data_25002 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25002 _Entry.Title ; Solution structure of the LysM region of the E. coli Intimin periplasmic domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-05 _Entry.Accession_date 2014-06-05 _Entry.Last_release_date 2014-11-10 _Entry.Original_release_date 2014-11-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Murray Coles . . . 25002 2 Manish Chaubey . . . 25002 3 Jack Leo . C. . 25002 4 Dirk Linke . . . 25002 5 Monika Schuetz . C. . 25002 6 Friedrich Goetz . . . 25002 7 Ingo Autenrieth . B. . 25002 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' . 25002 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID LysM . 25002 peptidoglycan-binding . 25002 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25002 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 550 25002 '13C chemical shifts' 315 25002 '15N chemical shifts' 82 25002 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-11-10 2014-06-05 original author . 25002 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2mpw 'BMRB Entry Tracking System' 25002 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25002 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25353290 _Citation.Full_citation . _Citation.Title 'The intimin periplasmic domain mediates dimerisation and binding to peptidoglycan' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Microbiol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2014 _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 Jack Leo . C. . 25002 1 2 Philipp Oberhettinger . . . 25002 1 3 Manish Chaubey . . . 25002 1 4 Monika Schuetz . . . 25002 1 5 Daniel Kuehner . . . 25002 1 6 Friedrich Goetz . . . 25002 1 7 Murray Coles . . . 25002 1 8 Ingo Autenrieth . B. . 25002 1 9 Dirk Linke . . . 25002 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25002 _Assembly.ID 1 _Assembly.Name 'LysM region of the E. coli Intimin periplasmic domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 LysM 1 $LysM A . yes native no no . . . 25002 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LysM _Entity.Sf_category entity _Entity.Sf_framecode LysM _Entity.Entry_ID 25002 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LysM _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 ; MNGENYFKLGSDSKLLTHNS YQNRLFYTLKTGETVADLSK SQDINLSTIWSLNKHLYSSE SEMMKAAPGQQIILPLKKLP FEYSALPLLGSAPLVAAGGV AGHTNGSGSENLYFQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'A39 is mutated to M for cloning purposes' _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 39-153 _Entity.Mutation A39M _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12568.278 _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 yes GB BAL46976 . Intimin . . . . . . . . . . . . . . 25002 1 2 no PDB 2MPW . "Solution Structure Of The Lysm Region Of The E. Coli Intimin Periplasmic Domain" . . . . . 100.00 115 100.00 100.00 2.04e-76 . . . . 25002 1 3 no DBJ BAB37982 . "Gamma intimin [Escherichia coli O157:H7 str. Sakai]" . . . . . 90.43 934 99.04 100.00 7.12e-62 . . . . 25002 1 4 no DBJ BAD20939 . "intimin [Escherichia coli O157:H45]" . . . . . 90.43 144 100.00 100.00 3.29e-68 . . . . 25002 1 5 no DBJ BAD20940 . "intimin [Escherichia coli O55:H51]" . . . . . 90.43 144 100.00 100.00 2.47e-68 . . . . 25002 1 6 no DBJ BAD20941 . "intimin, partial [Escherichia coli OUT:H45]" . . . . . 90.43 144 100.00 100.00 2.47e-68 . . . . 25002 1 7 no DBJ BAD20942 . "intimin, partial [Escherichia coli]" . . . . . 90.43 144 100.00 100.00 2.47e-68 . . . . 25002 1 8 no EMBL CAA42967 . "ECOEHECAE [Escherichia coli]" . . . . . 90.43 935 99.04 100.00 6.55e-62 . . . . 25002 1 9 no EMBL CAA77642 . "EHEC attaching and effacing (Eae) protein [Escherichia coli]" . . . . . 90.43 934 99.04 100.00 6.85e-62 . . . . 25002 1 10 no EMBL CAC21552 . "intimin zeta [Escherichia coli]" . . . . . 89.57 938 99.03 99.03 4.01e-61 . . . . 25002 1 11 no EMBL CAC24714 . "intimin zeta [Escherichia coli]" . . . . . 89.57 938 99.03 99.03 4.01e-61 . . . . 25002 1 12 no EMBL CAC59747 . "intimin-jota [Escherichia coli]" . . . . . 90.43 937 100.00 100.00 1.89e-62 . . . . 25002 1 13 no GB AAA62775 . "eae [Escherichia coli]" . . . . . 90.43 939 99.04 99.04 1.16e-61 . . . . 25002 1 14 no GB AAB52913 . "intimin [Escherichia coli]" . . . . . 90.43 940 99.04 99.04 1.08e-61 . . . . 25002 1 15 no GB AAC31504 . "L0025 [Escherichia coli O157:H7 str. EDL933]" . . . . . 90.43 934 99.04 100.00 7.12e-62 . . . . 25002 1 16 no GB AAC38392 . "intimin [Escherichia coli]" . . . . . 90.43 939 99.04 99.04 1.16e-61 . . . . 25002 1 17 no GB AAD05498 . "gamma intimin [Escherichia coli]" . . . . . 90.43 934 99.04 100.00 7.12e-62 . . . . 25002 1 18 no PRF 1905283A . "eae gene" . . . . . 90.43 935 99.04 100.00 6.55e-62 . . . . 25002 1 19 no REF NP_312586 . "gamma intimin [Escherichia coli O157:H7 str. Sakai]" . . . . . 90.43 934 99.04 100.00 7.12e-62 . . . . 25002 1 20 no REF WP_000430959 . "hypothetical protein, partial [Escherichia coli]" . . . . . 89.57 894 99.03 100.00 3.16e-61 . . . . 25002 1 21 no REF WP_000627883 . "hypothetical protein [Escherichia coli]" . . . . . 90.43 934 99.04 100.00 7.64e-62 . . . . 25002 1 22 no REF WP_000627884 . "hypothetical protein [Escherichia coli]" . . . . . 90.43 934 99.04 100.00 7.20e-62 . . . . 25002 1 23 no REF WP_000627885 . "intimin [Escherichia coli]" . . . . . 90.43 934 99.04 100.00 7.12e-62 . . . . 25002 1 24 no SP P19809 . "RecName: Full=Intimin; AltName: Full=Attaching and effacing protein; Short=Eae protein" . . . . . 90.43 939 100.00 100.00 2.20e-62 . . . . 25002 1 25 no SP P43261 . "RecName: Full=Intimin; AltName: Full=Attaching and effacing protein; Short=Eae protein; AltName: Full=Gamma-intimin" . . . . . 90.43 934 99.04 100.00 7.12e-62 . . . . 25002 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 39 MET . 25002 1 2 40 ASN . 25002 1 3 41 GLY . 25002 1 4 42 GLU . 25002 1 5 43 ASN . 25002 1 6 44 TYR . 25002 1 7 45 PHE . 25002 1 8 46 LYS . 25002 1 9 47 LEU . 25002 1 10 48 GLY . 25002 1 11 49 SER . 25002 1 12 50 ASP . 25002 1 13 51 SER . 25002 1 14 52 LYS . 25002 1 15 53 LEU . 25002 1 16 54 LEU . 25002 1 17 55 THR . 25002 1 18 56 HIS . 25002 1 19 57 ASN . 25002 1 20 58 SER . 25002 1 21 59 TYR . 25002 1 22 60 GLN . 25002 1 23 61 ASN . 25002 1 24 62 ARG . 25002 1 25 63 LEU . 25002 1 26 64 PHE . 25002 1 27 65 TYR . 25002 1 28 66 THR . 25002 1 29 67 LEU . 25002 1 30 68 LYS . 25002 1 31 69 THR . 25002 1 32 70 GLY . 25002 1 33 71 GLU . 25002 1 34 72 THR . 25002 1 35 73 VAL . 25002 1 36 74 ALA . 25002 1 37 75 ASP . 25002 1 38 76 LEU . 25002 1 39 77 SER . 25002 1 40 78 LYS . 25002 1 41 79 SER . 25002 1 42 80 GLN . 25002 1 43 81 ASP . 25002 1 44 82 ILE . 25002 1 45 83 ASN . 25002 1 46 84 LEU . 25002 1 47 85 SER . 25002 1 48 86 THR . 25002 1 49 87 ILE . 25002 1 50 88 TRP . 25002 1 51 89 SER . 25002 1 52 90 LEU . 25002 1 53 91 ASN . 25002 1 54 92 LYS . 25002 1 55 93 HIS . 25002 1 56 94 LEU . 25002 1 57 95 TYR . 25002 1 58 96 SER . 25002 1 59 97 SER . 25002 1 60 98 GLU . 25002 1 61 99 SER . 25002 1 62 100 GLU . 25002 1 63 101 MET . 25002 1 64 102 MET . 25002 1 65 103 LYS . 25002 1 66 104 ALA . 25002 1 67 105 ALA . 25002 1 68 106 PRO . 25002 1 69 107 GLY . 25002 1 70 108 GLN . 25002 1 71 109 GLN . 25002 1 72 110 ILE . 25002 1 73 111 ILE . 25002 1 74 112 LEU . 25002 1 75 113 PRO . 25002 1 76 114 LEU . 25002 1 77 115 LYS . 25002 1 78 116 LYS . 25002 1 79 117 LEU . 25002 1 80 118 PRO . 25002 1 81 119 PHE . 25002 1 82 120 GLU . 25002 1 83 121 TYR . 25002 1 84 122 SER . 25002 1 85 123 ALA . 25002 1 86 124 LEU . 25002 1 87 125 PRO . 25002 1 88 126 LEU . 25002 1 89 127 LEU . 25002 1 90 128 GLY . 25002 1 91 129 SER . 25002 1 92 130 ALA . 25002 1 93 131 PRO . 25002 1 94 132 LEU . 25002 1 95 133 VAL . 25002 1 96 134 ALA . 25002 1 97 135 ALA . 25002 1 98 136 GLY . 25002 1 99 137 GLY . 25002 1 100 138 VAL . 25002 1 101 139 ALA . 25002 1 102 140 GLY . 25002 1 103 141 HIS . 25002 1 104 142 THR . 25002 1 105 143 ASN . 25002 1 106 144 GLY . 25002 1 107 145 SER . 25002 1 108 146 GLY . 25002 1 109 147 SER . 25002 1 110 148 GLU . 25002 1 111 149 ASN . 25002 1 112 150 LEU . 25002 1 113 151 TYR . 25002 1 114 152 PHE . 25002 1 115 153 GLN . 25002 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 25002 1 . ASN 2 2 25002 1 . GLY 3 3 25002 1 . GLU 4 4 25002 1 . ASN 5 5 25002 1 . TYR 6 6 25002 1 . PHE 7 7 25002 1 . LYS 8 8 25002 1 . LEU 9 9 25002 1 . GLY 10 10 25002 1 . SER 11 11 25002 1 . ASP 12 12 25002 1 . SER 13 13 25002 1 . LYS 14 14 25002 1 . LEU 15 15 25002 1 . LEU 16 16 25002 1 . THR 17 17 25002 1 . HIS 18 18 25002 1 . ASN 19 19 25002 1 . SER 20 20 25002 1 . TYR 21 21 25002 1 . GLN 22 22 25002 1 . ASN 23 23 25002 1 . ARG 24 24 25002 1 . LEU 25 25 25002 1 . PHE 26 26 25002 1 . TYR 27 27 25002 1 . THR 28 28 25002 1 . LEU 29 29 25002 1 . LYS 30 30 25002 1 . THR 31 31 25002 1 . GLY 32 32 25002 1 . GLU 33 33 25002 1 . THR 34 34 25002 1 . VAL 35 35 25002 1 . ALA 36 36 25002 1 . ASP 37 37 25002 1 . LEU 38 38 25002 1 . SER 39 39 25002 1 . LYS 40 40 25002 1 . SER 41 41 25002 1 . GLN 42 42 25002 1 . ASP 43 43 25002 1 . ILE 44 44 25002 1 . ASN 45 45 25002 1 . LEU 46 46 25002 1 . SER 47 47 25002 1 . THR 48 48 25002 1 . ILE 49 49 25002 1 . TRP 50 50 25002 1 . SER 51 51 25002 1 . LEU 52 52 25002 1 . ASN 53 53 25002 1 . LYS 54 54 25002 1 . HIS 55 55 25002 1 . LEU 56 56 25002 1 . TYR 57 57 25002 1 . SER 58 58 25002 1 . SER 59 59 25002 1 . GLU 60 60 25002 1 . SER 61 61 25002 1 . GLU 62 62 25002 1 . MET 63 63 25002 1 . MET 64 64 25002 1 . LYS 65 65 25002 1 . ALA 66 66 25002 1 . ALA 67 67 25002 1 . PRO 68 68 25002 1 . GLY 69 69 25002 1 . GLN 70 70 25002 1 . GLN 71 71 25002 1 . ILE 72 72 25002 1 . ILE 73 73 25002 1 . LEU 74 74 25002 1 . PRO 75 75 25002 1 . LEU 76 76 25002 1 . LYS 77 77 25002 1 . LYS 78 78 25002 1 . LEU 79 79 25002 1 . PRO 80 80 25002 1 . PHE 81 81 25002 1 . GLU 82 82 25002 1 . TYR 83 83 25002 1 . SER 84 84 25002 1 . ALA 85 85 25002 1 . LEU 86 86 25002 1 . PRO 87 87 25002 1 . LEU 88 88 25002 1 . LEU 89 89 25002 1 . GLY 90 90 25002 1 . SER 91 91 25002 1 . ALA 92 92 25002 1 . PRO 93 93 25002 1 . LEU 94 94 25002 1 . VAL 95 95 25002 1 . ALA 96 96 25002 1 . ALA 97 97 25002 1 . GLY 98 98 25002 1 . GLY 99 99 25002 1 . VAL 100 100 25002 1 . ALA 101 101 25002 1 . GLY 102 102 25002 1 . HIS 103 103 25002 1 . THR 104 104 25002 1 . ASN 105 105 25002 1 . GLY 106 106 25002 1 . SER 107 107 25002 1 . GLY 108 108 25002 1 . SER 109 109 25002 1 . GLU 110 110 25002 1 . ASN 111 111 25002 1 . LEU 112 112 25002 1 . TYR 113 113 25002 1 . PHE 114 114 25002 1 . GLN 115 115 25002 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25002 _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 $LysM . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 25002 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 25002 _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 $LysM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pASK-IBA . . . . . . 25002 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25002 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LysM '[U-100% 15N]' . . 1 $LysM . . 0.5 . . mM . . . . 25002 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25002 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25002 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25002 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25002 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25002 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LysM '[U-100% 13C; U-100% 15N]' . . 1 $LysM . . 0.5 . . mM . . . . 25002 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25002 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25002 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25002 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25002 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25002 _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 temperature 298 . K 25002 1 pH 7.4 . pH 25002 1 pressure 1 . atm 25002 1 'ionic strength' 250 . mM 25002 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25002 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25002 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25002 1 processing 25002 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25002 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25002 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25002 2 'data analysis' 25002 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25002 _Software.ID 3 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25002 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25002 3 refinement 25002 3 stop_ save_ save_NMR-SPIRIT _Software.Sf_category software _Software.Sf_framecode NMR-SPIRIT _Software.Entry_ID 25002 _Software.ID 4 _Software.Name NMR-SPIRIT _Software.Version 1.1 _Software.Details 'NOESY back-calculation suite' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'In house' . . 25002 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25002 4 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 25002 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25002 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25002 _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 . 600 . . . 25002 1 2 spectrometer_2 Bruker Avance . 800 . . . 25002 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 25002 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25002 1 2 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25002 1 3 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25002 1 4 '3D HNCANNH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25002 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25002 1 6 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25002 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25002 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25002 1 9 '3D CNH-NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25002 1 10 '3D NNH-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25002 1 11 '3D CCH-NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25002 1 12 '2D 12C-filtered 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25002 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 25002 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25002 1 C 13 DSS 'methyl protons' . . . . ppm 2.6 . indirect 0.251449530 . . . . . . . . . 25002 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 25002 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 25002 _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 '3D HNCO' 2 $sample_2 . 25002 1 2 '3D HNCA' 2 $sample_2 . 25002 1 3 '3D C(CO)NH' 2 $sample_2 . 25002 1 4 '3D HNCANNH' 2 $sample_2 . 25002 1 5 '3D HCCH-TOCSY' 2 $sample_2 . 25002 1 6 '3D H(CCO)NH' 2 $sample_2 . 25002 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 25002 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 23 23 ASN HA H 1 4.67 0.02 . 1 . . . A 61 ASN HA . 25002 1 2 . 1 1 23 23 ASN HB2 H 1 2.74 0.02 . 1 . . . A 61 ASN HB2 . 25002 1 3 . 1 1 23 23 ASN HB3 H 1 2.74 0.02 . 1 . . . A 61 ASN HB3 . 25002 1 4 . 1 1 23 23 ASN C C 13 174.43 0.05 . 1 . . . A 61 ASN C . 25002 1 5 . 1 1 23 23 ASN CA C 13 53.16 0.05 . 1 . . . A 61 ASN CA . 25002 1 6 . 1 1 23 23 ASN CB C 13 38.57 0.05 . 1 . . . A 61 ASN CB . 25002 1 7 . 1 1 24 24 ARG H H 1 7.92 0.02 . 1 . . . A 62 ARG H . 25002 1 8 . 1 1 24 24 ARG HA H 1 4.71 0.02 . 1 . . . A 62 ARG HA . 25002 1 9 . 1 1 24 24 ARG HB2 H 1 1.51 0.02 . 1 . . . A 62 ARG HB2 . 25002 1 10 . 1 1 24 24 ARG HB3 H 1 1.51 0.02 . 1 . . . A 62 ARG HB3 . 25002 1 11 . 1 1 24 24 ARG HG2 H 1 1.41 0.02 . 1 . . . A 62 ARG HG2 . 25002 1 12 . 1 1 24 24 ARG HG3 H 1 1.41 0.02 . 1 . . . A 62 ARG HG3 . 25002 1 13 . 1 1 24 24 ARG HD2 H 1 2.96 0.02 . 1 . . . A 62 ARG HD2 . 25002 1 14 . 1 1 24 24 ARG HD3 H 1 2.96 0.02 . 1 . . . A 62 ARG HD3 . 25002 1 15 . 1 1 24 24 ARG C C 13 173.61 0.05 . 1 . . . A 62 ARG C . 25002 1 16 . 1 1 24 24 ARG CA C 13 54.79 0.05 . 1 . . . A 62 ARG CA . 25002 1 17 . 1 1 24 24 ARG CB C 13 32.93 0.05 . 1 . . . A 62 ARG CB . 25002 1 18 . 1 1 24 24 ARG CG C 13 26.52 0.05 . 1 . . . A 62 ARG CG . 25002 1 19 . 1 1 24 24 ARG CD C 13 43.35 0.05 . 1 . . . A 62 ARG CD . 25002 1 20 . 1 1 24 24 ARG N N 15 119.53 0.05 . 1 . . . A 62 ARG N . 25002 1 21 . 1 1 25 25 LEU H H 1 8.79 0.02 . 1 . . . A 63 LEU H . 25002 1 22 . 1 1 25 25 LEU HA H 1 4.55 0.02 . 1 . . . A 63 LEU HA . 25002 1 23 . 1 1 25 25 LEU HB2 H 1 1.59 0.02 . 2 . . . A 63 LEU HB2 . 25002 1 24 . 1 1 25 25 LEU HB3 H 1 1.42 0.02 . 2 . . . A 63 LEU HB3 . 25002 1 25 . 1 1 25 25 LEU HG H 1 1.44 0.02 . 1 . . . A 63 LEU HG . 25002 1 26 . 1 1 25 25 LEU HD11 H 1 0.90 0.02 . 2 . . . A 63 LEU HD11 . 25002 1 27 . 1 1 25 25 LEU HD12 H 1 0.90 0.02 . 2 . . . A 63 LEU HD12 . 25002 1 28 . 1 1 25 25 LEU HD13 H 1 0.90 0.02 . 2 . . . A 63 LEU HD13 . 25002 1 29 . 1 1 25 25 LEU HD21 H 1 0.82 0.02 . 2 . . . A 63 LEU HD21 . 25002 1 30 . 1 1 25 25 LEU HD22 H 1 0.82 0.02 . 2 . . . A 63 LEU HD22 . 25002 1 31 . 1 1 25 25 LEU HD23 H 1 0.82 0.02 . 2 . . . A 63 LEU HD23 . 25002 1 32 . 1 1 25 25 LEU C C 13 174.75 0.05 . 1 . . . A 63 LEU C . 25002 1 33 . 1 1 25 25 LEU CA C 13 53.69 0.05 . 1 . . . A 63 LEU CA . 25002 1 34 . 1 1 25 25 LEU CB C 13 44.52 0.05 . 1 . . . A 63 LEU CB . 25002 1 35 . 1 1 25 25 LEU CG C 13 27.21 0.05 . 1 . . . A 63 LEU CG . 25002 1 36 . 1 1 25 25 LEU CD1 C 13 24.47 0.05 . 2 . . . A 63 LEU CD1 . 25002 1 37 . 1 1 25 25 LEU CD2 C 13 25.54 0.05 . 2 . . . A 63 LEU CD2 . 25002 1 38 . 1 1 25 25 LEU N N 15 122.62 0.05 . 1 . . . A 63 LEU N . 25002 1 39 . 1 1 26 26 PHE H H 1 8.62 0.02 . 1 . . . A 64 PHE H . 25002 1 40 . 1 1 26 26 PHE HA H 1 4.57 0.02 . 1 . . . A 64 PHE HA . 25002 1 41 . 1 1 26 26 PHE HB2 H 1 2.95 0.02 . 2 . . . A 64 PHE HB2 . 25002 1 42 . 1 1 26 26 PHE HB3 H 1 2.75 0.02 . 2 . . . A 64 PHE HB3 . 25002 1 43 . 1 1 26 26 PHE HD1 H 1 7.07 0.02 . 1 . . . A 64 PHE HD1 . 25002 1 44 . 1 1 26 26 PHE HD2 H 1 7.07 0.02 . 1 . . . A 64 PHE HD2 . 25002 1 45 . 1 1 26 26 PHE C C 13 174.06 0.05 . 1 . . . A 64 PHE C . 25002 1 46 . 1 1 26 26 PHE CA C 13 57.33 0.05 . 1 . . . A 64 PHE CA . 25002 1 47 . 1 1 26 26 PHE CB C 13 38.77 0.05 . 1 . . . A 64 PHE CB . 25002 1 48 . 1 1 26 26 PHE N N 15 123.36 0.05 . 1 . . . A 64 PHE N . 25002 1 49 . 1 1 27 27 TYR H H 1 9.16 0.02 . 1 . . . A 65 TYR H . 25002 1 50 . 1 1 27 27 TYR HA H 1 4.50 0.02 . 1 . . . A 65 TYR HA . 25002 1 51 . 1 1 27 27 TYR HB2 H 1 3.02 0.02 . 2 . . . A 65 TYR HB2 . 25002 1 52 . 1 1 27 27 TYR HB3 H 1 2.59 0.02 . 2 . . . A 65 TYR HB3 . 25002 1 53 . 1 1 27 27 TYR HD1 H 1 6.74 0.02 . 1 . . . A 65 TYR HD1 . 25002 1 54 . 1 1 27 27 TYR HD2 H 1 6.74 0.02 . 1 . . . A 65 TYR HD2 . 25002 1 55 . 1 1 27 27 TYR HE1 H 1 6.58 0.02 . 1 . . . A 65 TYR HE1 . 25002 1 56 . 1 1 27 27 TYR HE2 H 1 6.58 0.02 . 1 . . . A 65 TYR HE2 . 25002 1 57 . 1 1 27 27 TYR CA C 13 57.79 0.05 . 1 . . . A 65 TYR CA . 25002 1 58 . 1 1 27 27 TYR CB C 13 41.62 0.05 . 1 . . . A 65 TYR CB . 25002 1 59 . 1 1 27 27 TYR N N 15 128.80 0.05 . 1 . . . A 65 TYR N . 25002 1 60 . 1 1 28 28 THR H H 1 7.53 0.02 . 1 . . . A 66 THR H . 25002 1 61 . 1 1 28 28 THR HA H 1 4.33 0.02 . 1 . . . A 66 THR HA . 25002 1 62 . 1 1 28 28 THR HB H 1 3.59 0.02 . 1 . . . A 66 THR HB . 25002 1 63 . 1 1 28 28 THR HG21 H 1 0.90 0.02 . 1 . . . A 66 THR HG21 . 25002 1 64 . 1 1 28 28 THR HG22 H 1 0.90 0.02 . 1 . . . A 66 THR HG22 . 25002 1 65 . 1 1 28 28 THR HG23 H 1 0.90 0.02 . 1 . . . A 66 THR HG23 . 25002 1 66 . 1 1 28 28 THR C C 13 172.76 0.05 . 1 . . . A 66 THR C . 25002 1 67 . 1 1 28 28 THR CA C 13 61.68 0.05 . 1 . . . A 66 THR CA . 25002 1 68 . 1 1 28 28 THR CB C 13 69.05 0.05 . 1 . . . A 66 THR CB . 25002 1 69 . 1 1 28 28 THR CG2 C 13 21.18 0.05 . 1 . . . A 66 THR CG2 . 25002 1 70 . 1 1 28 28 THR N N 15 124.42 0.05 . 1 . . . A 66 THR N . 25002 1 71 . 1 1 29 29 LEU H H 1 8.19 0.02 . 1 . . . A 67 LEU H . 25002 1 72 . 1 1 29 29 LEU HA H 1 4.22 0.02 . 1 . . . A 67 LEU HA . 25002 1 73 . 1 1 29 29 LEU HB2 H 1 1.75 0.02 . 1 . . . A 67 LEU HB2 . 25002 1 74 . 1 1 29 29 LEU HB3 H 1 1.39 0.02 . 1 . . . A 67 LEU HB3 . 25002 1 75 . 1 1 29 29 LEU HG H 1 1.58 0.02 . 1 . . . A 67 LEU HG . 25002 1 76 . 1 1 29 29 LEU HD11 H 1 0.69 0.02 . 1 . . . A 67 LEU HD11 . 25002 1 77 . 1 1 29 29 LEU HD12 H 1 0.69 0.02 . 1 . . . A 67 LEU HD12 . 25002 1 78 . 1 1 29 29 LEU HD13 H 1 0.69 0.02 . 1 . . . A 67 LEU HD13 . 25002 1 79 . 1 1 29 29 LEU HD21 H 1 0.71 0.02 . 1 . . . A 67 LEU HD21 . 25002 1 80 . 1 1 29 29 LEU HD22 H 1 0.71 0.02 . 1 . . . A 67 LEU HD22 . 25002 1 81 . 1 1 29 29 LEU HD23 H 1 0.71 0.02 . 1 . . . A 67 LEU HD23 . 25002 1 82 . 1 1 29 29 LEU C C 13 174.35 0.05 . 1 . . . A 67 LEU C . 25002 1 83 . 1 1 29 29 LEU CA C 13 56.52 0.05 . 1 . . . A 67 LEU CA . 25002 1 84 . 1 1 29 29 LEU CB C 13 41.92 0.05 . 1 . . . A 67 LEU CB . 25002 1 85 . 1 1 29 29 LEU CG C 13 28.40 0.05 . 1 . . . A 67 LEU CG . 25002 1 86 . 1 1 29 29 LEU CD1 C 13 26.16 0.05 . 1 . . . A 67 LEU CD1 . 25002 1 87 . 1 1 29 29 LEU CD2 C 13 24.25 0.05 . 1 . . . A 67 LEU CD2 . 25002 1 88 . 1 1 29 29 LEU N N 15 126.44 0.05 . 1 . . . A 67 LEU N . 25002 1 89 . 1 1 30 30 LYS HA H 1 4.43 0.02 . 1 . . . A 68 LYS HA . 25002 1 90 . 1 1 30 30 LYS HB2 H 1 1.93 0.02 . 2 . . . A 68 LYS HB2 . 25002 1 91 . 1 1 30 30 LYS HB3 H 1 1.63 0.02 . 2 . . . A 68 LYS HB3 . 25002 1 92 . 1 1 30 30 LYS HG2 H 1 1.34 0.02 . 1 . . . A 68 LYS HG2 . 25002 1 93 . 1 1 30 30 LYS HG3 H 1 1.34 0.02 . 1 . . . A 68 LYS HG3 . 25002 1 94 . 1 1 30 30 LYS HD2 H 1 1.62 0.02 . 1 . . . A 68 LYS HD2 . 25002 1 95 . 1 1 30 30 LYS HD3 H 1 1.62 0.02 . 1 . . . A 68 LYS HD3 . 25002 1 96 . 1 1 30 30 LYS HE2 H 1 3.02 0.02 . 1 . . . A 68 LYS HE2 . 25002 1 97 . 1 1 30 30 LYS HE3 H 1 3.02 0.02 . 1 . . . A 68 LYS HE3 . 25002 1 98 . 1 1 30 30 LYS C C 13 175.69 0.05 . 1 . . . A 68 LYS C . 25002 1 99 . 1 1 30 30 LYS CA C 13 54.43 0.05 . 1 . . . A 68 LYS CA . 25002 1 100 . 1 1 30 30 LYS CB C 13 33.79 0.05 . 1 . . . A 68 LYS CB . 25002 1 101 . 1 1 30 30 LYS CG C 13 24.74 0.05 . 1 . . . A 68 LYS CG . 25002 1 102 . 1 1 30 30 LYS CD C 13 28.71 0.05 . 1 . . . A 68 LYS CD . 25002 1 103 . 1 1 30 30 LYS CE C 13 41.91 0.05 . 1 . . . A 68 LYS CE . 25002 1 104 . 1 1 31 31 THR H H 1 8.10 0.02 . 1 . . . A 69 THR H . 25002 1 105 . 1 1 31 31 THR HA H 1 3.72 0.02 . 1 . . . A 69 THR HA . 25002 1 106 . 1 1 31 31 THR HB H 1 3.93 0.02 . 1 . . . A 69 THR HB . 25002 1 107 . 1 1 31 31 THR HG21 H 1 1.20 0.02 . 1 . . . A 69 THR HG21 . 25002 1 108 . 1 1 31 31 THR HG22 H 1 1.20 0.02 . 1 . . . A 69 THR HG22 . 25002 1 109 . 1 1 31 31 THR HG23 H 1 1.20 0.02 . 1 . . . A 69 THR HG23 . 25002 1 110 . 1 1 31 31 THR C C 13 179.46 0.05 . 1 . . . A 69 THR C . 25002 1 111 . 1 1 31 31 THR CA C 13 65.06 0.05 . 1 . . . A 69 THR CA . 25002 1 112 . 1 1 31 31 THR CB C 13 68.67 0.05 . 1 . . . A 69 THR CB . 25002 1 113 . 1 1 31 31 THR CG2 C 13 21.54 0.05 . 1 . . . A 69 THR CG2 . 25002 1 114 . 1 1 31 31 THR N N 15 114.30 0.05 . 1 . . . A 69 THR N . 25002 1 115 . 1 1 32 32 GLY H H 1 8.60 0.02 . 1 . . . A 70 GLY H . 25002 1 116 . 1 1 32 32 GLY HA2 H 1 4.14 0.02 . 2 . . . A 70 GLY HA2 . 25002 1 117 . 1 1 32 32 GLY HA3 H 1 3.66 0.02 . 2 . . . A 70 GLY HA3 . 25002 1 118 . 1 1 32 32 GLY C C 13 173.11 0.05 . 1 . . . A 70 GLY C . 25002 1 119 . 1 1 32 32 GLY CA C 13 45.33 0.05 . 1 . . . A 70 GLY CA . 25002 1 120 . 1 1 32 32 GLY N N 15 114.72 0.05 . 1 . . . A 70 GLY N . 25002 1 121 . 1 1 33 33 GLU H H 1 8.07 0.02 . 1 . . . A 71 GLU H . 25002 1 122 . 1 1 33 33 GLU HA H 1 4.72 0.02 . 1 . . . A 71 GLU HA . 25002 1 123 . 1 1 33 33 GLU HB2 H 1 2.06 0.02 . 1 . . . A 71 GLU HB2 . 25002 1 124 . 1 1 33 33 GLU HB3 H 1 2.06 0.02 . 1 . . . A 71 GLU HB3 . 25002 1 125 . 1 1 33 33 GLU HG2 H 1 2.22 0.02 . 2 . . . A 71 GLU HG2 . 25002 1 126 . 1 1 33 33 GLU HG3 H 1 2.13 0.02 . 2 . . . A 71 GLU HG3 . 25002 1 127 . 1 1 33 33 GLU C C 13 175.10 0.05 . 1 . . . A 71 GLU C . 25002 1 128 . 1 1 33 33 GLU CA C 13 55.55 0.05 . 1 . . . A 71 GLU CA . 25002 1 129 . 1 1 33 33 GLU CB C 13 32.42 0.05 . 1 . . . A 71 GLU CB . 25002 1 130 . 1 1 33 33 GLU CG C 13 36.79 0.05 . 1 . . . A 71 GLU CG . 25002 1 131 . 1 1 33 33 GLU N N 15 120.89 0.05 . 1 . . . A 71 GLU N . 25002 1 132 . 1 1 34 34 THR H H 1 7.87 0.02 . 1 . . . A 72 THR H . 25002 1 133 . 1 1 34 34 THR HA H 1 4.79 0.02 . 1 . . . A 72 THR HA . 25002 1 134 . 1 1 34 34 THR HB H 1 4.81 0.02 . 1 . . . A 72 THR HB . 25002 1 135 . 1 1 34 34 THR HG21 H 1 1.21 0.02 . 1 . . . A 72 THR HG21 . 25002 1 136 . 1 1 34 34 THR HG22 H 1 1.21 0.02 . 1 . . . A 72 THR HG22 . 25002 1 137 . 1 1 34 34 THR HG23 H 1 1.21 0.02 . 1 . . . A 72 THR HG23 . 25002 1 138 . 1 1 34 34 THR C C 13 175.34 0.05 . 1 . . . A 72 THR C . 25002 1 139 . 1 1 34 34 THR CA C 13 58.86 0.05 . 1 . . . A 72 THR CA . 25002 1 140 . 1 1 34 34 THR CB C 13 72.64 0.05 . 1 . . . A 72 THR CB . 25002 1 141 . 1 1 34 34 THR CG2 C 13 21.43 0.05 . 1 . . . A 72 THR CG2 . 25002 1 142 . 1 1 34 34 THR N N 15 110.90 0.05 . 1 . . . A 72 THR N . 25002 1 143 . 1 1 35 35 VAL H H 1 9.29 0.02 . 1 . . . A 73 VAL H . 25002 1 144 . 1 1 35 35 VAL HA H 1 3.42 0.02 . 1 . . . A 73 VAL HA . 25002 1 145 . 1 1 35 35 VAL HB H 1 1.94 0.02 . 1 . . . A 73 VAL HB . 25002 1 146 . 1 1 35 35 VAL HG11 H 1 0.81 0.02 . 1 . . . A 73 VAL HG11 . 25002 1 147 . 1 1 35 35 VAL HG12 H 1 0.81 0.02 . 1 . . . A 73 VAL HG12 . 25002 1 148 . 1 1 35 35 VAL HG13 H 1 0.81 0.02 . 1 . . . A 73 VAL HG13 . 25002 1 149 . 1 1 35 35 VAL HG21 H 1 1.11 0.02 . 1 . . . A 73 VAL HG21 . 25002 1 150 . 1 1 35 35 VAL HG22 H 1 1.11 0.02 . 1 . . . A 73 VAL HG22 . 25002 1 151 . 1 1 35 35 VAL HG23 H 1 1.11 0.02 . 1 . . . A 73 VAL HG23 . 25002 1 152 . 1 1 35 35 VAL C C 13 177.56 0.05 . 1 . . . A 73 VAL C . 25002 1 153 . 1 1 35 35 VAL CA C 13 67.09 0.05 . 1 . . . A 73 VAL CA . 25002 1 154 . 1 1 35 35 VAL CB C 13 31.54 0.05 . 1 . . . A 73 VAL CB . 25002 1 155 . 1 1 35 35 VAL CG1 C 13 21.99 0.05 . 1 . . . A 73 VAL CG1 . 25002 1 156 . 1 1 35 35 VAL CG2 C 13 24.46 0.05 . 1 . . . A 73 VAL CG2 . 25002 1 157 . 1 1 35 35 VAL N N 15 122.03 0.05 . 1 . . . A 73 VAL N . 25002 1 158 . 1 1 36 36 ALA H H 1 8.62 0.02 . 1 . . . A 74 ALA H . 25002 1 159 . 1 1 36 36 ALA HA H 1 3.88 0.02 . 1 . . . A 74 ALA HA . 25002 1 160 . 1 1 36 36 ALA HB1 H 1 1.34 0.02 . 1 . . . A 74 ALA HB1 . 25002 1 161 . 1 1 36 36 ALA HB2 H 1 1.34 0.02 . 1 . . . A 74 ALA HB2 . 25002 1 162 . 1 1 36 36 ALA HB3 H 1 1.34 0.02 . 1 . . . A 74 ALA HB3 . 25002 1 163 . 1 1 36 36 ALA C C 13 180.40 0.05 . 1 . . . A 74 ALA C . 25002 1 164 . 1 1 36 36 ALA CA C 13 55.50 0.05 . 1 . . . A 74 ALA CA . 25002 1 165 . 1 1 36 36 ALA CB C 13 17.88 0.05 . 1 . . . A 74 ALA CB . 25002 1 166 . 1 1 36 36 ALA N N 15 121.19 0.05 . 1 . . . A 74 ALA N . 25002 1 167 . 1 1 37 37 ASP H H 1 7.77 0.02 . 1 . . . A 75 ASP H . 25002 1 168 . 1 1 37 37 ASP HA H 1 4.34 0.02 . 1 . . . A 75 ASP HA . 25002 1 169 . 1 1 37 37 ASP HB2 H 1 2.89 0.02 . 2 . . . A 75 ASP HB2 . 25002 1 170 . 1 1 37 37 ASP HB3 H 1 2.77 0.02 . 2 . . . A 75 ASP HB3 . 25002 1 171 . 1 1 37 37 ASP C C 13 178.77 0.05 . 1 . . . A 75 ASP C . 25002 1 172 . 1 1 37 37 ASP CA C 13 57.18 0.05 . 1 . . . A 75 ASP CA . 25002 1 173 . 1 1 37 37 ASP CB C 13 40.81 0.05 . 1 . . . A 75 ASP CB . 25002 1 174 . 1 1 37 37 ASP N N 15 118.60 0.05 . 1 . . . A 75 ASP N . 25002 1 175 . 1 1 38 38 LEU H H 1 8.11 0.02 . 1 . . . A 76 LEU H . 25002 1 176 . 1 1 38 38 LEU HA H 1 4.07 0.02 . 1 . . . A 76 LEU HA . 25002 1 177 . 1 1 38 38 LEU HB2 H 1 1.60 0.02 . 2 . . . A 76 LEU HB2 . 25002 1 178 . 1 1 38 38 LEU HB3 H 1 1.44 0.02 . 2 . . . A 76 LEU HB3 . 25002 1 179 . 1 1 38 38 LEU HG H 1 1.56 0.02 . 1 . . . A 76 LEU HG . 25002 1 180 . 1 1 38 38 LEU HD11 H 1 0.56 0.02 . 2 . . . A 76 LEU HD11 . 25002 1 181 . 1 1 38 38 LEU HD12 H 1 0.56 0.02 . 2 . . . A 76 LEU HD12 . 25002 1 182 . 1 1 38 38 LEU HD13 H 1 0.56 0.02 . 2 . . . A 76 LEU HD13 . 25002 1 183 . 1 1 38 38 LEU HD21 H 1 0.49 0.02 . 2 . . . A 76 LEU HD21 . 25002 1 184 . 1 1 38 38 LEU HD22 H 1 0.49 0.02 . 2 . . . A 76 LEU HD22 . 25002 1 185 . 1 1 38 38 LEU HD23 H 1 0.49 0.02 . 2 . . . A 76 LEU HD23 . 25002 1 186 . 1 1 38 38 LEU C C 13 178.49 0.05 . 1 . . . A 76 LEU C . 25002 1 187 . 1 1 38 38 LEU CA C 13 57.33 0.05 . 1 . . . A 76 LEU CA . 25002 1 188 . 1 1 38 38 LEU CB C 13 41.98 0.05 . 1 . . . A 76 LEU CB . 25002 1 189 . 1 1 38 38 LEU CG C 13 26.89 0.05 . 1 . . . A 76 LEU CG . 25002 1 190 . 1 1 38 38 LEU CD1 C 13 24.45 0.05 . 2 . . . A 76 LEU CD1 . 25002 1 191 . 1 1 38 38 LEU CD2 C 13 24.84 0.05 . 2 . . . A 76 LEU CD2 . 25002 1 192 . 1 1 38 38 LEU N N 15 123.69 0.05 . 1 . . . A 76 LEU N . 25002 1 193 . 1 1 39 39 SER H H 1 8.13 0.02 . 1 . . . A 77 SER H . 25002 1 194 . 1 1 39 39 SER HA H 1 4.01 0.02 . 1 . . . A 77 SER HA . 25002 1 195 . 1 1 39 39 SER HB2 H 1 3.90 0.02 . 1 . . . A 77 SER HB2 . 25002 1 196 . 1 1 39 39 SER HB3 H 1 3.90 0.02 . 1 . . . A 77 SER HB3 . 25002 1 197 . 1 1 39 39 SER HG H 1 5.47 0.02 . 1 . . . A 77 SER HG . 25002 1 198 . 1 1 39 39 SER C C 13 176.97 0.05 . 1 . . . A 77 SER C . 25002 1 199 . 1 1 39 39 SER CA C 13 60.91 0.05 . 1 . . . A 77 SER CA . 25002 1 200 . 1 1 39 39 SER CB C 13 62.97 0.05 . 1 . . . A 77 SER CB . 25002 1 201 . 1 1 39 39 SER N N 15 112.33 0.05 . 1 . . . A 77 SER N . 25002 1 202 . 1 1 40 40 LYS H H 1 7.45 0.02 . 1 . . . A 78 LYS H . 25002 1 203 . 1 1 40 40 LYS HA H 1 4.16 0.02 . 1 . . . A 78 LYS HA . 25002 1 204 . 1 1 40 40 LYS HB2 H 1 1.92 0.02 . 1 . . . A 78 LYS HB2 . 25002 1 205 . 1 1 40 40 LYS HB3 H 1 1.92 0.02 . 1 . . . A 78 LYS HB3 . 25002 1 206 . 1 1 40 40 LYS HG2 H 1 1.52 0.02 . 2 . . . A 78 LYS HG2 . 25002 1 207 . 1 1 40 40 LYS HG3 H 1 1.42 0.02 . 2 . . . A 78 LYS HG3 . 25002 1 208 . 1 1 40 40 LYS HD2 H 1 1.63 0.02 . 1 . . . A 78 LYS HD2 . 25002 1 209 . 1 1 40 40 LYS HD3 H 1 1.63 0.02 . 1 . . . A 78 LYS HD3 . 25002 1 210 . 1 1 40 40 LYS HE2 H 1 2.94 0.02 . 1 . . . A 78 LYS HE2 . 25002 1 211 . 1 1 40 40 LYS HE3 H 1 2.94 0.02 . 1 . . . A 78 LYS HE3 . 25002 1 212 . 1 1 40 40 LYS C C 13 179.46 0.05 . 1 . . . A 78 LYS C . 25002 1 213 . 1 1 40 40 LYS CA C 13 58.45 0.05 . 1 . . . A 78 LYS CA . 25002 1 214 . 1 1 40 40 LYS CB C 13 32.52 0.05 . 1 . . . A 78 LYS CB . 25002 1 215 . 1 1 40 40 LYS CG C 13 24.84 0.05 . 1 . . . A 78 LYS CG . 25002 1 216 . 1 1 40 40 LYS CD C 13 29.21 0.05 . 1 . . . A 78 LYS CD . 25002 1 217 . 1 1 40 40 LYS CE C 13 41.64 0.05 . 1 . . . A 78 LYS CE . 25002 1 218 . 1 1 40 40 LYS N N 15 118.52 0.05 . 1 . . . A 78 LYS N . 25002 1 219 . 1 1 41 41 SER H H 1 8.60 0.02 . 1 . . . A 79 SER H . 25002 1 220 . 1 1 41 41 SER HA H 1 4.15 0.02 . 1 . . . A 79 SER HA . 25002 1 221 . 1 1 41 41 SER HB2 H 1 3.94 0.02 . 1 . . . A 79 SER HB2 . 25002 1 222 . 1 1 41 41 SER HB3 H 1 3.94 0.02 . 1 . . . A 79 SER HB3 . 25002 1 223 . 1 1 41 41 SER C C 13 176.45 0.05 . 1 . . . A 79 SER C . 25002 1 224 . 1 1 41 41 SER CA C 13 60.99 0.05 . 1 . . . A 79 SER CA . 25002 1 225 . 1 1 41 41 SER CB C 13 62.62 0.05 . 1 . . . A 79 SER CB . 25002 1 226 . 1 1 41 41 SER N N 15 115.38 0.05 . 1 . . . A 79 SER N . 25002 1 227 . 1 1 42 42 GLN H H 1 7.99 0.02 . 1 . . . A 80 GLN H . 25002 1 228 . 1 1 42 42 GLN HA H 1 4.24 0.02 . 1 . . . A 80 GLN HA . 25002 1 229 . 1 1 42 42 GLN HB2 H 1 2.23 0.02 . 2 . . . A 80 GLN HB2 . 25002 1 230 . 1 1 42 42 GLN HB3 H 1 1.60 0.02 . 2 . . . A 80 GLN HB3 . 25002 1 231 . 1 1 42 42 GLN HG2 H 1 2.24 0.02 . 2 . . . A 80 GLN HG2 . 25002 1 232 . 1 1 42 42 GLN HG3 H 1 2.02 0.02 . 2 . . . A 80 GLN HG3 . 25002 1 233 . 1 1 42 42 GLN C C 13 174.73 0.05 . 1 . . . A 80 GLN C . 25002 1 234 . 1 1 42 42 GLN CA C 13 54.84 0.05 . 1 . . . A 80 GLN CA . 25002 1 235 . 1 1 42 42 GLN CB C 13 28.55 0.05 . 1 . . . A 80 GLN CB . 25002 1 236 . 1 1 42 42 GLN CG C 13 33.89 0.05 . 1 . . . A 80 GLN CG . 25002 1 237 . 1 1 42 42 GLN N N 15 116.96 0.05 . 1 . . . A 80 GLN N . 25002 1 238 . 1 1 43 43 ASP H H 1 7.54 0.02 . 1 . . . A 81 ASP H . 25002 1 239 . 1 1 43 43 ASP HA H 1 4.26 0.02 . 1 . . . A 81 ASP HA . 25002 1 240 . 1 1 43 43 ASP HB2 H 1 2.32 0.02 . 1 . . . A 81 ASP HB2 . 25002 1 241 . 1 1 43 43 ASP HB3 H 1 3.07 0.02 . 1 . . . A 81 ASP HB3 . 25002 1 242 . 1 1 43 43 ASP C C 13 174.11 0.05 . 1 . . . A 81 ASP C . 25002 1 243 . 1 1 43 43 ASP CA C 13 54.79 0.05 . 1 . . . A 81 ASP CA . 25002 1 244 . 1 1 43 43 ASP CB C 13 39.03 0.05 . 1 . . . A 81 ASP CB . 25002 1 245 . 1 1 43 43 ASP N N 15 119.59 0.05 . 1 . . . A 81 ASP N . 25002 1 246 . 1 1 44 44 ILE H H 1 7.93 0.02 . 1 . . . A 82 ILE H . 25002 1 247 . 1 1 44 44 ILE HA H 1 4.28 0.02 . 1 . . . A 82 ILE HA . 25002 1 248 . 1 1 44 44 ILE HB H 1 1.34 0.02 . 1 . . . A 82 ILE HB . 25002 1 249 . 1 1 44 44 ILE HG12 H 1 1.41 0.02 . 2 . . . A 82 ILE HG12 . 25002 1 250 . 1 1 44 44 ILE HG13 H 1 0.86 0.02 . 2 . . . A 82 ILE HG13 . 25002 1 251 . 1 1 44 44 ILE HG21 H 1 0.81 0.02 . 1 . . . A 82 ILE HG21 . 25002 1 252 . 1 1 44 44 ILE HG22 H 1 0.81 0.02 . 1 . . . A 82 ILE HG22 . 25002 1 253 . 1 1 44 44 ILE HG23 H 1 0.81 0.02 . 1 . . . A 82 ILE HG23 . 25002 1 254 . 1 1 44 44 ILE HD11 H 1 0.68 0.02 . 1 . . . A 82 ILE HD11 . 25002 1 255 . 1 1 44 44 ILE HD12 H 1 0.68 0.02 . 1 . . . A 82 ILE HD12 . 25002 1 256 . 1 1 44 44 ILE HD13 H 1 0.68 0.02 . 1 . . . A 82 ILE HD13 . 25002 1 257 . 1 1 44 44 ILE CA C 13 59.11 0.05 . 1 . . . A 82 ILE CA . 25002 1 258 . 1 1 44 44 ILE CB C 13 41.45 0.05 . 1 . . . A 82 ILE CB . 25002 1 259 . 1 1 44 44 ILE CG1 C 13 26.49 0.05 . 1 . . . A 82 ILE CG1 . 25002 1 260 . 1 1 44 44 ILE CG2 C 13 18.00 0.05 . 1 . . . A 82 ILE CG2 . 25002 1 261 . 1 1 44 44 ILE CD1 C 13 14.38 0.05 . 1 . . . A 82 ILE CD1 . 25002 1 262 . 1 1 44 44 ILE N N 15 117.37 0.05 . 1 . . . A 82 ILE N . 25002 1 263 . 1 1 45 45 ASN H H 1 8.62 0.02 . 1 . . . A 83 ASN H . 25002 1 264 . 1 1 45 45 ASN HA H 1 4.44 0.02 . 1 . . . A 83 ASN HA . 25002 1 265 . 1 1 45 45 ASN HB2 H 1 2.94 0.02 . 2 . . . A 83 ASN HB2 . 25002 1 266 . 1 1 45 45 ASN HB3 H 1 2.84 0.02 . 2 . . . A 83 ASN HB3 . 25002 1 267 . 1 1 45 45 ASN HD21 H 1 7.66 0.02 . 1 . . . A 83 ASN HD21 . 25002 1 268 . 1 1 45 45 ASN HD22 H 1 7.03 0.02 . 1 . . . A 83 ASN HD22 . 25002 1 269 . 1 1 45 45 ASN C C 13 177.77 0.05 . 1 . . . A 83 ASN C . 25002 1 270 . 1 1 45 45 ASN CA C 13 53.57 0.05 . 1 . . . A 83 ASN CA . 25002 1 271 . 1 1 45 45 ASN CB C 13 38.77 0.05 . 1 . . . A 83 ASN CB . 25002 1 272 . 1 1 45 45 ASN N N 15 125.40 0.05 . 1 . . . A 83 ASN N . 25002 1 273 . 1 1 45 45 ASN ND2 N 15 113.97 0.05 . 1 . . . A 83 ASN ND2 . 25002 1 274 . 1 1 46 46 LEU H H 1 8.92 0.02 . 1 . . . A 84 LEU H . 25002 1 275 . 1 1 46 46 LEU HA H 1 3.87 0.02 . 1 . . . A 84 LEU HA . 25002 1 276 . 1 1 46 46 LEU HB2 H 1 1.74 0.02 . 1 . . . A 84 LEU HB2 . 25002 1 277 . 1 1 46 46 LEU HB3 H 1 1.48 0.02 . 1 . . . A 84 LEU HB3 . 25002 1 278 . 1 1 46 46 LEU HD21 H 1 0.86 0.02 . 1 . . . A 84 LEU HD21 . 25002 1 279 . 1 1 46 46 LEU HD22 H 1 0.86 0.02 . 1 . . . A 84 LEU HD22 . 25002 1 280 . 1 1 46 46 LEU HD23 H 1 0.86 0.02 . 1 . . . A 84 LEU HD23 . 25002 1 281 . 1 1 46 46 LEU CA C 13 58.24 0.05 . 1 . . . A 84 LEU CA . 25002 1 282 . 1 1 46 46 LEU CB C 13 41.52 0.05 . 1 . . . A 84 LEU CB . 25002 1 283 . 1 1 46 46 LEU CG C 13 28.82 0.05 . 1 . . . A 84 LEU CG . 25002 1 284 . 1 1 46 46 LEU CD2 C 13 24.55 0.05 . 1 . . . A 84 LEU CD2 . 25002 1 285 . 1 1 46 46 LEU N N 15 125.37 0.05 . 1 . . . A 84 LEU N . 25002 1 286 . 1 1 47 47 SER H H 1 8.64 0.02 . 1 . . . A 85 SER H . 25002 1 287 . 1 1 47 47 SER HA H 1 4.73 0.02 . 1 . . . A 85 SER HA . 25002 1 288 . 1 1 47 47 SER HB2 H 1 3.95 0.02 . 1 . . . A 85 SER HB2 . 25002 1 289 . 1 1 47 47 SER HB3 H 1 3.95 0.02 . 1 . . . A 85 SER HB3 . 25002 1 290 . 1 1 47 47 SER C C 13 177.06 0.05 . 1 . . . A 85 SER C . 25002 1 291 . 1 1 47 47 SER CA C 13 61.58 0.05 . 1 . . . A 85 SER CA . 25002 1 292 . 1 1 47 47 SER CB C 13 61.82 0.05 . 1 . . . A 85 SER CB . 25002 1 293 . 1 1 47 47 SER N N 15 115.11 0.05 . 1 . . . A 85 SER N . 25002 1 294 . 1 1 48 48 THR H H 1 7.72 0.02 . 1 . . . A 86 THR H . 25002 1 295 . 1 1 48 48 THR HA H 1 3.97 0.02 . 1 . . . A 86 THR HA . 25002 1 296 . 1 1 48 48 THR HB H 1 4.30 0.02 . 1 . . . A 86 THR HB . 25002 1 297 . 1 1 48 48 THR HG21 H 1 1.11 0.02 . 1 . . . A 86 THR HG21 . 25002 1 298 . 1 1 48 48 THR HG22 H 1 1.11 0.02 . 1 . . . A 86 THR HG22 . 25002 1 299 . 1 1 48 48 THR HG23 H 1 1.11 0.02 . 1 . . . A 86 THR HG23 . 25002 1 300 . 1 1 48 48 THR C C 13 176.25 0.05 . 1 . . . A 86 THR C . 25002 1 301 . 1 1 48 48 THR CA C 13 66.03 0.05 . 1 . . . A 86 THR CA . 25002 1 302 . 1 1 48 48 THR CB C 13 68.06 0.05 . 1 . . . A 86 THR CB . 25002 1 303 . 1 1 48 48 THR CG2 C 13 21.64 0.05 . 1 . . . A 86 THR CG2 . 25002 1 304 . 1 1 48 48 THR N N 15 121.27 0.05 . 1 . . . A 86 THR N . 25002 1 305 . 1 1 49 49 ILE H H 1 7.70 0.02 . 1 . . . A 87 ILE H . 25002 1 306 . 1 1 49 49 ILE HA H 1 3.46 0.02 . 1 . . . A 87 ILE HA . 25002 1 307 . 1 1 49 49 ILE HB H 1 1.89 0.02 . 1 . . . A 87 ILE HB . 25002 1 308 . 1 1 49 49 ILE HG12 H 1 1.81 0.02 . 2 . . . A 87 ILE HG12 . 25002 1 309 . 1 1 49 49 ILE HG13 H 1 0.64 0.02 . 2 . . . A 87 ILE HG13 . 25002 1 310 . 1 1 49 49 ILE HG21 H 1 0.96 0.02 . 1 . . . A 87 ILE HG21 . 25002 1 311 . 1 1 49 49 ILE HG22 H 1 0.96 0.02 . 1 . . . A 87 ILE HG22 . 25002 1 312 . 1 1 49 49 ILE HG23 H 1 0.96 0.02 . 1 . . . A 87 ILE HG23 . 25002 1 313 . 1 1 49 49 ILE HD11 H 1 0.61 0.02 . 1 . . . A 87 ILE HD11 . 25002 1 314 . 1 1 49 49 ILE HD12 H 1 0.61 0.02 . 1 . . . A 87 ILE HD12 . 25002 1 315 . 1 1 49 49 ILE HD13 H 1 0.61 0.02 . 1 . . . A 87 ILE HD13 . 25002 1 316 . 1 1 49 49 ILE C C 13 179.27 0.05 . 1 . . . A 87 ILE C . 25002 1 317 . 1 1 49 49 ILE CA C 13 66.69 0.05 . 1 . . . A 87 ILE CA . 25002 1 318 . 1 1 49 49 ILE CB C 13 37.96 0.05 . 1 . . . A 87 ILE CB . 25002 1 319 . 1 1 49 49 ILE CG1 C 13 29.42 0.05 . 1 . . . A 87 ILE CG1 . 25002 1 320 . 1 1 49 49 ILE CG2 C 13 18.19 0.05 . 1 . . . A 87 ILE CG2 . 25002 1 321 . 1 1 49 49 ILE CD1 C 13 12.77 0.05 . 1 . . . A 87 ILE CD1 . 25002 1 322 . 1 1 49 49 ILE N N 15 120.89 0.05 . 1 . . . A 87 ILE N . 25002 1 323 . 1 1 50 50 TRP H H 1 8.98 0.02 . 1 . . . A 88 TRP H . 25002 1 324 . 1 1 50 50 TRP HA H 1 4.86 0.02 . 1 . . . A 88 TRP HA . 25002 1 325 . 1 1 50 50 TRP HB2 H 1 3.28 0.02 . 2 . . . A 88 TRP HB2 . 25002 1 326 . 1 1 50 50 TRP HB3 H 1 3.23 0.02 . 2 . . . A 88 TRP HB3 . 25002 1 327 . 1 1 50 50 TRP HD1 H 1 7.18 0.02 . 1 . . . A 88 TRP HD1 . 25002 1 328 . 1 1 50 50 TRP HE1 H 1 9.88 0.02 . 1 . . . A 88 TRP HE1 . 25002 1 329 . 1 1 50 50 TRP HE3 H 1 7.19 0.02 . 1 . . . A 88 TRP HE3 . 25002 1 330 . 1 1 50 50 TRP HZ2 H 1 7.43 0.02 . 1 . . . A 88 TRP HZ2 . 25002 1 331 . 1 1 50 50 TRP HH2 H 1 6.90 0.02 . 1 . . . A 88 TRP HH2 . 25002 1 332 . 1 1 50 50 TRP C C 13 176.80 0.05 . 1 . . . A 88 TRP C . 25002 1 333 . 1 1 50 50 TRP CA C 13 59.77 0.05 . 1 . . . A 88 TRP CA . 25002 1 334 . 1 1 50 50 TRP CB C 13 29.72 0.05 . 1 . . . A 88 TRP CB . 25002 1 335 . 1 1 50 50 TRP N N 15 122.40 0.05 . 1 . . . A 88 TRP N . 25002 1 336 . 1 1 50 50 TRP NE1 N 15 127.70 0.05 . 1 . . . A 88 TRP NE1 . 25002 1 337 . 1 1 51 51 SER H H 1 7.79 0.02 . 1 . . . A 89 SER H . 25002 1 338 . 1 1 51 51 SER HA H 1 3.64 0.02 . 1 . . . A 89 SER HA . 25002 1 339 . 1 1 51 51 SER HB2 H 1 3.96 0.02 . 1 . . . A 89 SER HB2 . 25002 1 340 . 1 1 51 51 SER HB3 H 1 3.96 0.02 . 1 . . . A 89 SER HB3 . 25002 1 341 . 1 1 51 51 SER C C 13 175.96 0.05 . 1 . . . A 89 SER C . 25002 1 342 . 1 1 51 51 SER CA C 13 61.95 0.05 . 1 . . . A 89 SER CA . 25002 1 343 . 1 1 51 51 SER CB C 13 62.67 0.05 . 1 . . . A 89 SER CB . 25002 1 344 . 1 1 51 51 SER N N 15 111.74 0.05 . 1 . . . A 89 SER N . 25002 1 345 . 1 1 52 52 LEU H H 1 7.34 0.02 . 1 . . . A 90 LEU H . 25002 1 346 . 1 1 52 52 LEU HA H 1 4.21 0.02 . 1 . . . A 90 LEU HA . 25002 1 347 . 1 1 52 52 LEU HB2 H 1 1.73 0.02 . 2 . . . A 90 LEU HB2 . 25002 1 348 . 1 1 52 52 LEU HB3 H 1 1.32 0.02 . 2 . . . A 90 LEU HB3 . 25002 1 349 . 1 1 52 52 LEU HG H 1 1.72 0.02 . 1 . . . A 90 LEU HG . 25002 1 350 . 1 1 52 52 LEU HD11 H 1 0.60 0.02 . 1 . . . A 90 LEU HD11 . 25002 1 351 . 1 1 52 52 LEU HD12 H 1 0.60 0.02 . 1 . . . A 90 LEU HD12 . 25002 1 352 . 1 1 52 52 LEU HD13 H 1 0.60 0.02 . 1 . . . A 90 LEU HD13 . 25002 1 353 . 1 1 52 52 LEU HD21 H 1 0.67 0.02 . 1 . . . A 90 LEU HD21 . 25002 1 354 . 1 1 52 52 LEU HD22 H 1 0.67 0.02 . 1 . . . A 90 LEU HD22 . 25002 1 355 . 1 1 52 52 LEU HD23 H 1 0.67 0.02 . 1 . . . A 90 LEU HD23 . 25002 1 356 . 1 1 52 52 LEU C C 13 177.19 0.05 . 1 . . . A 90 LEU C . 25002 1 357 . 1 1 52 52 LEU CA C 13 55.60 0.05 . 1 . . . A 90 LEU CA . 25002 1 358 . 1 1 52 52 LEU CB C 13 43.09 0.05 . 1 . . . A 90 LEU CB . 25002 1 359 . 1 1 52 52 LEU CG C 13 26.78 0.05 . 1 . . . A 90 LEU CG . 25002 1 360 . 1 1 52 52 LEU CD1 C 13 25.73 0.05 . 1 . . . A 90 LEU CD1 . 25002 1 361 . 1 1 52 52 LEU CD2 C 13 22.45 0.05 . 1 . . . A 90 LEU CD2 . 25002 1 362 . 1 1 52 52 LEU N N 15 117.89 0.05 . 1 . . . A 90 LEU N . 25002 1 363 . 1 1 53 53 ASN H H 1 7.65 0.02 . 1 . . . A 91 ASN H . 25002 1 364 . 1 1 53 53 ASN HA H 1 4.92 0.02 . 1 . . . A 91 ASN HA . 25002 1 365 . 1 1 53 53 ASN HB2 H 1 2.68 0.02 . 1 . . . A 91 ASN HB2 . 25002 1 366 . 1 1 53 53 ASN HB3 H 1 3.08 0.02 . 1 . . . A 91 ASN HB3 . 25002 1 367 . 1 1 53 53 ASN HD21 H 1 8.32 0.02 . 1 . . . A 91 ASN HD21 . 25002 1 368 . 1 1 53 53 ASN HD22 H 1 8.67 0.02 . 1 . . . A 91 ASN HD22 . 25002 1 369 . 1 1 53 53 ASN C C 13 176.11 0.05 . 1 . . . A 91 ASN C . 25002 1 370 . 1 1 53 53 ASN CA C 13 54.74 0.05 . 1 . . . A 91 ASN CA . 25002 1 371 . 1 1 53 53 ASN CB C 13 42.54 0.05 . 1 . . . A 91 ASN CB . 25002 1 372 . 1 1 53 53 ASN N N 15 115.42 0.05 . 1 . . . A 91 ASN N . 25002 1 373 . 1 1 53 53 ASN ND2 N 15 117.93 0.05 . 1 . . . A 91 ASN ND2 . 25002 1 374 . 1 1 54 54 LYS H H 1 7.28 0.02 . 1 . . . A 92 LYS H . 25002 1 375 . 1 1 54 54 LYS HA H 1 3.43 0.02 . 1 . . . A 92 LYS HA . 25002 1 376 . 1 1 54 54 LYS HB2 H 1 1.13 0.02 . 1 . . . A 92 LYS HB2 . 25002 1 377 . 1 1 54 54 LYS HB3 H 1 0.49 0.02 . 1 . . . A 92 LYS HB3 . 25002 1 378 . 1 1 54 54 LYS HG2 H 1 0.72 0.02 . 2 . . . A 92 LYS HG2 . 25002 1 379 . 1 1 54 54 LYS HG3 H 1 0.64 0.02 . 2 . . . A 92 LYS HG3 . 25002 1 380 . 1 1 54 54 LYS HD2 H 1 1.26 0.02 . 2 . . . A 92 LYS HD2 . 25002 1 381 . 1 1 54 54 LYS HD3 H 1 1.19 0.02 . 2 . . . A 92 LYS HD3 . 25002 1 382 . 1 1 54 54 LYS HE2 H 1 2.61 0.02 . 1 . . . A 92 LYS HE2 . 25002 1 383 . 1 1 54 54 LYS HE3 H 1 2.61 0.02 . 1 . . . A 92 LYS HE3 . 25002 1 384 . 1 1 54 54 LYS CA C 13 58.51 0.05 . 1 . . . A 92 LYS CA . 25002 1 385 . 1 1 54 54 LYS CB C 13 30.83 0.05 . 1 . . . A 92 LYS CB . 25002 1 386 . 1 1 54 54 LYS CG C 13 22.89 0.05 . 1 . . . A 92 LYS CG . 25002 1 387 . 1 1 54 54 LYS CD C 13 29.45 0.05 . 1 . . . A 92 LYS CD . 25002 1 388 . 1 1 54 54 LYS CE C 13 41.72 0.05 . 1 . . . A 92 LYS CE . 25002 1 389 . 1 1 54 54 LYS N N 15 120.14 0.05 . 1 . . . A 92 LYS N . 25002 1 390 . 1 1 55 55 HIS H H 1 8.57 0.02 . 1 . . . A 93 HIS H . 25002 1 391 . 1 1 55 55 HIS HA H 1 4.62 0.02 . 1 . . . A 93 HIS HA . 25002 1 392 . 1 1 55 55 HIS HB2 H 1 3.08 0.02 . 2 . . . A 93 HIS HB2 . 25002 1 393 . 1 1 55 55 HIS HB3 H 1 2.83 0.02 . 2 . . . A 93 HIS HB3 . 25002 1 394 . 1 1 55 55 HIS C C 13 175.59 0.05 . 1 . . . A 93 HIS C . 25002 1 395 . 1 1 55 55 HIS CA C 13 56.21 0.05 . 1 . . . A 93 HIS CA . 25002 1 396 . 1 1 55 55 HIS CB C 13 29.57 0.05 . 1 . . . A 93 HIS CB . 25002 1 397 . 1 1 55 55 HIS N N 15 115.34 0.05 . 1 . . . A 93 HIS N . 25002 1 398 . 1 1 56 56 LEU H H 1 7.44 0.02 . 1 . . . A 94 LEU H . 25002 1 399 . 1 1 56 56 LEU HA H 1 4.11 0.02 . 1 . . . A 94 LEU HA . 25002 1 400 . 1 1 56 56 LEU HB2 H 1 1.52 0.02 . 1 . . . A 94 LEU HB2 . 25002 1 401 . 1 1 56 56 LEU HB3 H 1 1.01 0.02 . 1 . . . A 94 LEU HB3 . 25002 1 402 . 1 1 56 56 LEU HG H 1 0.25 0.02 . 1 . . . A 94 LEU HG . 25002 1 403 . 1 1 56 56 LEU HD11 H 1 0.58 0.02 . 1 . . . A 94 LEU HD11 . 25002 1 404 . 1 1 56 56 LEU HD12 H 1 0.58 0.02 . 1 . . . A 94 LEU HD12 . 25002 1 405 . 1 1 56 56 LEU HD13 H 1 0.58 0.02 . 1 . . . A 94 LEU HD13 . 25002 1 406 . 1 1 56 56 LEU HD21 H 1 0.65 0.02 . 1 . . . A 94 LEU HD21 . 25002 1 407 . 1 1 56 56 LEU HD22 H 1 0.65 0.02 . 1 . . . A 94 LEU HD22 . 25002 1 408 . 1 1 56 56 LEU HD23 H 1 0.65 0.02 . 1 . . . A 94 LEU HD23 . 25002 1 409 . 1 1 56 56 LEU C C 13 175.70 0.05 . 1 . . . A 94 LEU C . 25002 1 410 . 1 1 56 56 LEU CA C 13 54.94 0.05 . 1 . . . A 94 LEU CA . 25002 1 411 . 1 1 56 56 LEU CB C 13 44.31 0.05 . 1 . . . A 94 LEU CB . 25002 1 412 . 1 1 56 56 LEU CG C 13 26.09 0.05 . 1 . . . A 94 LEU CG . 25002 1 413 . 1 1 56 56 LEU CD1 C 13 25.16 0.05 . 1 . . . A 94 LEU CD1 . 25002 1 414 . 1 1 56 56 LEU CD2 C 13 22.93 0.05 . 1 . . . A 94 LEU CD2 . 25002 1 415 . 1 1 56 56 LEU N N 15 121.47 0.05 . 1 . . . A 94 LEU N . 25002 1 416 . 1 1 57 57 TYR H H 1 7.24 0.02 . 1 . . . A 95 TYR H . 25002 1 417 . 1 1 57 57 TYR HA H 1 4.76 0.02 . 1 . . . A 95 TYR HA . 25002 1 418 . 1 1 57 57 TYR HB2 H 1 2.78 0.02 . 1 . . . A 95 TYR HB2 . 25002 1 419 . 1 1 57 57 TYR HB3 H 1 3.17 0.02 . 1 . . . A 95 TYR HB3 . 25002 1 420 . 1 1 57 57 TYR HD1 H 1 7.15 0.02 . 1 . . . A 95 TYR HD1 . 25002 1 421 . 1 1 57 57 TYR HD2 H 1 7.15 0.02 . 1 . . . A 95 TYR HD2 . 25002 1 422 . 1 1 57 57 TYR HE1 H 1 6.83 0.02 . 1 . . . A 95 TYR HE1 . 25002 1 423 . 1 1 57 57 TYR HE2 H 1 6.83 0.02 . 1 . . . A 95 TYR HE2 . 25002 1 424 . 1 1 57 57 TYR C C 13 175.49 0.05 . 1 . . . A 95 TYR C . 25002 1 425 . 1 1 57 57 TYR CA C 13 56.72 0.05 . 1 . . . A 95 TYR CA . 25002 1 426 . 1 1 57 57 TYR CB C 13 43.30 0.05 . 1 . . . A 95 TYR CB . 25002 1 427 . 1 1 57 57 TYR N N 15 115.96 0.05 . 1 . . . A 95 TYR N . 25002 1 428 . 1 1 58 58 SER H H 1 9.06 0.02 . 1 . . . A 96 SER H . 25002 1 429 . 1 1 58 58 SER HA H 1 4.34 0.02 . 1 . . . A 96 SER HA . 25002 1 430 . 1 1 58 58 SER HB2 H 1 3.99 0.02 . 1 . . . A 96 SER HB2 . 25002 1 431 . 1 1 58 58 SER HB3 H 1 3.99 0.02 . 1 . . . A 96 SER HB3 . 25002 1 432 . 1 1 58 58 SER C C 13 174.49 0.05 . 1 . . . A 96 SER C . 25002 1 433 . 1 1 58 58 SER CA C 13 60.59 0.05 . 1 . . . A 96 SER CA . 25002 1 434 . 1 1 58 58 SER CB C 13 63.33 0.05 . 1 . . . A 96 SER CB . 25002 1 435 . 1 1 58 58 SER N N 15 114.61 0.05 . 1 . . . A 96 SER N . 25002 1 436 . 1 1 59 59 SER H H 1 7.56 0.02 . 1 . . . A 97 SER H . 25002 1 437 . 1 1 59 59 SER HA H 1 4.47 0.02 . 1 . . . A 97 SER HA . 25002 1 438 . 1 1 59 59 SER HB2 H 1 3.97 0.02 . 1 . . . A 97 SER HB2 . 25002 1 439 . 1 1 59 59 SER HB3 H 1 3.97 0.02 . 1 . . . A 97 SER HB3 . 25002 1 440 . 1 1 59 59 SER CA C 13 57.07 0.05 . 1 . . . A 97 SER CA . 25002 1 441 . 1 1 59 59 SER CB C 13 65.87 0.05 . 1 . . . A 97 SER CB . 25002 1 442 . 1 1 59 59 SER N N 15 111.96 0.05 . 1 . . . A 97 SER N . 25002 1 443 . 1 1 60 60 GLU H H 1 8.43 0.02 . 1 . . . A 98 GLU H . 25002 1 444 . 1 1 60 60 GLU HA H 1 2.93 0.02 . 1 . . . A 98 GLU HA . 25002 1 445 . 1 1 60 60 GLU HB2 H 1 0.87 0.02 . 1 . . . A 98 GLU HB2 . 25002 1 446 . 1 1 60 60 GLU HB3 H 1 1.31 0.02 . 1 . . . A 98 GLU HB3 . 25002 1 447 . 1 1 60 60 GLU HG2 H 1 1.50 0.02 . 2 . . . A 98 GLU HG2 . 25002 1 448 . 1 1 60 60 GLU HG3 H 1 1.17 0.02 . 2 . . . A 98 GLU HG3 . 25002 1 449 . 1 1 60 60 GLU C C 13 179.30 0.05 . 1 . . . A 98 GLU C . 25002 1 450 . 1 1 60 60 GLU CA C 13 59.47 0.05 . 1 . . . A 98 GLU CA . 25002 1 451 . 1 1 60 60 GLU CB C 13 28.89 0.05 . 1 . . . A 98 GLU CB . 25002 1 452 . 1 1 60 60 GLU CG C 13 35.78 0.05 . 1 . . . A 98 GLU CG . 25002 1 453 . 1 1 60 60 GLU N N 15 124.16 0.05 . 1 . . . A 98 GLU N . 25002 1 454 . 1 1 61 61 SER H H 1 7.94 0.02 . 1 . . . A 99 SER H . 25002 1 455 . 1 1 61 61 SER HA H 1 3.88 0.02 . 1 . . . A 99 SER HA . 25002 1 456 . 1 1 61 61 SER HB2 H 1 3.69 0.02 . 1 . . . A 99 SER HB2 . 25002 1 457 . 1 1 61 61 SER HB3 H 1 3.69 0.02 . 1 . . . A 99 SER HB3 . 25002 1 458 . 1 1 61 61 SER C C 13 177.06 0.05 . 1 . . . A 99 SER C . 25002 1 459 . 1 1 61 61 SER CA C 13 60.82 0.05 . 1 . . . A 99 SER CA . 25002 1 460 . 1 1 61 61 SER CB C 13 62.11 0.05 . 1 . . . A 99 SER CB . 25002 1 461 . 1 1 61 61 SER N N 15 112.47 0.05 . 1 . . . A 99 SER N . 25002 1 462 . 1 1 62 62 GLU H H 1 7.51 0.02 . 1 . . . A 100 GLU H . 25002 1 463 . 1 1 62 62 GLU HA H 1 3.96 0.02 . 1 . . . A 100 GLU HA . 25002 1 464 . 1 1 62 62 GLU HB2 H 1 2.33 0.02 . 1 . . . A 100 GLU HB2 . 25002 1 465 . 1 1 62 62 GLU HB3 H 1 2.12 0.02 . 1 . . . A 100 GLU HB3 . 25002 1 466 . 1 1 62 62 GLU HG2 H 1 2.42 0.02 . 2 . . . A 100 GLU HG2 . 25002 1 467 . 1 1 62 62 GLU HG3 H 1 2.30 0.02 . 2 . . . A 100 GLU HG3 . 25002 1 468 . 1 1 62 62 GLU C C 13 177.72 0.05 . 1 . . . A 100 GLU C . 25002 1 469 . 1 1 62 62 GLU CA C 13 58.89 0.05 . 1 . . . A 100 GLU CA . 25002 1 470 . 1 1 62 62 GLU CB C 13 29.97 0.05 . 1 . . . A 100 GLU CB . 25002 1 471 . 1 1 62 62 GLU CG C 13 37.03 0.05 . 1 . . . A 100 GLU CG . 25002 1 472 . 1 1 62 62 GLU N N 15 121.24 0.05 . 1 . . . A 100 GLU N . 25002 1 473 . 1 1 63 63 MET H H 1 7.70 0.02 . 1 . . . A 101 MET H . 25002 1 474 . 1 1 63 63 MET HA H 1 2.86 0.02 . 1 . . . A 101 MET HA . 25002 1 475 . 1 1 63 63 MET HB2 H 1 1.56 0.02 . 1 . . . A 101 MET HB2 . 25002 1 476 . 1 1 63 63 MET HB3 H 1 2.25 0.02 . 1 . . . A 101 MET HB3 . 25002 1 477 . 1 1 63 63 MET HG2 H 1 1.92 0.02 . 2 . . . A 101 MET HG2 . 25002 1 478 . 1 1 63 63 MET HG3 H 1 1.82 0.02 . 2 . . . A 101 MET HG3 . 25002 1 479 . 1 1 63 63 MET HE1 H 1 1.99 0.02 . 1 . . . A 101 MET HE1 . 25002 1 480 . 1 1 63 63 MET HE2 H 1 1.99 0.02 . 1 . . . A 101 MET HE2 . 25002 1 481 . 1 1 63 63 MET HE3 H 1 1.99 0.02 . 1 . . . A 101 MET HE3 . 25002 1 482 . 1 1 63 63 MET C C 13 177.21 0.05 . 1 . . . A 101 MET C . 25002 1 483 . 1 1 63 63 MET CA C 13 58.65 0.05 . 1 . . . A 101 MET CA . 25002 1 484 . 1 1 63 63 MET CB C 13 32.42 0.05 . 1 . . . A 101 MET CB . 25002 1 485 . 1 1 63 63 MET CG C 13 31.25 0.05 . 1 . . . A 101 MET CG . 25002 1 486 . 1 1 63 63 MET CE C 13 17.44 0.05 . 1 . . . A 101 MET CE . 25002 1 487 . 1 1 63 63 MET N N 15 121.14 0.05 . 1 . . . A 101 MET N . 25002 1 488 . 1 1 64 64 MET H H 1 7.71 0.02 . 1 . . . A 102 MET H . 25002 1 489 . 1 1 64 64 MET HA H 1 4.15 0.02 . 1 . . . A 102 MET HA . 25002 1 490 . 1 1 64 64 MET HB2 H 1 2.08 0.02 . 1 . . . A 102 MET HB2 . 25002 1 491 . 1 1 64 64 MET HB3 H 1 2.08 0.02 . 1 . . . A 102 MET HB3 . 25002 1 492 . 1 1 64 64 MET HG2 H 1 2.72 0.02 . 2 . . . A 102 MET HG2 . 25002 1 493 . 1 1 64 64 MET HG3 H 1 2.61 0.02 . 2 . . . A 102 MET HG3 . 25002 1 494 . 1 1 64 64 MET CA C 13 55.86 0.05 . 1 . . . A 102 MET CA . 25002 1 495 . 1 1 64 64 MET CB C 13 29.84 0.05 . 1 . . . A 102 MET CB . 25002 1 496 . 1 1 64 64 MET CG C 13 31.71 0.05 . 1 . . . A 102 MET CG . 25002 1 497 . 1 1 64 64 MET N N 15 112.28 0.05 . 1 . . . A 102 MET N . 25002 1 498 . 1 1 65 65 LYS H H 1 7.22 0.02 . 1 . . . A 103 LYS H . 25002 1 499 . 1 1 65 65 LYS HA H 1 4.36 0.02 . 1 . . . A 103 LYS HA . 25002 1 500 . 1 1 65 65 LYS HB2 H 1 2.03 0.02 . 2 . . . A 103 LYS HB2 . 25002 1 501 . 1 1 65 65 LYS HB3 H 1 1.74 0.02 . 2 . . . A 103 LYS HB3 . 25002 1 502 . 1 1 65 65 LYS HG2 H 1 1.51 0.02 . 1 . . . A 103 LYS HG2 . 25002 1 503 . 1 1 65 65 LYS HG3 H 1 1.51 0.02 . 1 . . . A 103 LYS HG3 . 25002 1 504 . 1 1 65 65 LYS HD2 H 1 1.61 0.02 . 1 . . . A 103 LYS HD2 . 25002 1 505 . 1 1 65 65 LYS HD3 H 1 1.61 0.02 . 1 . . . A 103 LYS HD3 . 25002 1 506 . 1 1 65 65 LYS HE2 H 1 2.94 0.02 . 1 . . . A 103 LYS HE2 . 25002 1 507 . 1 1 65 65 LYS HE3 H 1 2.94 0.02 . 1 . . . A 103 LYS HE3 . 25002 1 508 . 1 1 65 65 LYS C C 13 175.50 0.05 . 1 . . . A 103 LYS C . 25002 1 509 . 1 1 65 65 LYS CA C 13 55.20 0.05 . 1 . . . A 103 LYS CA . 25002 1 510 . 1 1 65 65 LYS CB C 13 32.37 0.05 . 1 . . . A 103 LYS CB . 25002 1 511 . 1 1 65 65 LYS CG C 13 24.74 0.05 . 1 . . . A 103 LYS CG . 25002 1 512 . 1 1 65 65 LYS CD C 13 29.26 0.05 . 1 . . . A 103 LYS CD . 25002 1 513 . 1 1 65 65 LYS CE C 13 41.82 0.05 . 1 . . . A 103 LYS CE . 25002 1 514 . 1 1 65 65 LYS N N 15 118.70 0.05 . 1 . . . A 103 LYS N . 25002 1 515 . 1 1 66 66 ALA H H 1 7.43 0.02 . 1 . . . A 104 ALA H . 25002 1 516 . 1 1 66 66 ALA HA H 1 4.11 0.02 . 1 . . . A 104 ALA HA . 25002 1 517 . 1 1 66 66 ALA HB1 H 1 1.27 0.02 . 1 . . . A 104 ALA HB1 . 25002 1 518 . 1 1 66 66 ALA HB2 H 1 1.27 0.02 . 1 . . . A 104 ALA HB2 . 25002 1 519 . 1 1 66 66 ALA HB3 H 1 1.27 0.02 . 1 . . . A 104 ALA HB3 . 25002 1 520 . 1 1 66 66 ALA C C 13 176.33 0.05 . 1 . . . A 104 ALA C . 25002 1 521 . 1 1 66 66 ALA CA C 13 54.08 0.05 . 1 . . . A 104 ALA CA . 25002 1 522 . 1 1 66 66 ALA CB C 13 18.35 0.05 . 1 . . . A 104 ALA CB . 25002 1 523 . 1 1 66 66 ALA N N 15 125.39 0.05 . 1 . . . A 104 ALA N . 25002 1 524 . 1 1 67 67 ALA H H 1 8.51 0.02 . 1 . . . A 105 ALA H . 25002 1 525 . 1 1 67 67 ALA HA H 1 4.26 0.02 . 1 . . . A 105 ALA HA . 25002 1 526 . 1 1 67 67 ALA HB1 H 1 1.42 0.02 . 1 . . . A 105 ALA HB1 . 25002 1 527 . 1 1 67 67 ALA HB2 H 1 1.42 0.02 . 1 . . . A 105 ALA HB2 . 25002 1 528 . 1 1 67 67 ALA HB3 H 1 1.42 0.02 . 1 . . . A 105 ALA HB3 . 25002 1 529 . 1 1 67 67 ALA C C 13 175.00 0.05 . 1 . . . A 105 ALA C . 25002 1 530 . 1 1 67 67 ALA CA C 13 49.90 0.05 . 1 . . . A 105 ALA CA . 25002 1 531 . 1 1 67 67 ALA CB C 13 18.94 0.05 . 1 . . . A 105 ALA CB . 25002 1 532 . 1 1 67 67 ALA N N 15 127.27 0.05 . 1 . . . A 105 ALA N . 25002 1 533 . 1 1 68 68 PRO HA H 1 3.88 0.02 . 1 . . . A 106 PRO HA . 25002 1 534 . 1 1 68 68 PRO HB2 H 1 1.89 0.02 . 2 . . . A 106 PRO HB2 . 25002 1 535 . 1 1 68 68 PRO HB3 H 1 1.74 0.02 . 2 . . . A 106 PRO HB3 . 25002 1 536 . 1 1 68 68 PRO HG2 H 1 2.24 0.02 . 2 . . . A 106 PRO HG2 . 25002 1 537 . 1 1 68 68 PRO HG3 H 1 2.06 0.02 . 2 . . . A 106 PRO HG3 . 25002 1 538 . 1 1 68 68 PRO HD2 H 1 4.07 0.02 . 2 . . . A 106 PRO HD2 . 25002 1 539 . 1 1 68 68 PRO HD3 H 1 3.50 0.02 . 2 . . . A 106 PRO HD3 . 25002 1 540 . 1 1 68 68 PRO CA C 13 63.89 0.05 . 1 . . . A 106 PRO CA . 25002 1 541 . 1 1 68 68 PRO CB C 13 31.35 0.05 . 1 . . . A 106 PRO CB . 25002 1 542 . 1 1 68 68 PRO CG C 13 29.06 0.05 . 1 . . . A 106 PRO CG . 25002 1 543 . 1 1 68 68 PRO CD C 13 50.30 0.05 . 1 . . . A 106 PRO CD . 25002 1 544 . 1 1 69 69 GLY H H 1 8.87 0.02 . 1 . . . A 107 GLY H . 25002 1 545 . 1 1 69 69 GLY HA2 H 1 3.33 0.02 . 1 . . . A 107 GLY HA2 . 25002 1 546 . 1 1 69 69 GLY HA3 H 1 4.42 0.02 . 1 . . . A 107 GLY HA3 . 25002 1 547 . 1 1 69 69 GLY C C 13 174.77 0.05 . 1 . . . A 107 GLY C . 25002 1 548 . 1 1 69 69 GLY CA C 13 44.67 0.05 . 1 . . . A 107 GLY CA . 25002 1 549 . 1 1 69 69 GLY N N 15 112.96 0.05 . 1 . . . A 107 GLY N . 25002 1 550 . 1 1 70 70 GLN H H 1 8.31 0.02 . 1 . . . A 108 GLN H . 25002 1 551 . 1 1 70 70 GLN HA H 1 4.45 0.02 . 1 . . . A 108 GLN HA . 25002 1 552 . 1 1 70 70 GLN HB2 H 1 2.51 0.02 . 2 . . . A 108 GLN HB2 . 25002 1 553 . 1 1 70 70 GLN HB3 H 1 2.38 0.02 . 2 . . . A 108 GLN HB3 . 25002 1 554 . 1 1 70 70 GLN HG2 H 1 2.42 0.02 . 1 . . . A 108 GLN HG2 . 25002 1 555 . 1 1 70 70 GLN HG3 H 1 2.42 0.02 . 1 . . . A 108 GLN HG3 . 25002 1 556 . 1 1 70 70 GLN C C 13 174.52 0.05 . 1 . . . A 108 GLN C . 25002 1 557 . 1 1 70 70 GLN CA C 13 56.26 0.05 . 1 . . . A 108 GLN CA . 25002 1 558 . 1 1 70 70 GLN CB C 13 29.98 0.05 . 1 . . . A 108 GLN CB . 25002 1 559 . 1 1 70 70 GLN CG C 13 36.43 0.05 . 1 . . . A 108 GLN CG . 25002 1 560 . 1 1 70 70 GLN N N 15 120.36 0.05 . 1 . . . A 108 GLN N . 25002 1 561 . 1 1 71 71 GLN H H 1 8.20 0.02 . 1 . . . A 109 GLN H . 25002 1 562 . 1 1 71 71 GLN HA H 1 5.35 0.02 . 1 . . . A 109 GLN HA . 25002 1 563 . 1 1 71 71 GLN HB2 H 1 1.94 0.02 . 2 . . . A 109 GLN HB2 . 25002 1 564 . 1 1 71 71 GLN HB3 H 1 1.68 0.02 . 2 . . . A 109 GLN HB3 . 25002 1 565 . 1 1 71 71 GLN HG2 H 1 2.18 0.02 . 2 . . . A 109 GLN HG2 . 25002 1 566 . 1 1 71 71 GLN HG3 H 1 2.08 0.02 . 2 . . . A 109 GLN HG3 . 25002 1 567 . 1 1 71 71 GLN HE21 H 1 7.19 0.02 . 1 . . . A 109 GLN HE21 . 25002 1 568 . 1 1 71 71 GLN HE22 H 1 6.50 0.02 . 1 . . . A 109 GLN HE22 . 25002 1 569 . 1 1 71 71 GLN C C 13 175.94 0.05 . 1 . . . A 109 GLN C . 25002 1 570 . 1 1 71 71 GLN CA C 13 54.64 0.05 . 1 . . . A 109 GLN CA . 25002 1 571 . 1 1 71 71 GLN CB C 13 32.16 0.05 . 1 . . . A 109 GLN CB . 25002 1 572 . 1 1 71 71 GLN CG C 13 34.81 0.05 . 1 . . . A 109 GLN CG . 25002 1 573 . 1 1 71 71 GLN N N 15 117.50 0.05 . 1 . . . A 109 GLN N . 25002 1 574 . 1 1 71 71 GLN NE2 N 15 111.45 0.05 . 1 . . . A 109 GLN NE2 . 25002 1 575 . 1 1 72 72 ILE H H 1 9.29 0.02 . 1 . . . A 110 ILE H . 25002 1 576 . 1 1 72 72 ILE HA H 1 4.63 0.02 . 1 . . . A 110 ILE HA . 25002 1 577 . 1 1 72 72 ILE HB H 1 1.74 0.02 . 1 . . . A 110 ILE HB . 25002 1 578 . 1 1 72 72 ILE HG12 H 1 1.28 0.02 . 1 . . . A 110 ILE HG12 . 25002 1 579 . 1 1 72 72 ILE HG13 H 1 1.28 0.02 . 1 . . . A 110 ILE HG13 . 25002 1 580 . 1 1 72 72 ILE HG21 H 1 0.78 0.02 . 1 . . . A 110 ILE HG21 . 25002 1 581 . 1 1 72 72 ILE HG22 H 1 0.78 0.02 . 1 . . . A 110 ILE HG22 . 25002 1 582 . 1 1 72 72 ILE HG23 H 1 0.78 0.02 . 1 . . . A 110 ILE HG23 . 25002 1 583 . 1 1 72 72 ILE HD11 H 1 0.70 0.02 . 1 . . . A 110 ILE HD11 . 25002 1 584 . 1 1 72 72 ILE HD12 H 1 0.70 0.02 . 1 . . . A 110 ILE HD12 . 25002 1 585 . 1 1 72 72 ILE HD13 H 1 0.70 0.02 . 1 . . . A 110 ILE HD13 . 25002 1 586 . 1 1 72 72 ILE CA C 13 57.94 0.05 . 1 . . . A 110 ILE CA . 25002 1 587 . 1 1 72 72 ILE CB C 13 41.52 0.05 . 1 . . . A 110 ILE CB . 25002 1 588 . 1 1 72 72 ILE CG1 C 13 26.54 0.05 . 1 . . . A 110 ILE CG1 . 25002 1 589 . 1 1 72 72 ILE CG2 C 13 17.64 0.05 . 1 . . . A 110 ILE CG2 . 25002 1 590 . 1 1 72 72 ILE CD1 C 13 12.17 0.05 . 1 . . . A 110 ILE CD1 . 25002 1 591 . 1 1 72 72 ILE N N 15 123.05 0.05 . 1 . . . A 110 ILE N . 25002 1 592 . 1 1 73 73 ILE H H 1 10.35 0.02 . 1 . . . A 111 ILE H . 25002 1 593 . 1 1 73 73 ILE HA H 1 4.39 0.02 . 1 . . . A 111 ILE HA . 25002 1 594 . 1 1 73 73 ILE HB H 1 1.43 0.02 . 1 . . . A 111 ILE HB . 25002 1 595 . 1 1 73 73 ILE HG12 H 1 1.42 0.02 . 2 . . . A 111 ILE HG12 . 25002 1 596 . 1 1 73 73 ILE HG13 H 1 0.25 0.02 . 2 . . . A 111 ILE HG13 . 25002 1 597 . 1 1 73 73 ILE HG21 H 1 0.57 0.02 . 1 . . . A 111 ILE HG21 . 25002 1 598 . 1 1 73 73 ILE HG22 H 1 0.57 0.02 . 1 . . . A 111 ILE HG22 . 25002 1 599 . 1 1 73 73 ILE HG23 H 1 0.57 0.02 . 1 . . . A 111 ILE HG23 . 25002 1 600 . 1 1 73 73 ILE HD11 H 1 0.78 0.02 . 1 . . . A 111 ILE HD11 . 25002 1 601 . 1 1 73 73 ILE HD12 H 1 0.78 0.02 . 1 . . . A 111 ILE HD12 . 25002 1 602 . 1 1 73 73 ILE HD13 H 1 0.78 0.02 . 1 . . . A 111 ILE HD13 . 25002 1 603 . 1 1 73 73 ILE C C 13 175.59 0.05 . 1 . . . A 111 ILE C . 25002 1 604 . 1 1 73 73 ILE CA C 13 61.35 0.05 . 1 . . . A 111 ILE CA . 25002 1 605 . 1 1 73 73 ILE CB C 13 36.94 0.05 . 1 . . . A 111 ILE CB . 25002 1 606 . 1 1 73 73 ILE CG1 C 13 28.25 0.05 . 1 . . . A 111 ILE CG1 . 25002 1 607 . 1 1 73 73 ILE CG2 C 13 18.72 0.05 . 1 . . . A 111 ILE CG2 . 25002 1 608 . 1 1 73 73 ILE CD1 C 13 13.93 0.05 . 1 . . . A 111 ILE CD1 . 25002 1 609 . 1 1 73 73 ILE N N 15 128.71 0.05 . 1 . . . A 111 ILE N . 25002 1 610 . 1 1 74 74 LEU H H 1 8.72 0.02 . 1 . . . A 112 LEU H . 25002 1 611 . 1 1 74 74 LEU HA H 1 4.82 0.02 . 1 . . . A 112 LEU HA . 25002 1 612 . 1 1 74 74 LEU HB2 H 1 1.40 0.02 . 1 . . . A 112 LEU HB2 . 25002 1 613 . 1 1 74 74 LEU HB3 H 1 1.24 0.02 . 1 . . . A 112 LEU HB3 . 25002 1 614 . 1 1 74 74 LEU HG H 1 1.61 0.02 . 1 . . . A 112 LEU HG . 25002 1 615 . 1 1 74 74 LEU HD11 H 1 0.49 0.02 . 1 . . . A 112 LEU HD11 . 25002 1 616 . 1 1 74 74 LEU HD12 H 1 0.49 0.02 . 1 . . . A 112 LEU HD12 . 25002 1 617 . 1 1 74 74 LEU HD13 H 1 0.49 0.02 . 1 . . . A 112 LEU HD13 . 25002 1 618 . 1 1 74 74 LEU HD21 H 1 0.67 0.02 . 1 . . . A 112 LEU HD21 . 25002 1 619 . 1 1 74 74 LEU HD22 H 1 0.67 0.02 . 1 . . . A 112 LEU HD22 . 25002 1 620 . 1 1 74 74 LEU HD23 H 1 0.67 0.02 . 1 . . . A 112 LEU HD23 . 25002 1 621 . 1 1 74 74 LEU CA C 13 50.56 0.05 . 1 . . . A 112 LEU CA . 25002 1 622 . 1 1 74 74 LEU CB C 13 44.23 0.05 . 1 . . . A 112 LEU CB . 25002 1 623 . 1 1 74 74 LEU CD1 C 13 25.73 0.05 . 1 . . . A 112 LEU CD1 . 25002 1 624 . 1 1 74 74 LEU CD2 C 13 23.07 0.05 . 1 . . . A 112 LEU CD2 . 25002 1 625 . 1 1 74 74 LEU N N 15 124.02 0.05 . 1 . . . A 112 LEU N . 25002 1 626 . 1 1 75 75 PRO HA H 1 4.58 0.02 . 1 . . . A 113 PRO HA . 25002 1 627 . 1 1 75 75 PRO HB2 H 1 1.99 0.02 . 2 . . . A 113 PRO HB2 . 25002 1 628 . 1 1 75 75 PRO HB3 H 1 1.84 0.02 . 2 . . . A 113 PRO HB3 . 25002 1 629 . 1 1 75 75 PRO HG2 H 1 1.94 0.02 . 1 . . . A 113 PRO HG2 . 25002 1 630 . 1 1 75 75 PRO HG3 H 1 1.94 0.02 . 1 . . . A 113 PRO HG3 . 25002 1 631 . 1 1 75 75 PRO HD2 H 1 3.43 0.02 . 2 . . . A 113 PRO HD2 . 25002 1 632 . 1 1 75 75 PRO HD3 H 1 3.24 0.02 . 2 . . . A 113 PRO HD3 . 25002 1 633 . 1 1 75 75 PRO CA C 13 61.81 0.05 . 1 . . . A 113 PRO CA . 25002 1 634 . 1 1 75 75 PRO CB C 13 31.15 0.05 . 1 . . . A 113 PRO CB . 25002 1 635 . 1 1 75 75 PRO CG C 13 27.03 0.05 . 1 . . . A 113 PRO CG . 25002 1 636 . 1 1 75 75 PRO CD C 13 49.25 0.05 . 1 . . . A 113 PRO CD . 25002 1 637 . 1 1 76 76 LEU HA H 1 4.24 0.02 . 1 . . . A 114 LEU HA . 25002 1 638 . 1 1 76 76 LEU HB2 H 1 1.23 0.02 . 1 . . . A 114 LEU HB2 . 25002 1 639 . 1 1 76 76 LEU HB3 H 1 1.49 0.02 . 1 . . . A 114 LEU HB3 . 25002 1 640 . 1 1 76 76 LEU HG H 1 1.56 0.02 . 1 . . . A 114 LEU HG . 25002 1 641 . 1 1 76 76 LEU HD11 H 1 0.80 0.02 . 1 . . . A 114 LEU HD11 . 25002 1 642 . 1 1 76 76 LEU HD12 H 1 0.80 0.02 . 1 . . . A 114 LEU HD12 . 25002 1 643 . 1 1 76 76 LEU HD13 H 1 0.80 0.02 . 1 . . . A 114 LEU HD13 . 25002 1 644 . 1 1 76 76 LEU HD21 H 1 0.81 0.02 . 1 . . . A 114 LEU HD21 . 25002 1 645 . 1 1 76 76 LEU HD22 H 1 0.81 0.02 . 1 . . . A 114 LEU HD22 . 25002 1 646 . 1 1 76 76 LEU HD23 H 1 0.81 0.02 . 1 . . . A 114 LEU HD23 . 25002 1 647 . 1 1 76 76 LEU C C 13 177.37 0.05 . 1 . . . A 114 LEU C . 25002 1 648 . 1 1 76 76 LEU CA C 13 54.49 0.05 . 1 . . . A 114 LEU CA . 25002 1 649 . 1 1 76 76 LEU CB C 13 43.35 0.05 . 1 . . . A 114 LEU CB . 25002 1 650 . 1 1 76 76 LEU CG C 13 27.13 0.05 . 1 . . . A 114 LEU CG . 25002 1 651 . 1 1 76 76 LEU CD1 C 13 24.83 0.05 . 1 . . . A 114 LEU CD1 . 25002 1 652 . 1 1 76 76 LEU CD2 C 13 23.80 0.05 . 1 . . . A 114 LEU CD2 . 25002 1 653 . 1 1 77 77 LYS H H 1 8.31 0.02 . 1 . . . A 115 LYS H . 25002 1 654 . 1 1 77 77 LYS HA H 1 4.25 0.02 . 1 . . . A 115 LYS HA . 25002 1 655 . 1 1 77 77 LYS HB2 H 1 1.71 0.02 . 2 . . . A 115 LYS HB2 . 25002 1 656 . 1 1 77 77 LYS HB3 H 1 1.63 0.02 . 2 . . . A 115 LYS HB3 . 25002 1 657 . 1 1 77 77 LYS HG2 H 1 1.33 0.02 . 1 . . . A 115 LYS HG2 . 25002 1 658 . 1 1 77 77 LYS HG3 H 1 1.33 0.02 . 1 . . . A 115 LYS HG3 . 25002 1 659 . 1 1 77 77 LYS HD2 H 1 1.61 0.02 . 1 . . . A 115 LYS HD2 . 25002 1 660 . 1 1 77 77 LYS HD3 H 1 1.61 0.02 . 1 . . . A 115 LYS HD3 . 25002 1 661 . 1 1 77 77 LYS HE2 H 1 2.93 0.02 . 1 . . . A 115 LYS HE2 . 25002 1 662 . 1 1 77 77 LYS HE3 H 1 2.93 0.02 . 1 . . . A 115 LYS HE3 . 25002 1 663 . 1 1 77 77 LYS CA C 13 56.30 0.05 . 1 . . . A 115 LYS CA . 25002 1 664 . 1 1 77 77 LYS CB C 13 33.23 0.05 . 1 . . . A 115 LYS CB . 25002 1 665 . 1 1 77 77 LYS CG C 13 24.69 0.05 . 1 . . . A 115 LYS CG . 25002 1 666 . 1 1 77 77 LYS CD C 13 29.16 0.05 . 1 . . . A 115 LYS CD . 25002 1 667 . 1 1 77 77 LYS CE C 13 41.96 0.05 . 1 . . . A 115 LYS CE . 25002 1 668 . 1 1 77 77 LYS N N 15 122.85 0.05 . 1 . . . A 115 LYS N . 25002 1 669 . 1 1 78 78 LYS H H 1 8.08 0.02 . 1 . . . A 116 LYS H . 25002 1 670 . 1 1 78 78 LYS HA H 1 4.25 0.02 . 1 . . . A 116 LYS HA . 25002 1 671 . 1 1 78 78 LYS HB2 H 1 1.71 0.02 . 2 . . . A 116 LYS HB2 . 25002 1 672 . 1 1 78 78 LYS HB3 H 1 1.62 0.02 . 2 . . . A 116 LYS HB3 . 25002 1 673 . 1 1 78 78 LYS HG2 H 1 1.31 0.02 . 1 . . . A 116 LYS HG2 . 25002 1 674 . 1 1 78 78 LYS HG3 H 1 1.31 0.02 . 1 . . . A 116 LYS HG3 . 25002 1 675 . 1 1 78 78 LYS HD2 H 1 1.61 0.02 . 1 . . . A 116 LYS HD2 . 25002 1 676 . 1 1 78 78 LYS HD3 H 1 1.61 0.02 . 1 . . . A 116 LYS HD3 . 25002 1 677 . 1 1 78 78 LYS HE2 H 1 2.92 0.02 . 1 . . . A 116 LYS HE2 . 25002 1 678 . 1 1 78 78 LYS HE3 H 1 2.92 0.02 . 1 . . . A 116 LYS HE3 . 25002 1 679 . 1 1 78 78 LYS CA C 13 55.60 0.05 . 1 . . . A 116 LYS CA . 25002 1 680 . 1 1 78 78 LYS CB C 13 33.28 0.05 . 1 . . . A 116 LYS CB . 25002 1 681 . 1 1 78 78 LYS CG C 13 24.43 0.05 . 1 . . . A 116 LYS CG . 25002 1 682 . 1 1 78 78 LYS CD C 13 28.91 0.05 . 1 . . . A 116 LYS CD . 25002 1 683 . 1 1 78 78 LYS CE C 13 41.95 0.05 . 1 . . . A 116 LYS CE . 25002 1 684 . 1 1 78 78 LYS N N 15 121.58 0.05 . 1 . . . A 116 LYS N . 25002 1 685 . 1 1 79 79 LEU H H 1 8.32 0.02 . 1 . . . A 117 LEU H . 25002 1 686 . 1 1 79 79 LEU HB3 H 1 1.41 0.02 . 2 . . . A 117 LEU HB3 . 25002 1 687 . 1 1 79 79 LEU CA C 13 52.86 0.05 . 1 . . . A 117 LEU CA . 25002 1 688 . 1 1 79 79 LEU CB C 13 41.31 0.05 . 1 . . . A 117 LEU CB . 25002 1 689 . 1 1 79 79 LEU N N 15 125.22 0.05 . 1 . . . A 117 LEU N . 25002 1 690 . 1 1 80 80 PRO HA H 1 4.35 0.02 . 1 . . . A 118 PRO HA . 25002 1 691 . 1 1 80 80 PRO HB2 H 1 2.23 0.02 . 2 . . . A 118 PRO HB2 . 25002 1 692 . 1 1 80 80 PRO HB3 H 1 1.81 0.02 . 2 . . . A 118 PRO HB3 . 25002 1 693 . 1 1 80 80 PRO HG2 H 1 1.99 0.02 . 2 . . . A 118 PRO HG2 . 25002 1 694 . 1 1 80 80 PRO HG3 H 1 1.96 0.02 . 2 . . . A 118 PRO HG3 . 25002 1 695 . 1 1 80 80 PRO HD2 H 1 3.74 0.02 . 2 . . . A 118 PRO HD2 . 25002 1 696 . 1 1 80 80 PRO HD3 H 1 3.59 0.02 . 2 . . . A 118 PRO HD3 . 25002 1 697 . 1 1 80 80 PRO CA C 13 62.82 0.05 . 1 . . . A 118 PRO CA . 25002 1 698 . 1 1 80 80 PRO CB C 13 31.86 0.05 . 1 . . . A 118 PRO CB . 25002 1 699 . 1 1 80 80 PRO CG C 13 27.23 0.05 . 1 . . . A 118 PRO CG . 25002 1 700 . 1 1 80 80 PRO CD C 13 50.16 0.05 . 1 . . . A 118 PRO CD . 25002 1 701 . 1 1 81 81 PHE H H 1 8.24 0.02 . 1 . . . A 119 PHE H . 25002 1 702 . 1 1 81 81 PHE C C 13 177.24 0.05 . 1 . . . A 119 PHE C . 25002 1 703 . 1 1 81 81 PHE CA C 13 55.14 0.05 . 1 . . . A 119 PHE CA . 25002 1 704 . 1 1 81 81 PHE CB C 13 42.08 0.05 . 1 . . . A 119 PHE CB . 25002 1 705 . 1 1 81 81 PHE N N 15 122.61 0.05 . 1 . . . A 119 PHE N . 25002 1 706 . 1 1 88 88 LEU H H 1 7.62 0.02 . 1 . . . A 126 LEU H . 25002 1 707 . 1 1 88 88 LEU HA H 1 4.28 0.02 . 1 . . . A 126 LEU HA . 25002 1 708 . 1 1 88 88 LEU HB2 H 1 1.55 0.02 . 2 . . . A 126 LEU HB2 . 25002 1 709 . 1 1 88 88 LEU HB3 H 1 1.51 0.02 . 2 . . . A 126 LEU HB3 . 25002 1 710 . 1 1 88 88 LEU HG H 1 1.56 0.02 . 1 . . . A 126 LEU HG . 25002 1 711 . 1 1 88 88 LEU HD11 H 1 0.81 0.02 . 2 . . . A 126 LEU HD11 . 25002 1 712 . 1 1 88 88 LEU HD12 H 1 0.81 0.02 . 2 . . . A 126 LEU HD12 . 25002 1 713 . 1 1 88 88 LEU HD13 H 1 0.81 0.02 . 2 . . . A 126 LEU HD13 . 25002 1 714 . 1 1 88 88 LEU HD21 H 1 0.88 0.02 . 2 . . . A 126 LEU HD21 . 25002 1 715 . 1 1 88 88 LEU HD22 H 1 0.88 0.02 . 2 . . . A 126 LEU HD22 . 25002 1 716 . 1 1 88 88 LEU HD23 H 1 0.88 0.02 . 2 . . . A 126 LEU HD23 . 25002 1 717 . 1 1 88 88 LEU C C 13 177.37 0.05 . 1 . . . A 126 LEU C . 25002 1 718 . 1 1 88 88 LEU CA C 13 54.94 0.05 . 1 . . . A 126 LEU CA . 25002 1 719 . 1 1 88 88 LEU CB C 13 41.98 0.05 . 1 . . . A 126 LEU CB . 25002 1 720 . 1 1 88 88 LEU CG C 13 26.93 0.05 . 1 . . . A 126 LEU CG . 25002 1 721 . 1 1 88 88 LEU CD1 C 13 23.33 0.05 . 2 . . . A 126 LEU CD1 . 25002 1 722 . 1 1 88 88 LEU CD2 C 13 24.83 0.05 . 2 . . . A 126 LEU CD2 . 25002 1 723 . 1 1 88 88 LEU N N 15 121.23 0.05 . 1 . . . A 126 LEU N . 25002 1 724 . 1 1 89 89 LEU H H 1 8.10 0.02 . 1 . . . A 127 LEU H . 25002 1 725 . 1 1 89 89 LEU HA H 1 4.37 0.02 . 1 . . . A 127 LEU HA . 25002 1 726 . 1 1 89 89 LEU HB3 H 1 1.55 0.02 . 2 . . . A 127 LEU HB3 . 25002 1 727 . 1 1 89 89 LEU CA C 13 54.89 0.05 . 1 . . . A 127 LEU CA . 25002 1 728 . 1 1 89 89 LEU CB C 13 41.93 0.05 . 1 . . . A 127 LEU CB . 25002 1 729 . 1 1 89 89 LEU CG C 13 27.0 0.05 . 1 . . . A 127 LEU CG . 25002 1 730 . 1 1 89 89 LEU CD1 C 13 24.9 0.05 . 2 . . . A 127 LEU CD1 . 25002 1 731 . 1 1 89 89 LEU CD2 C 13 23.3 0.05 . 2 . . . A 127 LEU CD2 . 25002 1 732 . 1 1 89 89 LEU N N 15 122.88 0.05 . 1 . . . A 127 LEU N . 25002 1 733 . 1 1 90 90 GLY H H 1 7.89 0.02 . 1 . . . A 128 GLY H . 25002 1 734 . 1 1 90 90 GLY N N 15 113.57 0.05 . 1 . . . A 128 GLY N . 25002 1 735 . 1 1 93 93 PRO HA H 1 4.35 0.02 . 1 . . . A 131 PRO HA . 25002 1 736 . 1 1 93 93 PRO HB2 H 1 2.22 0.02 . 2 . . . A 131 PRO HB2 . 25002 1 737 . 1 1 93 93 PRO HB3 H 1 1.81 0.02 . 2 . . . A 131 PRO HB3 . 25002 1 738 . 1 1 93 93 PRO HG2 H 1 1.94 0.02 . 2 . . . A 131 PRO HG2 . 25002 1 739 . 1 1 93 93 PRO HG3 H 1 1.89 0.02 . 2 . . . A 131 PRO HG3 . 25002 1 740 . 1 1 93 93 PRO HD2 H 1 3.73 0.02 . 2 . . . A 131 PRO HD2 . 25002 1 741 . 1 1 93 93 PRO HD3 H 1 3.54 0.02 . 2 . . . A 131 PRO HD3 . 25002 1 742 . 1 1 93 93 PRO CA C 13 62.77 0.05 . 1 . . . A 131 PRO CA . 25002 1 743 . 1 1 93 93 PRO CB C 13 31.86 0.05 . 1 . . . A 131 PRO CB . 25002 1 744 . 1 1 93 93 PRO CG C 13 27.23 0.05 . 1 . . . A 131 PRO CG . 25002 1 745 . 1 1 93 93 PRO CD C 13 50.16 0.05 . 1 . . . A 131 PRO CD . 25002 1 746 . 1 1 94 94 LEU H H 1 8.28 0.02 . 1 . . . A 132 LEU H . 25002 1 747 . 1 1 94 94 LEU HA H 1 4.25 0.02 . 1 . . . A 132 LEU HA . 25002 1 748 . 1 1 94 94 LEU HB2 H 1 1.56 0.02 . 2 . . . A 132 LEU HB2 . 25002 1 749 . 1 1 94 94 LEU HB3 H 1 1.51 0.02 . 2 . . . A 132 LEU HB3 . 25002 1 750 . 1 1 94 94 LEU HG H 1 1.54 0.02 . 1 . . . A 132 LEU HG . 25002 1 751 . 1 1 94 94 LEU HD11 H 1 0.84 0.02 . 2 . . . A 132 LEU HD11 . 25002 1 752 . 1 1 94 94 LEU HD12 H 1 0.84 0.02 . 2 . . . A 132 LEU HD12 . 25002 1 753 . 1 1 94 94 LEU HD13 H 1 0.84 0.02 . 2 . . . A 132 LEU HD13 . 25002 1 754 . 1 1 94 94 LEU HD21 H 1 0.87 0.02 . 2 . . . A 132 LEU HD21 . 25002 1 755 . 1 1 94 94 LEU HD22 H 1 0.87 0.02 . 2 . . . A 132 LEU HD22 . 25002 1 756 . 1 1 94 94 LEU HD23 H 1 0.87 0.02 . 2 . . . A 132 LEU HD23 . 25002 1 757 . 1 1 94 94 LEU CA C 13 55.13 0.05 . 1 . . . A 132 LEU CA . 25002 1 758 . 1 1 94 94 LEU CB C 13 41.98 0.05 . 1 . . . A 132 LEU CB . 25002 1 759 . 1 1 94 94 LEU CG C 13 26.93 0.05 . 1 . . . A 132 LEU CG . 25002 1 760 . 1 1 94 94 LEU CD1 C 13 23.55 0.05 . 2 . . . A 132 LEU CD1 . 25002 1 761 . 1 1 94 94 LEU CD2 C 13 24.69 0.05 . 2 . . . A 132 LEU CD2 . 25002 1 762 . 1 1 94 94 LEU N N 15 122.70 0.05 . 1 . . . A 132 LEU N . 25002 1 763 . 1 1 95 95 VAL H H 1 8.00 0.02 . 1 . . . A 133 VAL H . 25002 1 764 . 1 1 95 95 VAL HA H 1 4.04 0.02 . 1 . . . A 133 VAL HA . 25002 1 765 . 1 1 95 95 VAL HB H 1 1.99 0.02 . 1 . . . A 133 VAL HB . 25002 1 766 . 1 1 95 95 VAL HG11 H 1 0.86 0.02 . 2 . . . A 133 VAL HG11 . 25002 1 767 . 1 1 95 95 VAL HG12 H 1 0.86 0.02 . 2 . . . A 133 VAL HG12 . 25002 1 768 . 1 1 95 95 VAL HG13 H 1 0.86 0.02 . 2 . . . A 133 VAL HG13 . 25002 1 769 . 1 1 95 95 VAL HG21 H 1 0.87 0.02 . 2 . . . A 133 VAL HG21 . 25002 1 770 . 1 1 95 95 VAL HG22 H 1 0.87 0.02 . 2 . . . A 133 VAL HG22 . 25002 1 771 . 1 1 95 95 VAL HG23 H 1 0.87 0.02 . 2 . . . A 133 VAL HG23 . 25002 1 772 . 1 1 95 95 VAL CA C 13 61.75 0.05 . 1 . . . A 133 VAL CA . 25002 1 773 . 1 1 95 95 VAL CB C 13 32.77 0.05 . 1 . . . A 133 VAL CB . 25002 1 774 . 1 1 95 95 VAL CG1 C 13 20.22 0.05 . 2 . . . A 133 VAL CG1 . 25002 1 775 . 1 1 95 95 VAL CG2 C 13 20.98 0.05 . 2 . . . A 133 VAL CG2 . 25002 1 776 . 1 1 95 95 VAL N N 15 121.54 0.05 . 1 . . . A 133 VAL N . 25002 1 777 . 1 1 96 96 ALA H H 1 8.31 0.02 . 1 . . . A 134 ALA H . 25002 1 778 . 1 1 96 96 ALA HA H 1 4.27 0.02 . 1 . . . A 134 ALA HA . 25002 1 779 . 1 1 96 96 ALA HB1 H 1 1.32 0.02 . 1 . . . A 134 ALA HB1 . 25002 1 780 . 1 1 96 96 ALA HB2 H 1 1.32 0.02 . 1 . . . A 134 ALA HB2 . 25002 1 781 . 1 1 96 96 ALA HB3 H 1 1.32 0.02 . 1 . . . A 134 ALA HB3 . 25002 1 782 . 1 1 96 96 ALA CA C 13 52.35 0.05 . 1 . . . A 134 ALA CA . 25002 1 783 . 1 1 96 96 ALA CB C 13 19.05 0.05 . 1 . . . A 134 ALA CB . 25002 1 784 . 1 1 96 96 ALA N N 15 128.31 0.05 . 1 . . . A 134 ALA N . 25002 1 785 . 1 1 97 97 ALA H H 1 8.24 0.02 . 1 . . . A 135 ALA H . 25002 1 786 . 1 1 97 97 ALA HA H 1 4.23 0.02 . 1 . . . A 135 ALA HA . 25002 1 787 . 1 1 97 97 ALA HB1 H 1 1.32 0.02 . 1 . . . A 135 ALA HB1 . 25002 1 788 . 1 1 97 97 ALA HB2 H 1 1.32 0.02 . 1 . . . A 135 ALA HB2 . 25002 1 789 . 1 1 97 97 ALA HB3 H 1 1.32 0.02 . 1 . . . A 135 ALA HB3 . 25002 1 790 . 1 1 97 97 ALA CA C 13 52.43 0.05 . 1 . . . A 135 ALA CA . 25002 1 791 . 1 1 97 97 ALA CB C 13 18.94 0.05 . 1 . . . A 135 ALA CB . 25002 1 792 . 1 1 97 97 ALA N N 15 123.83 0.05 . 1 . . . A 135 ALA N . 25002 1 793 . 1 1 98 98 GLY H H 1 8.33 0.02 . 1 . . . A 136 GLY H . 25002 1 794 . 1 1 98 98 GLY HA2 H 1 3.90 0.02 . 1 . . . A 136 GLY HA2 . 25002 1 795 . 1 1 98 98 GLY HA3 H 1 3.90 0.02 . 1 . . . A 136 GLY HA3 . 25002 1 796 . 1 1 98 98 GLY C C 13 174.59 0.05 . 1 . . . A 136 GLY C . 25002 1 797 . 1 1 98 98 GLY CA C 13 45.03 0.05 . 1 . . . A 136 GLY CA . 25002 1 798 . 1 1 98 98 GLY N N 15 108.31 0.05 . 1 . . . A 136 GLY N . 25002 1 799 . 1 1 99 99 GLY H H 1 8.17 0.02 . 1 . . . A 137 GLY H . 25002 1 800 . 1 1 99 99 GLY HA2 H 1 3.92 0.02 . 1 . . . A 137 GLY HA2 . 25002 1 801 . 1 1 99 99 GLY HA3 H 1 3.92 0.02 . 1 . . . A 137 GLY HA3 . 25002 1 802 . 1 1 99 99 GLY C C 13 173.99 0.05 . 1 . . . A 137 GLY C . 25002 1 803 . 1 1 99 99 GLY CA C 13 44.92 0.05 . 1 . . . A 137 GLY CA . 25002 1 804 . 1 1 99 99 GLY N N 15 108.72 0.05 . 1 . . . A 137 GLY N . 25002 1 805 . 1 1 100 100 VAL H H 1 7.97 0.02 . 1 . . . A 138 VAL H . 25002 1 806 . 1 1 100 100 VAL HA H 1 4.05 0.02 . 1 . . . A 138 VAL HA . 25002 1 807 . 1 1 100 100 VAL HB H 1 1.99 0.02 . 1 . . . A 138 VAL HB . 25002 1 808 . 1 1 100 100 VAL HG11 H 1 0.86 0.02 . 2 . . . A 138 VAL HG11 . 25002 1 809 . 1 1 100 100 VAL HG12 H 1 0.86 0.02 . 2 . . . A 138 VAL HG12 . 25002 1 810 . 1 1 100 100 VAL HG13 H 1 0.86 0.02 . 2 . . . A 138 VAL HG13 . 25002 1 811 . 1 1 100 100 VAL HG21 H 1 0.88 0.02 . 2 . . . A 138 VAL HG21 . 25002 1 812 . 1 1 100 100 VAL HG22 H 1 0.88 0.02 . 2 . . . A 138 VAL HG22 . 25002 1 813 . 1 1 100 100 VAL HG23 H 1 0.88 0.02 . 2 . . . A 138 VAL HG23 . 25002 1 814 . 1 1 100 100 VAL C C 13 175.94 0.05 . 1 . . . A 138 VAL C . 25002 1 815 . 1 1 100 100 VAL CA C 13 61.93 0.05 . 1 . . . A 138 VAL CA . 25002 1 816 . 1 1 100 100 VAL CB C 13 32.77 0.05 . 1 . . . A 138 VAL CB . 25002 1 817 . 1 1 100 100 VAL CG1 C 13 20.09 0.05 . 2 . . . A 138 VAL CG1 . 25002 1 818 . 1 1 100 100 VAL CG2 C 13 21.10 0.05 . 2 . . . A 138 VAL CG2 . 25002 1 819 . 1 1 100 100 VAL N N 15 119.23 0.05 . 1 . . . A 138 VAL N . 25002 1 820 . 1 1 101 101 ALA H H 1 8.37 0.02 . 1 . . . A 139 ALA H . 25002 1 821 . 1 1 101 101 ALA HA H 1 4.26 0.02 . 1 . . . A 139 ALA HA . 25002 1 822 . 1 1 101 101 ALA HB1 H 1 1.33 0.02 . 1 . . . A 139 ALA HB1 . 25002 1 823 . 1 1 101 101 ALA HB2 H 1 1.33 0.02 . 1 . . . A 139 ALA HB2 . 25002 1 824 . 1 1 101 101 ALA HB3 H 1 1.33 0.02 . 1 . . . A 139 ALA HB3 . 25002 1 825 . 1 1 101 101 ALA C C 13 177.97 0.05 . 1 . . . A 139 ALA C . 25002 1 826 . 1 1 101 101 ALA CA C 13 52.59 0.05 . 1 . . . A 139 ALA CA . 25002 1 827 . 1 1 101 101 ALA CB C 13 18.94 0.05 . 1 . . . A 139 ALA CB . 25002 1 828 . 1 1 101 101 ALA N N 15 127.75 0.05 . 1 . . . A 139 ALA N . 25002 1 829 . 1 1 102 102 GLY H H 1 8.25 0.02 . 1 . . . A 140 GLY H . 25002 1 830 . 1 1 102 102 GLY HA2 H 1 3.99 0.02 . 1 . . . A 140 GLY HA2 . 25002 1 831 . 1 1 102 102 GLY HA3 H 1 3.99 0.02 . 1 . . . A 140 GLY HA3 . 25002 1 832 . 1 1 102 102 GLY C C 13 173.27 0.05 . 1 . . . A 140 GLY C . 25002 1 833 . 1 1 102 102 GLY CA C 13 45.21 0.05 . 1 . . . A 140 GLY CA . 25002 1 834 . 1 1 102 102 GLY N N 15 108.21 0.05 . 1 . . . A 140 GLY N . 25002 1 835 . 1 1 103 103 HIS H H 1 8.14 0.02 . 1 . . . A 141 HIS H . 25002 1 836 . 1 1 103 103 HIS HA H 1 4.68 0.02 . 1 . . . A 141 HIS HA . 25002 1 837 . 1 1 103 103 HIS HB2 H 1 3.11 0.02 . 2 . . . A 141 HIS HB2 . 25002 1 838 . 1 1 103 103 HIS HB3 H 1 3.06 0.02 . 2 . . . A 141 HIS HB3 . 25002 1 839 . 1 1 103 103 HIS CA C 13 55.89 0.05 . 1 . . . A 141 HIS CA . 25002 1 840 . 1 1 103 103 HIS CB C 13 30.64 0.05 . 1 . . . A 141 HIS CB . 25002 1 841 . 1 1 103 103 HIS N N 15 119.49 0.05 . 1 . . . A 141 HIS N . 25002 1 842 . 1 1 104 104 THR H H 1 8.11 0.02 . 1 . . . A 142 THR H . 25002 1 843 . 1 1 104 104 THR HA H 1 4.29 0.02 . 1 . . . A 142 THR HA . 25002 1 844 . 1 1 104 104 THR HB H 1 4.17 0.02 . 1 . . . A 142 THR HB . 25002 1 845 . 1 1 104 104 THR HG21 H 1 1.10 0.02 . 1 . . . A 142 THR HG21 . 25002 1 846 . 1 1 104 104 THR HG22 H 1 1.10 0.02 . 1 . . . A 142 THR HG22 . 25002 1 847 . 1 1 104 104 THR HG23 H 1 1.10 0.02 . 1 . . . A 142 THR HG23 . 25002 1 848 . 1 1 104 104 THR C C 13 173.28 0.05 . 1 . . . A 142 THR C . 25002 1 849 . 1 1 104 104 THR CA C 13 61.37 0.05 . 1 . . . A 142 THR CA . 25002 1 850 . 1 1 104 104 THR CB C 13 69.69 0.05 . 1 . . . A 142 THR CB . 25002 1 851 . 1 1 104 104 THR CG2 C 13 21.24 0.05 . 1 . . . A 142 THR CG2 . 25002 1 852 . 1 1 104 104 THR N N 15 115.40 0.05 . 1 . . . A 142 THR N . 25002 1 853 . 1 1 105 105 ASN H H 1 8.10 0.02 . 1 . . . A 143 ASN H . 25002 1 854 . 1 1 105 105 ASN HA H 1 4.64 0.02 . 1 . . . A 143 ASN HA . 25002 1 855 . 1 1 105 105 ASN HB2 H 1 2.74 0.02 . 1 . . . A 143 ASN HB2 . 25002 1 856 . 1 1 105 105 ASN HB3 H 1 2.74 0.02 . 1 . . . A 143 ASN HB3 . 25002 1 857 . 1 1 105 105 ASN C C 13 177.30 0.05 . 1 . . . A 143 ASN C . 25002 1 858 . 1 1 105 105 ASN CA C 13 54.80 0.05 . 1 . . . A 143 ASN CA . 25002 1 859 . 1 1 105 105 ASN CB C 13 40.79 0.05 . 1 . . . A 143 ASN CB . 25002 1 860 . 1 1 105 105 ASN N N 15 126.16 0.05 . 1 . . . A 143 ASN N . 25002 1 861 . 1 1 106 106 GLY H H 1 8.35 0.02 . 1 . . . A 144 GLY H . 25002 1 862 . 1 1 106 106 GLY HA2 H 1 3.96 0.02 . 1 . . . A 144 GLY HA2 . 25002 1 863 . 1 1 106 106 GLY HA3 H 1 3.96 0.02 . 1 . . . A 144 GLY HA3 . 25002 1 864 . 1 1 106 106 GLY CA C 13 45.15 0.05 . 1 . . . A 144 GLY CA . 25002 1 865 . 1 1 106 106 GLY N N 15 109.48 0.05 . 1 . . . A 144 GLY N . 25002 1 866 . 1 1 107 107 SER H H 1 8.28 0.02 . 1 . . . A 145 SER H . 25002 1 867 . 1 1 107 107 SER HA H 1 4.35 0.02 . 1 . . . A 145 SER HA . 25002 1 868 . 1 1 107 107 SER HB2 H 1 3.84 0.02 . 1 . . . A 145 SER HB2 . 25002 1 869 . 1 1 107 107 SER HB3 H 1 3.84 0.02 . 1 . . . A 145 SER HB3 . 25002 1 870 . 1 1 107 107 SER CA C 13 58.48 0.05 . 1 . . . A 145 SER CA . 25002 1 871 . 1 1 107 107 SER CB C 13 63.68 0.05 . 1 . . . A 145 SER CB . 25002 1 872 . 1 1 107 107 SER N N 15 115.86 0.05 . 1 . . . A 145 SER N . 25002 1 873 . 1 1 108 108 GLY H H 1 8.52 0.02 . 1 . . . A 146 GLY H . 25002 1 874 . 1 1 108 108 GLY HA2 H 1 3.97 0.02 . 1 . . . A 146 GLY HA2 . 25002 1 875 . 1 1 108 108 GLY HA3 H 1 3.97 0.02 . 1 . . . A 146 GLY HA3 . 25002 1 876 . 1 1 108 108 GLY C C 13 174.36 0.05 . 1 . . . A 146 GLY C . 25002 1 877 . 1 1 108 108 GLY CA C 13 45.39 0.05 . 1 . . . A 146 GLY CA . 25002 1 878 . 1 1 108 108 GLY N N 15 111.23 0.05 . 1 . . . A 146 GLY N . 25002 1 879 . 1 1 109 109 SER H H 1 8.14 0.02 . 1 . . . A 147 SER H . 25002 1 880 . 1 1 109 109 SER HA H 1 4.40 0.02 . 1 . . . A 147 SER HA . 25002 1 881 . 1 1 109 109 SER HB2 H 1 3.82 0.02 . 1 . . . A 147 SER HB2 . 25002 1 882 . 1 1 109 109 SER HB3 H 1 3.82 0.02 . 1 . . . A 147 SER HB3 . 25002 1 883 . 1 1 109 109 SER C C 13 174.57 0.05 . 1 . . . A 147 SER C . 25002 1 884 . 1 1 109 109 SER CA C 13 58.32 0.05 . 1 . . . A 147 SER CA . 25002 1 885 . 1 1 109 109 SER CB C 13 63.51 0.05 . 1 . . . A 147 SER CB . 25002 1 886 . 1 1 109 109 SER N N 15 115.52 0.05 . 1 . . . A 147 SER N . 25002 1 887 . 1 1 110 110 GLU H H 1 8.53 0.02 . 1 . . . A 148 GLU H . 25002 1 888 . 1 1 110 110 GLU HA H 1 4.19 0.02 . 1 . . . A 148 GLU HA . 25002 1 889 . 1 1 110 110 GLU HB2 H 1 1.87 0.02 . 1 . . . A 148 GLU HB2 . 25002 1 890 . 1 1 110 110 GLU HB3 H 1 1.87 0.02 . 1 . . . A 148 GLU HB3 . 25002 1 891 . 1 1 110 110 GLU HG2 H 1 2.18 0.02 . 1 . . . A 148 GLU HG2 . 25002 1 892 . 1 1 110 110 GLU HG3 H 1 2.18 0.02 . 1 . . . A 148 GLU HG3 . 25002 1 893 . 1 1 110 110 GLU C C 13 176.07 0.05 . 1 . . . A 148 GLU C . 25002 1 894 . 1 1 110 110 GLU CA C 13 56.64 0.05 . 1 . . . A 148 GLU CA . 25002 1 895 . 1 1 110 110 GLU CB C 13 29.85 0.05 . 1 . . . A 148 GLU CB . 25002 1 896 . 1 1 110 110 GLU CG C 13 36.05 0.05 . 1 . . . A 148 GLU CG . 25002 1 897 . 1 1 110 110 GLU N N 15 122.21 0.05 . 1 . . . A 148 GLU N . 25002 1 898 . 1 1 111 111 ASN H H 1 8.29 0.02 . 1 . . . A 149 ASN H . 25002 1 899 . 1 1 111 111 ASN HB2 H 1 2.80 0.02 . 1 . . . A 149 ASN HB2 . 25002 1 900 . 1 1 111 111 ASN HB3 H 1 2.80 0.02 . 1 . . . A 149 ASN HB3 . 25002 1 901 . 1 1 111 111 ASN C C 13 174.69 0.05 . 1 . . . A 149 ASN C . 25002 1 902 . 1 1 111 111 ASN CA C 13 52.93 0.05 . 1 . . . A 149 ASN CA . 25002 1 903 . 1 1 111 111 ASN CB C 13 38.59 0.05 . 1 . . . A 149 ASN CB . 25002 1 904 . 1 1 111 111 ASN N N 15 119.03 0.05 . 1 . . . A 149 ASN N . 25002 1 905 . 1 1 112 112 LEU H H 1 7.94 0.02 . 1 . . . A 150 LEU H . 25002 1 906 . 1 1 112 112 LEU HA H 1 4.15 0.02 . 1 . . . A 150 LEU HA . 25002 1 907 . 1 1 112 112 LEU HB2 H 1 1.53 0.02 . 2 . . . A 150 LEU HB2 . 25002 1 908 . 1 1 112 112 LEU HB3 H 1 1.38 0.02 . 2 . . . A 150 LEU HB3 . 25002 1 909 . 1 1 112 112 LEU HG H 1 1.56 0.02 . 1 . . . A 150 LEU HG . 25002 1 910 . 1 1 112 112 LEU HD11 H 1 0.74 0.02 . 2 . . . A 150 LEU HD11 . 25002 1 911 . 1 1 112 112 LEU HD12 H 1 0.74 0.02 . 2 . . . A 150 LEU HD12 . 25002 1 912 . 1 1 112 112 LEU HD13 H 1 0.74 0.02 . 2 . . . A 150 LEU HD13 . 25002 1 913 . 1 1 112 112 LEU HD21 H 1 0.87 0.02 . 2 . . . A 150 LEU HD21 . 25002 1 914 . 1 1 112 112 LEU HD22 H 1 0.87 0.02 . 2 . . . A 150 LEU HD22 . 25002 1 915 . 1 1 112 112 LEU HD23 H 1 0.87 0.02 . 2 . . . A 150 LEU HD23 . 25002 1 916 . 1 1 112 112 LEU C C 13 176.57 0.05 . 1 . . . A 150 LEU C . 25002 1 917 . 1 1 112 112 LEU CA C 13 55.02 0.05 . 1 . . . A 150 LEU CA . 25002 1 918 . 1 1 112 112 LEU CB C 13 42.10 0.05 . 1 . . . A 150 LEU CB . 25002 1 919 . 1 1 112 112 LEU CG C 13 26.70 0.05 . 1 . . . A 150 LEU CG . 25002 1 920 . 1 1 112 112 LEU CD1 C 13 23.11 0.05 . 2 . . . A 150 LEU CD1 . 25002 1 921 . 1 1 112 112 LEU CD2 C 13 24.77 0.05 . 2 . . . A 150 LEU CD2 . 25002 1 922 . 1 1 112 112 LEU N N 15 121.89 0.05 . 1 . . . A 150 LEU N . 25002 1 923 . 1 1 113 113 TYR H H 1 7.89 0.02 . 1 . . . A 151 TYR H . 25002 1 924 . 1 1 113 113 TYR HA H 1 4.44 0.02 . 1 . . . A 151 TYR HA . 25002 1 925 . 1 1 113 113 TYR HB2 H 1 2.81 0.02 . 1 . . . A 151 TYR HB2 . 25002 1 926 . 1 1 113 113 TYR HB3 H 1 2.81 0.02 . 1 . . . A 151 TYR HB3 . 25002 1 927 . 1 1 113 113 TYR HD1 H 1 7.00 0.02 . 1 . . . A 151 TYR HD1 . 25002 1 928 . 1 1 113 113 TYR HD2 H 1 7.00 0.02 . 1 . . . A 151 TYR HD2 . 25002 1 929 . 1 1 113 113 TYR HE1 H 1 6.73 0.02 . 1 . . . A 151 TYR HE1 . 25002 1 930 . 1 1 113 113 TYR HE2 H 1 6.73 0.02 . 1 . . . A 151 TYR HE2 . 25002 1 931 . 1 1 113 113 TYR C C 13 175.06 0.05 . 1 . . . A 151 TYR C . 25002 1 932 . 1 1 113 113 TYR CA C 13 57.41 0.05 . 1 . . . A 151 TYR CA . 25002 1 933 . 1 1 113 113 TYR CB C 13 38.54 0.05 . 1 . . . A 151 TYR CB . 25002 1 934 . 1 1 113 113 TYR N N 15 119.66 0.05 . 1 . . . A 151 TYR N . 25002 1 935 . 1 1 114 114 PHE H H 1 7.92 0.02 . 1 . . . A 152 PHE H . 25002 1 936 . 1 1 114 114 PHE HA H 1 4.53 0.02 . 1 . . . A 152 PHE HA . 25002 1 937 . 1 1 114 114 PHE HB2 H 1 3.10 0.02 . 2 . . . A 152 PHE HB2 . 25002 1 938 . 1 1 114 114 PHE HB3 H 1 2.92 0.02 . 2 . . . A 152 PHE HB3 . 25002 1 939 . 1 1 114 114 PHE HD1 H 1 7.15 0.02 . 1 . . . A 152 PHE HD1 . 25002 1 940 . 1 1 114 114 PHE HD2 H 1 7.15 0.02 . 1 . . . A 152 PHE HD2 . 25002 1 941 . 1 1 114 114 PHE C C 13 174.35 0.05 . 1 . . . A 152 PHE C . 25002 1 942 . 1 1 114 114 PHE CA C 13 57.36 0.05 . 1 . . . A 152 PHE CA . 25002 1 943 . 1 1 114 114 PHE CB C 13 39.46 0.05 . 1 . . . A 152 PHE CB . 25002 1 944 . 1 1 114 114 PHE N N 15 121.46 0.05 . 1 . . . A 152 PHE N . 25002 1 945 . 1 1 115 115 GLN H H 1 7.67 0.02 . 1 . . . A 153 GLN H . 25002 1 946 . 1 1 115 115 GLN CA C 13 57.28 0.05 . 1 . . . A 153 GLN CA . 25002 1 947 . 1 1 115 115 GLN N N 15 126.14 0.05 . 1 . . . A 153 GLN N . 25002 1 stop_ save_