1 . TRP 22 22 18808 1 . ASN 23 23 18808 1 . GLN 24 24 18808 1 . ASP 25 25 18808 1 . THR 26 26 18808 1 . MET 27 27 18808 1 . GLU 28 28 18808 1 . GLN 29 29 18808 1 . LYS 30 30 18808 1 . THR 31 31 18808 1 . VAL 32 32 18808 1 . ILE 33 33 18808 1 . PRO 34 34 18808 1 . GLY 35 35 18808 1 . MET 36 36 18808 1 . PRO 37 37 18808 1 . THR 38 38 18808 1 . VAL 39 39 18808 1 . ILE 40 40 18808 1 . PRO 41 41 18808 1 . PRO 42 42 18808 1 . GLY 43 43 18808 1 . LEU 44 44 18808 1 . THR 45 45 18808 1 . ARG 46 46 18808 1 . GLU 47 47 18808 1 . GLN 48 48 18808 1 . GLU 49 49 18808 1 . ARG 50 50 18808 1 . ALA 51 51 18808 1 . TYR 52 52 18808 1 . ILE 53 53 18808 1 . VAL 54 54 18808 1 . GLN 55 55 18808 1 . LEU 56 56 18808 1 . GLN 57 57 18808 1 . ILE 58 58 18808 1 . GLU 59 59 18808 1 . ASP 60 60 18808 1 . LEU 61 61 18808 1 . THR 62 62 18808 1 . ARG 63 63 18808 1 . LYS 64 64 18808 1 . LEU 65 65 18808 1 . ARG 66 66 18808 1 . THR 67 67 18808 1 . GLY 68 68 18808 1 . ASP 69 69 18808 1 . LEU 70 70 18808 1 . GLY 71 71 18808 1 . ILE 72 72 18808 1 . PRO 73 73 18808 1 . PRO 74 74 18808 1 . ASN 75 75 18808 1 . PRO 76 76 18808 1 . GLU 77 77 18808 1 . ASP 78 78 18808 1 . ARG 79 79 18808 1 . SER 80 80 18808 1 . PRO 81 81 18808 1 . SER 82 82 18808 1 . PRO 83 83 18808 1 . GLU 84 84 18808 1 . PRO 85 85 18808 1 . ILE 86 86 18808 1 . TYR 87 87 18808 1 . ASN 88 88 18808 1 . SER 89 89 18808 1 . GLU 90 90 18808 1 . GLY 91 91 18808 1 . LYS 92 92 18808 1 . ARG 93 93 18808 1 . LEU 94 94 18808 1 . ASN 95 95 18808 1 . THR 96 96 18808 1 . ARG 97 97 18808 1 . GLU 98 98 18808 1 . PHE 99 99 18808 1 . ARG 100 100 18808 1 . THR 101 101 18808 1 . ARG 102 102 18808 1 . LYS 103 103 18808 1 . LYS 104 104 18808 1 . LEU 105 105 18808 1 . GLU 106 106 18808 1 . GLU 107 107 18808 1 . GLU 108 108 18808 1 . ARG 109 109 18808 1 . HIS 110 110 18808 1 . ASN 111 111 18808 1 . LEU 112 112 18808 1 . ILE 113 113 18808 1 . THR 114 114 18808 1 . GLU 115 115 18808 1 . MET 116 116 18808 1 . VAL 117 117 18808 1 . ALA 118 118 18808 1 . LEU 119 119 18808 1 . ASN 120 120 18808 1 . PRO 121 121 18808 1 . ASP 122 122 18808 1 . PHE 123 123 18808 1 . LYS 124 124 18808 1 . PRO 125 125 18808 1 . PRO 126 126 18808 1 . ALA 127 127 18808 1 . ASP 128 128 18808 1 . TYR 129 129 18808 1 . LYS 130 130 18808 1 . PRO 131 131 18808 1 . PRO 132 132 18808 1 . ALA 133 133 18808 1 . THR 134 134 18808 1 . ARG 135 135 18808 1 . VAL 136 136 18808 1 . CYS 137 137 18808 1 . ASP 138 138 18808 1 . LYS 139 139 18808 1 . VAL 140 140 18808 1 . MET 141 141 18808 1 . ILE 142 142 18808 1 . PRO 143 143 18808 1 . GLN 144 144 18808 1 . ASP 145 145 18808 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 18808 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHPTEVLCLMNMVLPEELLD DEEYEEIVEDVRDECSKYGL VKSIEIPRPVDGVEVPGCGK IFVEFTSVFDCQKAMQGLTG RKFANRVVVTKYCDPDSYHR RDFW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11976.698 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 BMRB 19034 . U2AF . . . . . 100.00 105 100.00 100.00 2.48e-69 . . . . 18808 2 2 no PDB 1O0P . "Solution Structure Of The Third Rna Recognition Motif (Rrm) Of U2af65 In Complex With An N-Terminal Sf1 Peptide" . . . . . 99.04 104 100.00 100.00 1.46e-68 . . . . 18808 2 3 no PDB 1OPI . "Solution Structure Of The Third Rna Recognition Motif (Rrm) Of U2af65 In Complex With An N-Terminal Sf1 Peptide" . . . . . 100.00 104 100.00 100.00 1.87e-69 . . . . 18808 2 4 no PDB 2M0G . "Structure, Phosphorylation And U2af65 Binding Of The Nterminal Domain Of Splicing Factor 1 During 3 Splice Site Recognition" . . . . . 100.00 104 100.00 100.00 1.87e-69 . . . . 18808 2 5 no PDB 2M52 . "Nmr Structure Of The Third Rna Recognition Motif (rrm) Of U2 Small Nuclear Ribonucleoprotein Auxiliary Factor (u2af) 2" . . . . . 100.00 105 100.00 100.00 2.48e-69 . . . . 18808 2 6 no PDB 3V4M . "Crystal Structure Of A Rna Binding Domain Of A U2 Small Nuclear Ribonucleoprotein Auxiliary Factor 2 (U2af) From Mus Musculus A" . . . . . 100.00 105 97.12 97.12 2.22e-66 . . . . 18808 2 7 no PDB 4FXW . "Structure Of Phosphorylated Sf1 Complex With U2af65-uhm Domain" . . . . . 97.12 106 97.03 97.03 2.60e-63 . . . . 18808 2 8 no DBJ BAC37309 . "unnamed protein product [Mus musculus]" . . . . . 100.00 475 100.00 100.00 3.76e-68 . . . . 18808 2 9 no DBJ BAG70075 . "U2 small nuclear RNA auxiliary factor 2 isoform b [Homo sapiens]" . . . . . 100.00 471 100.00 100.00 3.43e-68 . . . . 18808 2 10 no DBJ BAG70201 . "U2 small nuclear RNA auxiliary factor 2 isoform b [Homo sapiens]" . . . . . 100.00 471 100.00 100.00 3.43e-68 . . . . 18808 2 11 no DBJ BAI45669 . "U2 small nuclear RNA auxiliary factor 2 [synthetic construct]" . . . . . 100.00 471 100.00 100.00 3.51e-68 . . . . 18808 2 12 no EMBL CAA45409 . "splicing factor U2AF [Homo sapiens]" . . . . . 100.00 475 100.00 100.00 3.45e-68 . . . . 18808 2 13 no EMBL CAA45874 . "splicing factor U2AF [Mus musculus]" . . . . . 100.00 475 100.00 100.00 3.76e-68 . . . . 18808 2 14 no EMBL CAA45875 . "unnamed protein product [Mus musculus]" . . . . . 100.00 492 100.00 100.00 5.05e-68 . . . . 18808 2 15 no GB AAH07487 . "U2 small nuclear ribonucleoprotein auxiliary factor (U2AF) 2 [Mus musculus]" . . . . . 100.00 306 100.00 100.00 1.27e-69 . . . . 18808 2 16 no GB AAH08740 . "U2 small nuclear RNA auxiliary factor 2 [Homo sapiens]" . . . . . 100.00 471 100.00 100.00 3.51e-68 . . . . 18808 2 17 no GB AAH30574 . "U2 small nuclear RNA auxiliary factor 2 [Homo sapiens]" . . . . . 100.00 471 100.00 100.00 3.51e-68 . . . . 18808 2 18 no GB AAH43071 . "U2af2 protein [Mus musculus]" . . . . . 100.00 471 100.00 100.00 3.51e-68 . . . . 18808 2 19 no GB AAH89996 . "U2af2 protein, partial [Rattus norvegicus]" . . . . . 84.62 88 100.00 100.00 2.08e-56 . . . . 18808 2 20 no PRF 1805352A . "splicing factor U2AF:SUBUNIT=large" . . . . . 100.00 475 100.00 100.00 3.76e-68 . . . . 18808 2 21 no REF NP_001012496 . "splicing factor U2AF 65 kDa subunit isoform b [Homo sapiens]" . . . . . 100.00 471 100.00 100.00 3.51e-68 . . . . 18808 2 22 no REF NP_001068804 . "splicing factor U2AF 65 kDa subunit [Bos taurus]" . . . . . 100.00 475 99.04 99.04 1.82e-67 . . . . 18808 2 23 no REF NP_001192160 . "splicing factor U2AF 65 kDa subunit isoform 1 [Mus musculus]" . . . . . 100.00 475 100.00 100.00 3.76e-68 . . . . 18808 2 24 no REF NP_009210 . "splicing factor U2AF 65 kDa subunit isoform a [Homo sapiens]" . . . . . 100.00 475 100.00 100.00 3.45e-68 . . . . 18808 2 25 no REF NP_598432 . "splicing factor U2AF 65 kDa subunit isoform 2 [Mus musculus]" . . . . . 100.00 471 100.00 100.00 3.51e-68 . . . . 18808 2 26 no SP P26368 . "RecName: Full=Splicing factor U2AF 65 kDa subunit; AltName: Full=U2 auxiliary factor 65 kDa subunit; Short=hU2AF(65); Short=hU2" . . . . . 100.00 475 100.00 100.00 3.45e-68 . . . . 18808 2 27 no SP P26369 . "RecName: Full=Splicing factor U2AF 65 kDa subunit; AltName: Full=U2 auxiliary factor 65 kDa subunit; AltName: Full=U2 snRNP aux" . . . . . 100.00 475 100.00 100.00 3.76e-68 . . . . 18808 2 28 no TPG DAA19368 . "TPA: U2 (RNU2) small nuclear RNA auxiliary factor 2 [Bos taurus]" . . . . . 100.00 475 99.04 99.04 1.82e-67 . . . . 18808 2 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 1 372 GLY . 18808 2 2 373 HIS . 18808 2 3 374 PRO . 18808 2 4 375 THR . 18808 2 5 376 GLU . 18808 2 6 377 VAL . 18808 2 7 378 LEU . 18808 2 8 379 CYS . 18808 2 9 380 LEU . 18808 2 10 381 MET . 18808 2 11 382 ASN . 18808 2 12 383 MET . 18808 2 13 384 VAL . 18808 2 14 385 LEU . 18808 2 15 386 PRO . 18808 2 16 387 GLU . 18808 2 17 388 GLU . 18808 2 18 389 LEU . 18808 2 19 390 LEU . 18808 2 20 391 ASP . 18808 2 21 392 ASP . 18808 2 22 393 GLU . 18808 2 23 394 GLU . 18808 2 24 395 TYR . 18808 2 25 396 GLU . 18808 2 26 397 GLU . 18808 2 27 398 ILE . 18808 2 28 399 VAL . 18808 2 29 400 GLU . 18808 2 30 401 ASP . 18808 2 31 402 VAL . 18808 2 32 403 ARG . 18808 2 33 404 ASP . 18808 2 34 405 GLU . 18808 2 35 406 CYS . 18808 2 36 407 SER . 18808 2 37 408 LYS . 18808 2 38 409 TYR . 18808 2 39 410 GLY . 18808 2 40 411 LEU . 18808 2 41 412 VAL . 18808 2 42 413 LYS . 18808 2 43 414 SER . 18808 2 44 415 ILE . 18808 2 45 416 GLU . 18808 2 46 417 ILE . 18808 2 47 418 PRO . 18808 2 48 419 ARG . 18808 2 49 420 PRO . 18808 2 50 421 VAL . 18808 2 51 422 ASP . 18808 2 52 423 GLY . 18808 2 53 424 VAL . 18808 2 54 425 GLU . 18808 2 55 426 VAL . 18808 2 56 427 PRO . 18808 2 57 428 GLY . 18808 2 58 429 CYS . 18808 2 59 430 GLY . 18808 2 60 431 LYS . 18808 2 61 432 ILE . 18808 2 62 433 PHE . 18808 2 63 434 VAL . 18808 2 64 435 GLU . 18808 2 65 436 PHE . 18808 2 66 437 THR . 18808 2 67 438 SER . 18808 2 68 439 VAL . 18808 2 69 440 PHE . 18808 2 70 441 ASP . 18808 2 71 442 CYS . 18808 2 72 443 GLN . 18808 2 73 444 LYS . 18808 2 74 445 ALA . 18808 2 75 446 MET . 18808 2 76 447 GLN . 18808 2 77 448 GLY . 18808 2 78 449 LEU . 18808 2 79 450 THR . 18808 2 80 451 GLY . 18808 2 81 452 ARG . 18808 2 82 453 LYS . 18808 2 83 454 PHE . 18808 2 84 455 ALA . 18808 2 85 456 ASN . 18808 2 86 457 ARG . 18808 2 87 458 VAL . 18808 2 88 459 VAL . 18808 2 89 460 VAL . 18808 2 90 461 THR . 18808 2 91 462 LYS . 18808 2 92 463 TYR . 18808 2 93 464 CYS . 18808 2 94 465 ASP . 18808 2 95 466 PRO . 18808 2 96 467 ASP . 18808 2 97 468 SER . 18808 2 98 469 TYR . 18808 2 99 470 HIS . 18808 2 100 471 ARG . 18808 2 101 472 ARG . 18808 2 102 473 ASP . 18808 2 103 474 PHE . 18808 2 104 475 TRP . 18808 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18808 2 . HIS 2 2 18808 2 . PRO 3 3 18808 2 . THR 4 4 18808 2 . GLU 5 5 18808 2 . VAL 6 6 18808 2 . LEU 7 7 18808 2 . CYS 8 8 18808 2 . LEU 9 9 18808 2 . MET 10 10 18808 2 . ASN 11 11 18808 2 . MET 12 12 18808 2 . VAL 13 13 18808 2 . LEU 14 14 18808 2 . PRO 15 15 18808 2 . GLU 16 16 18808 2 . GLU 17 17 18808 2 . LEU 18 18 18808 2 . LEU 19 19 18808 2 . ASP 20 20 18808 2 . ASP 21 21 18808 2 . GLU 22 22 18808 2 . GLU 23 23 18808 2 . TYR 24 24 18808 2 . GLU 25 25 18808 2 . GLU 26 26 18808 2 . ILE 27 27 18808 2 . VAL 28 28 18808 2 . GLU 29 29 18808 2 . ASP 30 30 18808 2 . VAL 31 31 18808 2 . ARG 32 32 18808 2 . ASP 33 33 18808 2 . GLU 34 34 18808 2 . CYS 35 35 18808 2 . SER 36 36 18808 2 . LYS 37 37 18808 2 . TYR 38 38 18808 2 . GLY 39 39 18808 2 . LEU 40 40 18808 2 . VAL 41 41 18808 2 . LYS 42 42 18808 2 . SER 43 43 18808 2 . ILE 44 44 18808 2 . GLU 45 45 18808 2 . ILE 46 46 18808 2 . PRO 47 47 18808 2 . ARG 48 48 18808 2 . PRO 49 49 18808 2 . VAL 50 50 18808 2 . ASP 51 51 18808 2 . GLY 52 52 18808 2 . VAL 53 53 18808 2 . GLU 54 54 18808 2 . VAL 55 55 18808 2 . PRO 56 56 18808 2 . GLY 57 57 18808 2 . CYS 58 58 18808 2 . GLY 59 59 18808 2 . LYS 60 60 18808 2 . ILE 61 61 18808 2 . PHE 62 62 18808 2 . VAL 63 63 18808 2 . GLU 64 64 18808 2 . PHE 65 65 18808 2 . THR 66 66 18808 2 . SER 67 67 18808 2 . VAL 68 68 18808 2 . PHE 69 69 18808 2 . ASP 70 70 18808 2 . CYS 71 71 18808 2 . GLN 72 72 18808 2 . LYS 73 73 18808 2 . ALA 74 74 18808 2 . MET 75 75 18808 2 . GLN 76 76 18808 2 . GLY 77 77 18808 2 . LEU 78 78 18808 2 . THR 79 79 18808 2 . GLY 80 80 18808 2 . ARG 81 81 18808 2 . LYS 82 82 18808 2 . PHE 83 83 18808 2 . ALA 84 84 18808 2 . ASN 85 85 18808 2 . ARG 86 86 18808 2 . VAL 87 87 18808 2 . VAL 88 88 18808 2 . VAL 89 89 18808 2 . THR 90 90 18808 2 . LYS 91 91 18808 2 . TYR 92 92 18808 2 . CYS 93 93 18808 2 . ASP 94 94 18808 2 . PRO 95 95 18808 2 . ASP 96 96 18808 2 . SER 97 97 18808 2 . TYR 98 98 18808 2 . HIS 99 99 18808 2 . ARG 100 100 18808 2 . ARG 101 101 18808 2 . ASP 102 102 18808 2 . PHE 103 103 18808 2 . TRP 104 104 18808 2 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 18808 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18808 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18808 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 18808 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . petM11 . . . . . . 18808 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . petM11 . . . . . . 18808 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18808 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20 mM sodium phosphate (pH 6.5), 50 mM NaCl, 0.1% sodium azide, 1mM DTT and 1 mM EDTA ; _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 entity [U-15N] 1 $assembly . . . . . 100 600 uM . . . . 18808 1 2 entity '[U-13C; U-15N]' 1 $assembly . . . . . 100 600 uM . . . . 18808 1 3 entity '[U-13C; U-15N; U-2H]' 1 $assembly . . . . . 100 600 uM . . . . 18808 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18808 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 18808 1 6 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 18808 1 7 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18808 1 8 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18808 1 9 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18808 1 10 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18808 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18808 _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' 70 . mM 18808 1 pH 6.5 . pH 18808 1 pressure 1 . atm 18808 1 temperature 298 . K 18808 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18808 _Software.ID 1 _Software.Name ARIA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18808 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18808 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18808 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18808 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18808 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18808 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18808 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18808 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18808 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18808 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18808 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18808 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18808 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18808 5 processing 18808 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 18808 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18808 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18808 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 18808 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 18808 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 18808 1 2 spectrometer_2 Bruker Avance . 750 . . . 18808 1 3 spectrometer_3 Bruker Avance . 600 . . . 18808 1 4 spectrometer_4 Bruker Avance . 500 . . . 18808 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 18808 _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 . . . . . . . . . . . . . . . . . . . . . 18808 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18808 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18808 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18808 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18808 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18808 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18808 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18808 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18808 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18808 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 18808 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18808 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18808 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18808 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 18808 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18808 1 2 '2D 1H-13C HSQC' . . . 18808 1 3 '2D 1H-1H NOESY' . . . 18808 1 4 '3D CBCA(CO)NH' . . . 18808 1 5 '3D HNCA' . . . 18808 1 6 '3D HNCACB' . . . 18808 1 7 '3D HCCH-TOCSY' . . . 18808 1 8 '3D 1H-15N NOESY' . . . 18808 1 9 '3D 1H-13C NOESY aliphatic' . . . 18808 1 10 '3D 1H-13C NOESY aromatic' . . . 18808 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 H H 1 8.502 0.005 . 1 . . . A 1 MET H1 . 18808 1 2 . 1 1 1 1 MET CA C 13 55.142 0.064 . 1 . . . A 1 MET CA . 18808 1 3 . 1 1 1 1 MET CB C 13 32.080 0.000 . 1 . . . A 1 MET CB . 18808 1 4 . 1 1 1 1 MET N N 15 120.592 0.034 . 1 . . . A 1 MET N . 18808 1 5 . 1 1 3 3 THR H H 1 8.283 0.005 . 1 . . . A 3 THR H . 18808 1 6 . 1 1 3 3 THR HA H 1 4.220 0.000 . 1 . . . A 3 THR HA . 18808 1 7 . 1 1 3 3 THR HB H 1 4.200 0.000 . 1 . . . A 3 THR HB . 18808 1 8 . 1 1 3 3 THR CA C 13 61.481 0.087 . 1 . . . A 3 THR CA . 18808 1 9 . 1 1 3 3 THR CB C 13 69.427 0.034 . 1 . . . A 3 THR CB . 18808 1 10 . 1 1 3 3 THR N N 15 118.281 0.043 . 1 . . . A 3 THR N . 18808 1 11 . 1 1 4 4 GLY H H 1 8.445 0.002 . 1 . . . A 4 GLY H . 18808 1 12 . 1 1 4 4 GLY CA C 13 44.811 0.040 . 1 . . . A 4 GLY CA . 18808 1 13 . 1 1 4 4 GLY N N 15 111.418 0.051 . 1 . . . A 4 GLY N . 18808 1 14 . 1 1 5 5 ALA H H 1 8.229 0.004 . 1 . . . A 5 ALA H . 18808 1 15 . 1 1 5 5 ALA HA H 1 4.324 0.030 . 1 . . . A 5 ALA HA . 18808 1 16 . 1 1 5 5 ALA HB1 H 1 1.376 0.000 . 1 . . . A 5 ALA HB1 . 18808 1 17 . 1 1 5 5 ALA HB2 H 1 1.376 0.000 . 1 . . . A 5 ALA HB2 . 18808 1 18 . 1 1 5 5 ALA HB3 H 1 1.376 0.000 . 1 . . . A 5 ALA HB3 . 18808 1 19 . 1 1 5 5 ALA CA C 13 52.237 0.104 . 1 . . . A 5 ALA CA . 18808 1 20 . 1 1 5 5 ALA CB C 13 18.688 0.317 . 1 . . . A 5 ALA CB . 18808 1 21 . 1 1 5 5 ALA N N 15 123.764 0.070 . 1 . . . A 5 ALA N . 18808 1 22 . 1 1 6 6 ASN H H 1 8.426 0.003 . 1 . . . A 6 ASN H . 18808 1 23 . 1 1 6 6 ASN HA H 1 4.672 0.000 . 1 . . . A 6 ASN HA . 18808 1 24 . 1 1 6 6 ASN CA C 13 52.760 0.097 . 1 . . . A 6 ASN CA . 18808 1 25 . 1 1 6 6 ASN CB C 13 38.294 0.013 . 1 . . . A 6 ASN CB . 18808 1 26 . 1 1 6 6 ASN N N 15 117.534 0.020 . 1 . . . A 6 ASN N . 18808 1 27 . 1 1 7 7 ALA H H 1 8.171 0.007 . 1 . . . A 7 ALA H . 18808 1 28 . 1 1 7 7 ALA HA H 1 4.375 0.022 . 1 . . . A 7 ALA HA . 18808 1 29 . 1 1 7 7 ALA HB1 H 1 1.387 0.000 . 1 . . . A 7 ALA HB1 . 18808 1 30 . 1 1 7 7 ALA HB2 H 1 1.387 0.000 . 1 . . . A 7 ALA HB2 . 18808 1 31 . 1 1 7 7 ALA HB3 H 1 1.387 0.000 . 1 . . . A 7 ALA HB3 . 18808 1 32 . 1 1 7 7 ALA CA C 13 52.033 0.082 . 1 . . . A 7 ALA CA . 18808 1 33 . 1 1 7 7 ALA CB C 13 18.611 0.133 . 1 . . . A 7 ALA CB . 18808 1 34 . 1 1 7 7 ALA N N 15 124.230 0.047 . 1 . . . A 7 ALA N . 18808 1 35 . 1 1 8 8 THR H H 1 8.211 0.005 . 1 . . . A 8 THR H . 18808 1 36 . 1 1 8 8 THR HA H 1 4.613 0.027 . 1 . . . A 8 THR HA . 18808 1 37 . 1 1 8 8 THR HB H 1 4.168 0.012 . 1 . . . A 8 THR HB . 18808 1 38 . 1 1 8 8 THR HG21 H 1 1.266 0.000 . 1 . . . A 8 THR HG21 . 18808 1 39 . 1 1 8 8 THR HG22 H 1 1.266 0.000 . 1 . . . A 8 THR HG22 . 18808 1 40 . 1 1 8 8 THR HG23 H 1 1.266 0.000 . 1 . . . A 8 THR HG23 . 18808 1 41 . 1 1 8 8 THR CA C 13 59.445 0.090 . 1 . . . A 8 THR CA . 18808 1 42 . 1 1 8 8 THR CB C 13 69.200 0.094 . 1 . . . A 8 THR CB . 18808 1 43 . 1 1 8 8 THR N N 15 116.291 0.086 . 1 . . . A 8 THR N . 18808 1 44 . 1 1 9 9 PRO CA C 13 62.885 0.015 . 1 . . . A 9 PRO CA . 18808 1 45 . 1 1 9 9 PRO CB C 13 31.241 0.000 . 1 . . . A 9 PRO CB . 18808 1 46 . 1 1 10 10 LEU H H 1 8.245 0.004 . 1 . . . A 10 LEU H . 18808 1 47 . 1 1 10 10 LEU HA H 1 4.257 0.000 . 1 . . . A 10 LEU HA . 18808 1 48 . 1 1 10 10 LEU HD21 H 1 0.925 0.003 . 1 . . . A 10 LEU HD21 . 18808 1 49 . 1 1 10 10 LEU HD22 H 1 0.925 0.003 . 1 . . . A 10 LEU HD22 . 18808 1 50 . 1 1 10 10 LEU HD23 H 1 0.925 0.003 . 1 . . . A 10 LEU HD23 . 18808 1 51 . 1 1 10 10 LEU CA C 13 54.751 0.064 . 1 . . . A 10 LEU CA . 18808 1 52 . 1 1 10 10 LEU CD2 C 13 24.580 0.040 . 1 . . . A 10 LEU CD2 . 18808 1 53 . 1 1 10 10 LEU N N 15 121.874 0.055 . 1 . . . A 10 LEU N . 18808 1 54 . 1 1 11 11 ASP H H 1 8.091 0.005 . 1 . . . A 11 ASP H . 18808 1 55 . 1 1 11 11 ASP CA C 13 53.652 0.066 . 1 . . . A 11 ASP CA . 18808 1 56 . 1 1 11 11 ASP CB C 13 40.760 0.014 . 1 . . . A 11 ASP CB . 18808 1 57 . 1 1 11 11 ASP N N 15 120.266 0.024 . 1 . . . A 11 ASP N . 18808 1 58 . 1 1 12 12 PHE H H 1 8.058 0.005 . 1 . . . A 12 PHE H . 18808 1 59 . 1 1 12 12 PHE CA C 13 55.502 0.041 . 1 . . . A 12 PHE CA . 18808 1 60 . 1 1 12 12 PHE CB C 13 38.370 0.000 . 1 . . . A 12 PHE CB . 18808 1 61 . 1 1 12 12 PHE N N 15 121.243 0.031 . 1 . . . A 12 PHE N . 18808 1 62 . 1 1 13 13 PRO CA C 13 63.035 0.000 . 1 . . . A 13 PRO CA . 18808 1 63 . 1 1 13 13 PRO CB C 13 31.024 0.000 . 1 . . . A 13 PRO CB . 18808 1 64 . 1 1 14 14 SER H H 1 8.301 0.003 . 1 . . . A 14 SER H . 18808 1 65 . 1 1 14 14 SER CA C 13 58.010 0.035 . 1 . . . A 14 SER CA . 18808 1 66 . 1 1 14 14 SER CB C 13 63.227 0.023 . 1 . . . A 14 SER CB . 18808 1 67 . 1 1 14 14 SER N N 15 115.993 0.037 . 1 . . . A 14 SER N . 18808 1 68 . 1 1 15 15 LYS H H 1 8.319 0.005 . 1 . . . A 15 LYS H . 18808 1 69 . 1 1 15 15 LYS CA C 13 55.871 0.001 . 1 . . . A 15 LYS CA . 18808 1 70 . 1 1 15 15 LYS CB C 13 32.035 0.000 . 1 . . . A 15 LYS CB . 18808 1 71 . 1 1 15 15 LYS N N 15 123.610 0.040 . 1 . . . A 15 LYS N . 18808 1 72 . 1 1 18 18 LYS CB C 13 32.178 0.000 . 1 . . . A 18 LYS CB . 18808 1 73 . 1 1 19 19 ARG H H 1 8.327 0.004 . 1 . . . A 19 ARG H . 18808 1 74 . 1 1 19 19 ARG CA C 13 55.272 0.048 . 1 . . . A 19 ARG CA . 18808 1 75 . 1 1 19 19 ARG CB C 13 30.231 0.013 . 1 . . . A 19 ARG CB . 18808 1 76 . 1 1 19 19 ARG N N 15 121.722 0.023 . 1 . . . A 19 ARG N . 18808 1 77 . 1 1 20 20 SER H H 1 8.455 0.002 . 1 . . . A 20 SER H . 18808 1 78 . 1 1 20 20 SER CA C 13 56.632 0.031 . 1 . . . A 20 SER CA . 18808 1 79 . 1 1 20 20 SER CB C 13 63.767 0.014 . 1 . . . A 20 SER CB . 18808 1 80 . 1 1 20 20 SER N N 15 116.915 0.034 . 1 . . . A 20 SER N . 18808 1 81 . 1 1 21 21 ARG H H 1 10.106 0.016 . 1 . . . A 21 ARG H . 18808 1 82 . 1 1 21 21 ARG CA C 13 56.363 0.000 . 1 . . . A 21 ARG CA . 18808 1 83 . 1 1 21 21 ARG CB C 13 27.800 0.000 . 1 . . . A 21 ARG CB . 18808 1 84 . 1 1 21 21 ARG N N 15 128.321 0.049 . 1 . . . A 21 ARG N . 18808 1 85 . 1 1 22 22 TRP H H 1 8.077 0.011 . 1 . . . A 22 TRP H . 18808 1 86 . 1 1 22 22 TRP HE1 H 1 9.200 0.014 . 1 . . . A 22 TRP HE1 . 18808 1 87 . 1 1 22 22 TRP CA C 13 57.297 0.003 . 1 . . . A 22 TRP CA . 18808 1 88 . 1 1 22 22 TRP CB C 13 28.494 0.013 . 1 . . . A 22 TRP CB . 18808 1 89 . 1 1 22 22 TRP N N 15 122.075 0.046 . 1 . . . A 22 TRP N . 18808 1 90 . 1 1 22 22 TRP NE1 N 15 127.695 0.057 . 1 . . . A 22 TRP NE1 . 18808 1 91 . 1 1 23 23 ASN H H 1 8.817 0.004 . 1 . . . A 23 ASN H . 18808 1 92 . 1 1 23 23 ASN HD21 H 1 7.181 0.005 . 1 . . . A 23 ASN HD21 . 18808 1 93 . 1 1 23 23 ASN HD22 H 1 7.836 0.004 . 1 . . . A 23 ASN HD22 . 18808 1 94 . 1 1 23 23 ASN CA C 13 53.861 0.074 . 1 . . . A 23 ASN CA . 18808 1 95 . 1 1 23 23 ASN CB C 13 38.205 0.021 . 1 . . . A 23 ASN CB . 18808 1 96 . 1 1 23 23 ASN N N 15 122.985 0.029 . 1 . . . A 23 ASN N . 18808 1 97 . 1 1 23 23 ASN ND2 N 15 114.806 0.153 . 1 . . . A 23 ASN ND2 . 18808 1 98 . 1 1 24 24 GLN H H 1 8.795 0.004 . 1 . . . A 24 GLN H . 18808 1 99 . 1 1 24 24 GLN CA C 13 55.338 0.034 . 1 . . . A 24 GLN CA . 18808 1 100 . 1 1 24 24 GLN CB C 13 28.621 0.042 . 1 . . . A 24 GLN CB . 18808 1 101 . 1 1 24 24 GLN N N 15 122.244 0.050 . 1 . . . A 24 GLN N . 18808 1 102 . 1 1 25 25 ASP H H 1 8.612 0.007 . 1 . . . A 25 ASP H . 18808 1 103 . 1 1 25 25 ASP CA C 13 53.994 0.049 . 1 . . . A 25 ASP CA . 18808 1 104 . 1 1 25 25 ASP CB C 13 40.463 0.001 . 1 . . . A 25 ASP CB . 18808 1 105 . 1 1 25 25 ASP N N 15 122.220 0.042 . 1 . . . A 25 ASP N . 18808 1 106 . 1 1 26 26 THR H H 1 8.158 0.012 . 1 . . . A 26 THR H . 18808 1 107 . 1 1 26 26 THR CA C 13 61.524 0.009 . 1 . . . A 26 THR CA . 18808 1 108 . 1 1 26 26 THR CB C 13 69.198 0.013 . 1 . . . A 26 THR CB . 18808 1 109 . 1 1 26 26 THR N N 15 114.228 0.040 . 1 . . . A 26 THR N . 18808 1 110 . 1 1 27 27 MET H H 1 8.438 0.005 . 1 . . . A 27 MET H . 18808 1 111 . 1 1 27 27 MET CA C 13 55.546 0.000 . 1 . . . A 27 MET CA . 18808 1 112 . 1 1 27 27 MET CB C 13 31.644 0.000 . 1 . . . A 27 MET CB . 18808 1 113 . 1 1 27 27 MET N N 15 121.829 0.035 . 1 . . . A 27 MET N . 18808 1 114 . 1 1 29 29 GLN HE21 H 1 6.872 0.000 . 1 . . . A 29 GLN HE21 . 18808 1 115 . 1 1 29 29 GLN HE22 H 1 7.567 0.010 . 1 . . . A 29 GLN HE22 . 18808 1 116 . 1 1 29 29 GLN NE2 N 15 112.774 0.182 . 1 . . . A 29 GLN NE2 . 18808 1 117 . 1 1 30 30 LYS CA C 13 55.776 0.000 . 1 . . . A 30 LYS CA . 18808 1 118 . 1 1 30 30 LYS CB C 13 32.174 0.000 . 1 . . . A 30 LYS CB . 18808 1 119 . 1 1 31 31 THR H H 1 8.214 0.005 . 1 . . . A 31 THR H . 18808 1 120 . 1 1 31 31 THR HB H 1 4.087 0.000 . 1 . . . A 31 THR HB . 18808 1 121 . 1 1 31 31 THR HG21 H 1 1.195 0.000 . 1 . . . A 31 THR HG21 . 18808 1 122 . 1 1 31 31 THR HG22 H 1 1.195 0.000 . 1 . . . A 31 THR HG22 . 18808 1 123 . 1 1 31 31 THR HG23 H 1 1.195 0.000 . 1 . . . A 31 THR HG23 . 18808 1 124 . 1 1 31 31 THR CA C 13 61.760 0.102 . 1 . . . A 31 THR CA . 18808 1 125 . 1 1 31 31 THR CB C 13 69.262 0.026 . 1 . . . A 31 THR CB . 18808 1 126 . 1 1 31 31 THR N N 15 116.696 0.093 . 1 . . . A 31 THR N . 18808 1 127 . 1 1 32 32 VAL H H 1 8.262 0.020 . 1 . . . A 32 VAL H . 18808 1 128 . 1 1 32 32 VAL HG11 H 1 0.905 0.015 . 1 . . . A 32 VAL HG11 . 18808 1 129 . 1 1 32 32 VAL HG12 H 1 0.905 0.015 . 1 . . . A 32 VAL HG12 . 18808 1 130 . 1 1 32 32 VAL HG13 H 1 0.905 0.015 . 1 . . . A 32 VAL HG13 . 18808 1 131 . 1 1 32 32 VAL HG21 H 1 0.863 0.000 . 1 . . . A 32 VAL HG21 . 18808 1 132 . 1 1 32 32 VAL HG22 H 1 0.863 0.000 . 1 . . . A 32 VAL HG22 . 18808 1 133 . 1 1 32 32 VAL HG23 H 1 0.863 0.000 . 1 . . . A 32 VAL HG23 . 18808 1 134 . 1 1 32 32 VAL CA C 13 61.964 0.067 . 1 . . . A 32 VAL CA . 18808 1 135 . 1 1 32 32 VAL CG1 C 13 20.361 0.003 . 1 . . . A 32 VAL CG1 . 18808 1 136 . 1 1 32 32 VAL CG2 C 13 20.761 0.011 . 1 . . . A 32 VAL CG2 . 18808 1 137 . 1 1 32 32 VAL N N 15 124.581 0.182 . 1 . . . A 32 VAL N . 18808 1 138 . 1 1 33 33 ILE H H 1 8.606 0.019 . 1 . . . A 33 ILE H . 18808 1 139 . 1 1 33 33 ILE HD11 H 1 0.839 0.002 . 1 . . . A 33 ILE HD11 . 18808 1 140 . 1 1 33 33 ILE HD12 H 1 0.839 0.002 . 1 . . . A 33 ILE HD12 . 18808 1 141 . 1 1 33 33 ILE HD13 H 1 0.839 0.002 . 1 . . . A 33 ILE HD13 . 18808 1 142 . 1 1 33 33 ILE CA C 13 57.573 0.050 . 1 . . . A 33 ILE CA . 18808 1 143 . 1 1 33 33 ILE CD1 C 13 12.154 0.000 . 1 . . . A 33 ILE CD1 . 18808 1 144 . 1 1 33 33 ILE N N 15 128.095 0.047 . 1 . . . A 33 ILE N . 18808 1 145 . 1 1 34 34 PRO CA C 13 63.255 0.026 . 1 . . . A 34 PRO CA . 18808 1 146 . 1 1 34 34 PRO CB C 13 31.086 0.000 . 1 . . . A 34 PRO CB . 18808 1 147 . 1 1 35 35 GLY H H 1 8.468 0.017 . 1 . . . A 35 GLY H . 18808 1 148 . 1 1 35 35 GLY CA C 13 44.668 0.015 . 1 . . . A 35 GLY CA . 18808 1 149 . 1 1 35 35 GLY N N 15 110.169 0.204 . 1 . . . A 35 GLY N . 18808 1 150 . 1 1 36 36 MET H H 1 8.235 0.005 . 1 . . . A 36 MET H . 18808 1 151 . 1 1 36 36 MET HA H 1 4.833 0.000 . 1 . . . A 36 MET HA . 18808 1 152 . 1 1 36 36 MET CA C 13 52.739 0.000 . 1 . . . A 36 MET CA . 18808 1 153 . 1 1 36 36 MET CB C 13 32.162 0.000 . 1 . . . A 36 MET CB . 18808 1 154 . 1 1 36 36 MET N N 15 121.185 0.086 . 1 . . . A 36 MET N . 18808 1 155 . 1 1 38 38 THR H H 1 8.286 0.001 . 1 . . . A 38 THR H . 18808 1 156 . 1 1 38 38 THR N N 15 113.487 0.024 . 1 . . . A 38 THR N . 18808 1 157 . 1 1 39 39 VAL HG11 H 1 0.821 0.009 . 1 . . . A 39 VAL HG11 . 18808 1 158 . 1 1 39 39 VAL HG12 H 1 0.821 0.009 . 1 . . . A 39 VAL HG12 . 18808 1 159 . 1 1 39 39 VAL HG13 H 1 0.821 0.009 . 1 . . . A 39 VAL HG13 . 18808 1 160 . 1 1 39 39 VAL HG21 H 1 0.862 0.000 . 1 . . . A 39 VAL HG21 . 18808 1 161 . 1 1 39 39 VAL HG22 H 1 0.862 0.000 . 1 . . . A 39 VAL HG22 . 18808 1 162 . 1 1 39 39 VAL HG23 H 1 0.862 0.000 . 1 . . . A 39 VAL HG23 . 18808 1 163 . 1 1 39 39 VAL CA C 13 61.780 0.000 . 1 . . . A 39 VAL CA . 18808 1 164 . 1 1 39 39 VAL CG1 C 13 20.565 0.000 . 1 . . . A 39 VAL CG1 . 18808 1 165 . 1 1 39 39 VAL CG2 C 13 20.749 0.000 . 1 . . . A 39 VAL CG2 . 18808 1 166 . 1 1 40 40 ILE H H 1 8.254 0.046 . 1 . . . A 40 ILE H . 18808 1 167 . 1 1 40 40 ILE HD11 H 1 0.717 0.010 . 1 . . . A 40 ILE HD11 . 18808 1 168 . 1 1 40 40 ILE HD12 H 1 0.717 0.010 . 1 . . . A 40 ILE HD12 . 18808 1 169 . 1 1 40 40 ILE HD13 H 1 0.717 0.010 . 1 . . . A 40 ILE HD13 . 18808 1 170 . 1 1 40 40 ILE CB C 13 36.993 0.000 . 1 . . . A 40 ILE CB . 18808 1 171 . 1 1 40 40 ILE CD1 C 13 11.589 0.073 . 1 . . . A 40 ILE CD1 . 18808 1 172 . 1 1 40 40 ILE N N 15 127.358 0.096 . 1 . . . A 40 ILE N . 18808 1 173 . 1 1 42 42 PRO CA C 13 62.198 0.042 . 1 . . . A 42 PRO CA . 18808 1 174 . 1 1 42 42 PRO CB C 13 31.440 0.000 . 1 . . . A 42 PRO CB . 18808 1 175 . 1 1 43 43 GLY H H 1 8.405 0.007 . 1 . . . A 43 GLY H . 18808 1 176 . 1 1 43 43 GLY CA C 13 45.443 0.034 . 1 . . . A 43 GLY CA . 18808 1 177 . 1 1 43 43 GLY N N 15 107.143 0.042 . 1 . . . A 43 GLY N . 18808 1 178 . 1 1 44 44 LEU H H 1 8.148 0.007 . 1 . . . A 44 LEU H . 18808 1 179 . 1 1 44 44 LEU HD11 H 1 0.716 0.024 . 1 . . . A 44 LEU HD11 . 18808 1 180 . 1 1 44 44 LEU HD12 H 1 0.716 0.024 . 1 . . . A 44 LEU HD12 . 18808 1 181 . 1 1 44 44 LEU HD13 H 1 0.716 0.024 . 1 . . . A 44 LEU HD13 . 18808 1 182 . 1 1 44 44 LEU HD21 H 1 0.649 0.001 . 1 . . . A 44 LEU HD21 . 18808 1 183 . 1 1 44 44 LEU HD22 H 1 0.649 0.001 . 1 . . . A 44 LEU HD22 . 18808 1 184 . 1 1 44 44 LEU HD23 H 1 0.649 0.001 . 1 . . . A 44 LEU HD23 . 18808 1 185 . 1 1 44 44 LEU CA C 13 54.142 0.016 . 1 . . . A 44 LEU CA . 18808 1 186 . 1 1 44 44 LEU CD1 C 13 21.606 0.035 . 1 . . . A 44 LEU CD1 . 18808 1 187 . 1 1 44 44 LEU CD2 C 13 25.259 0.012 . 1 . . . A 44 LEU CD2 . 18808 1 188 . 1 1 44 44 LEU N N 15 120.813 0.023 . 1 . . . A 44 LEU N . 18808 1 189 . 1 1 45 45 THR H H 1 8.571 0.007 . 1 . . . A 45 THR H . 18808 1 190 . 1 1 45 45 THR HB H 1 4.711 0.000 . 1 . . . A 45 THR HB . 18808 1 191 . 1 1 45 45 THR HG21 H 1 1.297 0.006 . 1 . . . A 45 THR HG21 . 18808 1 192 . 1 1 45 45 THR HG22 H 1 1.297 0.006 . 1 . . . A 45 THR HG22 . 18808 1 193 . 1 1 45 45 THR HG23 H 1 1.297 0.006 . 1 . . . A 45 THR HG23 . 18808 1 194 . 1 1 45 45 THR CA C 13 60.668 0.051 . 1 . . . A 45 THR CA . 18808 1 195 . 1 1 45 45 THR CB C 13 70.540 0.056 . 1 . . . A 45 THR CB . 18808 1 196 . 1 1 45 45 THR CG2 C 13 20.896 0.049 . 1 . . . A 45 THR CG2 . 18808 1 197 . 1 1 45 45 THR N N 15 113.080 0.032 . 1 . . . A 45 THR N . 18808 1 198 . 1 1 46 46 ARG H H 1 8.814 0.007 . 1 . . . A 46 ARG H . 18808 1 199 . 1 1 46 46 ARG CA C 13 59.422 0.073 . 1 . . . A 46 ARG CA . 18808 1 200 . 1 1 46 46 ARG CB C 13 28.617 0.000 . 1 . . . A 46 ARG CB . 18808 1 201 . 1 1 46 46 ARG N N 15 120.920 0.026 . 1 . . . A 46 ARG N . 18808 1 202 . 1 1 47 47 GLU H H 1 8.836 0.022 . 1 . . . A 47 GLU H . 18808 1 203 . 1 1 47 47 GLU CA C 13 59.797 0.023 . 1 . . . A 47 GLU CA . 18808 1 204 . 1 1 47 47 GLU CB C 13 28.200 0.000 . 1 . . . A 47 GLU CB . 18808 1 205 . 1 1 47 47 GLU N N 15 119.131 0.026 . 1 . . . A 47 GLU N . 18808 1 206 . 1 1 48 48 GLN H H 1 7.758 0.011 . 1 . . . A 48 GLN H . 18808 1 207 . 1 1 48 48 GLN HE21 H 1 6.799 0.009 . 1 . . . A 48 GLN HE21 . 18808 1 208 . 1 1 48 48 GLN HE22 H 1 7.548 0.012 . 1 . . . A 48 GLN HE22 . 18808 1 209 . 1 1 48 48 GLN CA C 13 57.803 0.069 . 1 . . . A 48 GLN CA . 18808 1 210 . 1 1 48 48 GLN CB C 13 28.555 0.000 . 1 . . . A 48 GLN CB . 18808 1 211 . 1 1 48 48 GLN CG C 13 33.608 0.000 . 1 . . . A 48 GLN CG . 18808 1 212 . 1 1 48 48 GLN N N 15 119.702 0.058 . 1 . . . A 48 GLN N . 18808 1 213 . 1 1 48 48 GLN NE2 N 15 110.743 0.192 . 1 . . . A 48 GLN NE2 . 18808 1 214 . 1 1 49 49 GLU H H 1 8.885 0.023 . 1 . . . A 49 GLU H . 18808 1 215 . 1 1 49 49 GLU CA C 13 59.663 0.022 . 1 . . . A 49 GLU CA . 18808 1 216 . 1 1 49 49 GLU CB C 13 28.792 0.000 . 1 . . . A 49 GLU CB . 18808 1 217 . 1 1 49 49 GLU N N 15 122.252 0.071 . 1 . . . A 49 GLU N . 18808 1 218 . 1 1 50 50 ARG H H 1 7.925 0.014 . 1 . . . A 50 ARG H . 18808 1 219 . 1 1 50 50 ARG CA C 13 57.785 0.029 . 1 . . . A 50 ARG CA . 18808 1 220 . 1 1 50 50 ARG CB C 13 27.889 0.057 . 1 . . . A 50 ARG CB . 18808 1 221 . 1 1 50 50 ARG N N 15 118.823 0.069 . 1 . . . A 50 ARG N . 18808 1 222 . 1 1 51 51 ALA H H 1 7.978 0.005 . 1 . . . A 51 ALA H . 18808 1 223 . 1 1 51 51 ALA HB1 H 1 1.451 0.000 . 1 . . . A 51 ALA HB1 . 18808 1 224 . 1 1 51 51 ALA HB2 H 1 1.451 0.000 . 1 . . . A 51 ALA HB2 . 18808 1 225 . 1 1 51 51 ALA HB3 H 1 1.451 0.000 . 1 . . . A 51 ALA HB3 . 18808 1 226 . 1 1 51 51 ALA CA C 13 54.557 0.015 . 1 . . . A 51 ALA CA . 18808 1 227 . 1 1 51 51 ALA CB C 13 17.465 0.198 . 1 . . . A 51 ALA CB . 18808 1 228 . 1 1 51 51 ALA N N 15 119.205 0.079 . 1 . . . A 51 ALA N . 18808 1 229 . 1 1 52 52 TYR H H 1 7.976 0.000 . 1 . . . A 52 TYR H . 18808 1 230 . 1 1 52 52 TYR CA C 13 61.401 0.000 . 1 . . . A 52 TYR CA . 18808 1 231 . 1 1 52 52 TYR N N 15 119.802 0.000 . 1 . . . A 52 TYR N . 18808 1 232 . 1 1 53 53 ILE H H 1 7.934 0.008 . 1 . . . A 53 ILE H . 18808 1 233 . 1 1 53 53 ILE HG21 H 1 0.945 0.008 . 1 . . . A 53 ILE HG21 . 18808 1 234 . 1 1 53 53 ILE HG22 H 1 0.945 0.008 . 1 . . . A 53 ILE HG22 . 18808 1 235 . 1 1 53 53 ILE HG23 H 1 0.945 0.008 . 1 . . . A 53 ILE HG23 . 18808 1 236 . 1 1 53 53 ILE HD11 H 1 0.952 0.015 . 1 . . . A 53 ILE HD11 . 18808 1 237 . 1 1 53 53 ILE HD12 H 1 0.952 0.015 . 1 . . . A 53 ILE HD12 . 18808 1 238 . 1 1 53 53 ILE HD13 H 1 0.952 0.015 . 1 . . . A 53 ILE HD13 . 18808 1 239 . 1 1 53 53 ILE CA C 13 63.981 0.049 . 1 . . . A 53 ILE CA . 18808 1 240 . 1 1 53 53 ILE CB C 13 37.334 0.000 . 1 . . . A 53 ILE CB . 18808 1 241 . 1 1 53 53 ILE CG2 C 13 16.779 0.000 . 1 . . . A 53 ILE CG2 . 18808 1 242 . 1 1 53 53 ILE CD1 C 13 13.406 0.206 . 1 . . . A 53 ILE CD1 . 18808 1 243 . 1 1 53 53 ILE N N 15 118.566 0.053 . 1 . . . A 53 ILE N . 18808 1 244 . 1 1 54 54 VAL H H 1 8.563 0.006 . 1 . . . A 54 VAL H . 18808 1 245 . 1 1 54 54 VAL HA H 1 3.531 0.000 . 1 . . . A 54 VAL HA . 18808 1 246 . 1 1 54 54 VAL HG11 H 1 0.884 0.007 . 1 . . . A 54 VAL HG11 . 18808 1 247 . 1 1 54 54 VAL HG12 H 1 0.884 0.007 . 1 . . . A 54 VAL HG12 . 18808 1 248 . 1 1 54 54 VAL HG13 H 1 0.884 0.007 . 1 . . . A 54 VAL HG13 . 18808 1 249 . 1 1 54 54 VAL HG21 H 1 0.811 0.003 . 1 . . . A 54 VAL HG21 . 18808 1 250 . 1 1 54 54 VAL HG22 H 1 0.811 0.003 . 1 . . . A 54 VAL HG22 . 18808 1 251 . 1 1 54 54 VAL HG23 H 1 0.811 0.003 . 1 . . . A 54 VAL HG23 . 18808 1 252 . 1 1 54 54 VAL CA C 13 66.363 0.000 . 1 . . . A 54 VAL CA . 18808 1 253 . 1 1 54 54 VAL CG1 C 13 22.954 0.075 . 1 . . . A 54 VAL CG1 . 18808 1 254 . 1 1 54 54 VAL CG2 C 13 23.325 0.004 . 1 . . . A 54 VAL CG2 . 18808 1 255 . 1 1 54 54 VAL N N 15 121.327 0.029 . 1 . . . A 54 VAL N . 18808 1 256 . 1 1 55 55 GLN H H 1 8.207 0.015 . 1 . . . A 55 GLN H . 18808 1 257 . 1 1 55 55 GLN HE21 H 1 6.920 0.008 . 1 . . . A 55 GLN HE21 . 18808 1 258 . 1 1 55 55 GLN HE22 H 1 7.409 0.005 . 1 . . . A 55 GLN HE22 . 18808 1 259 . 1 1 55 55 GLN CA C 13 59.584 0.065 . 1 . . . A 55 GLN CA . 18808 1 260 . 1 1 55 55 GLN CB C 13 27.312 0.000 . 1 . . . A 55 GLN CB . 18808 1 261 . 1 1 55 55 GLN CG C 13 33.746 0.039 . 1 . . . A 55 GLN CG . 18808 1 262 . 1 1 55 55 GLN N N 15 119.475 0.039 . 1 . . . A 55 GLN N . 18808 1 263 . 1 1 55 55 GLN NE2 N 15 111.039 0.207 . 1 . . . A 55 GLN NE2 . 18808 1 264 . 1 1 56 56 LEU H H 1 7.780 0.014 . 1 . . . A 56 LEU H . 18808 1 265 . 1 1 56 56 LEU HD11 H 1 0.765 0.002 . 1 . . . A 56 LEU HD11 . 18808 1 266 . 1 1 56 56 LEU HD12 H 1 0.765 0.002 . 1 . . . A 56 LEU HD12 . 18808 1 267 . 1 1 56 56 LEU HD13 H 1 0.765 0.002 . 1 . . . A 56 LEU HD13 . 18808 1 268 . 1 1 56 56 LEU HD21 H 1 0.796 0.008 . 1 . . . A 56 LEU HD21 . 18808 1 269 . 1 1 56 56 LEU HD22 H 1 0.796 0.008 . 1 . . . A 56 LEU HD22 . 18808 1 270 . 1 1 56 56 LEU HD23 H 1 0.796 0.008 . 1 . . . A 56 LEU HD23 . 18808 1 271 . 1 1 56 56 LEU CD1 C 13 23.595 0.081 . 1 . . . A 56 LEU CD1 . 18808 1 272 . 1 1 56 56 LEU CD2 C 13 26.402 0.166 . 1 . . . A 56 LEU CD2 . 18808 1 273 . 1 1 56 56 LEU N N 15 120.914 0.073 . 1 . . . A 56 LEU N . 18808 1 274 . 1 1 57 57 GLN H H 1 8.363 0.004 . 1 . . . A 57 GLN H . 18808 1 275 . 1 1 57 57 GLN HE21 H 1 6.603 0.012 . 1 . . . A 57 GLN HE21 . 18808 1 276 . 1 1 57 57 GLN HE22 H 1 7.162 0.007 . 1 . . . A 57 GLN HE22 . 18808 1 277 . 1 1 57 57 GLN CA C 13 58.722 0.000 . 1 . . . A 57 GLN CA . 18808 1 278 . 1 1 57 57 GLN N N 15 122.652 0.025 . 1 . . . A 57 GLN N . 18808 1 279 . 1 1 57 57 GLN NE2 N 15 108.878 0.159 . 1 . . . A 57 GLN NE2 . 18808 1 280 . 1 1 58 58 ILE H H 1 8.876 0.009 . 1 . . . A 58 ILE H . 18808 1 281 . 1 1 58 58 ILE HD11 H 1 0.543 0.006 . 1 . . . A 58 ILE HD11 . 18808 1 282 . 1 1 58 58 ILE HD12 H 1 0.543 0.006 . 1 . . . A 58 ILE HD12 . 18808 1 283 . 1 1 58 58 ILE HD13 H 1 0.543 0.006 . 1 . . . A 58 ILE HD13 . 18808 1 284 . 1 1 58 58 ILE CA C 13 66.631 0.068 . 1 . . . A 58 ILE CA . 18808 1 285 . 1 1 58 58 ILE CD1 C 13 14.692 0.052 . 1 . . . A 58 ILE CD1 . 18808 1 286 . 1 1 58 58 ILE N N 15 120.955 0.057 . 1 . . . A 58 ILE N . 18808 1 287 . 1 1 59 59 GLU H H 1 8.365 0.001 . 1 . . . A 59 GLU H . 18808 1 288 . 1 1 59 59 GLU CA C 13 59.308 0.061 . 1 . . . A 59 GLU CA . 18808 1 289 . 1 1 59 59 GLU CB C 13 29.193 0.000 . 1 . . . A 59 GLU CB . 18808 1 290 . 1 1 59 59 GLU N N 15 122.355 0.084 . 1 . . . A 59 GLU N . 18808 1 291 . 1 1 61 61 LEU HD11 H 1 0.985 0.007 . 1 . . . A 61 LEU HD11 . 18808 1 292 . 1 1 61 61 LEU HD12 H 1 0.985 0.007 . 1 . . . A 61 LEU HD12 . 18808 1 293 . 1 1 61 61 LEU HD13 H 1 0.985 0.007 . 1 . . . A 61 LEU HD13 . 18808 1 294 . 1 1 61 61 LEU HD21 H 1 0.880 0.014 . 1 . . . A 61 LEU HD21 . 18808 1 295 . 1 1 61 61 LEU HD22 H 1 0.880 0.014 . 1 . . . A 61 LEU HD22 . 18808 1 296 . 1 1 61 61 LEU HD23 H 1 0.880 0.014 . 1 . . . A 61 LEU HD23 . 18808 1 297 . 1 1 61 61 LEU CA C 13 57.885 0.081 . 1 . . . A 61 LEU CA . 18808 1 298 . 1 1 61 61 LEU CD1 C 13 23.680 0.023 . 1 . . . A 61 LEU CD1 . 18808 1 299 . 1 1 61 61 LEU CD2 C 13 25.892 0.062 . 1 . . . A 61 LEU CD2 . 18808 1 300 . 1 1 62 62 THR H H 1 8.417 0.006 . 1 . . . A 62 THR H . 18808 1 301 . 1 1 62 62 THR HA H 1 3.804 0.000 . 1 . . . A 62 THR HA . 18808 1 302 . 1 1 62 62 THR HB H 1 4.457 0.004 . 1 . . . A 62 THR HB . 18808 1 303 . 1 1 62 62 THR HG21 H 1 1.287 0.001 . 1 . . . A 62 THR HG21 . 18808 1 304 . 1 1 62 62 THR HG22 H 1 1.287 0.001 . 1 . . . A 62 THR HG22 . 18808 1 305 . 1 1 62 62 THR HG23 H 1 1.287 0.001 . 1 . . . A 62 THR HG23 . 18808 1 306 . 1 1 62 62 THR CA C 13 67.067 0.033 . 1 . . . A 62 THR CA . 18808 1 307 . 1 1 62 62 THR CB C 13 68.378 0.004 . 1 . . . A 62 THR CB . 18808 1 308 . 1 1 62 62 THR CG2 C 13 20.463 0.088 . 1 . . . A 62 THR CG2 . 18808 1 309 . 1 1 62 62 THR N N 15 115.812 0.038 . 1 . . . A 62 THR N . 18808 1 310 . 1 1 65 65 LEU H H 1 8.196 0.006 . 1 . . . A 65 LEU H . 18808 1 311 . 1 1 65 65 LEU HD11 H 1 1.005 0.003 . 1 . . . A 65 LEU HD11 . 18808 1 312 . 1 1 65 65 LEU HD12 H 1 1.005 0.003 . 1 . . . A 65 LEU HD12 . 18808 1 313 . 1 1 65 65 LEU HD13 H 1 1.005 0.003 . 1 . . . A 65 LEU HD13 . 18808 1 314 . 1 1 65 65 LEU HD21 H 1 0.733 0.006 . 1 . . . A 65 LEU HD21 . 18808 1 315 . 1 1 65 65 LEU HD22 H 1 0.733 0.006 . 1 . . . A 65 LEU HD22 . 18808 1 316 . 1 1 65 65 LEU HD23 H 1 0.733 0.006 . 1 . . . A 65 LEU HD23 . 18808 1 317 . 1 1 65 65 LEU CA C 13 56.765 0.000 . 1 . . . A 65 LEU CA . 18808 1 318 . 1 1 65 65 LEU CG C 13 24.508 0.013 . 1 . . . A 65 LEU CG . 18808 1 319 . 1 1 65 65 LEU CD1 C 13 23.477 0.031 . 1 . . . A 65 LEU CD1 . 18808 1 320 . 1 1 65 65 LEU CD2 C 13 24.494 0.034 . 1 . . . A 65 LEU CD2 . 18808 1 321 . 1 1 65 65 LEU N N 15 118.411 0.049 . 1 . . . A 65 LEU N . 18808 1 322 . 1 1 66 66 ARG H H 1 8.199 0.009 . 1 . . . A 66 ARG H . 18808 1 323 . 1 1 66 66 ARG CA C 13 57.751 0.000 . 1 . . . A 66 ARG CA . 18808 1 324 . 1 1 66 66 ARG CB C 13 29.682 0.000 . 1 . . . A 66 ARG CB . 18808 1 325 . 1 1 66 66 ARG N N 15 119.024 0.027 . 1 . . . A 66 ARG N . 18808 1 326 . 1 1 67 67 THR H H 1 7.993 0.007 . 1 . . . A 67 THR H . 18808 1 327 . 1 1 67 67 THR HA H 1 4.357 0.000 . 1 . . . A 67 THR HA . 18808 1 328 . 1 1 67 67 THR HB H 1 4.347 0.000 . 1 . . . A 67 THR HB . 18808 1 329 . 1 1 67 67 THR HG21 H 1 1.307 0.014 . 1 . . . A 67 THR HG21 . 18808 1 330 . 1 1 67 67 THR HG22 H 1 1.307 0.014 . 1 . . . A 67 THR HG22 . 18808 1 331 . 1 1 67 67 THR HG23 H 1 1.307 0.014 . 1 . . . A 67 THR HG23 . 18808 1 332 . 1 1 67 67 THR CA C 13 62.199 0.069 . 1 . . . A 67 THR CA . 18808 1 333 . 1 1 67 67 THR CB C 13 70.266 0.012 . 1 . . . A 67 THR CB . 18808 1 334 . 1 1 67 67 THR CG2 C 13 20.771 0.167 . 1 . . . A 67 THR CG2 . 18808 1 335 . 1 1 67 67 THR N N 15 109.711 0.172 . 1 . . . A 67 THR N . 18808 1 336 . 1 1 68 68 GLY H H 1 8.065 0.009 . 1 . . . A 68 GLY H . 18808 1 337 . 1 1 68 68 GLY CA C 13 45.519 0.044 . 1 . . . A 68 GLY CA . 18808 1 338 . 1 1 68 68 GLY N N 15 110.782 0.042 . 1 . . . A 68 GLY N . 18808 1 339 . 1 1 69 69 ASP H H 1 8.096 0.021 . 1 . . . A 69 ASP H . 18808 1 340 . 1 1 69 69 ASP CA C 13 53.196 0.048 . 1 . . . A 69 ASP CA . 18808 1 341 . 1 1 69 69 ASP CB C 13 39.719 0.016 . 1 . . . A 69 ASP CB . 18808 1 342 . 1 1 69 69 ASP N N 15 121.620 0.018 . 1 . . . A 69 ASP N . 18808 1 343 . 1 1 70 70 LEU H H 1 8.023 0.005 . 1 . . . A 70 LEU H . 18808 1 344 . 1 1 70 70 LEU HD11 H 1 0.735 0.005 . 1 . . . A 70 LEU HD11 . 18808 1 345 . 1 1 70 70 LEU HD12 H 1 0.735 0.005 . 1 . . . A 70 LEU HD12 . 18808 1 346 . 1 1 70 70 LEU HD13 H 1 0.735 0.005 . 1 . . . A 70 LEU HD13 . 18808 1 347 . 1 1 70 70 LEU HD21 H 1 0.921 0.000 . 1 . . . A 70 LEU HD21 . 18808 1 348 . 1 1 70 70 LEU HD22 H 1 0.921 0.000 . 1 . . . A 70 LEU HD22 . 18808 1 349 . 1 1 70 70 LEU HD23 H 1 0.921 0.000 . 1 . . . A 70 LEU HD23 . 18808 1 350 . 1 1 70 70 LEU CA C 13 54.820 0.049 . 1 . . . A 70 LEU CA . 18808 1 351 . 1 1 70 70 LEU CD1 C 13 22.534 0.029 . 1 . . . A 70 LEU CD1 . 18808 1 352 . 1 1 70 70 LEU CD2 C 13 25.696 0.067 . 1 . . . A 70 LEU CD2 . 18808 1 353 . 1 1 70 70 LEU N N 15 120.862 0.026 . 1 . . . A 70 LEU N . 18808 1 354 . 1 1 71 71 GLY H H 1 8.433 0.014 . 1 . . . A 71 GLY H . 18808 1 355 . 1 1 71 71 GLY CA C 13 45.026 0.023 . 1 . . . A 71 GLY CA . 18808 1 356 . 1 1 71 71 GLY N N 15 108.143 0.046 . 1 . . . A 71 GLY N . 18808 1 357 . 1 1 72 72 ILE H H 1 7.863 0.010 . 1 . . . A 72 ILE H . 18808 1 358 . 1 1 72 72 ILE HG12 H 1 1.080 0.000 . 1 . . . A 72 ILE HG12 . 18808 1 359 . 1 1 72 72 ILE HD11 H 1 0.829 0.003 . 1 . . . A 72 ILE HD11 . 18808 1 360 . 1 1 72 72 ILE HD12 H 1 0.829 0.003 . 1 . . . A 72 ILE HD12 . 18808 1 361 . 1 1 72 72 ILE HD13 H 1 0.829 0.003 . 1 . . . A 72 ILE HD13 . 18808 1 362 . 1 1 72 72 ILE CA C 13 58.132 0.046 . 1 . . . A 72 ILE CA . 18808 1 363 . 1 1 72 72 ILE CB C 13 37.749 0.000 . 1 . . . A 72 ILE CB . 18808 1 364 . 1 1 72 72 ILE CG1 C 13 26.581 0.000 . 1 . . . A 72 ILE CG1 . 18808 1 365 . 1 1 72 72 ILE CD1 C 13 12.470 0.027 . 1 . . . A 72 ILE CD1 . 18808 1 366 . 1 1 72 72 ILE N N 15 121.288 0.074 . 1 . . . A 72 ILE N . 18808 1 367 . 1 1 73 73 PRO HA H 1 4.665 0.000 . 1 . . . A 73 PRO HA . 18808 1 368 . 1 1 73 73 PRO CA C 13 61.094 0.000 . 1 . . . A 73 PRO CA . 18808 1 369 . 1 1 74 74 PRO CA C 13 62.599 0.002 . 1 . . . A 74 PRO CA . 18808 1 370 . 1 1 74 74 PRO CB C 13 31.140 0.000 . 1 . . . A 74 PRO CB . 18808 1 371 . 1 1 75 75 ASN H H 1 8.476 0.003 . 1 . . . A 75 ASN H . 18808 1 372 . 1 1 75 75 ASN HA H 1 4.972 0.000 . 1 . . . A 75 ASN HA . 18808 1 373 . 1 1 75 75 ASN HD22 H 1 7.700 0.006 . 1 . . . A 75 ASN HD22 . 18808 1 374 . 1 1 75 75 ASN CA C 13 50.708 0.103 . 1 . . . A 75 ASN CA . 18808 1 375 . 1 1 75 75 ASN CB C 13 38.220 0.000 . 1 . . . A 75 ASN CB . 18808 1 376 . 1 1 75 75 ASN N N 15 119.457 0.021 . 1 . . . A 75 ASN N . 18808 1 377 . 1 1 75 75 ASN ND2 N 15 113.541 0.043 . 1 . . . A 75 ASN ND2 . 18808 1 378 . 1 1 76 76 PRO HA H 1 4.331 0.000 . 1 . . . A 76 PRO HA . 18808 1 379 . 1 1 76 76 PRO CA C 13 63.643 0.068 . 1 . . . A 76 PRO CA . 18808 1 380 . 1 1 76 76 PRO CB C 13 31.191 0.000 . 1 . . . A 76 PRO CB . 18808 1 381 . 1 1 77 77 GLU H H 1 8.491 0.005 . 1 . . . A 77 GLU H . 18808 1 382 . 1 1 77 77 GLU HA H 1 4.223 0.000 . 1 . . . A 77 GLU HA . 18808 1 383 . 1 1 77 77 GLU CA C 13 56.457 0.062 . 1 . . . A 77 GLU CA . 18808 1 384 . 1 1 77 77 GLU CB C 13 28.811 0.004 . 1 . . . A 77 GLU CB . 18808 1 385 . 1 1 77 77 GLU N N 15 118.567 0.034 . 1 . . . A 77 GLU N . 18808 1 386 . 1 1 78 78 ASP H H 1 8.015 0.013 . 1 . . . A 78 ASP H . 18808 1 387 . 1 1 78 78 ASP CA C 13 54.073 0.042 . 1 . . . A 78 ASP CA . 18808 1 388 . 1 1 78 78 ASP CB C 13 40.455 0.038 . 1 . . . A 78 ASP CB . 18808 1 389 . 1 1 78 78 ASP N N 15 120.557 0.022 . 1 . . . A 78 ASP N . 18808 1 390 . 1 1 79 79 ARG H H 1 8.120 0.029 . 1 . . . A 79 ARG H . 18808 1 391 . 1 1 79 79 ARG CA C 13 55.406 0.042 . 1 . . . A 79 ARG CA . 18808 1 392 . 1 1 79 79 ARG CB C 13 29.636 0.011 . 1 . . . A 79 ARG CB . 18808 1 393 . 1 1 79 79 ARG N N 15 121.090 0.105 . 1 . . . A 79 ARG N . 18808 1 394 . 1 1 80 80 SER H H 1 8.337 0.004 . 1 . . . A 80 SER H . 18808 1 395 . 1 1 80 80 SER HA H 1 4.704 0.000 . 1 . . . A 80 SER HA . 18808 1 396 . 1 1 80 80 SER HB2 H 1 3.841 0.000 . 1 . . . A 80 SER HB2 . 18808 1 397 . 1 1 80 80 SER HB3 H 1 3.887 0.000 . 1 . . . A 80 SER HB3 . 18808 1 398 . 1 1 80 80 SER CA C 13 56.232 0.125 . 1 . . . A 80 SER CA . 18808 1 399 . 1 1 80 80 SER CB C 13 62.761 0.124 . 1 . . . A 80 SER CB . 18808 1 400 . 1 1 80 80 SER N N 15 118.342 0.022 . 1 . . . A 80 SER N . 18808 1 401 . 1 1 81 81 PRO CA C 13 62.870 0.026 . 1 . . . A 81 PRO CA . 18808 1 402 . 1 1 81 81 PRO CB C 13 31.134 0.000 . 1 . . . A 81 PRO CB . 18808 1 403 . 1 1 82 82 SER H H 1 8.358 0.003 . 1 . . . A 82 SER H . 18808 1 404 . 1 1 82 82 SER HA H 1 4.726 0.000 . 1 . . . A 82 SER HA . 18808 1 405 . 1 1 82 82 SER HB2 H 1 3.831 0.000 . 1 . . . A 82 SER HB2 . 18808 1 406 . 1 1 82 82 SER HB3 H 1 3.831 0.000 . 1 . . . A 82 SER HB3 . 18808 1 407 . 1 1 82 82 SER CA C 13 55.808 0.016 . 1 . . . A 82 SER CA . 18808 1 408 . 1 1 82 82 SER CB C 13 62.903 0.060 . 1 . . . A 82 SER CB . 18808 1 409 . 1 1 82 82 SER N N 15 117.424 0.019 . 1 . . . A 82 SER N . 18808 1 410 . 1 1 83 83 PRO CA C 13 62.778 0.000 . 1 . . . A 83 PRO CA . 18808 1 411 . 1 1 84 84 GLU H H 1 8.295 0.002 . 1 . . . A 84 GLU H . 18808 1 412 . 1 1 84 84 GLU HA H 1 4.539 0.000 . 1 . . . A 84 GLU HA . 18808 1 413 . 1 1 84 84 GLU CA C 13 53.934 0.039 . 1 . . . A 84 GLU CA . 18808 1 414 . 1 1 84 84 GLU CB C 13 28.861 0.000 . 1 . . . A 84 GLU CB . 18808 1 415 . 1 1 84 84 GLU N N 15 122.184 0.014 . 1 . . . A 84 GLU N . 18808 1 416 . 1 1 85 85 PRO CA C 13 62.675 0.020 . 1 . . . A 85 PRO CA . 18808 1 417 . 1 1 85 85 PRO CB C 13 31.123 0.000 . 1 . . . A 85 PRO CB . 18808 1 418 . 1 1 86 86 ILE H H 1 8.052 0.006 . 1 . . . A 86 ILE H . 18808 1 419 . 1 1 86 86 ILE HG12 H 1 1.080 0.000 . 1 . . . A 86 ILE HG12 . 18808 1 420 . 1 1 86 86 ILE HG13 H 1 1.388 0.000 . 1 . . . A 86 ILE HG13 . 18808 1 421 . 1 1 86 86 ILE HG21 H 1 0.760 0.000 . 1 . . . A 86 ILE HG21 . 18808 1 422 . 1 1 86 86 ILE HG22 H 1 0.760 0.000 . 1 . . . A 86 ILE HG22 . 18808 1 423 . 1 1 86 86 ILE HG23 H 1 0.760 0.000 . 1 . . . A 86 ILE HG23 . 18808 1 424 . 1 1 86 86 ILE HD11 H 1 0.813 0.021 . 1 . . . A 86 ILE HD11 . 18808 1 425 . 1 1 86 86 ILE HD12 H 1 0.813 0.021 . 1 . . . A 86 ILE HD12 . 18808 1 426 . 1 1 86 86 ILE HD13 H 1 0.813 0.021 . 1 . . . A 86 ILE HD13 . 18808 1 427 . 1 1 86 86 ILE CA C 13 60.553 0.063 . 1 . . . A 86 ILE CA . 18808 1 428 . 1 1 86 86 ILE CB C 13 38.305 0.000 . 1 . . . A 86 ILE CB . 18808 1 429 . 1 1 86 86 ILE CG1 C 13 26.812 0.013 . 1 . . . A 86 ILE CG1 . 18808 1 430 . 1 1 86 86 ILE CG2 C 13 17.187 0.000 . 1 . . . A 86 ILE CG2 . 18808 1 431 . 1 1 86 86 ILE CD1 C 13 12.612 0.026 . 1 . . . A 86 ILE CD1 . 18808 1 432 . 1 1 86 86 ILE N N 15 120.522 0.039 . 1 . . . A 86 ILE N . 18808 1 433 . 1 1 87 87 TYR H H 1 8.272 0.022 . 1 . . . A 87 TYR H . 18808 1 434 . 1 1 87 87 TYR HA H 1 4.905 0.000 . 1 . . . A 87 TYR HA . 18808 1 435 . 1 1 87 87 TYR CA C 13 56.744 0.106 . 1 . . . A 87 TYR CA . 18808 1 436 . 1 1 87 87 TYR CB C 13 39.324 0.010 . 1 . . . A 87 TYR CB . 18808 1 437 . 1 1 87 87 TYR N N 15 123.178 0.114 . 1 . . . A 87 TYR N . 18808 1 438 . 1 1 88 88 ASN H H 1 8.466 0.007 . 1 . . . A 88 ASN H . 18808 1 439 . 1 1 88 88 ASN HA H 1 4.801 0.000 . 1 . . . A 88 ASN HA . 18808 1 440 . 1 1 88 88 ASN HD21 H 1 7.006 0.019 . 1 . . . A 88 ASN HD21 . 18808 1 441 . 1 1 88 88 ASN HD22 H 1 7.705 0.006 . 1 . . . A 88 ASN HD22 . 18808 1 442 . 1 1 88 88 ASN CA C 13 51.734 0.073 . 1 . . . A 88 ASN CA . 18808 1 443 . 1 1 88 88 ASN CB C 13 38.209 0.256 . 1 . . . A 88 ASN CB . 18808 1 444 . 1 1 88 88 ASN N N 15 120.123 0.049 . 1 . . . A 88 ASN N . 18808 1 445 . 1 1 88 88 ASN ND2 N 15 112.547 0.240 . 1 . . . A 88 ASN ND2 . 18808 1 446 . 1 1 89 89 SER H H 1 8.460 0.007 . 1 . . . A 89 SER H . 18808 1 447 . 1 1 89 89 SER HA H 1 4.276 0.000 . 1 . . . A 89 SER HA . 18808 1 448 . 1 1 89 89 SER HB2 H 1 3.883 0.000 . 1 . . . A 89 SER HB2 . 18808 1 449 . 1 1 89 89 SER HB3 H 1 3.961 0.000 . 1 . . . A 89 SER HB3 . 18808 1 450 . 1 1 89 89 SER CA C 13 59.589 0.060 . 1 . . . A 89 SER CA . 18808 1 451 . 1 1 89 89 SER CB C 13 62.695 0.019 . 1 . . . A 89 SER CB . 18808 1 452 . 1 1 89 89 SER N N 15 115.872 0.086 . 1 . . . A 89 SER N . 18808 1 453 . 1 1 90 90 GLU CA C 13 56.320 0.058 . 1 . . . A 90 GLU CA . 18808 1 454 . 1 1 90 90 GLU CB C 13 29.074 0.000 . 1 . . . A 90 GLU CB . 18808 1 455 . 1 1 91 91 GLY H H 1 8.245 0.004 . 1 . . . A 91 GLY H . 18808 1 456 . 1 1 91 91 GLY CA C 13 45.175 0.041 . 1 . . . A 91 GLY CA . 18808 1 457 . 1 1 91 91 GLY N N 15 108.520 0.041 . 1 . . . A 91 GLY N . 18808 1 458 . 1 1 92 92 LYS H H 1 8.022 0.006 . 1 . . . A 92 LYS H . 18808 1 459 . 1 1 92 92 LYS CA C 13 55.393 0.025 . 1 . . . A 92 LYS CA . 18808 1 460 . 1 1 92 92 LYS CB C 13 32.047 0.012 . 1 . . . A 92 LYS CB . 18808 1 461 . 1 1 92 92 LYS N N 15 120.880 0.026 . 1 . . . A 92 LYS N . 18808 1 462 . 1 1 93 93 ARG H H 1 8.476 0.004 . 1 . . . A 93 ARG H . 18808 1 463 . 1 1 93 93 ARG HA H 1 4.230 0.000 . 1 . . . A 93 ARG HA . 18808 1 464 . 1 1 93 93 ARG CA C 13 55.894 0.149 . 1 . . . A 93 ARG CA . 18808 1 465 . 1 1 93 93 ARG CB C 13 30.480 0.571 . 1 . . . A 93 ARG CB . 18808 1 466 . 1 1 93 93 ARG N N 15 123.484 0.027 . 1 . . . A 93 ARG N . 18808 1 467 . 1 1 94 94 LEU H H 1 8.391 0.009 . 1 . . . A 94 LEU H . 18808 1 468 . 1 1 94 94 LEU HA H 1 4.323 0.000 . 1 . . . A 94 LEU HA . 18808 1 469 . 1 1 94 94 LEU HD11 H 1 0.799 0.005 . 1 . . . A 94 LEU HD11 . 18808 1 470 . 1 1 94 94 LEU HD12 H 1 0.799 0.005 . 1 . . . A 94 LEU HD12 . 18808 1 471 . 1 1 94 94 LEU HD13 H 1 0.799 0.005 . 1 . . . A 94 LEU HD13 . 18808 1 472 . 1 1 94 94 LEU HD21 H 1 0.840 0.010 . 1 . . . A 94 LEU HD21 . 18808 1 473 . 1 1 94 94 LEU HD22 H 1 0.840 0.010 . 1 . . . A 94 LEU HD22 . 18808 1 474 . 1 1 94 94 LEU HD23 H 1 0.840 0.010 . 1 . . . A 94 LEU HD23 . 18808 1 475 . 1 1 94 94 LEU CA C 13 54.606 0.002 . 1 . . . A 94 LEU CA . 18808 1 476 . 1 1 94 94 LEU CD1 C 13 23.052 0.033 . 1 . . . A 94 LEU CD1 . 18808 1 477 . 1 1 94 94 LEU CD2 C 13 24.726 0.016 . 1 . . . A 94 LEU CD2 . 18808 1 478 . 1 1 94 94 LEU N N 15 124.336 0.071 . 1 . . . A 94 LEU N . 18808 1 479 . 1 1 95 95 ASN H H 1 8.533 0.004 . 1 . . . A 95 ASN H . 18808 1 480 . 1 1 95 95 ASN HA H 1 4.793 0.000 . 1 . . . A 95 ASN HA . 18808 1 481 . 1 1 95 95 ASN HD21 H 1 7.012 0.013 . 1 . . . A 95 ASN HD21 . 18808 1 482 . 1 1 95 95 ASN HD22 H 1 7.712 0.009 . 1 . . . A 95 ASN HD22 . 18808 1 483 . 1 1 95 95 ASN CA C 13 52.490 0.079 . 1 . . . A 95 ASN CA . 18808 1 484 . 1 1 95 95 ASN CB C 13 38.070 0.141 . 1 . . . A 95 ASN CB . 18808 1 485 . 1 1 95 95 ASN N N 15 119.662 0.047 . 1 . . . A 95 ASN N . 18808 1 486 . 1 1 95 95 ASN ND2 N 15 113.210 0.174 . 1 . . . A 95 ASN ND2 . 18808 1 487 . 1 1 96 96 THR H H 1 8.128 0.004 . 1 . . . A 96 THR H . 18808 1 488 . 1 1 96 96 THR CA C 13 62.469 0.013 . 1 . . . A 96 THR CA . 18808 1 489 . 1 1 96 96 THR N N 15 114.180 0.046 . 1 . . . A 96 THR N . 18808 1 490 . 1 1 97 97 ARG H H 1 8.626 0.013 . 1 . . . A 97 ARG H . 18808 1 491 . 1 1 97 97 ARG CA C 13 58.053 0.000 . 1 . . . A 97 ARG CA . 18808 1 492 . 1 1 97 97 ARG N N 15 122.577 0.145 . 1 . . . A 97 ARG N . 18808 1 493 . 1 1 98 98 GLU H H 1 8.607 0.003 . 1 . . . A 98 GLU H . 18808 1 494 . 1 1 98 98 GLU CA C 13 58.320 0.059 . 1 . . . A 98 GLU CA . 18808 1 495 . 1 1 98 98 GLU N N 15 121.594 0.041 . 1 . . . A 98 GLU N . 18808 1 496 . 1 1 100 100 ARG CA C 13 58.113 0.000 . 1 . . . A 100 ARG CA . 18808 1 497 . 1 1 101 101 THR H H 1 8.091 0.002 . 1 . . . A 101 THR H . 18808 1 498 . 1 1 101 101 THR HA H 1 3.987 0.024 . 1 . . . A 101 THR HA . 18808 1 499 . 1 1 101 101 THR HG21 H 1 1.261 0.002 . 1 . . . A 101 THR HG21 . 18808 1 500 . 1 1 101 101 THR HG22 H 1 1.261 0.002 . 1 . . . A 101 THR HG22 . 18808 1 501 . 1 1 101 101 THR HG23 H 1 1.261 0.002 . 1 . . . A 101 THR HG23 . 18808 1 502 . 1 1 101 101 THR CA C 13 64.627 0.235 . 1 . . . A 101 THR CA . 18808 1 503 . 1 1 101 101 THR CG2 C 13 21.596 0.004 . 1 . . . A 101 THR CG2 . 18808 1 504 . 1 1 101 101 THR N N 15 115.806 0.053 . 1 . . . A 101 THR N . 18808 1 505 . 1 1 102 102 ARG H H 1 8.430 0.022 . 1 . . . A 102 ARG H . 18808 1 506 . 1 1 102 102 ARG CA C 13 60.055 0.037 . 1 . . . A 102 ARG CA . 18808 1 507 . 1 1 102 102 ARG N N 15 122.017 0.046 . 1 . . . A 102 ARG N . 18808 1 508 . 1 1 103 103 LYS H H 1 7.975 0.012 . 1 . . . A 103 LYS H . 18808 1 509 . 1 1 103 103 LYS CA C 13 58.573 0.005 . 1 . . . A 103 LYS CA . 18808 1 510 . 1 1 103 103 LYS N N 15 117.689 0.057 . 1 . . . A 103 LYS N . 18808 1 511 . 1 1 104 104 LYS H H 1 7.674 0.014 . 1 . . . A 104 LYS H . 18808 1 512 . 1 1 104 104 LYS CA C 13 58.500 0.016 . 1 . . . A 104 LYS CA . 18808 1 513 . 1 1 104 104 LYS CB C 13 31.083 0.000 . 1 . . . A 104 LYS CB . 18808 1 514 . 1 1 104 104 LYS N N 15 119.765 0.020 . 1 . . . A 104 LYS N . 18808 1 515 . 1 1 105 105 LEU H H 1 8.120 0.018 . 1 . . . A 105 LEU H . 18808 1 516 . 1 1 105 105 LEU HD11 H 1 0.856 0.003 . 1 . . . A 105 LEU HD11 . 18808 1 517 . 1 1 105 105 LEU HD12 H 1 0.856 0.003 . 1 . . . A 105 LEU HD12 . 18808 1 518 . 1 1 105 105 LEU HD13 H 1 0.856 0.003 . 1 . . . A 105 LEU HD13 . 18808 1 519 . 1 1 105 105 LEU HD21 H 1 0.854 0.003 . 1 . . . A 105 LEU HD21 . 18808 1 520 . 1 1 105 105 LEU HD22 H 1 0.854 0.003 . 1 . . . A 105 LEU HD22 . 18808 1 521 . 1 1 105 105 LEU HD23 H 1 0.854 0.003 . 1 . . . A 105 LEU HD23 . 18808 1 522 . 1 1 105 105 LEU CA C 13 57.813 0.047 . 1 . . . A 105 LEU CA . 18808 1 523 . 1 1 105 105 LEU CD1 C 13 22.624 0.003 . 1 . . . A 105 LEU CD1 . 18808 1 524 . 1 1 105 105 LEU CD2 C 13 25.927 0.014 . 1 . . . A 105 LEU CD2 . 18808 1 525 . 1 1 105 105 LEU N N 15 120.812 0.047 . 1 . . . A 105 LEU N . 18808 1 526 . 1 1 106 106 GLU H H 1 8.707 0.007 . 1 . . . A 106 GLU H . 18808 1 527 . 1 1 106 106 GLU CA C 13 59.150 0.035 . 1 . . . A 106 GLU CA . 18808 1 528 . 1 1 106 106 GLU CB C 13 29.012 0.000 . 1 . . . A 106 GLU CB . 18808 1 529 . 1 1 106 106 GLU N N 15 118.877 0.015 . 1 . . . A 106 GLU N . 18808 1 530 . 1 1 107 107 GLU H H 1 8.357 0.012 . 1 . . . A 107 GLU H . 18808 1 531 . 1 1 107 107 GLU N N 15 122.176 0.006 . 1 . . . A 107 GLU N . 18808 1 532 . 1 1 108 108 GLU H H 1 8.322 0.002 . 1 . . . A 108 GLU H . 18808 1 533 . 1 1 108 108 GLU N N 15 121.565 0.005 . 1 . . . A 108 GLU N . 18808 1 534 . 1 1 109 109 ARG H H 1 8.613 0.007 . 1 . . . A 109 ARG H . 18808 1 535 . 1 1 109 109 ARG N N 15 118.431 0.033 . 1 . . . A 109 ARG N . 18808 1 536 . 1 1 110 110 HIS H H 1 8.541 0.007 . 1 . . . A 110 HIS H . 18808 1 537 . 1 1 110 110 HIS CA C 13 60.031 0.048 . 1 . . . A 110 HIS CA . 18808 1 538 . 1 1 110 110 HIS N N 15 119.577 0.011 . 1 . . . A 110 HIS N . 18808 1 539 . 1 1 111 111 ASN H H 1 8.401 0.004 . 1 . . . A 111 ASN H . 18808 1 540 . 1 1 111 111 ASN HD21 H 1 7.123 0.009 . 1 . . . A 111 ASN HD21 . 18808 1 541 . 1 1 111 111 ASN HD22 H 1 7.717 0.018 . 1 . . . A 111 ASN HD22 . 18808 1 542 . 1 1 111 111 ASN CB C 13 36.981 0.011 . 1 . . . A 111 ASN CB . 18808 1 543 . 1 1 111 111 ASN N N 15 119.551 0.033 . 1 . . . A 111 ASN N . 18808 1 544 . 1 1 111 111 ASN ND2 N 15 112.831 0.241 . 1 . . . A 111 ASN ND2 . 18808 1 545 . 1 1 112 112 LEU H H 1 8.088 0.016 . 1 . . . A 112 LEU H . 18808 1 546 . 1 1 112 112 LEU HD11 H 1 0.942 0.002 . 1 . . . A 112 LEU HD11 . 18808 1 547 . 1 1 112 112 LEU HD12 H 1 0.942 0.002 . 1 . . . A 112 LEU HD12 . 18808 1 548 . 1 1 112 112 LEU HD13 H 1 0.942 0.002 . 1 . . . A 112 LEU HD13 . 18808 1 549 . 1 1 112 112 LEU HD21 H 1 0.896 0.007 . 1 . . . A 112 LEU HD21 . 18808 1 550 . 1 1 112 112 LEU HD22 H 1 0.896 0.007 . 1 . . . A 112 LEU HD22 . 18808 1 551 . 1 1 112 112 LEU HD23 H 1 0.896 0.007 . 1 . . . A 112 LEU HD23 . 18808 1 552 . 1 1 112 112 LEU CA C 13 57.434 0.091 . 1 . . . A 112 LEU CA . 18808 1 553 . 1 1 112 112 LEU CD1 C 13 22.303 0.026 . 1 . . . A 112 LEU CD1 . 18808 1 554 . 1 1 112 112 LEU CD2 C 13 27.212 0.040 . 1 . . . A 112 LEU CD2 . 18808 1 555 . 1 1 112 112 LEU N N 15 121.995 0.043 . 1 . . . A 112 LEU N . 18808 1 556 . 1 1 113 113 ILE H H 1 8.527 0.011 . 1 . . . A 113 ILE H . 18808 1 557 . 1 1 113 113 ILE HG21 H 1 0.604 0.015 . 1 . . . A 113 ILE HG21 . 18808 1 558 . 1 1 113 113 ILE HG22 H 1 0.604 0.015 . 1 . . . A 113 ILE HG22 . 18808 1 559 . 1 1 113 113 ILE HG23 H 1 0.604 0.015 . 1 . . . A 113 ILE HG23 . 18808 1 560 . 1 1 113 113 ILE HD11 H 1 0.278 0.008 . 1 . . . A 113 ILE HD11 . 18808 1 561 . 1 1 113 113 ILE HD12 H 1 0.278 0.008 . 1 . . . A 113 ILE HD12 . 18808 1 562 . 1 1 113 113 ILE HD13 H 1 0.278 0.008 . 1 . . . A 113 ILE HD13 . 18808 1 563 . 1 1 113 113 ILE CA C 13 65.489 0.043 . 1 . . . A 113 ILE CA . 18808 1 564 . 1 1 113 113 ILE CG2 C 13 16.683 0.000 . 1 . . . A 113 ILE CG2 . 18808 1 565 . 1 1 113 113 ILE CD1 C 13 13.712 0.056 . 1 . . . A 113 ILE CD1 . 18808 1 566 . 1 1 113 113 ILE N N 15 121.510 0.044 . 1 . . . A 113 ILE N . 18808 1 567 . 1 1 114 114 THR H H 1 8.102 0.007 . 1 . . . A 114 THR H . 18808 1 568 . 1 1 114 114 THR HA H 1 3.748 0.001 . 1 . . . A 114 THR HA . 18808 1 569 . 1 1 114 114 THR HB H 1 4.248 0.008 . 1 . . . A 114 THR HB . 18808 1 570 . 1 1 114 114 THR HG21 H 1 1.145 0.000 . 1 . . . A 114 THR HG21 . 18808 1 571 . 1 1 114 114 THR HG22 H 1 1.145 0.000 . 1 . . . A 114 THR HG22 . 18808 1 572 . 1 1 114 114 THR HG23 H 1 1.145 0.000 . 1 . . . A 114 THR HG23 . 18808 1 573 . 1 1 114 114 THR CA C 13 66.173 0.084 . 1 . . . A 114 THR CA . 18808 1 574 . 1 1 114 114 THR CB C 13 68.210 0.000 . 1 . . . A 114 THR CB . 18808 1 575 . 1 1 114 114 THR CG2 C 13 20.847 0.093 . 1 . . . A 114 THR CG2 . 18808 1 576 . 1 1 114 114 THR N N 15 115.127 0.073 . 1 . . . A 114 THR N . 18808 1 577 . 1 1 115 115 GLU H H 1 7.473 0.015 . 1 . . . A 115 GLU H . 18808 1 578 . 1 1 115 115 GLU CA C 13 58.663 0.196 . 1 . . . A 115 GLU CA . 18808 1 579 . 1 1 115 115 GLU CB C 13 28.390 0.000 . 1 . . . A 115 GLU CB . 18808 1 580 . 1 1 115 115 GLU N N 15 123.316 0.034 . 1 . . . A 115 GLU N . 18808 1 581 . 1 1 116 116 MET H H 1 8.442 0.004 . 1 . . . A 116 MET H . 18808 1 582 . 1 1 116 116 MET CA C 13 56.561 0.000 . 1 . . . A 116 MET CA . 18808 1 583 . 1 1 116 116 MET N N 15 119.934 0.068 . 1 . . . A 116 MET N . 18808 1 584 . 1 1 117 117 VAL H H 1 8.332 0.005 . 1 . . . A 117 VAL H . 18808 1 585 . 1 1 117 117 VAL HA H 1 3.946 0.000 . 1 . . . A 117 VAL HA . 18808 1 586 . 1 1 117 117 VAL HG11 H 1 1.062 0.002 . 1 . . . A 117 VAL HG11 . 18808 1 587 . 1 1 117 117 VAL HG12 H 1 1.062 0.002 . 1 . . . A 117 VAL HG12 . 18808 1 588 . 1 1 117 117 VAL HG13 H 1 1.062 0.002 . 1 . . . A 117 VAL HG13 . 18808 1 589 . 1 1 117 117 VAL HG21 H 1 1.165 0.012 . 1 . . . A 117 VAL HG21 . 18808 1 590 . 1 1 117 117 VAL HG22 H 1 1.165 0.012 . 1 . . . A 117 VAL HG22 . 18808 1 591 . 1 1 117 117 VAL HG23 H 1 1.165 0.012 . 1 . . . A 117 VAL HG23 . 18808 1 592 . 1 1 117 117 VAL CA C 13 61.989 0.000 . 1 . . . A 117 VAL CA . 18808 1 593 . 1 1 117 117 VAL CG1 C 13 21.049 0.030 . 1 . . . A 117 VAL CG1 . 18808 1 594 . 1 1 117 117 VAL CG2 C 13 22.131 0.129 . 1 . . . A 117 VAL CG2 . 18808 1 595 . 1 1 117 117 VAL N N 15 117.688 0.200 . 1 . . . A 117 VAL N . 18808 1 596 . 1 1 118 118 ALA H H 1 7.143 0.007 . 1 . . . A 118 ALA H . 18808 1 597 . 1 1 118 118 ALA HA H 1 4.173 0.000 . 1 . . . A 118 ALA HA . 18808 1 598 . 1 1 118 118 ALA HB1 H 1 1.496 0.000 . 1 . . . A 118 ALA HB1 . 18808 1 599 . 1 1 118 118 ALA HB2 H 1 1.496 0.000 . 1 . . . A 118 ALA HB2 . 18808 1 600 . 1 1 118 118 ALA HB3 H 1 1.496 0.000 . 1 . . . A 118 ALA HB3 . 18808 1 601 . 1 1 118 118 ALA CA C 13 53.531 0.092 . 1 . . . A 118 ALA CA . 18808 1 602 . 1 1 118 118 ALA CB C 13 17.606 0.064 . 1 . . . A 118 ALA CB . 18808 1 603 . 1 1 118 118 ALA N N 15 120.568 0.054 . 1 . . . A 118 ALA N . 18808 1 604 . 1 1 119 119 LEU H H 1 7.585 0.008 . 1 . . . A 119 LEU H . 18808 1 605 . 1 1 119 119 LEU HD11 H 1 0.906 0.001 . 1 . . . A 119 LEU HD11 . 18808 1 606 . 1 1 119 119 LEU HD12 H 1 0.906 0.001 . 1 . . . A 119 LEU HD12 . 18808 1 607 . 1 1 119 119 LEU HD13 H 1 0.906 0.001 . 1 . . . A 119 LEU HD13 . 18808 1 608 . 1 1 119 119 LEU HD21 H 1 0.835 0.001 . 1 . . . A 119 LEU HD21 . 18808 1 609 . 1 1 119 119 LEU HD22 H 1 0.835 0.001 . 1 . . . A 119 LEU HD22 . 18808 1 610 . 1 1 119 119 LEU HD23 H 1 0.835 0.001 . 1 . . . A 119 LEU HD23 . 18808 1 611 . 1 1 119 119 LEU CA C 13 56.245 0.081 . 1 . . . A 119 LEU CA . 18808 1 612 . 1 1 119 119 LEU CD1 C 13 22.374 0.045 . 1 . . . A 119 LEU CD1 . 18808 1 613 . 1 1 119 119 LEU CD2 C 13 24.737 0.001 . 1 . . . A 119 LEU CD2 . 18808 1 614 . 1 1 119 119 LEU N N 15 118.032 0.031 . 1 . . . A 119 LEU N . 18808 1 615 . 1 1 120 120 ASN H H 1 8.512 0.003 . 1 . . . A 120 ASN H . 18808 1 616 . 1 1 120 120 ASN HA H 1 5.065 0.000 . 1 . . . A 120 ASN HA . 18808 1 617 . 1 1 120 120 ASN HD21 H 1 7.148 0.011 . 1 . . . A 120 ASN HD21 . 18808 1 618 . 1 1 120 120 ASN HD22 H 1 7.428 0.016 . 1 . . . A 120 ASN HD22 . 18808 1 619 . 1 1 120 120 ASN CA C 13 49.613 0.098 . 1 . . . A 120 ASN CA . 18808 1 620 . 1 1 120 120 ASN CB C 13 38.651 0.000 . 1 . . . A 120 ASN CB . 18808 1 621 . 1 1 120 120 ASN N N 15 115.407 0.047 . 1 . . . A 120 ASN N . 18808 1 622 . 1 1 120 120 ASN ND2 N 15 110.729 0.213 . 1 . . . A 120 ASN ND2 . 18808 1 623 . 1 1 121 121 PRO HA H 1 4.711 0.000 . 1 . . . A 121 PRO HA . 18808 1 624 . 1 1 121 121 PRO CA C 13 63.796 0.004 . 1 . . . A 121 PRO CA . 18808 1 625 . 1 1 121 121 PRO CB C 13 31.383 0.000 . 1 . . . A 121 PRO CB . 18808 1 626 . 1 1 122 122 ASP H H 1 7.676 0.017 . 1 . . . A 122 ASP H . 18808 1 627 . 1 1 122 122 ASP CA C 13 53.863 0.077 . 1 . . . A 122 ASP CA . 18808 1 628 . 1 1 122 122 ASP CB C 13 40.647 0.000 . 1 . . . A 122 ASP CB . 18808 1 629 . 1 1 122 122 ASP N N 15 115.768 0.076 . 1 . . . A 122 ASP N . 18808 1 630 . 1 1 123 123 PHE H H 1 7.989 0.004 . 1 . . . A 123 PHE H . 18808 1 631 . 1 1 123 123 PHE HA H 1 4.181 0.000 . 1 . . . A 123 PHE HA . 18808 1 632 . 1 1 123 123 PHE CA C 13 58.501 0.081 . 1 . . . A 123 PHE CA . 18808 1 633 . 1 1 123 123 PHE CB C 13 38.660 0.034 . 1 . . . A 123 PHE CB . 18808 1 634 . 1 1 123 123 PHE N N 15 122.733 0.054 . 1 . . . A 123 PHE N . 18808 1 635 . 1 1 124 124 LYS H H 1 7.686 0.004 . 1 . . . A 124 LYS H . 18808 1 636 . 1 1 124 124 LYS HA H 1 4.592 0.000 . 1 . . . A 124 LYS HA . 18808 1 637 . 1 1 124 124 LYS CA C 13 51.210 0.061 . 1 . . . A 124 LYS CA . 18808 1 638 . 1 1 124 124 LYS CB C 13 31.495 0.000 . 1 . . . A 124 LYS CB . 18808 1 639 . 1 1 124 124 LYS N N 15 129.392 0.016 . 1 . . . A 124 LYS N . 18808 1 640 . 1 1 125 125 PRO HA H 1 4.139 0.000 . 1 . . . A 125 PRO HA . 18808 1 641 . 1 1 125 125 PRO CA C 13 60.556 0.000 . 1 . . . A 125 PRO CA . 18808 1 642 . 1 1 126 126 PRO HA H 1 4.771 0.000 . 1 . . . A 126 PRO HA . 18808 1 643 . 1 1 126 126 PRO CA C 13 62.246 0.090 . 1 . . . A 126 PRO CA . 18808 1 644 . 1 1 126 126 PRO CB C 13 31.352 0.000 . 1 . . . A 126 PRO CB . 18808 1 645 . 1 1 127 127 ALA H H 1 8.691 0.005 . 1 . . . A 127 ALA H . 18808 1 646 . 1 1 127 127 ALA HA H 1 4.105 0.000 . 1 . . . A 127 ALA HA . 18808 1 647 . 1 1 127 127 ALA HB1 H 1 1.446 0.000 . 1 . . . A 127 ALA HB1 . 18808 1 648 . 1 1 127 127 ALA HB2 H 1 1.446 0.000 . 1 . . . A 127 ALA HB2 . 18808 1 649 . 1 1 127 127 ALA HB3 H 1 1.446 0.000 . 1 . . . A 127 ALA HB3 . 18808 1 650 . 1 1 127 127 ALA CA C 13 54.149 0.108 . 1 . . . A 127 ALA CA . 18808 1 651 . 1 1 127 127 ALA CB C 13 18.076 0.184 . 1 . . . A 127 ALA CB . 18808 1 652 . 1 1 127 127 ALA N N 15 123.830 0.040 . 1 . . . A 127 ALA N . 18808 1 653 . 1 1 128 128 ASP H H 1 8.403 0.016 . 1 . . . A 128 ASP H . 18808 1 654 . 1 1 128 128 ASP CA C 13 53.203 0.013 . 1 . . . A 128 ASP CA . 18808 1 655 . 1 1 128 128 ASP CB C 13 39.728 0.007 . 1 . . . A 128 ASP CB . 18808 1 656 . 1 1 128 128 ASP N N 15 112.954 0.021 . 1 . . . A 128 ASP N . 18808 1 657 . 1 1 129 129 TYR H H 1 7.650 0.004 . 1 . . . A 129 TYR H . 18808 1 658 . 1 1 129 129 TYR CA C 13 57.918 0.037 . 1 . . . A 129 TYR CA . 18808 1 659 . 1 1 129 129 TYR CB C 13 38.075 0.030 . 1 . . . A 129 TYR CB . 18808 1 660 . 1 1 129 129 TYR N N 15 121.200 0.033 . 1 . . . A 129 TYR N . 18808 1 661 . 1 1 130 130 LYS H H 1 7.784 0.007 . 1 . . . A 130 LYS H . 18808 1 662 . 1 1 130 130 LYS HA H 1 4.361 0.000 . 1 . . . A 130 LYS HA . 18808 1 663 . 1 1 130 130 LYS CA C 13 52.063 0.038 . 1 . . . A 130 LYS CA . 18808 1 664 . 1 1 130 130 LYS CB C 13 32.565 0.000 . 1 . . . A 130 LYS CB . 18808 1 665 . 1 1 130 130 LYS N N 15 129.878 0.057 . 1 . . . A 130 LYS N . 18808 1 666 . 1 1 132 132 PRO CA C 13 62.394 0.027 . 1 . . . A 132 PRO CA . 18808 1 667 . 1 1 132 132 PRO CB C 13 29.945 0.000 . 1 . . . A 132 PRO CB . 18808 1 668 . 1 1 133 133 ALA H H 1 8.375 0.004 . 1 . . . A 133 ALA H . 18808 1 669 . 1 1 133 133 ALA HA H 1 4.293 0.001 . 1 . . . A 133 ALA HA . 18808 1 670 . 1 1 133 133 ALA HB1 H 1 1.357 0.000 . 1 . . . A 133 ALA HB1 . 18808 1 671 . 1 1 133 133 ALA HB2 H 1 1.357 0.000 . 1 . . . A 133 ALA HB2 . 18808 1 672 . 1 1 133 133 ALA HB3 H 1 1.357 0.000 . 1 . . . A 133 ALA HB3 . 18808 1 673 . 1 1 133 133 ALA CA C 13 52.004 0.048 . 1 . . . A 133 ALA CA . 18808 1 674 . 1 1 133 133 ALA CB C 13 18.521 0.184 . 1 . . . A 133 ALA CB . 18808 1 675 . 1 1 133 133 ALA N N 15 124.238 0.065 . 1 . . . A 133 ALA N . 18808 1 676 . 2 2 1 1 GLY H H 1 8.333 0.004 . 1 . . . B 372 GLY HN . 18808 1 677 . 2 2 1 1 GLY CA C 13 45.042 0.038 . 1 . . . B 372 GLY CA . 18808 1 678 . 2 2 1 1 GLY N N 15 108.543 0.006 . 1 . . . B 372 GLY N . 18808 1 679 . 2 2 2 2 HIS H H 1 7.986 0.004 . 1 . . . B 373 HIS H . 18808 1 680 . 2 2 2 2 HIS CA C 13 53.752 0.024 . 1 . . . B 373 HIS CA . 18808 1 681 . 2 2 2 2 HIS CB C 13 29.011 0.000 . 1 . . . B 373 HIS CB . 18808 1 682 . 2 2 2 2 HIS N N 15 119.933 0.032 . 1 . . . B 373 HIS N . 18808 1 683 . 2 2 3 3 PRO CA C 13 62.673 0.000 . 1 . . . B 374 PRO CA . 18808 1 684 . 2 2 4 4 THR H H 1 6.215 0.002 . 1 . . . B 375 THR H . 18808 1 685 . 2 2 4 4 THR CA C 13 59.630 0.033 . 1 . . . B 375 THR CA . 18808 1 686 . 2 2 4 4 THR CB C 13 72.245 0.024 . 1 . . . B 375 THR CB . 18808 1 687 . 2 2 4 4 THR N N 15 112.622 0.021 . 1 . . . B 375 THR N . 18808 1 688 . 2 2 5 5 GLU H H 1 10.237 0.004 . 1 . . . B 376 GLU H . 18808 1 689 . 2 2 5 5 GLU CA C 13 58.290 0.024 . 1 . . . B 376 GLU CA . 18808 1 690 . 2 2 5 5 GLU CB C 13 28.267 0.000 . 1 . . . B 376 GLU CB . 18808 1 691 . 2 2 5 5 GLU N N 15 114.228 0.015 . 1 . . . B 376 GLU N . 18808 1 692 . 2 2 6 6 VAL H H 1 8.348 0.003 . 1 . . . B 377 VAL H . 18808 1 693 . 2 2 6 6 VAL HG11 H 1 0.291 0.005 . 1 . . . B 377 VAL HG11 . 18808 1 694 . 2 2 6 6 VAL HG12 H 1 0.291 0.005 . 1 . . . B 377 VAL HG12 . 18808 1 695 . 2 2 6 6 VAL HG13 H 1 0.291 0.005 . 1 . . . B 377 VAL HG13 . 18808 1 696 . 2 2 6 6 VAL HG21 H 1 0.488 0.002 . 1 . . . B 377 VAL HG21 . 18808 1 697 . 2 2 6 6 VAL HG22 H 1 0.488 0.002 . 1 . . . B 377 VAL HG22 . 18808 1 698 . 2 2 6 6 VAL HG23 H 1 0.488 0.002 . 1 . . . B 377 VAL HG23 . 18808 1 699 . 2 2 6 6 VAL CA C 13 60.649 0.000 . 1 . . . B 377 VAL CA . 18808 1 700 . 2 2 6 6 VAL CB C 13 32.776 0.064 . 1 . . . B 377 VAL CB . 18808 1 701 . 2 2 6 6 VAL CG1 C 13 20.708 0.027 . 1 . . . B 377 VAL CG1 . 18808 1 702 . 2 2 6 6 VAL CG2 C 13 20.800 0.005 . 1 . . . B 377 VAL CG2 . 18808 1 703 . 2 2 6 6 VAL N N 15 119.182 0.023 . 1 . . . B 377 VAL N . 18808 1 704 . 2 2 7 7 LEU H H 1 9.413 0.004 . 1 . . . B 378 LEU H . 18808 1 705 . 2 2 7 7 LEU HD11 H 1 0.628 0.004 . 1 . . . B 378 LEU HD11 . 18808 1 706 . 2 2 7 7 LEU HD12 H 1 0.628 0.004 . 1 . . . B 378 LEU HD12 . 18808 1 707 . 2 2 7 7 LEU HD13 H 1 0.628 0.004 . 1 . . . B 378 LEU HD13 . 18808 1 708 . 2 2 7 7 LEU HD21 H 1 0.732 0.008 . 1 . . . B 378 LEU HD21 . 18808 1 709 . 2 2 7 7 LEU HD22 H 1 0.732 0.008 . 1 . . . B 378 LEU HD22 . 18808 1 710 . 2 2 7 7 LEU HD23 H 1 0.732 0.008 . 1 . . . B 378 LEU HD23 . 18808 1 711 . 2 2 7 7 LEU CA C 13 52.444 0.177 . 1 . . . B 378 LEU CA . 18808 1 712 . 2 2 7 7 LEU CD1 C 13 23.441 0.034 . 1 . . . B 378 LEU CD1 . 18808 1 713 . 2 2 7 7 LEU CD2 C 13 26.801 0.067 . 1 . . . B 378 LEU CD2 . 18808 1 714 . 2 2 7 7 LEU N N 15 130.727 0.128 . 1 . . . B 378 LEU N . 18808 1 715 . 2 2 8 8 CYS H H 1 9.011 0.006 . 1 . . . B 379 CYS H . 18808 1 716 . 2 2 8 8 CYS CA C 13 56.389 0.049 . 1 . . . B 379 CYS CA . 18808 1 717 . 2 2 8 8 CYS CB C 13 28.367 0.006 . 1 . . . B 379 CYS CB . 18808 1 718 . 2 2 8 8 CYS N N 15 124.619 0.086 . 1 . . . B 379 CYS N . 18808 1 719 . 2 2 9 9 LEU H H 1 9.299 0.005 . 1 . . . B 380 LEU H . 18808 1 720 . 2 2 9 9 LEU HD11 H 1 0.659 0.036 . 1 . . . B 380 LEU HD11 . 18808 1 721 . 2 2 9 9 LEU HD12 H 1 0.659 0.036 . 1 . . . B 380 LEU HD12 . 18808 1 722 . 2 2 9 9 LEU HD13 H 1 0.659 0.036 . 1 . . . B 380 LEU HD13 . 18808 1 723 . 2 2 9 9 LEU HD21 H 1 0.636 0.002 . 1 . . . B 380 LEU HD21 . 18808 1 724 . 2 2 9 9 LEU HD22 H 1 0.636 0.002 . 1 . . . B 380 LEU HD22 . 18808 1 725 . 2 2 9 9 LEU HD23 H 1 0.636 0.002 . 1 . . . B 380 LEU HD23 . 18808 1 726 . 2 2 9 9 LEU CA C 13 53.817 0.061 . 1 . . . B 380 LEU CA . 18808 1 727 . 2 2 9 9 LEU CD1 C 13 25.636 0.333 . 1 . . . B 380 LEU CD1 . 18808 1 728 . 2 2 9 9 LEU CD2 C 13 25.951 0.024 . 1 . . . B 380 LEU CD2 . 18808 1 729 . 2 2 9 9 LEU N N 15 128.005 0.036 . 1 . . . B 380 LEU N . 18808 1 730 . 2 2 10 10 MET H H 1 9.456 0.006 . 1 . . . B 381 MET H . 18808 1 731 . 2 2 10 10 MET HE1 H 1 1.775 0.010 . 1 . . . B 381 MET HE1 . 18808 1 732 . 2 2 10 10 MET HE2 H 1 1.775 0.010 . 1 . . . B 381 MET HE2 . 18808 1 733 . 2 2 10 10 MET HE3 H 1 1.775 0.010 . 1 . . . B 381 MET HE3 . 18808 1 734 . 2 2 10 10 MET CA C 13 55.165 0.090 . 1 . . . B 381 MET CA . 18808 1 735 . 2 2 10 10 MET CB C 13 36.058 0.014 . 1 . . . B 381 MET CB . 18808 1 736 . 2 2 10 10 MET CE C 13 17.122 0.116 . 1 . . . B 381 MET CE . 18808 1 737 . 2 2 10 10 MET N N 15 123.497 0.037 . 1 . . . B 381 MET N . 18808 1 738 . 2 2 11 11 ASN H H 1 8.884 0.002 . 1 . . . B 382 ASN H . 18808 1 739 . 2 2 11 11 ASN HB2 H 1 8.883 0.000 . 1 . . . B 382 ASN HB2 . 18808 1 740 . 2 2 11 11 ASN CA C 13 54.705 0.100 . 1 . . . B 382 ASN CA . 18808 1 741 . 2 2 11 11 ASN CB C 13 39.053 0.022 . 1 . . . B 382 ASN CB . 18808 1 742 . 2 2 11 11 ASN N N 15 114.006 0.034 . 1 . . . B 382 ASN N . 18808 1 743 . 2 2 12 12 MET H H 1 8.344 0.004 . 1 . . . B 383 MET H . 18808 1 744 . 2 2 12 12 MET CA C 13 58.588 0.003 . 1 . . . B 383 MET CA . 18808 1 745 . 2 2 12 12 MET CB C 13 34.482 0.000 . 1 . . . B 383 MET CB . 18808 1 746 . 2 2 12 12 MET N N 15 114.542 0.012 . 1 . . . B 383 MET N . 18808 1 747 . 2 2 13 13 VAL H H 1 6.776 0.009 . 1 . . . B 384 VAL H . 18808 1 748 . 2 2 13 13 VAL HG11 H 1 0.660 0.007 . 1 . . . B 384 VAL HG11 . 18808 1 749 . 2 2 13 13 VAL HG12 H 1 0.660 0.007 . 1 . . . B 384 VAL HG12 . 18808 1 750 . 2 2 13 13 VAL HG13 H 1 0.660 0.007 . 1 . . . B 384 VAL HG13 . 18808 1 751 . 2 2 13 13 VAL HG21 H 1 0.780 0.004 . 1 . . . B 384 VAL HG21 . 18808 1 752 . 2 2 13 13 VAL HG22 H 1 0.780 0.004 . 1 . . . B 384 VAL HG22 . 18808 1 753 . 2 2 13 13 VAL HG23 H 1 0.780 0.004 . 1 . . . B 384 VAL HG23 . 18808 1 754 . 2 2 13 13 VAL CA C 13 57.838 0.103 . 1 . . . B 384 VAL CA . 18808 1 755 . 2 2 13 13 VAL CB C 13 35.614 0.011 . 1 . . . B 384 VAL CB . 18808 1 756 . 2 2 13 13 VAL CG1 C 13 18.321 0.053 . 1 . . . B 384 VAL CG1 . 18808 1 757 . 2 2 13 13 VAL CG2 C 13 22.248 0.041 . 1 . . . B 384 VAL CG2 . 18808 1 758 . 2 2 13 13 VAL N N 15 106.542 0.223 . 1 . . . B 384 VAL N . 18808 1 759 . 2 2 14 14 LEU H H 1 8.547 0.001 . 1 . . . B 385 LEU H . 18808 1 760 . 2 2 14 14 LEU HD11 H 1 0.818 0.005 . 1 . . . B 385 LEU HD11 . 18808 1 761 . 2 2 14 14 LEU HD12 H 1 0.818 0.005 . 1 . . . B 385 LEU HD12 . 18808 1 762 . 2 2 14 14 LEU HD13 H 1 0.818 0.005 . 1 . . . B 385 LEU HD13 . 18808 1 763 . 2 2 14 14 LEU HD21 H 1 0.827 0.004 . 1 . . . B 385 LEU HD21 . 18808 1 764 . 2 2 14 14 LEU HD22 H 1 0.827 0.004 . 1 . . . B 385 LEU HD22 . 18808 1 765 . 2 2 14 14 LEU HD23 H 1 0.827 0.004 . 1 . . . B 385 LEU HD23 . 18808 1 766 . 2 2 14 14 LEU CA C 13 51.570 0.019 . 1 . . . B 385 LEU CA . 18808 1 767 . 2 2 14 14 LEU CB C 13 41.755 0.006 . 1 . . . B 385 LEU CB . 18808 1 768 . 2 2 14 14 LEU CG C 13 26.766 0.110 . 1 . . . B 385 LEU CG . 18808 1 769 . 2 2 14 14 LEU CD1 C 13 22.098 0.034 . 1 . . . B 385 LEU CD1 . 18808 1 770 . 2 2 14 14 LEU CD2 C 13 25.277 0.078 . 1 . . . B 385 LEU CD2 . 18808 1 771 . 2 2 14 14 LEU N N 15 124.043 0.047 . 1 . . . B 385 LEU N . 18808 1 772 . 2 2 15 15 PRO CA C 13 66.416 0.044 . 1 . . . B 386 PRO CA . 18808 1 773 . 2 2 16 16 GLU H H 1 9.064 0.004 . 1 . . . B 387 GLU H . 18808 1 774 . 2 2 16 16 GLU CA C 13 58.889 0.018 . 1 . . . B 387 GLU CA . 18808 1 775 . 2 2 16 16 GLU CB C 13 28.137 0.118 . 1 . . . B 387 GLU CB . 18808 1 776 . 2 2 16 16 GLU N N 15 112.494 0.027 . 1 . . . B 387 GLU N . 18808 1 777 . 2 2 17 17 GLU H H 1 7.776 0.011 . 1 . . . B 388 GLU H . 18808 1 778 . 2 2 17 17 GLU CA C 13 57.547 0.036 . 1 . . . B 388 GLU CA . 18808 1 779 . 2 2 17 17 GLU CB C 13 28.716 0.000 . 1 . . . B 388 GLU CB . 18808 1 780 . 2 2 17 17 GLU N N 15 119.488 0.069 . 1 . . . B 388 GLU N . 18808 1 781 . 2 2 18 18 LEU H H 1 7.313 0.005 . 1 . . . B 389 LEU H . 18808 1 782 . 2 2 18 18 LEU HD11 H 1 0.903 0.003 . 1 . . . B 389 LEU HD11 . 18808 1 783 . 2 2 18 18 LEU HD12 H 1 0.903 0.003 . 1 . . . B 389 LEU HD12 . 18808 1 784 . 2 2 18 18 LEU HD13 H 1 0.903 0.003 . 1 . . . B 389 LEU HD13 . 18808 1 785 . 2 2 18 18 LEU HD21 H 1 1.003 0.003 . 1 . . . B 389 LEU HD21 . 18808 1 786 . 2 2 18 18 LEU HD22 H 1 1.003 0.003 . 1 . . . B 389 LEU HD22 . 18808 1 787 . 2 2 18 18 LEU HD23 H 1 1.003 0.003 . 1 . . . B 389 LEU HD23 . 18808 1 788 . 2 2 18 18 LEU CA C 13 54.002 0.118 . 1 . . . B 389 LEU CA . 18808 1 789 . 2 2 18 18 LEU CG C 13 25.671 0.000 . 1 . . . B 389 LEU CG . 18808 1 790 . 2 2 18 18 LEU CD1 C 13 22.042 0.027 . 1 . . . B 389 LEU CD1 . 18808 1 791 . 2 2 18 18 LEU CD2 C 13 26.516 0.031 . 1 . . . B 389 LEU CD2 . 18808 1 792 . 2 2 18 18 LEU N N 15 113.242 0.046 . 1 . . . B 389 LEU N . 18808 1 793 . 2 2 19 19 LEU H H 1 7.173 0.003 . 1 . . . B 390 LEU H . 18808 1 794 . 2 2 19 19 LEU HD11 H 1 0.786 0.006 . 1 . . . B 390 LEU HD11 . 18808 1 795 . 2 2 19 19 LEU HD12 H 1 0.786 0.006 . 1 . . . B 390 LEU HD12 . 18808 1 796 . 2 2 19 19 LEU HD13 H 1 0.786 0.006 . 1 . . . B 390 LEU HD13 . 18808 1 797 . 2 2 19 19 LEU HD21 H 1 0.901 0.005 . 1 . . . B 390 LEU HD21 . 18808 1 798 . 2 2 19 19 LEU HD22 H 1 0.901 0.005 . 1 . . . B 390 LEU HD22 . 18808 1 799 . 2 2 19 19 LEU HD23 H 1 0.901 0.005 . 1 . . . B 390 LEU HD23 . 18808 1 800 . 2 2 19 19 LEU CA C 13 56.297 0.181 . 1 . . . B 390 LEU CA . 18808 1 801 . 2 2 19 19 LEU CB C 13 42.642 0.012 . 1 . . . B 390 LEU CB . 18808 1 802 . 2 2 19 19 LEU CG C 13 26.480 0.000 . 1 . . . B 390 LEU CG . 18808 1 803 . 2 2 19 19 LEU CD1 C 13 22.952 0.073 . 1 . . . B 390 LEU CD1 . 18808 1 804 . 2 2 19 19 LEU CD2 C 13 25.043 0.049 . 1 . . . B 390 LEU CD2 . 18808 1 805 . 2 2 19 19 LEU N N 15 118.430 0.203 . 1 . . . B 390 LEU N . 18808 1 806 . 2 2 20 20 ASP H H 1 7.855 0.004 . 1 . . . B 391 ASP H . 18808 1 807 . 2 2 20 20 ASP CA C 13 53.485 0.044 . 1 . . . B 391 ASP CA . 18808 1 808 . 2 2 20 20 ASP CB C 13 42.635 0.009 . 1 . . . B 391 ASP CB . 18808 1 809 . 2 2 20 20 ASP N N 15 120.764 0.125 . 1 . . . B 391 ASP N . 18808 1 810 . 2 2 21 21 ASP H H 1 8.873 0.003 . 1 . . . B 392 ASP H . 18808 1 811 . 2 2 21 21 ASP CA C 13 58.467 0.123 . 1 . . . B 392 ASP CA . 18808 1 812 . 2 2 21 21 ASP CB C 13 40.367 0.080 . 1 . . . B 392 ASP CB . 18808 1 813 . 2 2 21 21 ASP N N 15 126.540 0.055 . 1 . . . B 392 ASP N . 18808 1 814 . 2 2 22 22 GLU H H 1 8.179 0.005 . 1 . . . B 393 GLU H . 18808 1 815 . 2 2 22 22 GLU CA C 13 59.453 0.129 . 1 . . . B 393 GLU CA . 18808 1 816 . 2 2 22 22 GLU CB C 13 28.885 0.001 . 1 . . . B 393 GLU CB . 18808 1 817 . 2 2 22 22 GLU N N 15 119.230 0.040 . 1 . . . B 393 GLU N . 18808 1 818 . 2 2 23 23 GLU H H 1 8.168 0.002 . 1 . . . B 394 GLU H . 18808 1 819 . 2 2 23 23 GLU CA C 13 59.326 0.067 . 1 . . . B 394 GLU CA . 18808 1 820 . 2 2 23 23 GLU CB C 13 28.886 0.000 . 1 . . . B 394 GLU CB . 18808 1 821 . 2 2 23 23 GLU N N 15 121.817 0.020 . 1 . . . B 394 GLU N . 18808 1 822 . 2 2 24 24 TYR H H 1 8.798 0.004 . 1 . . . B 395 TYR H . 18808 1 823 . 2 2 24 24 TYR CA C 13 62.587 0.041 . 1 . . . B 395 TYR CA . 18808 1 824 . 2 2 24 24 TYR CB C 13 38.242 0.002 . 1 . . . B 395 TYR CB . 18808 1 825 . 2 2 24 24 TYR N N 15 118.749 0.035 . 1 . . . B 395 TYR N . 18808 1 826 . 2 2 25 25 GLU H H 1 7.919 0.006 . 1 . . . B 396 GLU H . 18808 1 827 . 2 2 25 25 GLU CA C 13 59.251 0.052 . 1 . . . B 396 GLU CA . 18808 1 828 . 2 2 25 25 GLU N N 15 116.191 0.019 . 1 . . . B 396 GLU N . 18808 1 829 . 2 2 26 26 GLU H H 1 7.758 0.004 . 1 . . . B 397 GLU H . 18808 1 830 . 2 2 26 26 GLU CA C 13 59.714 0.077 . 1 . . . B 397 GLU CA . 18808 1 831 . 2 2 26 26 GLU CB C 13 28.983 0.078 . 1 . . . B 397 GLU CB . 18808 1 832 . 2 2 26 26 GLU N N 15 118.790 0.051 . 1 . . . B 397 GLU N . 18808 1 833 . 2 2 27 27 ILE H H 1 8.278 0.006 . 1 . . . B 398 ILE H . 18808 1 834 . 2 2 27 27 ILE HD11 H 1 0.806 0.007 . 1 . . . B 398 ILE HD11 . 18808 1 835 . 2 2 27 27 ILE HD12 H 1 0.806 0.007 . 1 . . . B 398 ILE HD12 . 18808 1 836 . 2 2 27 27 ILE HD13 H 1 0.806 0.007 . 1 . . . B 398 ILE HD13 . 18808 1 837 . 2 2 27 27 ILE CA C 13 66.461 0.013 . 1 . . . B 398 ILE CA . 18808 1 838 . 2 2 27 27 ILE CB C 13 37.148 0.034 . 1 . . . B 398 ILE CB . 18808 1 839 . 2 2 27 27 ILE CD1 C 13 13.835 0.002 . 1 . . . B 398 ILE CD1 . 18808 1 840 . 2 2 27 27 ILE N N 15 122.201 0.027 . 1 . . . B 398 ILE N . 18808 1 841 . 2 2 28 28 VAL H H 1 8.069 0.004 . 1 . . . B 399 VAL H . 18808 1 842 . 2 2 28 28 VAL HG11 H 1 0.772 0.006 . 1 . . . B 399 VAL HG11 . 18808 1 843 . 2 2 28 28 VAL HG12 H 1 0.772 0.006 . 1 . . . B 399 VAL HG12 . 18808 1 844 . 2 2 28 28 VAL HG13 H 1 0.772 0.006 . 1 . . . B 399 VAL HG13 . 18808 1 845 . 2 2 28 28 VAL HG21 H 1 0.464 0.004 . 1 . . . B 399 VAL HG21 . 18808 1 846 . 2 2 28 28 VAL HG22 H 1 0.464 0.004 . 1 . . . B 399 VAL HG22 . 18808 1 847 . 2 2 28 28 VAL HG23 H 1 0.464 0.004 . 1 . . . B 399 VAL HG23 . 18808 1 848 . 2 2 28 28 VAL CA C 13 66.993 0.366 . 1 . . . B 399 VAL CA . 18808 1 849 . 2 2 28 28 VAL CB C 13 31.441 0.017 . 1 . . . B 399 VAL CB . 18808 1 850 . 2 2 28 28 VAL CG1 C 13 21.276 0.070 . 1 . . . B 399 VAL CG1 . 18808 1 851 . 2 2 28 28 VAL CG2 C 13 22.241 0.039 . 1 . . . B 399 VAL CG2 . 18808 1 852 . 2 2 28 28 VAL N N 15 119.131 0.165 . 1 . . . B 399 VAL N . 18808 1 853 . 2 2 29 29 GLU H H 1 7.589 0.002 . 1 . . . B 400 GLU H . 18808 1 854 . 2 2 29 29 GLU CA C 13 59.066 0.061 . 1 . . . B 400 GLU CA . 18808 1 855 . 2 2 29 29 GLU CB C 13 28.775 0.103 . 1 . . . B 400 GLU CB . 18808 1 856 . 2 2 29 29 GLU N N 15 116.340 0.019 . 1 . . . B 400 GLU N . 18808 1 857 . 2 2 30 30 ASP H H 1 8.494 0.004 . 1 . . . B 401 ASP H . 18808 1 858 . 2 2 30 30 ASP CA C 13 56.807 0.033 . 1 . . . B 401 ASP CA . 18808 1 859 . 2 2 30 30 ASP CB C 13 41.650 0.001 . 1 . . . B 401 ASP CB . 18808 1 860 . 2 2 30 30 ASP N N 15 120.687 0.026 . 1 . . . B 401 ASP N . 18808 1 861 . 2 2 31 31 VAL H H 1 8.737 0.006 . 1 . . . B 402 VAL H . 18808 1 862 . 2 2 31 31 VAL HG21 H 1 0.793 0.004 . 1 . . . B 402 VAL HG21 . 18808 1 863 . 2 2 31 31 VAL HG22 H 1 0.793 0.004 . 1 . . . B 402 VAL HG22 . 18808 1 864 . 2 2 31 31 VAL HG23 H 1 0.793 0.004 . 1 . . . B 402 VAL HG23 . 18808 1 865 . 2 2 31 31 VAL CA C 13 67.780 0.000 . 1 . . . B 402 VAL CA . 18808 1 866 . 2 2 31 31 VAL CG2 C 13 23.815 0.019 . 1 . . . B 402 VAL CG2 . 18808 1 867 . 2 2 31 31 VAL N N 15 120.129 0.247 . 1 . . . B 402 VAL N . 18808 1 868 . 2 2 32 32 ARG H H 1 9.014 0.003 . 1 . . . B 403 ARG H . 18808 1 869 . 2 2 32 32 ARG CA C 13 61.226 0.025 . 1 . . . B 403 ARG CA . 18808 1 870 . 2 2 32 32 ARG CB C 13 29.696 0.000 . 1 . . . B 403 ARG CB . 18808 1 871 . 2 2 32 32 ARG N N 15 122.395 0.009 . 1 . . . B 403 ARG N . 18808 1 872 . 2 2 33 33 ASP H H 1 9.112 0.004 . 1 . . . B 404 ASP H . 18808 1 873 . 2 2 33 33 ASP CA C 13 57.746 0.044 . 1 . . . B 404 ASP CA . 18808 1 874 . 2 2 33 33 ASP CB C 13 40.158 0.053 . 1 . . . B 404 ASP CB . 18808 1 875 . 2 2 33 33 ASP N N 15 119.634 0.023 . 1 . . . B 404 ASP N . 18808 1 876 . 2 2 34 34 GLU H H 1 7.396 0.004 . 1 . . . B 405 GLU H . 18808 1 877 . 2 2 34 34 GLU CA C 13 58.879 0.018 . 1 . . . B 405 GLU CA . 18808 1 878 . 2 2 34 34 GLU CB C 13 29.017 0.093 . 1 . . . B 405 GLU CB . 18808 1 879 . 2 2 34 34 GLU N N 15 120.426 0.033 . 1 . . . B 405 GLU N . 18808 1 880 . 2 2 35 35 CYS H H 1 8.447 0.004 . 1 . . . B 406 CYS H . 18808 1 881 . 2 2 35 35 CYS HG H 1 2.597 0.001 . 1 . . . B 406 CYS HG . 18808 1 882 . 2 2 35 35 CYS CA C 13 65.582 0.015 . 1 . . . B 406 CYS CA . 18808 1 883 . 2 2 35 35 CYS CB C 13 27.056 0.036 . 1 . . . B 406 CYS CB . 18808 1 884 . 2 2 35 35 CYS N N 15 114.288 0.092 . 1 . . . B 406 CYS N . 18808 1 885 . 2 2 36 36 SER H H 1 8.166 0.004 . 1 . . . B 407 SER H . 18808 1 886 . 2 2 36 36 SER CA C 13 60.731 0.020 . 1 . . . B 407 SER CA . 18808 1 887 . 2 2 36 36 SER CB C 13 62.928 0.111 . 1 . . . B 407 SER CB . 18808 1 888 . 2 2 36 36 SER N N 15 113.735 0.032 . 1 . . . B 407 SER N . 18808 1 889 . 2 2 37 37 LYS H H 1 7.300 0.002 . 1 . . . B 408 LYS H . 18808 1 890 . 2 2 37 37 LYS CA C 13 58.461 0.022 . 1 . . . B 408 LYS CA . 18808 1 891 . 2 2 37 37 LYS CB C 13 31.208 0.000 . 1 . . . B 408 LYS CB . 18808 1 892 . 2 2 37 37 LYS N N 15 120.175 0.122 . 1 . . . B 408 LYS N . 18808 1 893 . 2 2 38 38 TYR H H 1 7.683 0.002 . 1 . . . B 409 TYR H . 18808 1 894 . 2 2 38 38 TYR CA C 13 58.942 0.019 . 1 . . . B 409 TYR CA . 18808 1 895 . 2 2 38 38 TYR CB C 13 39.159 0.000 . 1 . . . B 409 TYR CB . 18808 1 896 . 2 2 38 38 TYR N N 15 116.423 0.016 . 1 . . . B 409 TYR N . 18808 1 897 . 2 2 39 39 GLY H H 1 7.455 0.003 . 1 . . . B 410 GLY H . 18808 1 898 . 2 2 39 39 GLY CA C 13 44.565 0.096 . 1 . . . B 410 GLY CA . 18808 1 899 . 2 2 39 39 GLY N N 15 103.825 0.023 . 1 . . . B 410 GLY N . 18808 1 900 . 2 2 40 40 LEU H H 1 8.357 0.003 . 1 . . . B 411 LEU H . 18808 1 901 . 2 2 40 40 LEU HD11 H 1 0.950 0.005 . 1 . . . B 411 LEU HD11 . 18808 1 902 . 2 2 40 40 LEU HD12 H 1 0.950 0.005 . 1 . . . B 411 LEU HD12 . 18808 1 903 . 2 2 40 40 LEU HD13 H 1 0.950 0.005 . 1 . . . B 411 LEU HD13 . 18808 1 904 . 2 2 40 40 LEU HD21 H 1 0.888 0.005 . 1 . . . B 411 LEU HD21 . 18808 1 905 . 2 2 40 40 LEU HD22 H 1 0.888 0.005 . 1 . . . B 411 LEU HD22 . 18808 1 906 . 2 2 40 40 LEU HD23 H 1 0.888 0.005 . 1 . . . B 411 LEU HD23 . 18808 1 907 . 2 2 40 40 LEU CA C 13 55.518 0.170 . 1 . . . B 411 LEU CA . 18808 1 908 . 2 2 40 40 LEU CB C 13 42.009 0.000 . 1 . . . B 411 LEU CB . 18808 1 909 . 2 2 40 40 LEU CG C 13 27.000 0.008 . 1 . . . B 411 LEU CG . 18808 1 910 . 2 2 40 40 LEU CD1 C 13 24.264 0.088 . 1 . . . B 411 LEU CD1 . 18808 1 911 . 2 2 40 40 LEU CD2 C 13 24.511 0.037 . 1 . . . B 411 LEU CD2 . 18808 1 912 . 2 2 40 40 LEU N N 15 119.119 0.017 . 1 . . . B 411 LEU N . 18808 1 913 . 2 2 41 41 VAL H H 1 8.680 0.006 . 1 . . . B 412 VAL H . 18808 1 914 . 2 2 41 41 VAL HG11 H 1 0.516 0.004 . 1 . . . B 412 VAL HG11 . 18808 1 915 . 2 2 41 41 VAL HG12 H 1 0.516 0.004 . 1 . . . B 412 VAL HG12 . 18808 1 916 . 2 2 41 41 VAL HG13 H 1 0.516 0.004 . 1 . . . B 412 VAL HG13 . 18808 1 917 . 2 2 41 41 VAL HG21 H 1 0.599 0.002 . 1 . . . B 412 VAL HG21 . 18808 1 918 . 2 2 41 41 VAL HG22 H 1 0.599 0.002 . 1 . . . B 412 VAL HG22 . 18808 1 919 . 2 2 41 41 VAL HG23 H 1 0.599 0.002 . 1 . . . B 412 VAL HG23 . 18808 1 920 . 2 2 41 41 VAL CA C 13 62.329 0.009 . 1 . . . B 412 VAL CA . 18808 1 921 . 2 2 41 41 VAL CB C 13 32.015 0.000 . 1 . . . B 412 VAL CB . 18808 1 922 . 2 2 41 41 VAL CG1 C 13 21.566 0.044 . 1 . . . B 412 VAL CG1 . 18808 1 923 . 2 2 41 41 VAL CG2 C 13 22.118 0.049 . 1 . . . B 412 VAL CG2 . 18808 1 924 . 2 2 41 41 VAL N N 15 127.328 0.141 . 1 . . . B 412 VAL N . 18808 1 925 . 2 2 42 42 LYS H H 1 9.379 0.004 . 1 . . . B 413 LYS H . 18808 1 926 . 2 2 42 42 LYS CA C 13 57.696 0.017 . 1 . . . B 413 LYS CA . 18808 1 927 . 2 2 42 42 LYS CB C 13 34.011 0.118 . 1 . . . B 413 LYS CB . 18808 1 928 . 2 2 42 42 LYS N N 15 131.078 0.007 . 1 . . . B 413 LYS N . 18808 1 929 . 2 2 43 43 SER H H 1 7.977 0.007 . 1 . . . B 414 SER H . 18808 1 930 . 2 2 43 43 SER CA C 13 58.628 0.038 . 1 . . . B 414 SER CA . 18808 1 931 . 2 2 43 43 SER CB C 13 65.371 0.016 . 1 . . . B 414 SER CB . 18808 1 932 . 2 2 43 43 SER N N 15 110.375 0.081 . 1 . . . B 414 SER N . 18808 1 933 . 2 2 44 44 ILE H H 1 8.242 0.004 . 1 . . . B 415 ILE H . 18808 1 934 . 2 2 44 44 ILE HD11 H 1 0.726 0.004 . 1 . . . B 415 ILE HD11 . 18808 1 935 . 2 2 44 44 ILE HD12 H 1 0.726 0.004 . 1 . . . B 415 ILE HD12 . 18808 1 936 . 2 2 44 44 ILE HD13 H 1 0.726 0.004 . 1 . . . B 415 ILE HD13 . 18808 1 937 . 2 2 44 44 ILE CA C 13 60.011 0.024 . 1 . . . B 415 ILE CA . 18808 1 938 . 2 2 44 44 ILE CB C 13 41.855 0.036 . 1 . . . B 415 ILE CB . 18808 1 939 . 2 2 44 44 ILE CD1 C 13 14.446 0.018 . 1 . . . B 415 ILE CD1 . 18808 1 940 . 2 2 44 44 ILE N N 15 118.513 0.132 . 1 . . . B 415 ILE N . 18808 1 941 . 2 2 45 45 GLU H H 1 9.387 0.002 . 1 . . . B 416 GLU H . 18808 1 942 . 2 2 45 45 GLU CA C 13 55.024 0.021 . 1 . . . B 416 GLU CA . 18808 1 943 . 2 2 45 45 GLU CB C 13 32.651 0.004 . 1 . . . B 416 GLU CB . 18808 1 944 . 2 2 45 45 GLU N N 15 125.734 0.034 . 1 . . . B 416 GLU N . 18808 1 945 . 2 2 46 46 ILE H H 1 8.787 0.006 . 1 . . . B 417 ILE H . 18808 1 946 . 2 2 46 46 ILE HD11 H 1 0.549 0.005 . 1 . . . B 417 ILE HD11 . 18808 1 947 . 2 2 46 46 ILE HD12 H 1 0.549 0.005 . 1 . . . B 417 ILE HD12 . 18808 1 948 . 2 2 46 46 ILE HD13 H 1 0.549 0.005 . 1 . . . B 417 ILE HD13 . 18808 1 949 . 2 2 46 46 ILE CA C 13 59.199 0.008 . 1 . . . B 417 ILE CA . 18808 1 950 . 2 2 46 46 ILE CB C 13 38.324 0.000 . 1 . . . B 417 ILE CB . 18808 1 951 . 2 2 46 46 ILE CD1 C 13 13.940 0.011 . 1 . . . B 417 ILE CD1 . 18808 1 952 . 2 2 46 46 ILE N N 15 122.883 0.031 . 1 . . . B 417 ILE N . 18808 1 953 . 2 2 47 47 PRO CA C 13 63.828 0.000 . 1 . . . B 418 PRO CA . 18808 1 954 . 2 2 48 48 ARG H H 1 8.019 0.002 . 1 . . . B 419 ARG H . 18808 1 955 . 2 2 48 48 ARG CA C 13 53.632 0.034 . 1 . . . B 419 ARG CA . 18808 1 956 . 2 2 48 48 ARG CB C 13 31.536 0.000 . 1 . . . B 419 ARG CB . 18808 1 957 . 2 2 48 48 ARG N N 15 120.821 0.151 . 1 . . . B 419 ARG N . 18808 1 958 . 2 2 49 49 PRO CA C 13 63.312 0.151 . 1 . . . B 420 PRO CA . 18808 1 959 . 2 2 49 49 PRO CB C 13 31.536 0.000 . 1 . . . B 420 PRO CB . 18808 1 960 . 2 2 50 50 VAL H H 1 8.037 0.004 . 1 . . . B 421 VAL H . 18808 1 961 . 2 2 50 50 VAL HG11 H 1 0.876 0.009 . 1 . . . B 421 VAL HG11 . 18808 1 962 . 2 2 50 50 VAL HG12 H 1 0.876 0.009 . 1 . . . B 421 VAL HG12 . 18808 1 963 . 2 2 50 50 VAL HG13 H 1 0.876 0.009 . 1 . . . B 421 VAL HG13 . 18808 1 964 . 2 2 50 50 VAL CA C 13 61.298 0.000 . 1 . . . B 421 VAL CA . 18808 1 965 . 2 2 50 50 VAL CG1 C 13 21.003 0.013 . 1 . . . B 421 VAL CG1 . 18808 1 966 . 2 2 50 50 VAL N N 15 121.382 0.160 . 1 . . . B 421 VAL N . 18808 1 967 . 2 2 51 51 ASP H H 1 8.817 0.004 . 1 . . . B 422 ASP H . 18808 1 968 . 2 2 51 51 ASP CA C 13 56.051 0.015 . 1 . . . B 422 ASP CA . 18808 1 969 . 2 2 51 51 ASP CB C 13 40.185 0.010 . 1 . . . B 422 ASP CB . 18808 1 970 . 2 2 51 51 ASP N N 15 127.123 0.011 . 1 . . . B 422 ASP N . 18808 1 971 . 2 2 52 52 GLY H H 1 8.639 0.003 . 1 . . . B 423 GLY H . 18808 1 972 . 2 2 52 52 GLY CA C 13 45.432 0.020 . 1 . . . B 423 GLY CA . 18808 1 973 . 2 2 52 52 GLY N N 15 108.215 0.015 . 1 . . . B 423 GLY N . 18808 1 974 . 2 2 53 53 VAL H H 1 7.872 0.004 . 1 . . . B 424 VAL H . 18808 1 975 . 2 2 53 53 VAL HG11 H 1 0.833 0.002 . 1 . . . B 424 VAL HG11 . 18808 1 976 . 2 2 53 53 VAL HG12 H 1 0.833 0.002 . 1 . . . B 424 VAL HG12 . 18808 1 977 . 2 2 53 53 VAL HG13 H 1 0.833 0.002 . 1 . . . B 424 VAL HG13 . 18808 1 978 . 2 2 53 53 VAL HG21 H 1 0.830 0.000 . 1 . . . B 424 VAL HG21 . 18808 1 979 . 2 2 53 53 VAL HG22 H 1 0.830 0.000 . 1 . . . B 424 VAL HG22 . 18808 1 980 . 2 2 53 53 VAL HG23 H 1 0.830 0.000 . 1 . . . B 424 VAL HG23 . 18808 1 981 . 2 2 53 53 VAL CG1 C 13 20.965 0.000 . 1 . . . B 424 VAL CG1 . 18808 1 982 . 2 2 53 53 VAL CG2 C 13 20.965 0.000 . 1 . . . B 424 VAL CG2 . 18808 1 983 . 2 2 53 53 VAL N N 15 121.024 0.022 . 1 . . . B 424 VAL N . 18808 1 984 . 2 2 54 54 GLU H H 1 8.644 0.005 . 1 . . . B 425 GLU H . 18808 1 985 . 2 2 54 54 GLU CA C 13 56.455 0.024 . 1 . . . B 425 GLU CA . 18808 1 986 . 2 2 54 54 GLU CB C 13 28.764 0.007 . 1 . . . B 425 GLU CB . 18808 1 987 . 2 2 54 54 GLU N N 15 126.116 0.006 . 1 . . . B 425 GLU N . 18808 1 988 . 2 2 55 55 VAL H H 1 7.689 0.004 . 1 . . . B 426 VAL H . 18808 1 989 . 2 2 55 55 VAL HG11 H 1 0.945 0.003 . 1 . . . B 426 VAL HG11 . 18808 1 990 . 2 2 55 55 VAL HG12 H 1 0.945 0.003 . 1 . . . B 426 VAL HG12 . 18808 1 991 . 2 2 55 55 VAL HG13 H 1 0.945 0.003 . 1 . . . B 426 VAL HG13 . 18808 1 992 . 2 2 55 55 VAL HG21 H 1 0.954 0.001 . 1 . . . B 426 VAL HG21 . 18808 1 993 . 2 2 55 55 VAL HG22 H 1 0.954 0.001 . 1 . . . B 426 VAL HG22 . 18808 1 994 . 2 2 55 55 VAL HG23 H 1 0.954 0.001 . 1 . . . B 426 VAL HG23 . 18808 1 995 . 2 2 55 55 VAL CG1 C 13 20.056 0.010 . 1 . . . B 426 VAL CG1 . 18808 1 996 . 2 2 55 55 VAL CG2 C 13 20.813 0.016 . 1 . . . B 426 VAL CG2 . 18808 1 997 . 2 2 55 55 VAL N N 15 124.448 0.007 . 1 . . . B 426 VAL N . 18808 1 998 . 2 2 56 56 PRO CA C 13 64.085 0.022 . 1 . . . B 427 PRO CA . 18808 1 999 . 2 2 56 56 PRO CB C 13 31.201 0.000 . 1 . . . B 427 PRO CB . 18808 1 1000 . 2 2 57 57 GLY H H 1 8.633 0.003 . 1 . . . B 428 GLY H . 18808 1 1001 . 2 2 57 57 GLY CA C 13 45.502 0.014 . 1 . . . B 428 GLY CA . 18808 1 1002 . 2 2 57 57 GLY N N 15 109.626 0.037 . 1 . . . B 428 GLY N . 18808 1 1003 . 2 2 58 58 CYS H H 1 7.723 0.003 . 1 . . . B 429 CYS H . 18808 1 1004 . 2 2 58 58 CYS CA C 13 62.001 0.057 . 1 . . . B 429 CYS CA . 18808 1 1005 . 2 2 58 58 CYS CB C 13 26.293 0.042 . 1 . . . B 429 CYS CB . 18808 1 1006 . 2 2 58 58 CYS N N 15 118.621 0.012 . 1 . . . B 429 CYS N . 18808 1 1007 . 2 2 59 59 GLY H H 1 10.546 0.007 . 1 . . . B 430 GLY H . 18808 1 1008 . 2 2 59 59 GLY CA C 13 44.540 0.063 . 1 . . . B 430 GLY CA . 18808 1 1009 . 2 2 59 59 GLY N N 15 119.070 0.043 . 1 . . . B 430 GLY N . 18808 1 1010 . 2 2 60 60 LYS H H 1 8.365 0.005 . 1 . . . B 431 LYS H . 18808 1 1011 . 2 2 60 60 LYS CA C 13 55.771 0.028 . 1 . . . B 431 LYS CA . 18808 1 1012 . 2 2 60 60 LYS CB C 13 35.371 0.015 . 1 . . . B 431 LYS CB . 18808 1 1013 . 2 2 60 60 LYS N N 15 123.171 0.068 . 1 . . . B 431 LYS N . 18808 1 1014 . 2 2 61 61 ILE H H 1 7.525 0.005 . 1 . . . B 432 ILE H . 18808 1 1015 . 2 2 61 61 ILE HD11 H 1 0.515 0.008 . 1 . . . B 432 ILE HD11 . 18808 1 1016 . 2 2 61 61 ILE HD12 H 1 0.515 0.008 . 1 . . . B 432 ILE HD12 . 18808 1 1017 . 2 2 61 61 ILE HD13 H 1 0.515 0.008 . 1 . . . B 432 ILE HD13 . 18808 1 1018 . 2 2 61 61 ILE CA C 13 60.326 0.023 . 1 . . . B 432 ILE CA . 18808 1 1019 . 2 2 61 61 ILE CB C 13 40.430 0.025 . 1 . . . B 432 ILE CB . 18808 1 1020 . 2 2 61 61 ILE CD1 C 13 14.227 0.016 . 1 . . . B 432 ILE CD1 . 18808 1 1021 . 2 2 61 61 ILE N N 15 118.745 0.035 . 1 . . . B 432 ILE N . 18808 1 1022 . 2 2 62 62 PHE H H 1 8.982 0.005 . 1 . . . B 433 PHE H . 18808 1 1023 . 2 2 62 62 PHE CA C 13 56.252 0.027 . 1 . . . B 433 PHE CA . 18808 1 1024 . 2 2 62 62 PHE CB C 13 42.043 0.006 . 1 . . . B 433 PHE CB . 18808 1 1025 . 2 2 62 62 PHE N N 15 125.149 0.078 . 1 . . . B 433 PHE N . 18808 1 1026 . 2 2 63 63 VAL H H 1 9.234 0.008 . 1 . . . B 434 VAL H . 18808 1 1027 . 2 2 63 63 VAL HG11 H 1 0.740 0.004 . 1 . . . B 434 VAL HG11 . 18808 1 1028 . 2 2 63 63 VAL HG12 H 1 0.740 0.004 . 1 . . . B 434 VAL HG12 . 18808 1 1029 . 2 2 63 63 VAL HG13 H 1 0.740 0.004 . 1 . . . B 434 VAL HG13 . 18808 1 1030 . 2 2 63 63 VAL HG21 H 1 0.359 0.010 . 1 . . . B 434 VAL HG21 . 18808 1 1031 . 2 2 63 63 VAL HG22 H 1 0.359 0.010 . 1 . . . B 434 VAL HG22 . 18808 1 1032 . 2 2 63 63 VAL HG23 H 1 0.359 0.010 . 1 . . . B 434 VAL HG23 . 18808 1 1033 . 2 2 63 63 VAL CA C 13 61.475 0.089 . 1 . . . B 434 VAL CA . 18808 1 1034 . 2 2 63 63 VAL CB C 13 34.532 0.011 . 1 . . . B 434 VAL CB . 18808 1 1035 . 2 2 63 63 VAL CG1 C 13 20.630 0.076 . 1 . . . B 434 VAL CG1 . 18808 1 1036 . 2 2 63 63 VAL CG2 C 13 22.267 0.051 . 1 . . . B 434 VAL CG2 . 18808 1 1037 . 2 2 63 63 VAL N N 15 122.621 0.052 . 1 . . . B 434 VAL N . 18808 1 1038 . 2 2 64 64 GLU H H 1 8.710 0.003 . 1 . . . B 435 GLU H . 18808 1 1039 . 2 2 64 64 GLU CA C 13 54.251 0.010 . 1 . . . B 435 GLU CA . 18808 1 1040 . 2 2 64 64 GLU CB C 13 30.380 0.017 . 1 . . . B 435 GLU CB . 18808 1 1041 . 2 2 64 64 GLU N N 15 127.886 0.005 . 1 . . . B 435 GLU N . 18808 1 1042 . 2 2 65 65 PHE H H 1 9.442 0.005 . 1 . . . B 436 PHE H . 18808 1 1043 . 2 2 65 65 PHE CA C 13 57.873 0.024 . 1 . . . B 436 PHE CA . 18808 1 1044 . 2 2 65 65 PHE CB C 13 41.246 0.013 . 1 . . . B 436 PHE CB . 18808 1 1045 . 2 2 65 65 PHE N N 15 126.630 0.048 . 1 . . . B 436 PHE N . 18808 1 1046 . 2 2 66 66 THR H H 1 9.102 0.003 . 1 . . . B 437 THR H . 18808 1 1047 . 2 2 66 66 THR CA C 13 63.755 0.077 . 1 . . . B 437 THR CA . 18808 1 1048 . 2 2 66 66 THR CB C 13 69.511 0.011 . 1 . . . B 437 THR CB . 18808 1 1049 . 2 2 66 66 THR N N 15 109.734 0.007 . 1 . . . B 437 THR N . 18808 1 1050 . 2 2 67 67 SER H H 1 7.568 0.006 . 1 . . . B 438 SER H . 18808 1 1051 . 2 2 67 67 SER CA C 13 56.209 0.006 . 1 . . . B 438 SER CA . 18808 1 1052 . 2 2 67 67 SER CB C 13 66.272 0.025 . 1 . . . B 438 SER CB . 18808 1 1053 . 2 2 67 67 SER N N 15 111.749 0.053 . 1 . . . B 438 SER N . 18808 1 1054 . 2 2 68 68 VAL H H 1 8.911 0.004 . 1 . . . B 439 VAL H . 18808 1 1055 . 2 2 68 68 VAL HG11 H 1 0.593 0.040 . 1 . . . B 439 VAL HG11 . 18808 1 1056 . 2 2 68 68 VAL HG12 H 1 0.593 0.040 . 1 . . . B 439 VAL HG12 . 18808 1 1057 . 2 2 68 68 VAL HG13 H 1 0.593 0.040 . 1 . . . B 439 VAL HG13 . 18808 1 1058 . 2 2 68 68 VAL HG21 H 1 0.691 0.047 . 1 . . . B 439 VAL HG21 . 18808 1 1059 . 2 2 68 68 VAL HG22 H 1 0.691 0.047 . 1 . . . B 439 VAL HG22 . 18808 1 1060 . 2 2 68 68 VAL HG23 H 1 0.691 0.047 . 1 . . . B 439 VAL HG23 . 18808 1 1061 . 2 2 68 68 VAL CA C 13 64.863 0.026 . 1 . . . B 439 VAL CA . 18808 1 1062 . 2 2 68 68 VAL CB C 13 31.041 0.011 . 1 . . . B 439 VAL CB . 18808 1 1063 . 2 2 68 68 VAL CG1 C 13 20.928 0.128 . 1 . . . B 439 VAL CG1 . 18808 1 1064 . 2 2 68 68 VAL CG2 C 13 21.387 0.137 . 1 . . . B 439 VAL CG2 . 18808 1 1065 . 2 2 68 68 VAL N N 15 123.276 0.113 . 1 . . . B 439 VAL N . 18808 1 1066 . 2 2 69 69 PHE H H 1 7.713 0.003 . 1 . . . B 440 PHE H . 18808 1 1067 . 2 2 69 69 PHE CA C 13 60.561 0.021 . 1 . . . B 440 PHE CA . 18808 1 1068 . 2 2 69 69 PHE CB C 13 38.364 0.043 . 1 . . . B 440 PHE CB . 18808 1 1069 . 2 2 69 69 PHE N N 15 119.599 0.004 . 1 . . . B 440 PHE N . 18808 1 1070 . 2 2 70 70 ASP H H 1 7.659 0.004 . 1 . . . B 441 ASP H . 18808 1 1071 . 2 2 70 70 ASP CA C 13 57.072 0.050 . 1 . . . B 441 ASP CA . 18808 1 1072 . 2 2 70 70 ASP CB C 13 40.113 0.118 . 1 . . . B 441 ASP CB . 18808 1 1073 . 2 2 70 70 ASP N N 15 119.861 0.158 . 1 . . . B 441 ASP N . 18808 1 1074 . 2 2 71 71 CYS H H 1 7.177 0.003 . 1 . . . B 442 CYS H . 18808 1 1075 . 2 2 71 71 CYS HG H 1 2.671 0.002 . 1 . . . B 442 CYS HG . 18808 1 1076 . 2 2 71 71 CYS CA C 13 59.841 0.055 . 1 . . . B 442 CYS CA . 18808 1 1077 . 2 2 71 71 CYS CB C 13 27.675 0.074 . 1 . . . B 442 CYS CB . 18808 1 1078 . 2 2 71 71 CYS N N 15 119.580 0.028 . 1 . . . B 442 CYS N . 18808 1 1079 . 2 2 72 72 GLN H H 1 8.513 0.004 . 1 . . . B 443 GLN H . 18808 1 1080 . 2 2 72 72 GLN CA C 13 59.031 0.273 . 1 . . . B 443 GLN CA . 18808 1 1081 . 2 2 72 72 GLN CB C 13 28.938 0.000 . 1 . . . B 443 GLN CB . 18808 1 1082 . 2 2 72 72 GLN N N 15 117.472 0.052 . 1 . . . B 443 GLN N . 18808 1 1083 . 2 2 73 73 LYS H H 1 7.545 0.002 . 1 . . . B 444 LYS H . 18808 1 1084 . 2 2 73 73 LYS CA C 13 59.332 0.087 . 1 . . . B 444 LYS CA . 18808 1 1085 . 2 2 73 73 LYS CB C 13 31.385 0.000 . 1 . . . B 444 LYS CB . 18808 1 1086 . 2 2 73 73 LYS N N 15 119.567 0.042 . 1 . . . B 444 LYS N . 18808 1 1087 . 2 2 74 74 ALA H H 1 7.688 0.003 . 1 . . . B 445 ALA H . 18808 1 1088 . 2 2 74 74 ALA CA C 13 54.413 0.013 . 1 . . . B 445 ALA CA . 18808 1 1089 . 2 2 74 74 ALA CB C 13 18.710 0.000 . 1 . . . B 445 ALA CB . 18808 1 1090 . 2 2 74 74 ALA N N 15 123.967 0.052 . 1 . . . B 445 ALA N . 18808 1 1091 . 2 2 75 75 MET H H 1 8.841 0.005 . 1 . . . B 446 MET H . 18808 1 1092 . 2 2 75 75 MET HA H 1 3.510 0.000 . 1 . . . B 446 MET HA . 18808 1 1093 . 2 2 75 75 MET HB2 H 1 1.825 0.000 . 1 . . . B 446 MET HB2 . 18808 1 1094 . 2 2 75 75 MET HB3 H 1 1.825 0.000 . 1 . . . B 446 MET HB3 . 18808 1 1095 . 2 2 75 75 MET HG2 H 1 2.156 0.000 . 1 . . . B 446 MET HG2 . 18808 1 1096 . 2 2 75 75 MET HG3 H 1 2.156 0.000 . 1 . . . B 446 MET HG3 . 18808 1 1097 . 2 2 75 75 MET HE1 H 1 1.112 0.004 . 1 . . . B 446 MET HE1 . 18808 1 1098 . 2 2 75 75 MET HE2 H 1 1.112 0.004 . 1 . . . B 446 MET HE2 . 18808 1 1099 . 2 2 75 75 MET HE3 H 1 1.112 0.004 . 1 . . . B 446 MET HE3 . 18808 1 1100 . 2 2 75 75 MET CA C 13 59.773 0.002 . 1 . . . B 446 MET CA . 18808 1 1101 . 2 2 75 75 MET CB C 13 31.495 0.000 . 1 . . . B 446 MET CB . 18808 1 1102 . 2 2 75 75 MET CE C 13 16.507 0.052 . 1 . . . B 446 MET CE . 18808 1 1103 . 2 2 75 75 MET N N 15 118.797 0.058 . 1 . . . B 446 MET N . 18808 1 1104 . 2 2 76 76 GLN H H 1 7.737 0.005 . 1 . . . B 447 GLN H . 18808 1 1105 . 2 2 76 76 GLN CA C 13 58.237 0.010 . 1 . . . B 447 GLN CA . 18808 1 1106 . 2 2 76 76 GLN CB C 13 27.969 0.000 . 1 . . . B 447 GLN CB . 18808 1 1107 . 2 2 76 76 GLN N N 15 116.608 0.015 . 1 . . . B 447 GLN N . 18808 1 1108 . 2 2 77 77 GLY H H 1 7.843 0.005 . 1 . . . B 448 GLY H . 18808 1 1109 . 2 2 77 77 GLY CA C 13 46.082 0.013 . 1 . . . B 448 GLY CA . 18808 1 1110 . 2 2 77 77 GLY N N 15 106.140 0.109 . 1 . . . B 448 GLY N . 18808 1 1111 . 2 2 78 78 LEU H H 1 8.105 0.004 . 1 . . . B 449 LEU H . 18808 1 1112 . 2 2 78 78 LEU HD11 H 1 0.497 0.008 . 1 . . . B 449 LEU HD11 . 18808 1 1113 . 2 2 78 78 LEU HD12 H 1 0.497 0.008 . 1 . . . B 449 LEU HD12 . 18808 1 1114 . 2 2 78 78 LEU HD13 H 1 0.497 0.008 . 1 . . . B 449 LEU HD13 . 18808 1 1115 . 2 2 78 78 LEU HD21 H 1 0.719 0.001 . 1 . . . B 449 LEU HD21 . 18808 1 1116 . 2 2 78 78 LEU HD22 H 1 0.719 0.001 . 1 . . . B 449 LEU HD22 . 18808 1 1117 . 2 2 78 78 LEU HD23 H 1 0.719 0.001 . 1 . . . B 449 LEU HD23 . 18808 1 1118 . 2 2 78 78 LEU CA C 13 55.880 0.028 . 1 . . . B 449 LEU CA . 18808 1 1119 . 2 2 78 78 LEU CD1 C 13 23.710 0.042 . 1 . . . B 449 LEU CD1 . 18808 1 1120 . 2 2 78 78 LEU CD2 C 13 27.075 0.051 . 1 . . . B 449 LEU CD2 . 18808 1 1121 . 2 2 78 78 LEU N N 15 117.829 0.032 . 1 . . . B 449 LEU N . 18808 1 1122 . 2 2 79 79 THR H H 1 7.277 0.006 . 1 . . . B 450 THR H . 18808 1 1123 . 2 2 79 79 THR HB H 1 4.091 0.001 . 1 . . . B 450 THR HB . 18808 1 1124 . 2 2 79 79 THR HG21 H 1 1.125 0.026 . 1 . . . B 450 THR HG21 . 18808 1 1125 . 2 2 79 79 THR HG22 H 1 1.125 0.026 . 1 . . . B 450 THR HG22 . 18808 1 1126 . 2 2 79 79 THR HG23 H 1 1.125 0.026 . 1 . . . B 450 THR HG23 . 18808 1 1127 . 2 2 79 79 THR CA C 13 65.564 0.093 . 1 . . . B 450 THR CA . 18808 1 1128 . 2 2 79 79 THR CB C 13 68.338 0.145 . 1 . . . B 450 THR CB . 18808 1 1129 . 2 2 79 79 THR CG2 C 13 20.575 0.066 . 1 . . . B 450 THR CG2 . 18808 1 1130 . 2 2 79 79 THR N N 15 114.230 0.035 . 1 . . . B 450 THR N . 18808 1 1131 . 2 2 80 80 GLY H H 1 8.901 0.002 . 1 . . . B 451 GLY H . 18808 1 1132 . 2 2 80 80 GLY HA2 H 1 3.982 0.009 . 1 . . . B 451 GLY HA2 . 18808 1 1133 . 2 2 80 80 GLY HA3 H 1 3.982 0.009 . 1 . . . B 451 GLY HA3 . 18808 1 1134 . 2 2 80 80 GLY CA C 13 45.869 0.471 . 1 . . . B 451 GLY CA . 18808 1 1135 . 2 2 80 80 GLY N N 15 115.740 0.029 . 1 . . . B 451 GLY N . 18808 1 1136 . 2 2 81 81 ARG H H 1 7.609 0.004 . 1 . . . B 452 ARG H . 18808 1 1137 . 2 2 81 81 ARG CA C 13 55.700 0.013 . 1 . . . B 452 ARG CA . 18808 1 1138 . 2 2 81 81 ARG N N 15 118.776 0.030 . 1 . . . B 452 ARG N . 18808 1 1139 . 2 2 82 82 LYS CA C 13 55.047 0.000 . 1 . . . B 453 LYS CA . 18808 1 1140 . 2 2 82 82 LYS CB C 13 35.369 0.000 . 1 . . . B 453 LYS CB . 18808 1 1141 . 2 2 83 83 PHE H H 1 9.053 0.009 . 1 . . . B 454 PHE H . 18808 1 1142 . 2 2 83 83 PHE CA C 13 56.196 0.092 . 1 . . . B 454 PHE CA . 18808 1 1143 . 2 2 83 83 PHE CB C 13 42.177 0.015 . 1 . . . B 454 PHE CB . 18808 1 1144 . 2 2 83 83 PHE N N 15 124.403 0.045 . 1 . . . B 454 PHE N . 18808 1 1145 . 2 2 84 84 ALA H H 1 9.076 0.005 . 1 . . . B 455 ALA H . 18808 1 1146 . 2 2 84 84 ALA HA H 1 3.720 0.000 . 1 . . . B 455 ALA HA . 18808 1 1147 . 2 2 84 84 ALA HB1 H 1 1.074 0.002 . 1 . . . B 455 ALA HB1 . 18808 1 1148 . 2 2 84 84 ALA HB2 H 1 1.074 0.002 . 1 . . . B 455 ALA HB2 . 18808 1 1149 . 2 2 84 84 ALA HB3 H 1 1.074 0.002 . 1 . . . B 455 ALA HB3 . 18808 1 1150 . 2 2 84 84 ALA CA C 13 52.882 0.044 . 1 . . . B 455 ALA CA . 18808 1 1151 . 2 2 84 84 ALA CB C 13 16.586 0.152 . 1 . . . B 455 ALA CB . 18808 1 1152 . 2 2 84 84 ALA N N 15 130.512 0.085 . 1 . . . B 455 ALA N . 18808 1 1153 . 2 2 85 85 ASN H H 1 8.745 0.003 . 1 . . . B 456 ASN H . 18808 1 1154 . 2 2 85 85 ASN CA C 13 54.932 0.071 . 1 . . . B 456 ASN CA . 18808 1 1155 . 2 2 85 85 ASN CB C 13 38.153 0.054 . 1 . . . B 456 ASN CB . 18808 1 1156 . 2 2 85 85 ASN N N 15 107.571 0.031 . 1 . . . B 456 ASN N . 18808 1 1157 . 2 2 86 86 ARG H H 1 8.199 0.003 . 1 . . . B 457 ARG H . 18808 1 1158 . 2 2 86 86 ARG CA C 13 55.469 0.029 . 1 . . . B 457 ARG CA . 18808 1 1159 . 2 2 86 86 ARG CB C 13 31.212 0.006 . 1 . . . B 457 ARG CB . 18808 1 1160 . 2 2 86 86 ARG N N 15 122.777 0.041 . 1 . . . B 457 ARG N . 18808 1 1161 . 2 2 87 87 VAL H H 1 8.517 0.005 . 1 . . . B 458 VAL H . 18808 1 1162 . 2 2 87 87 VAL HG11 H 1 0.856 0.001 . 1 . . . B 458 VAL HG11 . 18808 1 1163 . 2 2 87 87 VAL HG12 H 1 0.856 0.001 . 1 . . . B 458 VAL HG12 . 18808 1 1164 . 2 2 87 87 VAL HG13 H 1 0.856 0.001 . 1 . . . B 458 VAL HG13 . 18808 1 1165 . 2 2 87 87 VAL HG21 H 1 0.942 0.002 . 1 . . . B 458 VAL HG21 . 18808 1 1166 . 2 2 87 87 VAL HG22 H 1 0.942 0.002 . 1 . . . B 458 VAL HG22 . 18808 1 1167 . 2 2 87 87 VAL HG23 H 1 0.942 0.002 . 1 . . . B 458 VAL HG23 . 18808 1 1168 . 2 2 87 87 VAL CG1 C 13 20.990 0.000 . 1 . . . B 458 VAL CG1 . 18808 1 1169 . 2 2 87 87 VAL CG2 C 13 22.212 0.020 . 1 . . . B 458 VAL CG2 . 18808 1 1170 . 2 2 87 87 VAL N N 15 122.007 0.124 . 1 . . . B 458 VAL N . 18808 1 1171 . 2 2 88 88 VAL H H 1 8.482 0.003 . 1 . . . B 459 VAL H . 18808 1 1172 . 2 2 88 88 VAL HA H 1 3.738 0.006 . 1 . . . B 459 VAL HA . 18808 1 1173 . 2 2 88 88 VAL HG11 H 1 1.031 0.006 . 1 . . . B 459 VAL HG11 . 18808 1 1174 . 2 2 88 88 VAL HG12 H 1 1.031 0.006 . 1 . . . B 459 VAL HG12 . 18808 1 1175 . 2 2 88 88 VAL HG13 H 1 1.031 0.006 . 1 . . . B 459 VAL HG13 . 18808 1 1176 . 2 2 88 88 VAL HG21 H 1 0.882 0.006 . 1 . . . B 459 VAL HG21 . 18808 1 1177 . 2 2 88 88 VAL HG22 H 1 0.882 0.006 . 1 . . . B 459 VAL HG22 . 18808 1 1178 . 2 2 88 88 VAL HG23 H 1 0.882 0.006 . 1 . . . B 459 VAL HG23 . 18808 1 1179 . 2 2 88 88 VAL CA C 13 64.245 0.147 . 1 . . . B 459 VAL CA . 18808 1 1180 . 2 2 88 88 VAL CG1 C 13 22.345 0.054 . 1 . . . B 459 VAL CG1 . 18808 1 1181 . 2 2 88 88 VAL CG2 C 13 22.382 0.061 . 1 . . . B 459 VAL CG2 . 18808 1 1182 . 2 2 88 88 VAL N N 15 127.837 0.021 . 1 . . . B 459 VAL N . 18808 1 1183 . 2 2 89 89 VAL H H 1 7.767 0.002 . 1 . . . B 460 VAL H . 18808 1 1184 . 2 2 89 89 VAL HG11 H 1 0.866 0.000 . 1 . . . B 460 VAL HG11 . 18808 1 1185 . 2 2 89 89 VAL HG12 H 1 0.866 0.000 . 1 . . . B 460 VAL HG12 . 18808 1 1186 . 2 2 89 89 VAL HG13 H 1 0.866 0.000 . 1 . . . B 460 VAL HG13 . 18808 1 1187 . 2 2 89 89 VAL HG21 H 1 0.927 0.001 . 1 . . . B 460 VAL HG21 . 18808 1 1188 . 2 2 89 89 VAL HG22 H 1 0.927 0.001 . 1 . . . B 460 VAL HG22 . 18808 1 1189 . 2 2 89 89 VAL HG23 H 1 0.927 0.001 . 1 . . . B 460 VAL HG23 . 18808 1 1190 . 2 2 89 89 VAL CG1 C 13 20.990 0.000 . 1 . . . B 460 VAL CG1 . 18808 1 1191 . 2 2 89 89 VAL CG2 C 13 21.147 0.022 . 1 . . . B 460 VAL CG2 . 18808 1 1192 . 2 2 89 89 VAL N N 15 130.061 0.011 . 1 . . . B 460 VAL N . 18808 1 1193 . 2 2 90 90 THR HB H 1 3.824 0.000 . 1 . . . B 461 THR HB . 18808 1 1194 . 2 2 90 90 THR CB C 13 72.603 0.000 . 1 . . . B 461 THR CB . 18808 1 1195 . 2 2 91 91 LYS H H 1 8.198 0.004 . 1 . . . B 462 LYS H . 18808 1 1196 . 2 2 91 91 LYS CA C 13 55.391 0.345 . 1 . . . B 462 LYS CA . 18808 1 1197 . 2 2 91 91 LYS CB C 13 35.585 0.182 . 1 . . . B 462 LYS CB . 18808 1 1198 . 2 2 91 91 LYS N N 15 115.805 0.058 . 1 . . . B 462 LYS N . 18808 1 1199 . 2 2 92 92 TYR H H 1 8.488 0.004 . 1 . . . B 463 TYR H . 18808 1 1200 . 2 2 92 92 TYR HD1 H 1 7.091 0.000 . 1 . . . B 463 TYR HD1 . 18808 1 1201 . 2 2 92 92 TYR HD2 H 1 7.091 0.000 . 1 . . . B 463 TYR HD2 . 18808 1 1202 . 2 2 92 92 TYR HE1 H 1 6.812 0.000 . 1 . . . B 463 TYR HE1 . 18808 1 1203 . 2 2 92 92 TYR HE2 H 1 6.812 0.000 . 1 . . . B 463 TYR HE2 . 18808 1 1204 . 2 2 92 92 TYR CA C 13 59.083 0.074 . 1 . . . B 463 TYR CA . 18808 1 1205 . 2 2 92 92 TYR CB C 13 38.645 0.051 . 1 . . . B 463 TYR CB . 18808 1 1206 . 2 2 92 92 TYR N N 15 120.654 0.049 . 1 . . . B 463 TYR N . 18808 1 1207 . 2 2 93 93 CYS H H 1 8.722 0.004 . 1 . . . B 464 CYS H . 18808 1 1208 . 2 2 93 93 CYS CA C 13 56.883 0.052 . 1 . . . B 464 CYS CA . 18808 1 1209 . 2 2 93 93 CYS CB C 13 29.782 0.000 . 1 . . . B 464 CYS CB . 18808 1 1210 . 2 2 93 93 CYS N N 15 119.482 0.067 . 1 . . . B 464 CYS N . 18808 1 1211 . 2 2 94 94 ASP H H 1 8.987 0.007 . 1 . . . B 465 ASP H . 18808 1 1212 . 2 2 94 94 ASP CA C 13 52.749 0.000 . 1 . . . B 465 ASP CA . 18808 1 1213 . 2 2 94 94 ASP CB C 13 42.031 0.000 . 1 . . . B 465 ASP CB . 18808 1 1214 . 2 2 94 94 ASP N N 15 128.732 0.044 . 1 . . . B 465 ASP N . 18808 1 1215 . 2 2 95 95 PRO CA C 13 65.156 0.084 . 1 . . . B 466 PRO CA . 18808 1 1216 . 2 2 95 95 PRO CB C 13 31.564 0.000 . 1 . . . B 466 PRO CB . 18808 1 1217 . 2 2 96 96 ASP H H 1 8.213 0.002 . 1 . . . B 467 ASP H . 18808 1 1218 . 2 2 96 96 ASP CA C 13 57.845 0.011 . 1 . . . B 467 ASP CA . 18808 1 1219 . 2 2 96 96 ASP CB C 13 40.239 0.008 . 1 . . . B 467 ASP CB . 18808 1 1220 . 2 2 96 96 ASP N N 15 118.121 0.062 . 1 . . . B 467 ASP N . 18808 1 1221 . 2 2 97 97 SER H H 1 7.890 0.004 . 1 . . . B 468 SER H . 18808 1 1222 . 2 2 97 97 SER CA C 13 61.926 0.288 . 1 . . . B 468 SER CA . 18808 1 1223 . 2 2 97 97 SER N N 15 116.175 0.041 . 1 . . . B 468 SER N . 18808 1 1224 . 2 2 98 98 TYR H H 1 7.654 0.003 . 1 . . . B 469 TYR H . 18808 1 1225 . 2 2 98 98 TYR CA C 13 61.535 0.041 . 1 . . . B 469 TYR CA . 18808 1 1226 . 2 2 98 98 TYR CB C 13 37.847 0.370 . 1 . . . B 469 TYR CB . 18808 1 1227 . 2 2 98 98 TYR N N 15 121.850 0.012 . 1 . . . B 469 TYR N . 18808 1 1228 . 2 2 99 99 HIS H H 1 8.515 0.006 . 1 . . . B 470 HIS H . 18808 1 1229 . 2 2 99 99 HIS CA C 13 58.407 0.013 . 1 . . . B 470 HIS CA . 18808 1 1230 . 2 2 99 99 HIS CB C 13 28.343 0.064 . 1 . . . B 470 HIS CB . 18808 1 1231 . 2 2 99 99 HIS N N 15 118.275 0.023 . 1 . . . B 470 HIS N . 18808 1 1232 . 2 2 100 100 ARG H H 1 7.501 0.006 . 1 . . . B 471 ARG H . 18808 1 1233 . 2 2 100 100 ARG CA C 13 56.295 0.041 . 1 . . . B 471 ARG CA . 18808 1 1234 . 2 2 100 100 ARG CB C 13 29.987 0.000 . 1 . . . B 471 ARG CB . 18808 1 1235 . 2 2 100 100 ARG N N 15 116.635 0.018 . 1 . . . B 471 ARG N . 18808 1 1236 . 2 2 101 101 ARG H H 1 7.380 0.003 . 1 . . . B 472 ARG H . 18808 1 1237 . 2 2 101 101 ARG CA C 13 56.257 0.003 . 1 . . . B 472 ARG CA . 18808 1 1238 . 2 2 101 101 ARG CB C 13 25.334 0.000 . 1 . . . B 472 ARG CB . 18808 1 1239 . 2 2 101 101 ARG N N 15 115.238 0.050 . 1 . . . B 472 ARG N . 18808 1 1240 . 2 2 102 102 ASP H H 1 7.644 0.005 . 1 . . . B 473 ASP H . 18808 1 1241 . 2 2 102 102 ASP CA C 13 52.242 0.024 . 1 . . . B 473 ASP CA . 18808 1 1242 . 2 2 102 102 ASP CB C 13 39.788 0.000 . 1 . . . B 473 ASP CB . 18808 1 1243 . 2 2 102 102 ASP N N 15 119.812 0.025 . 1 . . . B 473 ASP N . 18808 1 1244 . 2 2 103 103 PHE H H 1 7.047 0.004 . 1 . . . B 474 PHE H . 18808 1 1245 . 2 2 103 103 PHE CA C 13 55.552 0.018 . 1 . . . B 474 PHE CA . 18808 1 1246 . 2 2 103 103 PHE CB C 13 38.910 0.005 . 1 . . . B 474 PHE CB . 18808 1 1247 . 2 2 103 103 PHE N N 15 119.629 0.030 . 1 . . . B 474 PHE N . 18808 1 1248 . 2 2 104 104 TRP H H 1 7.382 0.002 . 1 . . . B 475 TRP H . 18808 1 1249 . 2 2 104 104 TRP HE1 H 1 10.100 0.000 . 1 . . . B 475 TRP HE1 . 18808 1 1250 . 2 2 104 104 TRP CA C 13 59.266 0.032 . 1 . . . B 475 TRP CA . 18808 1 1251 . 2 2 104 104 TRP CB C 13 29.794 0.000 . 1 . . . B 475 TRP CB . 18808 1 1252 . 2 2 104 104 TRP N N 15 124.169 0.031 . 1 . . . B 475 TRP N . 18808 1 1253 . 2 2 104 104 TRP NE1 N 15 129.024 0.000 . 1 . . . B 475 TRP NE1 . 18808 1 stop_ save_