data_19881 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19881 _Entry.Title ; transport protein m ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-31 _Entry.Accession_date 2014-03-31 _Entry.Last_release_date 2015-04-13 _Entry.Original_release_date 2015-04-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _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 Yi Zhang . . . 19881 2 Yunfei Hu . . . 19881 3 Changwen Jin . . . 19881 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' . 19881 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 19881 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19881 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 370 19881 '15N chemical shifts' 90 19881 '1H chemical shifts' 628 19881 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 . . 2015-04-13 . original BMRB . 19881 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MN7 'BMRB Entry Tracking System' 19881 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19881 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25090434 _Citation.Full_citation . _Citation.Title ; Structural basis for TatA oligomerization: an NMR study of Escherichia coli TatA dimeric structure ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Plos One' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 8 _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 e103157 _Citation.Page_last e103157 _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 Yi Zhang . . . 19881 1 2 Yunfei Hu . . . 19881 1 3 Hongwei Li . . . 19881 1 4 Changwen Jin . . . 19881 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19881 _Assembly.ID 1 _Assembly.Name 'transport protein m' _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 entity 1 $entity A . yes native no no . . . 19881 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19881 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MGGISIWQLLIIAVIVVLLF GTKKLGSIGSDLGASIKGFK KAMSDDEPKQDKTSQDADFT AKTIADKQADTNQEQAKTED AKRHDKEQVLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5024.057 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19714 . entity . . . . . 100.00 100 100.00 100.00 3.13e-61 . . . . 19881 1 2 no PDB 2MN6 . "Solution Structure Of Dimeric Tata Of Twin-arginine Translocation System From E. Coli" . . . . . 100.00 100 100.00 100.00 3.13e-61 . . . . 19881 1 3 no PDB 2MN7 . "Solution Structure Of Monomeric Tata Of Twin-arginine Translocation System From E. Coli" . . . . . 100.00 97 100.00 100.00 3.60e-61 . . . . 19881 1 4 no DBJ BAB38189 . "Sec-independent protein translocase [Escherichia coli O157:H7 str. Sakai]" . . . . . 91.75 89 100.00 100.00 1.83e-54 . . . . 19881 1 5 no DBJ BAE77465 . "TatABCE protein translocation system subunit [Escherichia coli str. K12 substr. W3110]" . . . . . 91.75 89 100.00 100.00 1.83e-54 . . . . 19881 1 6 no DBJ BAG79648 . "Sec-independent protein translocase protein [Escherichia coli SE11]" . . . . . 91.75 89 100.00 100.00 1.83e-54 . . . . 19881 1 7 no DBJ BAI27909 . "TatABCE protein translocation system subunit TatA [Escherichia coli O26:H11 str. 11368]" . . . . . 91.75 89 100.00 100.00 1.83e-54 . . . . 19881 1 8 no DBJ BAI33032 . "TatABCE protein translocation system subunit TatA [Escherichia coli O103:H2 str. 12009]" . . . . . 91.75 89 100.00 100.00 1.83e-54 . . . . 19881 1 9 no EMBL CAA06724 . "TatA protein [Escherichia coli]" . . . . . 91.75 89 100.00 100.00 1.83e-54 . . . . 19881 1 10 no EMBL CAP78301 . "Sec-independent protein translocase protein tatA [Escherichia coli LF82]" . . . . . 91.75 89 100.00 100.00 1.83e-54 . . . . 19881 1 11 no EMBL CAQ34195 . "tatA, subunit of TatABCE protein export complex [Escherichia coli BL21(DE3)]" . . . . . 91.75 89 100.00 100.00 1.83e-54 . . . . 19881 1 12 no EMBL CAR00812 . "TatABCE protein translocation system subunit [Escherichia coli IAI1]" . . . . . 91.75 89 100.00 100.00 1.83e-54 . . . . 19881 1 13 no EMBL CAR05477 . "TatABCE protein translocation system subunit [Escherichia coli S88]" . . . . . 91.75 89 100.00 100.00 1.83e-54 . . . . 19881 1 14 no GB AAC19240 . "MttA1 [Escherichia coli]" . . . . . 91.75 103 100.00 100.00 1.74e-54 . . . . 19881 1 15 no GB AAC76839 . "TatABCE protein translocation system subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 91.75 89 100.00 100.00 1.83e-54 . . . . 19881 1 16 no GB AAG59032 . "twin arginine translocation protein; sec-independent protein export [Escherichia coli O157:H7 str. EDL933]" . . . . . 91.75 103 100.00 100.00 1.51e-54 . . . . 19881 1 17 no GB AAN45349 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 91.75 103 100.00 100.00 1.74e-54 . . . . 19881 1 18 no GB AAN83218 . "Sec-independent protein translocase protein tatA [Escherichia coli CFT073]" . . . . . 91.75 103 100.00 100.00 1.74e-54 . . . . 19881 1 19 no PIR D86071 . "hypothetical protein tatA [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" . . . . . 91.75 103 100.00 100.00 1.51e-54 . . . . 19881 1 20 no REF NP_312793 . "twin arginine translocase A [Escherichia coli O157:H7 str. Sakai]" . . . . . 91.75 89 100.00 100.00 1.83e-54 . . . . 19881 1 21 no REF NP_418280 . "TatABCE protein translocation system subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 91.75 89 100.00 100.00 1.83e-54 . . . . 19881 1 22 no REF NP_709642 . "twin-arginine translocation protein TatA [Shigella flexneri 2a str. 301]" . . . . . 91.75 103 100.00 100.00 1.74e-54 . . . . 19881 1 23 no REF WP_000508967 . "MULTISPECIES: protein translocase TatA [Escherichia]" . . . . . 91.75 89 98.88 98.88 9.20e-54 . . . . 19881 1 24 no REF WP_001234791 . "MULTISPECIES: protein translocase TatA [Shigella]" . . . . . 91.75 103 100.00 100.00 1.74e-54 . . . . 19881 1 25 no SP P69428 . "RecName: Full=Sec-independent protein translocase protein TatA" . . . . . 91.75 89 100.00 100.00 1.83e-54 . . . . 19881 1 26 no SP P69429 . "RecName: Full=Sec-independent protein translocase protein TatA" . . . . . 91.75 89 100.00 100.00 1.83e-54 . . . . 19881 1 27 no SP P69430 . "RecName: Full=Sec-independent protein translocase protein TatA" . . . . . 91.75 89 100.00 100.00 1.83e-54 . . . . 19881 1 28 no SP P69431 . "RecName: Full=Sec-independent protein translocase protein TatA" . . . . . 91.75 89 100.00 100.00 1.83e-54 . . . . 19881 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 19881 1 2 2 GLY . 19881 1 3 3 GLY . 19881 1 4 4 ILE . 19881 1 5 5 SER . 19881 1 6 6 ILE . 19881 1 7 7 TRP . 19881 1 8 8 GLN . 19881 1 9 9 LEU . 19881 1 10 10 LEU . 19881 1 11 11 ILE . 19881 1 12 12 ILE . 19881 1 13 13 ALA . 19881 1 14 14 VAL . 19881 1 15 15 ILE . 19881 1 16 16 VAL . 19881 1 17 17 VAL . 19881 1 18 18 LEU . 19881 1 19 19 LEU . 19881 1 20 20 PHE . 19881 1 21 21 GLY . 19881 1 22 22 THR . 19881 1 23 23 LYS . 19881 1 24 24 LYS . 19881 1 25 25 LEU . 19881 1 26 26 GLY . 19881 1 27 27 SER . 19881 1 28 28 ILE . 19881 1 29 29 GLY . 19881 1 30 30 SER . 19881 1 31 31 ASP . 19881 1 32 32 LEU . 19881 1 33 33 GLY . 19881 1 34 34 ALA . 19881 1 35 35 SER . 19881 1 36 36 ILE . 19881 1 37 37 LYS . 19881 1 38 38 GLY . 19881 1 39 39 PHE . 19881 1 40 40 LYS . 19881 1 41 41 LYS . 19881 1 42 42 ALA . 19881 1 43 43 MET . 19881 1 44 44 SER . 19881 1 45 45 ASP . 19881 1 46 46 ASP . 19881 1 47 47 GLU . 19881 1 48 48 PRO . 19881 1 49 49 LYS . 19881 1 50 50 GLN . 19881 1 51 51 ASP . 19881 1 52 52 LYS . 19881 1 53 53 THR . 19881 1 54 54 SER . 19881 1 55 55 GLN . 19881 1 56 56 ASP . 19881 1 57 57 ALA . 19881 1 58 58 ASP . 19881 1 59 59 PHE . 19881 1 60 60 THR . 19881 1 61 61 ALA . 19881 1 62 62 LYS . 19881 1 63 63 THR . 19881 1 64 64 ILE . 19881 1 65 65 ALA . 19881 1 66 66 ASP . 19881 1 67 67 LYS . 19881 1 68 68 GLN . 19881 1 69 69 ALA . 19881 1 70 70 ASP . 19881 1 71 71 THR . 19881 1 72 72 ASN . 19881 1 73 73 GLN . 19881 1 74 74 GLU . 19881 1 75 75 GLN . 19881 1 76 76 ALA . 19881 1 77 77 LYS . 19881 1 78 78 THR . 19881 1 79 79 GLU . 19881 1 80 80 ASP . 19881 1 81 81 ALA . 19881 1 82 82 LYS . 19881 1 83 83 ARG . 19881 1 84 84 HIS . 19881 1 85 85 ASP . 19881 1 86 86 LYS . 19881 1 87 87 GLU . 19881 1 88 88 GLN . 19881 1 89 89 VAL . 19881 1 90 90 LEU . 19881 1 91 91 GLU . 19881 1 92 92 HIS . 19881 1 93 93 HIS . 19881 1 94 94 HIS . 19881 1 95 95 HIS . 19881 1 96 96 HIS . 19881 1 97 97 HIS . 19881 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 19881 1 . GLY 2 2 19881 1 . GLY 3 3 19881 1 . ILE 4 4 19881 1 . SER 5 5 19881 1 . ILE 6 6 19881 1 . TRP 7 7 19881 1 . GLN 8 8 19881 1 . LEU 9 9 19881 1 . LEU 10 10 19881 1 . ILE 11 11 19881 1 . ILE 12 12 19881 1 . ALA 13 13 19881 1 . VAL 14 14 19881 1 . ILE 15 15 19881 1 . VAL 16 16 19881 1 . VAL 17 17 19881 1 . LEU 18 18 19881 1 . LEU 19 19 19881 1 . PHE 20 20 19881 1 . GLY 21 21 19881 1 . THR 22 22 19881 1 . LYS 23 23 19881 1 . LYS 24 24 19881 1 . LEU 25 25 19881 1 . GLY 26 26 19881 1 . SER 27 27 19881 1 . ILE 28 28 19881 1 . GLY 29 29 19881 1 . SER 30 30 19881 1 . ASP 31 31 19881 1 . LEU 32 32 19881 1 . GLY 33 33 19881 1 . ALA 34 34 19881 1 . SER 35 35 19881 1 . ILE 36 36 19881 1 . LYS 37 37 19881 1 . GLY 38 38 19881 1 . PHE 39 39 19881 1 . LYS 40 40 19881 1 . LYS 41 41 19881 1 . ALA 42 42 19881 1 . MET 43 43 19881 1 . SER 44 44 19881 1 . ASP 45 45 19881 1 . ASP 46 46 19881 1 . GLU 47 47 19881 1 . PRO 48 48 19881 1 . LYS 49 49 19881 1 . GLN 50 50 19881 1 . ASP 51 51 19881 1 . LYS 52 52 19881 1 . THR 53 53 19881 1 . SER 54 54 19881 1 . GLN 55 55 19881 1 . ASP 56 56 19881 1 . ALA 57 57 19881 1 . ASP 58 58 19881 1 . PHE 59 59 19881 1 . THR 60 60 19881 1 . ALA 61 61 19881 1 . LYS 62 62 19881 1 . THR 63 63 19881 1 . ILE 64 64 19881 1 . ALA 65 65 19881 1 . ASP 66 66 19881 1 . LYS 67 67 19881 1 . GLN 68 68 19881 1 . ALA 69 69 19881 1 . ASP 70 70 19881 1 . THR 71 71 19881 1 . ASN 72 72 19881 1 . GLN 73 73 19881 1 . GLU 74 74 19881 1 . GLN 75 75 19881 1 . ALA 76 76 19881 1 . LYS 77 77 19881 1 . THR 78 78 19881 1 . GLU 79 79 19881 1 . ASP 80 80 19881 1 . ALA 81 81 19881 1 . LYS 82 82 19881 1 . ARG 83 83 19881 1 . HIS 84 84 19881 1 . ASP 85 85 19881 1 . LYS 86 86 19881 1 . GLU 87 87 19881 1 . GLN 88 88 19881 1 . VAL 89 89 19881 1 . LEU 90 90 19881 1 . GLU 91 91 19881 1 . HIS 92 92 19881 1 . HIS 93 93 19881 1 . HIS 94 94 19881 1 . HIS 95 95 19881 1 . HIS 96 96 19881 1 . HIS 97 97 19881 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 19881 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 562 organism . 'Escherichia coli' 'E. Coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 19881 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 19881 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-21a . . . 19881 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19881 _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 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1 . . mM . . . . 19881 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19881 1 3 DPC 'natural abundance' . . . . . . 200 . . mM . . . . 19881 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19881 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19881 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19881 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 19881 1 pH 7 . pH 19881 1 pressure 1 . atm 19881 1 temperature 308 . K 19881 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19881 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19881 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19881 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19881 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19881 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19881 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19881 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19881 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19881 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19881 _Software.ID 4 _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' . . 19881 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19881 4 'structure solution' 19881 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 19881 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19881 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19881 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19881 _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 . 800 . . . 19881 1 2 spectrometer_2 Bruker Avance . 700 . . . 19881 1 3 spectrometer_3 Bruker Avance . 600 . . . 19881 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 19881 _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 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19881 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19881 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19881 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19881 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19881 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19881 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19881 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 19881 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19881 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19881 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19881 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 19881 _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 1H-13C NOESY' . . . 19881 1 4 '3D 1H-15N NOESY' . . . 19881 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.500 0.02 . 1 . . . A 1 MET HA . 19881 1 2 . 1 1 1 1 MET HB2 H 1 2.106 0.02 . 2 . . . A 1 MET HB2 . 19881 1 3 . 1 1 1 1 MET HB3 H 1 1.979 0.02 . 2 . . . A 1 MET HB3 . 19881 1 4 . 1 1 1 1 MET HG2 H 1 2.546 0.02 . 2 . . . A 1 MET HG2 . 19881 1 5 . 1 1 1 1 MET HG3 H 1 2.484 0.02 . 2 . . . A 1 MET HG3 . 19881 1 6 . 1 1 1 1 MET HE1 H 1 2.017 0.02 . 1 . . . A 1 MET HE1 . 19881 1 7 . 1 1 1 1 MET HE2 H 1 2.017 0.02 . 1 . . . A 1 MET HE2 . 19881 1 8 . 1 1 1 1 MET HE3 H 1 2.017 0.02 . 1 . . . A 1 MET HE3 . 19881 1 9 . 1 1 1 1 MET H H 1 8.640 0.02 . 1 . . . A 1 MET H1 . 19881 1 10 . 1 1 1 1 MET C C 13 176.010 0.30 . 1 . . . A 1 MET C . 19881 1 11 . 1 1 1 1 MET CA C 13 54.384 0.30 . 1 . . . A 1 MET CA . 19881 1 12 . 1 1 1 1 MET CB C 13 33.916 0.30 . 1 . . . A 1 MET CB . 19881 1 13 . 1 1 1 1 MET CG C 13 32.527 0.30 . 1 . . . A 1 MET CG . 19881 1 14 . 1 1 1 1 MET CE C 13 17.218 0.30 . 1 . . . A 1 MET CE . 19881 1 15 . 1 1 1 1 MET N N 15 128.140 0.30 . 1 . . . A 1 MET N . 19881 1 16 . 1 1 2 2 GLY H H 1 8.713 0.02 . 1 . . . A 2 GLY H . 19881 1 17 . 1 1 2 2 GLY HA2 H 1 3.867 0.02 . 2 . . . A 2 GLY HA2 . 19881 1 18 . 1 1 2 2 GLY HA3 H 1 3.867 0.02 . 2 . . . A 2 GLY HA3 . 19881 1 19 . 1 1 2 2 GLY C C 13 174.370 0.30 . 1 . . . A 2 GLY C . 19881 1 20 . 1 1 2 2 GLY CA C 13 46.411 0.30 . 1 . . . A 2 GLY CA . 19881 1 21 . 1 1 2 2 GLY N N 15 109.485 0.30 . 1 . . . A 2 GLY N . 19881 1 22 . 1 1 3 3 GLY H H 1 8.326 0.02 . 1 . . . A 3 GLY H . 19881 1 23 . 1 1 3 3 GLY HA2 H 1 3.963 0.02 . 2 . . . A 3 GLY HA2 . 19881 1 24 . 1 1 3 3 GLY HA3 H 1 3.885 0.02 . 2 . . . A 3 GLY HA3 . 19881 1 25 . 1 1 3 3 GLY C C 13 173.840 0.30 . 1 . . . A 3 GLY C . 19881 1 26 . 1 1 3 3 GLY CA C 13 45.276 0.30 . 1 . . . A 3 GLY CA . 19881 1 27 . 1 1 3 3 GLY N N 15 108.308 0.30 . 1 . . . A 3 GLY N . 19881 1 28 . 1 1 4 4 ILE H H 1 7.605 0.02 . 1 . . . A 4 ILE H . 19881 1 29 . 1 1 4 4 ILE HA H 1 4.330 0.02 . 1 . . . A 4 ILE HA . 19881 1 30 . 1 1 4 4 ILE HB H 1 1.896 0.02 . 1 . . . A 4 ILE HB . 19881 1 31 . 1 1 4 4 ILE HG12 H 1 1.537 0.02 . 9 . . . A 4 ILE HG12 . 19881 1 32 . 1 1 4 4 ILE HG13 H 1 1.208 0.02 . 9 . . . A 4 ILE HG13 . 19881 1 33 . 1 1 4 4 ILE HG21 H 1 0.908 0.02 . 2 . . . A 4 ILE HG21 . 19881 1 34 . 1 1 4 4 ILE HG22 H 1 0.908 0.02 . 2 . . . A 4 ILE HG22 . 19881 1 35 . 1 1 4 4 ILE HG23 H 1 0.908 0.02 . 2 . . . A 4 ILE HG23 . 19881 1 36 . 1 1 4 4 ILE HD11 H 1 0.804 0.02 . 1 . . . A 4 ILE HD11 . 19881 1 37 . 1 1 4 4 ILE HD12 H 1 0.804 0.02 . 1 . . . A 4 ILE HD12 . 19881 1 38 . 1 1 4 4 ILE HD13 H 1 0.804 0.02 . 1 . . . A 4 ILE HD13 . 19881 1 39 . 1 1 4 4 ILE CA C 13 60.610 0.30 . 1 . . . A 4 ILE CA . 19881 1 40 . 1 1 4 4 ILE CB C 13 39.100 0.30 . 1 . . . A 4 ILE CB . 19881 1 41 . 1 1 4 4 ILE CG1 C 13 27.836 0.30 . 1 . . . A 4 ILE CG1 . 19881 1 42 . 1 1 4 4 ILE CG2 C 13 17.490 0.30 . 1 . . . A 4 ILE CG2 . 19881 1 43 . 1 1 4 4 ILE CD1 C 13 13.481 0.30 . 1 . . . A 4 ILE CD1 . 19881 1 44 . 1 1 4 4 ILE N N 15 120.682 0.30 . 1 . . . A 4 ILE N . 19881 1 45 . 1 1 5 5 SER H H 1 8.167 0.02 . 1 . . . A 5 SER H . 19881 1 46 . 1 1 5 5 SER HA H 1 4.676 0.02 . 1 . . . A 5 SER HA . 19881 1 47 . 1 1 5 5 SER HB2 H 1 4.036 0.02 . 2 . . . A 5 SER HB2 . 19881 1 48 . 1 1 5 5 SER HB3 H 1 3.871 0.02 . 2 . . . A 5 SER HB3 . 19881 1 49 . 1 1 5 5 SER C C 13 175.720 0.30 . 1 . . . A 5 SER C . 19881 1 50 . 1 1 5 5 SER CA C 13 57.000 0.30 . 1 . . . A 5 SER CA . 19881 1 51 . 1 1 5 5 SER CB C 13 65.760 0.30 . 1 . . . A 5 SER CB . 19881 1 52 . 1 1 5 5 SER N N 15 121.157 0.30 . 1 . . . A 5 SER N . 19881 1 53 . 1 1 6 6 ILE H H 1 9.080 0.02 . 1 . . . A 6 ILE H . 19881 1 54 . 1 1 6 6 ILE HA H 1 3.771 0.02 . 1 . . . A 6 ILE HA . 19881 1 55 . 1 1 6 6 ILE HB H 1 1.827 0.02 . 1 . . . A 6 ILE HB . 19881 1 56 . 1 1 6 6 ILE HG12 H 1 1.372 0.02 . 9 . . . A 6 ILE HG12 . 19881 1 57 . 1 1 6 6 ILE HG13 H 1 1.134 0.02 . 9 . . . A 6 ILE HG13 . 19881 1 58 . 1 1 6 6 ILE HG21 H 1 0.594 0.02 . 2 . . . A 6 ILE HG21 . 19881 1 59 . 1 1 6 6 ILE HG22 H 1 0.594 0.02 . 2 . . . A 6 ILE HG22 . 19881 1 60 . 1 1 6 6 ILE HG23 H 1 0.594 0.02 . 2 . . . A 6 ILE HG23 . 19881 1 61 . 1 1 6 6 ILE HD11 H 1 0.803 0.02 . 1 . . . A 6 ILE HD11 . 19881 1 62 . 1 1 6 6 ILE HD12 H 1 0.803 0.02 . 1 . . . A 6 ILE HD12 . 19881 1 63 . 1 1 6 6 ILE HD13 H 1 0.803 0.02 . 1 . . . A 6 ILE HD13 . 19881 1 64 . 1 1 6 6 ILE C C 13 176.660 0.30 . 1 . . . A 6 ILE C . 19881 1 65 . 1 1 6 6 ILE CA C 13 63.890 0.30 . 1 . . . A 6 ILE CA . 19881 1 66 . 1 1 6 6 ILE CB C 13 37.173 0.30 . 1 . . . A 6 ILE CB . 19881 1 67 . 1 1 6 6 ILE CG1 C 13 28.913 0.30 . 1 . . . A 6 ILE CG1 . 19881 1 68 . 1 1 6 6 ILE CG2 C 13 17.477 0.30 . 1 . . . A 6 ILE CG2 . 19881 1 69 . 1 1 6 6 ILE CD1 C 13 13.228 0.30 . 1 . . . A 6 ILE CD1 . 19881 1 70 . 1 1 6 6 ILE N N 15 123.227 0.30 . 1 . . . A 6 ILE N . 19881 1 71 . 1 1 7 7 TRP H H 1 7.536 0.02 . 1 . . . A 7 TRP H . 19881 1 72 . 1 1 7 7 TRP HA H 1 4.365 0.02 . 1 . . . A 7 TRP HA . 19881 1 73 . 1 1 7 7 TRP HB2 H 1 3.256 0.02 . 2 . . . A 7 TRP HB2 . 19881 1 74 . 1 1 7 7 TRP HB3 H 1 3.256 0.02 . 2 . . . A 7 TRP HB3 . 19881 1 75 . 1 1 7 7 TRP HD1 H 1 7.510 0.02 . 1 . . . A 7 TRP HD1 . 19881 1 76 . 1 1 7 7 TRP HE1 H 1 10.709 0.02 . 1 . . . A 7 TRP HE1 . 19881 1 77 . 1 1 7 7 TRP HE3 H 1 7.415 0.02 . 1 . . . A 7 TRP HE3 . 19881 1 78 . 1 1 7 7 TRP HZ2 H 1 7.065 0.02 . 1 . . . A 7 TRP HZ2 . 19881 1 79 . 1 1 7 7 TRP HH2 H 1 6.861 0.02 . 1 . . . A 7 TRP HH2 . 19881 1 80 . 1 1 7 7 TRP C C 13 177.800 0.30 . 1 . . . A 7 TRP C . 19881 1 81 . 1 1 7 7 TRP CA C 13 59.411 0.30 . 1 . . . A 7 TRP CA . 19881 1 82 . 1 1 7 7 TRP CB C 13 29.263 0.30 . 1 . . . A 7 TRP CB . 19881 1 83 . 1 1 7 7 TRP CH2 C 13 113.712 0.30 . 1 . . . A 7 TRP CH2 . 19881 1 84 . 1 1 7 7 TRP N N 15 119.286 0.30 . 1 . . . A 7 TRP N . 19881 1 85 . 1 1 7 7 TRP NE1 N 15 131.456 0.30 . 1 . . . A 7 TRP NE1 . 19881 1 86 . 1 1 8 8 GLN H H 1 7.132 0.02 . 1 . . . A 8 GLN H . 19881 1 87 . 1 1 8 8 GLN HA H 1 3.732 0.02 . 1 . . . A 8 GLN HA . 19881 1 88 . 1 1 8 8 GLN HB2 H 1 2.283 0.02 . 2 . . . A 8 GLN HB2 . 19881 1 89 . 1 1 8 8 GLN HB3 H 1 2.283 0.02 . 2 . . . A 8 GLN HB3 . 19881 1 90 . 1 1 8 8 GLN HG2 H 1 1.786 0.02 . 2 . . . A 8 GLN HG2 . 19881 1 91 . 1 1 8 8 GLN HG3 H 1 1.738 0.02 . 2 . . . A 8 GLN HG3 . 19881 1 92 . 1 1 8 8 GLN HE21 H 1 6.764 0.02 . 2 . . . A 8 GLN HE21 . 19881 1 93 . 1 1 8 8 GLN HE22 H 1 6.557 0.02 . 2 . . . A 8 GLN HE22 . 19881 1 94 . 1 1 8 8 GLN C C 13 177.765 0.30 . 1 . . . A 8 GLN C . 19881 1 95 . 1 1 8 8 GLN CA C 13 59.367 0.30 . 1 . . . A 8 GLN CA . 19881 1 96 . 1 1 8 8 GLN CB C 13 28.094 0.30 . 1 . . . A 8 GLN CB . 19881 1 97 . 1 1 8 8 GLN CG C 13 34.190 0.30 . 1 . . . A 8 GLN CG . 19881 1 98 . 1 1 8 8 GLN N N 15 117.821 0.30 . 1 . . . A 8 GLN N . 19881 1 99 . 1 1 8 8 GLN NE2 N 15 108.642 0.30 . 1 . . . A 8 GLN NE2 . 19881 1 100 . 1 1 9 9 LEU H H 1 7.680 0.02 . 1 . . . A 9 LEU H . 19881 1 101 . 1 1 9 9 LEU HA H 1 3.916 0.02 . 1 . . . A 9 LEU HA . 19881 1 102 . 1 1 9 9 LEU HB2 H 1 1.811 0.02 . 2 . . . A 9 LEU HB2 . 19881 1 103 . 1 1 9 9 LEU HB3 H 1 1.545 0.02 . 2 . . . A 9 LEU HB3 . 19881 1 104 . 1 1 9 9 LEU HG H 1 1.705 0.02 . 1 . . . A 9 LEU HG . 19881 1 105 . 1 1 9 9 LEU HD11 H 1 0.843 0.02 . 2 . . . A 9 LEU HD11 . 19881 1 106 . 1 1 9 9 LEU HD12 H 1 0.843 0.02 . 2 . . . A 9 LEU HD12 . 19881 1 107 . 1 1 9 9 LEU HD13 H 1 0.843 0.02 . 2 . . . A 9 LEU HD13 . 19881 1 108 . 1 1 9 9 LEU HD21 H 1 0.803 0.02 . 2 . . . A 9 LEU HD21 . 19881 1 109 . 1 1 9 9 LEU HD22 H 1 0.803 0.02 . 2 . . . A 9 LEU HD22 . 19881 1 110 . 1 1 9 9 LEU HD23 H 1 0.803 0.02 . 2 . . . A 9 LEU HD23 . 19881 1 111 . 1 1 9 9 LEU C C 13 178.096 0.30 . 1 . . . A 9 LEU C . 19881 1 112 . 1 1 9 9 LEU CA C 13 58.057 0.30 . 1 . . . A 9 LEU CA . 19881 1 113 . 1 1 9 9 LEU CB C 13 41.803 0.30 . 1 . . . A 9 LEU CB . 19881 1 114 . 1 1 9 9 LEU CG C 13 26.866 0.30 . 1 . . . A 9 LEU CG . 19881 1 115 . 1 1 9 9 LEU CD1 C 13 25.207 0.30 . 2 . . . A 9 LEU CD1 . 19881 1 116 . 1 1 9 9 LEU CD2 C 13 24.103 0.30 . 2 . . . A 9 LEU CD2 . 19881 1 117 . 1 1 9 9 LEU N N 15 118.175 0.30 . 1 . . . A 9 LEU N . 19881 1 118 . 1 1 10 10 LEU H H 1 8.182 0.02 . 1 . . . A 10 LEU H . 19881 1 119 . 1 1 10 10 LEU HA H 1 3.954 0.02 . 1 . . . A 10 LEU HA . 19881 1 120 . 1 1 10 10 LEU HB2 H 1 1.841 0.02 . 2 . . . A 10 LEU HB2 . 19881 1 121 . 1 1 10 10 LEU HB3 H 1 1.703 0.02 . 2 . . . A 10 LEU HB3 . 19881 1 122 . 1 1 10 10 LEU HG H 1 1.764 0.02 . 1 . . . A 10 LEU HG . 19881 1 123 . 1 1 10 10 LEU HD11 H 1 0.835 0.02 . 2 . . . A 10 LEU HD11 . 19881 1 124 . 1 1 10 10 LEU HD12 H 1 0.835 0.02 . 2 . . . A 10 LEU HD12 . 19881 1 125 . 1 1 10 10 LEU HD13 H 1 0.835 0.02 . 2 . . . A 10 LEU HD13 . 19881 1 126 . 1 1 10 10 LEU HD21 H 1 0.845 0.02 . 2 . . . A 10 LEU HD21 . 19881 1 127 . 1 1 10 10 LEU HD22 H 1 0.845 0.02 . 2 . . . A 10 LEU HD22 . 19881 1 128 . 1 1 10 10 LEU HD23 H 1 0.845 0.02 . 2 . . . A 10 LEU HD23 . 19881 1 129 . 1 1 10 10 LEU C C 13 177.930 0.30 . 1 . . . A 10 LEU C . 19881 1 130 . 1 1 10 10 LEU CA C 13 58.215 0.30 . 1 . . . A 10 LEU CA . 19881 1 131 . 1 1 10 10 LEU CB C 13 41.770 0.30 . 1 . . . A 10 LEU CB . 19881 1 132 . 1 1 10 10 LEU CG C 13 27.128 0.30 . 1 . . . A 10 LEU CG . 19881 1 133 . 1 1 10 10 LEU CD1 C 13 25.068 0.30 . 2 . . . A 10 LEU CD1 . 19881 1 134 . 1 1 10 10 LEU CD2 C 13 24.114 0.30 . 2 . . . A 10 LEU CD2 . 19881 1 135 . 1 1 10 10 LEU N N 15 118.370 0.30 . 1 . . . A 10 LEU N . 19881 1 136 . 1 1 11 11 ILE H H 1 7.676 0.02 . 1 . . . A 11 ILE H . 19881 1 137 . 1 1 11 11 ILE HA H 1 3.616 0.02 . 1 . . . A 11 ILE HA . 19881 1 138 . 1 1 11 11 ILE HB H 1 2.056 0.02 . 1 . . . A 11 ILE HB . 19881 1 139 . 1 1 11 11 ILE HG12 H 1 1.931 0.02 . 9 . . . A 11 ILE HG12 . 19881 1 140 . 1 1 11 11 ILE HG13 H 1 1.190 0.02 . 9 . . . A 11 ILE HG13 . 19881 1 141 . 1 1 11 11 ILE HG21 H 1 0.910 0.02 . 2 . . . A 11 ILE HG21 . 19881 1 142 . 1 1 11 11 ILE HG22 H 1 0.910 0.02 . 2 . . . A 11 ILE HG22 . 19881 1 143 . 1 1 11 11 ILE HG23 H 1 0.910 0.02 . 2 . . . A 11 ILE HG23 . 19881 1 144 . 1 1 11 11 ILE HD11 H 1 0.908 0.02 . 1 . . . A 11 ILE HD11 . 19881 1 145 . 1 1 11 11 ILE HD12 H 1 0.908 0.02 . 1 . . . A 11 ILE HD12 . 19881 1 146 . 1 1 11 11 ILE HD13 H 1 0.908 0.02 . 1 . . . A 11 ILE HD13 . 19881 1 147 . 1 1 11 11 ILE C C 13 177.370 0.30 . 1 . . . A 11 ILE C . 19881 1 148 . 1 1 11 11 ILE CA C 13 65.245 0.30 . 1 . . . A 11 ILE CA . 19881 1 149 . 1 1 11 11 ILE CB C 13 37.290 0.30 . 1 . . . A 11 ILE CB . 19881 1 150 . 1 1 11 11 ILE CG1 C 13 29.490 0.30 . 1 . . . A 11 ILE CG1 . 19881 1 151 . 1 1 11 11 ILE CG2 C 13 17.700 0.30 . 1 . . . A 11 ILE CG2 . 19881 1 152 . 1 1 11 11 ILE CD1 C 13 13.232 0.30 . 1 . . . A 11 ILE CD1 . 19881 1 153 . 1 1 11 11 ILE N N 15 117.907 0.30 . 1 . . . A 11 ILE N . 19881 1 154 . 1 1 12 12 ILE H H 1 7.756 0.02 . 1 . . . A 12 ILE H . 19881 1 155 . 1 1 12 12 ILE HA H 1 3.525 0.02 . 1 . . . A 12 ILE HA . 19881 1 156 . 1 1 12 12 ILE HB H 1 2.007 0.02 . 1 . . . A 12 ILE HB . 19881 1 157 . 1 1 12 12 ILE HG12 H 1 1.819 0.02 . 9 . . . A 12 ILE HG12 . 19881 1 158 . 1 1 12 12 ILE HG13 H 1 1.022 0.02 . 9 . . . A 12 ILE HG13 . 19881 1 159 . 1 1 12 12 ILE HG21 H 1 0.810 0.02 . 2 . . . A 12 ILE HG21 . 19881 1 160 . 1 1 12 12 ILE HG22 H 1 0.810 0.02 . 2 . . . A 12 ILE HG22 . 19881 1 161 . 1 1 12 12 ILE HG23 H 1 0.810 0.02 . 2 . . . A 12 ILE HG23 . 19881 1 162 . 1 1 12 12 ILE HD11 H 1 0.766 0.02 . 1 . . . A 12 ILE HD11 . 19881 1 163 . 1 1 12 12 ILE HD12 H 1 0.766 0.02 . 1 . . . A 12 ILE HD12 . 19881 1 164 . 1 1 12 12 ILE HD13 H 1 0.766 0.02 . 1 . . . A 12 ILE HD13 . 19881 1 165 . 1 1 12 12 ILE C C 13 176.908 0.30 . 1 . . . A 12 ILE C . 19881 1 166 . 1 1 12 12 ILE CA C 13 65.463 0.30 . 1 . . . A 12 ILE CA . 19881 1 167 . 1 1 12 12 ILE CB C 13 37.450 0.30 . 1 . . . A 12 ILE CB . 19881 1 168 . 1 1 12 12 ILE CG1 C 13 29.328 0.30 . 1 . . . A 12 ILE CG1 . 19881 1 169 . 1 1 12 12 ILE CG2 C 13 17.245 0.30 . 1 . . . A 12 ILE CG2 . 19881 1 170 . 1 1 12 12 ILE CD1 C 13 12.989 0.30 . 1 . . . A 12 ILE CD1 . 19881 1 171 . 1 1 12 12 ILE N N 15 118.851 0.30 . 1 . . . A 12 ILE N . 19881 1 172 . 1 1 13 13 ALA H H 1 8.367 0.02 . 1 . . . A 13 ALA H . 19881 1 173 . 1 1 13 13 ALA HA H 1 3.822 0.02 . 1 . . . A 13 ALA HA . 19881 1 174 . 1 1 13 13 ALA HB1 H 1 1.408 0.02 . 1 . . . A 13 ALA HB1 . 19881 1 175 . 1 1 13 13 ALA HB2 H 1 1.408 0.02 . 1 . . . A 13 ALA HB2 . 19881 1 176 . 1 1 13 13 ALA HB3 H 1 1.408 0.02 . 1 . . . A 13 ALA HB3 . 19881 1 177 . 1 1 13 13 ALA C C 13 178.605 0.30 . 1 . . . A 13 ALA C . 19881 1 178 . 1 1 13 13 ALA CA C 13 55.753 0.30 . 1 . . . A 13 ALA CA . 19881 1 179 . 1 1 13 13 ALA CB C 13 17.799 0.30 . 1 . . . A 13 ALA CB . 19881 1 180 . 1 1 13 13 ALA N N 15 121.114 0.30 . 1 . . . A 13 ALA N . 19881 1 181 . 1 1 14 14 VAL H H 1 8.164 0.02 . 1 . . . A 14 VAL H . 19881 1 182 . 1 1 14 14 VAL HA H 1 3.418 0.02 . 1 . . . A 14 VAL HA . 19881 1 183 . 1 1 14 14 VAL HB H 1 2.267 0.02 . 1 . . . A 14 VAL HB . 19881 1 184 . 1 1 14 14 VAL HG11 H 1 0.852 0.02 . 2 . . . A 14 VAL HG11 . 19881 1 185 . 1 1 14 14 VAL HG12 H 1 0.852 0.02 . 2 . . . A 14 VAL HG12 . 19881 1 186 . 1 1 14 14 VAL HG13 H 1 0.852 0.02 . 2 . . . A 14 VAL HG13 . 19881 1 187 . 1 1 14 14 VAL HG21 H 1 1.022 0.02 . 2 . . . A 14 VAL HG21 . 19881 1 188 . 1 1 14 14 VAL HG22 H 1 1.022 0.02 . 2 . . . A 14 VAL HG22 . 19881 1 189 . 1 1 14 14 VAL HG23 H 1 1.022 0.02 . 2 . . . A 14 VAL HG23 . 19881 1 190 . 1 1 14 14 VAL C C 13 177.236 0.30 . 1 . . . A 14 VAL C . 19881 1 191 . 1 1 14 14 VAL CA C 13 67.304 0.30 . 1 . . . A 14 VAL CA . 19881 1 192 . 1 1 14 14 VAL CB C 13 31.360 0.30 . 1 . . . A 14 VAL CB . 19881 1 193 . 1 1 14 14 VAL CG1 C 13 21.492 0.30 . 2 . . . A 14 VAL CG1 . 19881 1 194 . 1 1 14 14 VAL CG2 C 13 23.353 0.30 . 2 . . . A 14 VAL CG2 . 19881 1 195 . 1 1 14 14 VAL N N 15 116.560 0.30 . 1 . . . A 14 VAL N . 19881 1 196 . 1 1 15 15 ILE H H 1 8.045 0.02 . 1 . . . A 15 ILE H . 19881 1 197 . 1 1 15 15 ILE HA H 1 3.517 0.02 . 1 . . . A 15 ILE HA . 19881 1 198 . 1 1 15 15 ILE HB H 1 2.085 0.02 . 1 . . . A 15 ILE HB . 19881 1 199 . 1 1 15 15 ILE HG12 H 1 1.885 0.02 . 9 . . . A 15 ILE HG12 . 19881 1 200 . 1 1 15 15 ILE HG13 H 1 1.004 0.02 . 9 . . . A 15 ILE HG13 . 19881 1 201 . 1 1 15 15 ILE HG21 H 1 0.822 0.02 . 2 . . . A 15 ILE HG21 . 19881 1 202 . 1 1 15 15 ILE HG22 H 1 0.822 0.02 . 2 . . . A 15 ILE HG22 . 19881 1 203 . 1 1 15 15 ILE HG23 H 1 0.822 0.02 . 2 . . . A 15 ILE HG23 . 19881 1 204 . 1 1 15 15 ILE HD11 H 1 0.755 0.02 . 1 . . . A 15 ILE HD11 . 19881 1 205 . 1 1 15 15 ILE HD12 H 1 0.755 0.02 . 1 . . . A 15 ILE HD12 . 19881 1 206 . 1 1 15 15 ILE HD13 H 1 0.755 0.02 . 1 . . . A 15 ILE HD13 . 19881 1 207 . 1 1 15 15 ILE C C 13 177.490 0.30 . 1 . . . A 15 ILE C . 19881 1 208 . 1 1 15 15 ILE CA C 13 65.828 0.30 . 1 . . . A 15 ILE CA . 19881 1 209 . 1 1 15 15 ILE CB C 13 37.364 0.30 . 1 . . . A 15 ILE CB . 19881 1 210 . 1 1 15 15 ILE CG1 C 13 29.363 0.30 . 1 . . . A 15 ILE CG1 . 19881 1 211 . 1 1 15 15 ILE CG2 C 13 17.256 0.30 . 1 . . . A 15 ILE CG2 . 19881 1 212 . 1 1 15 15 ILE CD1 C 13 13.198 0.30 . 1 . . . A 15 ILE CD1 . 19881 1 213 . 1 1 15 15 ILE N N 15 119.573 0.30 . 1 . . . A 15 ILE N . 19881 1 214 . 1 1 16 16 VAL H H 1 8.481 0.02 . 1 . . . A 16 VAL H . 19881 1 215 . 1 1 16 16 VAL HA H 1 3.597 0.02 . 1 . . . A 16 VAL HA . 19881 1 216 . 1 1 16 16 VAL HB H 1 2.303 0.02 . 1 . . . A 16 VAL HB . 19881 1 217 . 1 1 16 16 VAL HG11 H 1 0.947 0.02 . 2 . . . A 16 VAL HG11 . 19881 1 218 . 1 1 16 16 VAL HG12 H 1 0.947 0.02 . 2 . . . A 16 VAL HG12 . 19881 1 219 . 1 1 16 16 VAL HG13 H 1 0.947 0.02 . 2 . . . A 16 VAL HG13 . 19881 1 220 . 1 1 16 16 VAL HG21 H 1 1.049 0.02 . 2 . . . A 16 VAL HG21 . 19881 1 221 . 1 1 16 16 VAL HG22 H 1 1.049 0.02 . 2 . . . A 16 VAL HG22 . 19881 1 222 . 1 1 16 16 VAL HG23 H 1 1.049 0.02 . 2 . . . A 16 VAL HG23 . 19881 1 223 . 1 1 16 16 VAL C C 13 177.993 0.30 . 1 . . . A 16 VAL C . 19881 1 224 . 1 1 16 16 VAL CA C 13 67.680 0.30 . 1 . . . A 16 VAL CA . 19881 1 225 . 1 1 16 16 VAL CB C 13 31.240 0.30 . 1 . . . A 16 VAL CB . 19881 1 226 . 1 1 16 16 VAL CG1 C 13 22.044 0.30 . 2 . . . A 16 VAL CG1 . 19881 1 227 . 1 1 16 16 VAL CG2 C 13 23.431 0.30 . 2 . . . A 16 VAL CG2 . 19881 1 228 . 1 1 16 16 VAL N N 15 118.777 0.30 . 1 . . . A 16 VAL N . 19881 1 229 . 1 1 17 17 VAL H H 1 8.329 0.02 . 1 . . . A 17 VAL H . 19881 1 230 . 1 1 17 17 VAL HA H 1 3.602 0.02 . 1 . . . A 17 VAL HA . 19881 1 231 . 1 1 17 17 VAL HB H 1 2.230 0.02 . 1 . . . A 17 VAL HB . 19881 1 232 . 1 1 17 17 VAL HG11 H 1 0.920 0.02 . 2 . . . A 17 VAL HG11 . 19881 1 233 . 1 1 17 17 VAL HG12 H 1 0.920 0.02 . 2 . . . A 17 VAL HG12 . 19881 1 234 . 1 1 17 17 VAL HG13 H 1 0.920 0.02 . 2 . . . A 17 VAL HG13 . 19881 1 235 . 1 1 17 17 VAL HG21 H 1 1.037 0.02 . 2 . . . A 17 VAL HG21 . 19881 1 236 . 1 1 17 17 VAL HG22 H 1 1.037 0.02 . 2 . . . A 17 VAL HG22 . 19881 1 237 . 1 1 17 17 VAL HG23 H 1 1.037 0.02 . 2 . . . A 17 VAL HG23 . 19881 1 238 . 1 1 17 17 VAL C C 13 178.199 0.30 . 1 . . . A 17 VAL C . 19881 1 239 . 1 1 17 17 VAL CA C 13 67.426 0.30 . 1 . . . A 17 VAL CA . 19881 1 240 . 1 1 17 17 VAL CB C 13 31.187 0.30 . 1 . . . A 17 VAL CB . 19881 1 241 . 1 1 17 17 VAL CG1 C 13 21.989 0.30 . 2 . . . A 17 VAL CG1 . 19881 1 242 . 1 1 17 17 VAL CG2 C 13 23.479 0.30 . 2 . . . A 17 VAL CG2 . 19881 1 243 . 1 1 17 17 VAL N N 15 120.072 0.30 . 1 . . . A 17 VAL N . 19881 1 244 . 1 1 18 18 LEU H H 1 8.413 0.02 . 1 . . . A 18 LEU H . 19881 1 245 . 1 1 18 18 LEU HA H 1 4.012 0.02 . 1 . . . A 18 LEU HA . 19881 1 246 . 1 1 18 18 LEU HB2 H 1 1.977 0.02 . 2 . . . A 18 LEU HB2 . 19881 1 247 . 1 1 18 18 LEU HB3 H 1 1.391 0.02 . 2 . . . A 18 LEU HB3 . 19881 1 248 . 1 1 18 18 LEU HG H 1 1.915 0.02 . 1 . . . A 18 LEU HG . 19881 1 249 . 1 1 18 18 LEU HD11 H 1 0.795 0.02 . 2 . . . A 18 LEU HD11 . 19881 1 250 . 1 1 18 18 LEU HD12 H 1 0.795 0.02 . 2 . . . A 18 LEU HD12 . 19881 1 251 . 1 1 18 18 LEU HD13 H 1 0.795 0.02 . 2 . . . A 18 LEU HD13 . 19881 1 252 . 1 1 18 18 LEU HD21 H 1 0.810 0.02 . 2 . . . A 18 LEU HD21 . 19881 1 253 . 1 1 18 18 LEU HD22 H 1 0.810 0.02 . 2 . . . A 18 LEU HD22 . 19881 1 254 . 1 1 18 18 LEU HD23 H 1 0.810 0.02 . 2 . . . A 18 LEU HD23 . 19881 1 255 . 1 1 18 18 LEU C C 13 178.985 0.30 . 1 . . . A 18 LEU C . 19881 1 256 . 1 1 18 18 LEU CA C 13 58.130 0.30 . 1 . . . A 18 LEU CA . 19881 1 257 . 1 1 18 18 LEU CB C 13 42.045 0.30 . 1 . . . A 18 LEU CB . 19881 1 258 . 1 1 18 18 LEU CG C 13 26.892 0.30 . 1 . . . A 18 LEU CG . 19881 1 259 . 1 1 18 18 LEU CD1 C 13 25.840 0.30 . 2 . . . A 18 LEU CD1 . 19881 1 260 . 1 1 18 18 LEU CD2 C 13 23.329 0.30 . 2 . . . A 18 LEU CD2 . 19881 1 261 . 1 1 18 18 LEU N N 15 120.167 0.30 . 1 . . . A 18 LEU N . 19881 1 262 . 1 1 19 19 LEU H H 1 8.420 0.02 . 1 . . . A 19 LEU H . 19881 1 263 . 1 1 19 19 LEU HA H 1 3.984 0.02 . 1 . . . A 19 LEU HA . 19881 1 264 . 1 1 19 19 LEU HB2 H 1 1.723 0.02 . 2 . . . A 19 LEU HB2 . 19881 1 265 . 1 1 19 19 LEU HB3 H 1 1.020 0.02 . 2 . . . A 19 LEU HB3 . 19881 1 266 . 1 1 19 19 LEU HG H 1 1.693 0.02 . 1 . . . A 19 LEU HG . 19881 1 267 . 1 1 19 19 LEU HD11 H 1 0.744 0.02 . 2 . . . A 19 LEU HD11 . 19881 1 268 . 1 1 19 19 LEU HD12 H 1 0.744 0.02 . 2 . . . A 19 LEU HD12 . 19881 1 269 . 1 1 19 19 LEU HD13 H 1 0.744 0.02 . 2 . . . A 19 LEU HD13 . 19881 1 270 . 1 1 19 19 LEU HD21 H 1 0.695 0.02 . 2 . . . A 19 LEU HD21 . 19881 1 271 . 1 1 19 19 LEU HD22 H 1 0.695 0.02 . 2 . . . A 19 LEU HD22 . 19881 1 272 . 1 1 19 19 LEU HD23 H 1 0.695 0.02 . 2 . . . A 19 LEU HD23 . 19881 1 273 . 1 1 19 19 LEU C C 13 178.510 0.30 . 1 . . . A 19 LEU C . 19881 1 274 . 1 1 19 19 LEU CA C 13 57.831 0.30 . 1 . . . A 19 LEU CA . 19881 1 275 . 1 1 19 19 LEU CB C 13 42.406 0.30 . 1 . . . A 19 LEU CB . 19881 1 276 . 1 1 19 19 LEU CG C 13 26.779 0.30 . 1 . . . A 19 LEU CG . 19881 1 277 . 1 1 19 19 LEU CD1 C 13 25.623 0.30 . 2 . . . A 19 LEU CD1 . 19881 1 278 . 1 1 19 19 LEU CD2 C 13 23.490 0.30 . 2 . . . A 19 LEU CD2 . 19881 1 279 . 1 1 19 19 LEU N N 15 118.603 0.30 . 1 . . . A 19 LEU N . 19881 1 280 . 1 1 20 20 PHE H H 1 8.451 0.02 . 1 . . . A 20 PHE H . 19881 1 281 . 1 1 20 20 PHE HA H 1 4.508 0.02 . 1 . . . A 20 PHE HA . 19881 1 282 . 1 1 20 20 PHE HB2 H 1 3.032 0.02 . 2 . . . A 20 PHE HB2 . 19881 1 283 . 1 1 20 20 PHE HB3 H 1 3.177 0.02 . 2 . . . A 20 PHE HB3 . 19881 1 284 . 1 1 20 20 PHE HD1 H 1 7.351 0.02 . 1 . . . A 20 PHE HD1 . 19881 1 285 . 1 1 20 20 PHE HD2 H 1 7.141 0.02 . 1 . . . A 20 PHE HD2 . 19881 1 286 . 1 1 20 20 PHE HE1 H 1 7.203 0.02 . 1 . . . A 20 PHE HE1 . 19881 1 287 . 1 1 20 20 PHE HZ H 1 7.427 0.02 . 1 . . . A 20 PHE HZ . 19881 1 288 . 1 1 20 20 PHE C C 13 178.062 0.30 . 1 . . . A 20 PHE C . 19881 1 289 . 1 1 20 20 PHE CA C 13 60.202 0.30 . 1 . . . A 20 PHE CA . 19881 1 290 . 1 1 20 20 PHE CB C 13 40.126 0.30 . 1 . . . A 20 PHE CB . 19881 1 291 . 1 1 20 20 PHE N N 15 116.154 0.30 . 1 . . . A 20 PHE N . 19881 1 292 . 1 1 21 21 GLY H H 1 8.754 0.02 . 1 . . . A 21 GLY H . 19881 1 293 . 1 1 21 21 GLY HA2 H 1 4.006 0.02 . 2 . . . A 21 GLY HA2 . 19881 1 294 . 1 1 21 21 GLY HA3 H 1 4.006 0.02 . 2 . . . A 21 GLY HA3 . 19881 1 295 . 1 1 21 21 GLY C C 13 173.997 0.30 . 1 . . . A 21 GLY C . 19881 1 296 . 1 1 21 21 GLY CA C 13 46.189 0.30 . 1 . . . A 21 GLY CA . 19881 1 297 . 1 1 21 21 GLY N N 15 108.705 0.30 . 1 . . . A 21 GLY N . 19881 1 298 . 1 1 22 22 THR H H 1 8.190 0.02 . 1 . . . A 22 THR H . 19881 1 299 . 1 1 22 22 THR HA H 1 4.080 0.02 . 1 . . . A 22 THR HA . 19881 1 300 . 1 1 22 22 THR HB H 1 4.265 0.02 . 1 . . . A 22 THR HB . 19881 1 301 . 1 1 22 22 THR HG21 H 1 1.269 0.02 . 1 . . . A 22 THR HG21 . 19881 1 302 . 1 1 22 22 THR HG22 H 1 1.269 0.02 . 1 . . . A 22 THR HG22 . 19881 1 303 . 1 1 22 22 THR HG23 H 1 1.269 0.02 . 1 . . . A 22 THR HG23 . 19881 1 304 . 1 1 22 22 THR CA C 13 64.722 0.30 . 1 . . . A 22 THR CA . 19881 1 305 . 1 1 22 22 THR CB C 13 69.150 0.30 . 1 . . . A 22 THR CB . 19881 1 306 . 1 1 22 22 THR CG2 C 13 22.453 0.30 . 1 . . . A 22 THR CG2 . 19881 1 307 . 1 1 22 22 THR N N 15 111.556 0.30 . 1 . . . A 22 THR N . 19881 1 308 . 1 1 23 23 LYS H H 1 8.165 0.02 . 1 . . . A 23 LYS H . 19881 1 309 . 1 1 23 23 LYS HA H 1 4.175 0.02 . 1 . . . A 23 LYS HA . 19881 1 310 . 1 1 23 23 LYS HB2 H 1 1.917 0.02 . 2 . . . A 23 LYS HB2 . 19881 1 311 . 1 1 23 23 LYS HB3 H 1 1.917 0.02 . 2 . . . A 23 LYS HB3 . 19881 1 312 . 1 1 23 23 LYS HG2 H 1 1.460 0.02 . 2 . . . A 23 LYS HG2 . 19881 1 313 . 1 1 23 23 LYS HG3 H 1 1.460 0.02 . 2 . . . A 23 LYS HG3 . 19881 1 314 . 1 1 23 23 LYS HD2 H 1 1.691 0.02 . 2 . . . A 23 LYS HD2 . 19881 1 315 . 1 1 23 23 LYS HD3 H 1 1.691 0.02 . 2 . . . A 23 LYS HD3 . 19881 1 316 . 1 1 23 23 LYS HE2 H 1 2.956 0.02 . 2 . . . A 23 LYS HE2 . 19881 1 317 . 1 1 23 23 LYS HE3 H 1 2.956 0.02 . 2 . . . A 23 LYS HE3 . 19881 1 318 . 1 1 23 23 LYS C C 13 178.622 0.30 . 1 . . . A 23 LYS C . 19881 1 319 . 1 1 23 23 LYS CA C 13 58.378 0.30 . 1 . . . A 23 LYS CA . 19881 1 320 . 1 1 23 23 LYS CB C 13 31.639 0.30 . 1 . . . A 23 LYS CB . 19881 1 321 . 1 1 23 23 LYS CG C 13 24.970 0.30 . 1 . . . A 23 LYS CG . 19881 1 322 . 1 1 23 23 LYS CD C 13 29.100 0.30 . 1 . . . A 23 LYS CD . 19881 1 323 . 1 1 23 23 LYS CE C 13 42.160 0.30 . 1 . . . A 23 LYS CE . 19881 1 324 . 1 1 23 23 LYS N N 15 121.733 0.30 . 1 . . . A 23 LYS N . 19881 1 325 . 1 1 24 24 LYS H H 1 8.144 0.02 . 1 . . . A 24 LYS H . 19881 1 326 . 1 1 24 24 LYS HA H 1 4.246 0.02 . 1 . . . A 24 LYS HA . 19881 1 327 . 1 1 24 24 LYS HB2 H 1 1.829 0.02 . 2 . . . A 24 LYS HB2 . 19881 1 328 . 1 1 24 24 LYS HB3 H 1 1.829 0.02 . 2 . . . A 24 LYS HB3 . 19881 1 329 . 1 1 24 24 LYS HG2 H 1 1.416 0.02 . 2 . . . A 24 LYS HG2 . 19881 1 330 . 1 1 24 24 LYS HG3 H 1 1.416 0.02 . 2 . . . A 24 LYS HG3 . 19881 1 331 . 1 1 24 24 LYS HD2 H 1 1.694 0.02 . 2 . . . A 24 LYS HD2 . 19881 1 332 . 1 1 24 24 LYS HD3 H 1 1.694 0.02 . 2 . . . A 24 LYS HD3 . 19881 1 333 . 1 1 24 24 LYS HE2 H 1 2.882 0.02 . 2 . . . A 24 LYS HE2 . 19881 1 334 . 1 1 24 24 LYS HE3 H 1 2.882 0.02 . 2 . . . A 24 LYS HE3 . 19881 1 335 . 1 1 24 24 LYS C C 13 177.705 0.30 . 1 . . . A 24 LYS C . 19881 1 336 . 1 1 24 24 LYS CA C 13 57.026 0.30 . 1 . . . A 24 LYS CA . 19881 1 337 . 1 1 24 24 LYS CB C 13 32.471 0.30 . 1 . . . A 24 LYS CB . 19881 1 338 . 1 1 24 24 LYS CG C 13 24.907 0.30 . 1 . . . A 24 LYS CG . 19881 1 339 . 1 1 24 24 LYS CD C 13 28.528 0.30 . 1 . . . A 24 LYS CD . 19881 1 340 . 1 1 24 24 LYS CE C 13 42.138 0.30 . 1 . . . A 24 LYS CE . 19881 1 341 . 1 1 24 24 LYS N N 15 118.854 0.30 . 1 . . . A 24 LYS N . 19881 1 342 . 1 1 25 25 LEU H H 1 7.820 0.02 . 1 . . . A 25 LEU H . 19881 1 343 . 1 1 25 25 LEU HA H 1 4.148 0.02 . 1 . . . A 25 LEU HA . 19881 1 344 . 1 1 25 25 LEU HB2 H 1 1.725 0.02 . 2 . . . A 25 LEU HB2 . 19881 1 345 . 1 1 25 25 LEU HB3 H 1 1.556 0.02 . 2 . . . A 25 LEU HB3 . 19881 1 346 . 1 1 25 25 LEU HG H 1 1.728 0.02 . 1 . . . A 25 LEU HG . 19881 1 347 . 1 1 25 25 LEU HD11 H 1 0.863 0.02 . 2 . . . A 25 LEU HD11 . 19881 1 348 . 1 1 25 25 LEU HD12 H 1 0.863 0.02 . 2 . . . A 25 LEU HD12 . 19881 1 349 . 1 1 25 25 LEU HD13 H 1 0.863 0.02 . 2 . . . A 25 LEU HD13 . 19881 1 350 . 1 1 25 25 LEU HD21 H 1 0.804 0.02 . 2 . . . A 25 LEU HD21 . 19881 1 351 . 1 1 25 25 LEU HD22 H 1 0.804 0.02 . 2 . . . A 25 LEU HD22 . 19881 1 352 . 1 1 25 25 LEU HD23 H 1 0.804 0.02 . 2 . . . A 25 LEU HD23 . 19881 1 353 . 1 1 25 25 LEU C C 13 177.815 0.30 . 1 . . . A 25 LEU C . 19881 1 354 . 1 1 25 25 LEU CA C 13 56.511 0.30 . 1 . . . A 25 LEU CA . 19881 1 355 . 1 1 25 25 LEU CB C 13 41.955 0.30 . 1 . . . A 25 LEU CB . 19881 1 356 . 1 1 25 25 LEU CG C 13 27.031 0.30 . 1 . . . A 25 LEU CG . 19881 1 357 . 1 1 25 25 LEU CD1 C 13 25.658 0.30 . 2 . . . A 25 LEU CD1 . 19881 1 358 . 1 1 25 25 LEU CD2 C 13 23.631 0.30 . 2 . . . A 25 LEU CD2 . 19881 1 359 . 1 1 25 25 LEU N N 15 118.583 0.30 . 1 . . . A 25 LEU N . 19881 1 360 . 1 1 26 26 GLY H H 1 8.146 0.02 . 1 . . . A 26 GLY H . 19881 1 361 . 1 1 26 26 GLY HA2 H 1 3.854 0.02 . 2 . . . A 26 GLY HA2 . 19881 1 362 . 1 1 26 26 GLY HA3 H 1 3.973 0.02 . 2 . . . A 26 GLY HA3 . 19881 1 363 . 1 1 26 26 GLY C C 13 175.013 0.30 . 1 . . . A 26 GLY C . 19881 1 364 . 1 1 26 26 GLY CA C 13 46.414 0.30 . 1 . . . A 26 GLY CA . 19881 1 365 . 1 1 26 26 GLY N N 15 106.160 0.30 . 1 . . . A 26 GLY N . 19881 1 366 . 1 1 27 27 SER H H 1 8.046 0.02 . 1 . . . A 27 SER H . 19881 1 367 . 1 1 27 27 SER HA H 1 4.441 0.02 . 1 . . . A 27 SER HA . 19881 1 368 . 1 1 27 27 SER HB2 H 1 3.937 0.02 . 2 . . . A 27 SER HB2 . 19881 1 369 . 1 1 27 27 SER HB3 H 1 3.937 0.02 . 2 . . . A 27 SER HB3 . 19881 1 370 . 1 1 27 27 SER C C 13 175.407 0.30 . 1 . . . A 27 SER C . 19881 1 371 . 1 1 27 27 SER CA C 13 59.665 0.30 . 1 . . . A 27 SER CA . 19881 1 372 . 1 1 27 27 SER CB C 13 63.672 0.30 . 1 . . . A 27 SER CB . 19881 1 373 . 1 1 27 27 SER N N 15 116.361 0.30 . 1 . . . A 27 SER N . 19881 1 374 . 1 1 28 28 ILE H H 1 7.847 0.02 . 1 . . . A 28 ILE H . 19881 1 375 . 1 1 28 28 ILE HA H 1 4.090 0.02 . 1 . . . A 28 ILE HA . 19881 1 376 . 1 1 28 28 ILE HB H 1 1.962 0.02 . 1 . . . A 28 ILE HB . 19881 1 377 . 1 1 28 28 ILE HG12 H 1 1.599 0.02 . 9 . . . A 28 ILE HG12 . 19881 1 378 . 1 1 28 28 ILE HG13 H 1 1.228 0.02 . 9 . . . A 28 ILE HG13 . 19881 1 379 . 1 1 28 28 ILE HG21 H 1 0.914 0.02 . 2 . . . A 28 ILE HG21 . 19881 1 380 . 1 1 28 28 ILE HG22 H 1 0.914 0.02 . 2 . . . A 28 ILE HG22 . 19881 1 381 . 1 1 28 28 ILE HG23 H 1 0.914 0.02 . 2 . . . A 28 ILE HG23 . 19881 1 382 . 1 1 28 28 ILE HD11 H 1 0.828 0.02 . 1 . . . A 28 ILE HD11 . 19881 1 383 . 1 1 28 28 ILE HD12 H 1 0.828 0.02 . 1 . . . A 28 ILE HD12 . 19881 1 384 . 1 1 28 28 ILE HD13 H 1 0.828 0.02 . 1 . . . A 28 ILE HD13 . 19881 1 385 . 1 1 28 28 ILE C C 13 176.733 0.30 . 1 . . . A 28 ILE C . 19881 1 386 . 1 1 28 28 ILE CA C 13 62.883 0.30 . 1 . . . A 28 ILE CA . 19881 1 387 . 1 1 28 28 ILE CB C 13 38.348 0.30 . 1 . . . A 28 ILE CB . 19881 1 388 . 1 1 28 28 ILE CG1 C 13 28.042 0.30 . 1 . . . A 28 ILE CG1 . 19881 1 389 . 1 1 28 28 ILE CG2 C 13 17.730 0.30 . 1 . . . A 28 ILE CG2 . 19881 1 390 . 1 1 28 28 ILE CD1 C 13 13.810 0.30 . 1 . . . A 28 ILE CD1 . 19881 1 391 . 1 1 28 28 ILE N N 15 121.108 0.30 . 1 . . . A 28 ILE N . 19881 1 392 . 1 1 29 29 GLY H H 1 8.329 0.02 . 1 . . . A 29 GLY H . 19881 1 393 . 1 1 29 29 GLY HA2 H 1 3.847 0.02 . 2 . . . A 29 GLY HA2 . 19881 1 394 . 1 1 29 29 GLY HA3 H 1 3.847 0.02 . 2 . . . A 29 GLY HA3 . 19881 1 395 . 1 1 29 29 GLY C C 13 174.534 0.30 . 1 . . . A 29 GLY C . 19881 1 396 . 1 1 29 29 GLY CA C 13 46.278 0.30 . 1 . . . A 29 GLY CA . 19881 1 397 . 1 1 29 29 GLY N N 15 109.304 0.30 . 1 . . . A 29 GLY N . 19881 1 398 . 1 1 30 30 SER H H 1 8.026 0.02 . 1 . . . A 30 SER H . 19881 1 399 . 1 1 30 30 SER HA H 1 4.301 0.02 . 1 . . . A 30 SER HA . 19881 1 400 . 1 1 30 30 SER HB2 H 1 3.913 0.02 . 2 . . . A 30 SER HB2 . 19881 1 401 . 1 1 30 30 SER HB3 H 1 3.913 0.02 . 2 . . . A 30 SER HB3 . 19881 1 402 . 1 1 30 30 SER C C 13 175.445 0.30 . 1 . . . A 30 SER C . 19881 1 403 . 1 1 30 30 SER CA C 13 60.378 0.30 . 1 . . . A 30 SER CA . 19881 1 404 . 1 1 30 30 SER CB C 13 63.575 0.30 . 1 . . . A 30 SER CB . 19881 1 405 . 1 1 30 30 SER N N 15 115.814 0.30 . 1 . . . A 30 SER N . 19881 1 406 . 1 1 31 31 ASP H H 1 8.261 0.02 . 1 . . . A 31 ASP H . 19881 1 407 . 1 1 31 31 ASP HA H 1 4.648 0.02 . 1 . . . A 31 ASP HA . 19881 1 408 . 1 1 31 31 ASP HB2 H 1 2.663 0.02 . 2 . . . A 31 ASP HB2 . 19881 1 409 . 1 1 31 31 ASP HB3 H 1 2.750 0.02 . 2 . . . A 31 ASP HB3 . 19881 1 410 . 1 1 31 31 ASP C C 13 177.501 0.30 . 1 . . . A 31 ASP C . 19881 1 411 . 1 1 31 31 ASP CA C 13 55.138 0.30 . 1 . . . A 31 ASP CA . 19881 1 412 . 1 1 31 31 ASP CB C 13 40.847 0.30 . 1 . . . A 31 ASP CB . 19881 1 413 . 1 1 31 31 ASP N N 15 122.351 0.30 . 1 . . . A 31 ASP N . 19881 1 414 . 1 1 32 32 LEU H H 1 8.400 0.02 . 1 . . . A 32 LEU H . 19881 1 415 . 1 1 32 32 LEU HA H 1 4.146 0.02 . 1 . . . A 32 LEU HA . 19881 1 416 . 1 1 32 32 LEU HB2 H 1 1.789 0.02 . 2 . . . A 32 LEU HB2 . 19881 1 417 . 1 1 32 32 LEU HB3 H 1 1.615 0.02 . 2 . . . A 32 LEU HB3 . 19881 1 418 . 1 1 32 32 LEU HG H 1 1.750 0.02 . 1 . . . A 32 LEU HG . 19881 1 419 . 1 1 32 32 LEU HD11 H 1 0.913 0.02 . 2 . . . A 32 LEU HD11 . 19881 1 420 . 1 1 32 32 LEU HD12 H 1 0.913 0.02 . 2 . . . A 32 LEU HD12 . 19881 1 421 . 1 1 32 32 LEU HD13 H 1 0.913 0.02 . 2 . . . A 32 LEU HD13 . 19881 1 422 . 1 1 32 32 LEU HD21 H 1 0.875 0.02 . 2 . . . A 32 LEU HD21 . 19881 1 423 . 1 1 32 32 LEU HD22 H 1 0.875 0.02 . 2 . . . A 32 LEU HD22 . 19881 1 424 . 1 1 32 32 LEU HD23 H 1 0.875 0.02 . 2 . . . A 32 LEU HD23 . 19881 1 425 . 1 1 32 32 LEU C C 13 178.653 0.30 . 1 . . . A 32 LEU C . 19881 1 426 . 1 1 32 32 LEU CA C 13 57.539 0.30 . 1 . . . A 32 LEU CA . 19881 1 427 . 1 1 32 32 LEU CB C 13 42.175 0.30 . 1 . . . A 32 LEU CB . 19881 1 428 . 1 1 32 32 LEU CG C 13 27.083 0.30 . 1 . . . A 32 LEU CG . 19881 1 429 . 1 1 32 32 LEU CD1 C 13 25.113 0.30 . 2 . . . A 32 LEU CD1 . 19881 1 430 . 1 1 32 32 LEU CD2 C 13 24.512 0.30 . 2 . . . A 32 LEU CD2 . 19881 1 431 . 1 1 32 32 LEU N N 15 123.303 0.30 . 1 . . . A 32 LEU N . 19881 1 432 . 1 1 33 33 GLY H H 1 8.582 0.02 . 1 . . . A 33 GLY H . 19881 1 433 . 1 1 33 33 GLY HA2 H 1 3.983 0.02 . 2 . . . A 33 GLY HA2 . 19881 1 434 . 1 1 33 33 GLY HA3 H 1 3.686 0.02 . 2 . . . A 33 GLY HA3 . 19881 1 435 . 1 1 33 33 GLY C C 13 175.646 0.30 . 1 . . . A 33 GLY C . 19881 1 436 . 1 1 33 33 GLY CA C 13 47.342 0.30 . 1 . . . A 33 GLY CA . 19881 1 437 . 1 1 33 33 GLY N N 15 107.221 0.30 . 1 . . . A 33 GLY N . 19881 1 438 . 1 1 34 34 ALA H H 1 8.012 0.02 . 1 . . . A 34 ALA H . 19881 1 439 . 1 1 34 34 ALA HA H 1 4.165 0.02 . 1 . . . A 34 ALA HA . 19881 1 440 . 1 1 34 34 ALA HB1 H 1 1.465 0.02 . 1 . . . A 34 ALA HB1 . 19881 1 441 . 1 1 34 34 ALA HB2 H 1 1.465 0.02 . 1 . . . A 34 ALA HB2 . 19881 1 442 . 1 1 34 34 ALA HB3 H 1 1.465 0.02 . 1 . . . A 34 ALA HB3 . 19881 1 443 . 1 1 34 34 ALA C C 13 180.302 0.30 . 1 . . . A 34 ALA C . 19881 1 444 . 1 1 34 34 ALA CA C 13 54.422 0.30 . 1 . . . A 34 ALA CA . 19881 1 445 . 1 1 34 34 ALA CB C 13 18.645 0.30 . 1 . . . A 34 ALA CB . 19881 1 446 . 1 1 34 34 ALA N N 15 123.643 0.30 . 1 . . . A 34 ALA N . 19881 1 447 . 1 1 35 35 SER H H 1 8.021 0.02 . 1 . . . A 35 SER H . 19881 1 448 . 1 1 35 35 SER HA H 1 4.342 0.02 . 1 . . . A 35 SER HA . 19881 1 449 . 1 1 35 35 SER HB2 H 1 3.827 0.02 . 2 . . . A 35 SER HB2 . 19881 1 450 . 1 1 35 35 SER HB3 H 1 4.041 0.02 . 2 . . . A 35 SER HB3 . 19881 1 451 . 1 1 35 35 SER C C 13 176.430 0.30 . 1 . . . A 35 SER C . 19881 1 452 . 1 1 35 35 SER CA C 13 61.552 0.30 . 1 . . . A 35 SER CA . 19881 1 453 . 1 1 35 35 SER CB C 13 63.404 0.30 . 1 . . . A 35 SER CB . 19881 1 454 . 1 1 35 35 SER N N 15 115.942 0.30 . 1 . . . A 35 SER N . 19881 1 455 . 1 1 36 36 ILE H H 1 8.170 0.02 . 1 . . . A 36 ILE H . 19881 1 456 . 1 1 36 36 ILE HA H 1 3.855 0.02 . 1 . . . A 36 ILE HA . 19881 1 457 . 1 1 36 36 ILE HB H 1 1.997 0.02 . 1 . . . A 36 ILE HB . 19881 1 458 . 1 1 36 36 ILE HG12 H 1 1.701 0.02 . 9 . . . A 36 ILE HG12 . 19881 1 459 . 1 1 36 36 ILE HG13 H 1 1.168 0.02 . 9 . . . A 36 ILE HG13 . 19881 1 460 . 1 1 36 36 ILE HG21 H 1 0.943 0.02 . 2 . . . A 36 ILE HG21 . 19881 1 461 . 1 1 36 36 ILE HG22 H 1 0.943 0.02 . 2 . . . A 36 ILE HG22 . 19881 1 462 . 1 1 36 36 ILE HG23 H 1 0.943 0.02 . 2 . . . A 36 ILE HG23 . 19881 1 463 . 1 1 36 36 ILE HD11 H 1 0.838 0.02 . 1 . . . A 36 ILE HD11 . 19881 1 464 . 1 1 36 36 ILE HD12 H 1 0.838 0.02 . 1 . . . A 36 ILE HD12 . 19881 1 465 . 1 1 36 36 ILE HD13 H 1 0.838 0.02 . 1 . . . A 36 ILE HD13 . 19881 1 466 . 1 1 36 36 ILE C C 13 177.310 0.30 . 1 . . . A 36 ILE C . 19881 1 467 . 1 1 36 36 ILE CA C 13 64.467 0.30 . 1 . . . A 36 ILE CA . 19881 1 468 . 1 1 36 36 ILE CB C 13 37.790 0.30 . 1 . . . A 36 ILE CB . 19881 1 469 . 1 1 36 36 ILE CG1 C 13 29.019 0.30 . 1 . . . A 36 ILE CG1 . 19881 1 470 . 1 1 36 36 ILE CG2 C 13 17.785 0.30 . 1 . . . A 36 ILE CG2 . 19881 1 471 . 1 1 36 36 ILE CD1 C 13 13.493 0.30 . 1 . . . A 36 ILE CD1 . 19881 1 472 . 1 1 36 36 ILE N N 15 121.829 0.30 . 1 . . . A 36 ILE N . 19881 1 473 . 1 1 37 37 LYS H H 1 8.039 0.02 . 1 . . . A 37 LYS H . 19881 1 474 . 1 1 37 37 LYS HA H 1 3.998 0.02 . 1 . . . A 37 LYS HA . 19881 1 475 . 1 1 37 37 LYS HB2 H 1 1.878 0.02 . 2 . . . A 37 LYS HB2 . 19881 1 476 . 1 1 37 37 LYS HB3 H 1 1.878 0.02 . 2 . . . A 37 LYS HB3 . 19881 1 477 . 1 1 37 37 LYS HG2 H 1 1.441 0.02 . 2 . . . A 37 LYS HG2 . 19881 1 478 . 1 1 37 37 LYS HG3 H 1 1.567 0.02 . 2 . . . A 37 LYS HG3 . 19881 1 479 . 1 1 37 37 LYS HD2 H 1 1.688 0.02 . 2 . . . A 37 LYS HD2 . 19881 1 480 . 1 1 37 37 LYS HD3 H 1 1.688 0.02 . 2 . . . A 37 LYS HD3 . 19881 1 481 . 1 1 37 37 LYS HE2 H 1 2.938 0.02 . 2 . . . A 37 LYS HE2 . 19881 1 482 . 1 1 37 37 LYS HE3 H 1 2.938 0.02 . 2 . . . A 37 LYS HE3 . 19881 1 483 . 1 1 37 37 LYS C C 13 178.932 0.30 . 1 . . . A 37 LYS C . 19881 1 484 . 1 1 37 37 LYS CA C 13 59.665 0.30 . 1 . . . A 37 LYS CA . 19881 1 485 . 1 1 37 37 LYS CB C 13 32.400 0.30 . 1 . . . A 37 LYS CB . 19881 1 486 . 1 1 37 37 LYS CG C 13 25.272 0.30 . 1 . . . A 37 LYS CG . 19881 1 487 . 1 1 37 37 LYS CD C 13 29.290 0.30 . 1 . . . A 37 LYS CD . 19881 1 488 . 1 1 37 37 LYS CE C 13 42.155 0.30 . 1 . . . A 37 LYS CE . 19881 1 489 . 1 1 37 37 LYS N N 15 120.804 0.30 . 1 . . . A 37 LYS N . 19881 1 490 . 1 1 38 38 GLY H H 1 8.145 0.02 . 1 . . . A 38 GLY H . 19881 1 491 . 1 1 38 38 GLY HA2 H 1 3.904 0.02 . 2 . . . A 38 GLY HA2 . 19881 1 492 . 1 1 38 38 GLY HA3 H 1 3.857 0.02 . 2 . . . A 38 GLY HA3 . 19881 1 493 . 1 1 38 38 GLY C C 13 176.690 0.30 . 1 . . . A 38 GLY C . 19881 1 494 . 1 1 38 38 GLY CA C 13 46.426 0.30 . 1 . . . A 38 GLY CA . 19881 1 495 . 1 1 38 38 GLY N N 15 107.479 0.30 . 1 . . . A 38 GLY N . 19881 1 496 . 1 1 39 39 PHE H H 1 8.078 0.02 . 1 . . . A 39 PHE H . 19881 1 497 . 1 1 39 39 PHE HA H 1 4.389 0.02 . 1 . . . A 39 PHE HA . 19881 1 498 . 1 1 39 39 PHE HB2 H 1 3.190 0.02 . 2 . . . A 39 PHE HB2 . 19881 1 499 . 1 1 39 39 PHE HB3 H 1 3.190 0.02 . 2 . . . A 39 PHE HB3 . 19881 1 500 . 1 1 39 39 PHE HD1 H 1 7.179 0.02 . 1 . . . A 39 PHE HD1 . 19881 1 501 . 1 1 39 39 PHE HE1 H 1 7.219 0.02 . 1 . . . A 39 PHE HE1 . 19881 1 502 . 1 1 39 39 PHE C C 13 176.506 0.30 . 1 . . . A 39 PHE C . 19881 1 503 . 1 1 39 39 PHE CA C 13 60.235 0.30 . 1 . . . A 39 PHE CA . 19881 1 504 . 1 1 39 39 PHE CB C 13 39.354 0.30 . 1 . . . A 39 PHE CB . 19881 1 505 . 1 1 39 39 PHE CD1 C 13 143.164 0.30 . 1 . . . A 39 PHE CD1 . 19881 1 506 . 1 1 39 39 PHE N N 15 122.726 0.30 . 1 . . . A 39 PHE N . 19881 1 507 . 1 1 40 40 LYS H H 1 8.192 0.02 . 1 . . . A 40 LYS H . 19881 1 508 . 1 1 40 40 LYS HA H 1 3.925 0.02 . 1 . . . A 40 LYS HA . 19881 1 509 . 1 1 40 40 LYS HB2 H 1 1.928 0.02 . 2 . . . A 40 LYS HB2 . 19881 1 510 . 1 1 40 40 LYS HB3 H 1 1.839 0.02 . 2 . . . A 40 LYS HB3 . 19881 1 511 . 1 1 40 40 LYS HG2 H 1 1.560 0.02 . 2 . . . A 40 LYS HG2 . 19881 1 512 . 1 1 40 40 LYS HG3 H 1 1.412 0.02 . 2 . . . A 40 LYS HG3 . 19881 1 513 . 1 1 40 40 LYS HD2 H 1 1.681 0.02 . 2 . . . A 40 LYS HD2 . 19881 1 514 . 1 1 40 40 LYS HD3 H 1 1.681 0.02 . 2 . . . A 40 LYS HD3 . 19881 1 515 . 1 1 40 40 LYS HE2 H 1 2.926 0.02 . 2 . . . A 40 LYS HE2 . 19881 1 516 . 1 1 40 40 LYS HE3 H 1 2.926 0.02 . 2 . . . A 40 LYS HE3 . 19881 1 517 . 1 1 40 40 LYS C C 13 178.275 0.30 . 1 . . . A 40 LYS C . 19881 1 518 . 1 1 40 40 LYS CA C 13 58.940 0.30 . 1 . . . A 40 LYS CA . 19881 1 519 . 1 1 40 40 LYS CB C 13 32.523 0.30 . 1 . . . A 40 LYS CB . 19881 1 520 . 1 1 40 40 LYS CG C 13 25.303 0.30 . 1 . . . A 40 LYS CG . 19881 1 521 . 1 1 40 40 LYS CD C 13 29.590 0.30 . 1 . . . A 40 LYS CD . 19881 1 522 . 1 1 40 40 LYS CE C 13 41.990 0.30 . 1 . . . A 40 LYS CE . 19881 1 523 . 1 1 40 40 LYS N N 15 119.668 0.30 . 1 . . . A 40 LYS N . 19881 1 524 . 1 1 41 41 LYS H H 1 7.997 0.02 . 1 . . . A 41 LYS H . 19881 1 525 . 1 1 41 41 LYS HA H 1 4.109 0.02 . 1 . . . A 41 LYS HA . 19881 1 526 . 1 1 41 41 LYS HB2 H 1 1.873 0.02 . 2 . . . A 41 LYS HB2 . 19881 1 527 . 1 1 41 41 LYS HB3 H 1 1.873 0.02 . 2 . . . A 41 LYS HB3 . 19881 1 528 . 1 1 41 41 LYS HG2 H 1 1.511 0.02 . 2 . . . A 41 LYS HG2 . 19881 1 529 . 1 1 41 41 LYS HG3 H 1 1.455 0.02 . 2 . . . A 41 LYS HG3 . 19881 1 530 . 1 1 41 41 LYS HD2 H 1 1.680 0.02 . 2 . . . A 41 LYS HD2 . 19881 1 531 . 1 1 41 41 LYS HD3 H 1 1.680 0.02 . 2 . . . A 41 LYS HD3 . 19881 1 532 . 1 1 41 41 LYS HE2 H 1 2.976 0.02 . 2 . . . A 41 LYS HE2 . 19881 1 533 . 1 1 41 41 LYS HE3 H 1 2.976 0.02 . 2 . . . A 41 LYS HE3 . 19881 1 534 . 1 1 41 41 LYS C C 13 177.740 0.30 . 1 . . . A 41 LYS C . 19881 1 535 . 1 1 41 41 LYS CA C 13 58.105 0.30 . 1 . . . A 41 LYS CA . 19881 1 536 . 1 1 41 41 LYS CB C 13 32.516 0.30 . 1 . . . A 41 LYS CB . 19881 1 537 . 1 1 41 41 LYS CG C 13 24.807 0.30 . 1 . . . A 41 LYS CG . 19881 1 538 . 1 1 41 41 LYS CD C 13 29.100 0.30 . 1 . . . A 41 LYS CD . 19881 1 539 . 1 1 41 41 LYS CE C 13 42.100 0.30 . 1 . . . A 41 LYS CE . 19881 1 540 . 1 1 41 41 LYS N N 15 120.878 0.30 . 1 . . . A 41 LYS N . 19881 1 541 . 1 1 42 42 ALA H H 1 7.900 0.02 . 1 . . . A 42 ALA H . 19881 1 542 . 1 1 42 42 ALA HA H 1 4.213 0.02 . 1 . . . A 42 ALA HA . 19881 1 543 . 1 1 42 42 ALA HB1 H 1 1.434 0.02 . 1 . . . A 42 ALA HB1 . 19881 1 544 . 1 1 42 42 ALA HB2 H 1 1.434 0.02 . 1 . . . A 42 ALA HB2 . 19881 1 545 . 1 1 42 42 ALA HB3 H 1 1.434 0.02 . 1 . . . A 42 ALA HB3 . 19881 1 546 . 1 1 42 42 ALA C C 13 178.450 0.30 . 1 . . . A 42 ALA C . 19881 1 547 . 1 1 42 42 ALA CA C 13 53.586 0.30 . 1 . . . A 42 ALA CA . 19881 1 548 . 1 1 42 42 ALA CB C 13 18.919 0.30 . 1 . . . A 42 ALA CB . 19881 1 549 . 1 1 42 42 ALA N N 15 122.719 0.30 . 1 . . . A 42 ALA N . 19881 1 550 . 1 1 43 43 MET H H 1 7.757 0.02 . 1 . . . A 43 MET H . 19881 1 551 . 1 1 43 43 MET HA H 1 4.415 0.02 . 1 . . . A 43 MET HA . 19881 1 552 . 1 1 43 43 MET HB2 H 1 2.057 0.02 . 2 . . . A 43 MET HB2 . 19881 1 553 . 1 1 43 43 MET HB3 H 1 1.955 0.02 . 2 . . . A 43 MET HB3 . 19881 1 554 . 1 1 43 43 MET HG2 H 1 2.418 0.02 . 2 . . . A 43 MET HG2 . 19881 1 555 . 1 1 43 43 MET HG3 H 1 2.347 0.02 . 2 . . . A 43 MET HG3 . 19881 1 556 . 1 1 43 43 MET HE1 H 1 1.994 0.02 . 1 . . . A 43 MET HE1 . 19881 1 557 . 1 1 43 43 MET HE2 H 1 1.994 0.02 . 1 . . . A 43 MET HE2 . 19881 1 558 . 1 1 43 43 MET HE3 H 1 1.994 0.02 . 1 . . . A 43 MET HE3 . 19881 1 559 . 1 1 43 43 MET C C 13 176.270 0.30 . 1 . . . A 43 MET C . 19881 1 560 . 1 1 43 43 MET CA C 13 55.488 0.30 . 1 . . . A 43 MET CA . 19881 1 561 . 1 1 43 43 MET CB C 13 33.279 0.30 . 1 . . . A 43 MET CB . 19881 1 562 . 1 1 43 43 MET CG C 13 32.530 0.30 . 1 . . . A 43 MET CG . 19881 1 563 . 1 1 43 43 MET CE C 13 17.400 0.30 . 1 . . . A 43 MET CE . 19881 1 564 . 1 1 43 43 MET N N 15 115.999 0.30 . 1 . . . A 43 MET N . 19881 1 565 . 1 1 44 44 SER H H 1 7.821 0.02 . 1 . . . A 44 SER H . 19881 1 566 . 1 1 44 44 SER HA H 1 4.463 0.02 . 1 . . . A 44 SER HA . 19881 1 567 . 1 1 44 44 SER HB2 H 1 3.873 0.02 . 2 . . . A 44 SER HB2 . 19881 1 568 . 1 1 44 44 SER HB3 H 1 3.873 0.02 . 2 . . . A 44 SER HB3 . 19881 1 569 . 1 1 44 44 SER C C 13 173.950 0.30 . 1 . . . A 44 SER C . 19881 1 570 . 1 1 44 44 SER CA C 13 58.536 0.30 . 1 . . . A 44 SER CA . 19881 1 571 . 1 1 44 44 SER CB C 13 64.380 0.30 . 1 . . . A 44 SER CB . 19881 1 572 . 1 1 44 44 SER N N 15 115.396 0.30 . 1 . . . A 44 SER N . 19881 1 573 . 1 1 45 45 ASP H H 1 8.293 0.02 . 1 . . . A 45 ASP H . 19881 1 574 . 1 1 45 45 ASP HA H 1 4.576 0.02 . 1 . . . A 45 ASP HA . 19881 1 575 . 1 1 45 45 ASP HB2 H 1 2.700 0.02 . 2 . . . A 45 ASP HB2 . 19881 1 576 . 1 1 45 45 ASP HB3 H 1 2.588 0.02 . 2 . . . A 45 ASP HB3 . 19881 1 577 . 1 1 45 45 ASP C C 13 175.990 0.30 . 1 . . . A 45 ASP C . 19881 1 578 . 1 1 45 45 ASP CA C 13 54.264 0.30 . 1 . . . A 45 ASP CA . 19881 1 579 . 1 1 45 45 ASP CB C 13 41.410 0.30 . 1 . . . A 45 ASP CB . 19881 1 580 . 1 1 45 45 ASP N N 15 123.208 0.30 . 1 . . . A 45 ASP N . 19881 1 581 . 1 1 46 46 ASP H H 1 8.239 0.02 . 1 . . . A 46 ASP H . 19881 1 582 . 1 1 46 46 ASP HA H 1 4.542 0.02 . 1 . . . A 46 ASP HA . 19881 1 583 . 1 1 46 46 ASP HB2 H 1 2.620 0.02 . 2 . . . A 46 ASP HB2 . 19881 1 584 . 1 1 46 46 ASP HB3 H 1 2.552 0.02 . 2 . . . A 46 ASP HB3 . 19881 1 585 . 1 1 46 46 ASP C C 13 176.060 0.30 . 1 . . . A 46 ASP C . 19881 1 586 . 1 1 46 46 ASP CA C 13 54.250 0.30 . 1 . . . A 46 ASP CA . 19881 1 587 . 1 1 46 46 ASP CB C 13 41.500 0.30 . 1 . . . A 46 ASP CB . 19881 1 588 . 1 1 46 46 ASP N N 15 121.430 0.30 . 1 . . . A 46 ASP N . 19881 1 589 . 1 1 47 47 GLU H H 1 8.163 0.02 . 1 . . . A 47 GLU H . 19881 1 590 . 1 1 47 47 GLU HA H 1 4.528 0.02 . 1 . . . A 47 GLU HA . 19881 1 591 . 1 1 47 47 GLU HB2 H 1 1.991 0.02 . 2 . . . A 47 GLU HB2 . 19881 1 592 . 1 1 47 47 GLU HB3 H 1 1.899 0.02 . 2 . . . A 47 GLU HB3 . 19881 1 593 . 1 1 47 47 GLU HG2 H 1 2.236 0.02 . 2 . . . A 47 GLU HG2 . 19881 1 594 . 1 1 47 47 GLU HG3 H 1 2.270 0.02 . 2 . . . A 47 GLU HG3 . 19881 1 595 . 1 1 47 47 GLU CA C 13 54.651 0.30 . 1 . . . A 47 GLU CA . 19881 1 596 . 1 1 47 47 GLU CB C 13 29.910 0.30 . 1 . . . A 47 GLU CB . 19881 1 597 . 1 1 47 47 GLU CG C 13 36.072 0.30 . 1 . . . A 47 GLU CG . 19881 1 598 . 1 1 47 47 GLU N N 15 123.031 0.30 . 1 . . . A 47 GLU N . 19881 1 599 . 1 1 48 48 PRO HA H 1 4.400 0.02 . 1 . . . A 48 PRO HA . 19881 1 600 . 1 1 48 48 PRO HB2 H 1 2.262 0.02 . 2 . . . A 48 PRO HB2 . 19881 1 601 . 1 1 48 48 PRO HB3 H 1 1.860 0.02 . 2 . . . A 48 PRO HB3 . 19881 1 602 . 1 1 48 48 PRO HG2 H 1 2.016 0.02 . 2 . . . A 48 PRO HG2 . 19881 1 603 . 1 1 48 48 PRO HG3 H 1 1.976 0.02 . 2 . . . A 48 PRO HG3 . 19881 1 604 . 1 1 48 48 PRO HD2 H 1 3.785 0.02 . 2 . . . A 48 PRO HD2 . 19881 1 605 . 1 1 48 48 PRO HD3 H 1 3.648 0.02 . 2 . . . A 48 PRO HD3 . 19881 1 606 . 1 1 48 48 PRO C C 13 176.940 0.30 . 1 . . . A 48 PRO C . 19881 1 607 . 1 1 48 48 PRO CA C 13 63.224 0.30 . 1 . . . A 48 PRO CA . 19881 1 608 . 1 1 48 48 PRO CB C 13 32.073 0.30 . 1 . . . A 48 PRO CB . 19881 1 609 . 1 1 48 48 PRO CG C 13 27.450 0.30 . 1 . . . A 48 PRO CG . 19881 1 610 . 1 1 48 48 PRO CD C 13 50.705 0.30 . 1 . . . A 48 PRO CD . 19881 1 611 . 1 1 49 49 LYS H H 1 8.381 0.02 . 1 . . . . 49 LYS HN . 19881 1 612 . 1 1 49 49 LYS HA H 1 4.263 0.02 . 1 . . . . 49 LYS HA . 19881 1 613 . 1 1 49 49 LYS HB2 H 1 1.763 0.02 . 2 . . . . 49 LYS HB2 . 19881 1 614 . 1 1 49 49 LYS HB3 H 1 1.679 0.02 . 2 . . . . 49 LYS HB3 . 19881 1 615 . 1 1 49 49 LYS HG2 H 1 1.397 0.02 . 2 . . . . 49 LYS HG2 . 19881 1 616 . 1 1 49 49 LYS HG3 H 1 1.397 0.02 . 2 . . . . 49 LYS HG3 . 19881 1 617 . 1 1 49 49 LYS HD2 H 1 1.610 0.02 . 2 . . . . 49 LYS HD2 . 19881 1 618 . 1 1 49 49 LYS HD3 H 1 1.610 0.02 . 2 . . . . 49 LYS HD3 . 19881 1 619 . 1 1 49 49 LYS HE2 H 1 2.933 0.02 . 2 . . . . 49 LYS HE2 . 19881 1 620 . 1 1 49 49 LYS HE3 H 1 2.933 0.02 . 2 . . . . 49 LYS HE3 . 19881 1 621 . 1 1 49 49 LYS C C 13 176.830 0.30 . 1 . . . . 49 LYS C . 19881 1 622 . 1 1 49 49 LYS CA C 13 56.362 0.30 . 1 . . . . 49 LYS CA . 19881 1 623 . 1 1 49 49 LYS CB C 13 32.860 0.30 . 1 . . . . 49 LYS CB . 19881 1 624 . 1 1 49 49 LYS CG C 13 24.680 0.30 . 1 . . . . 49 LYS CG . 19881 1 625 . 1 1 49 49 LYS CD C 13 29.080 0.30 . 1 . . . . 49 LYS CD . 19881 1 626 . 1 1 49 49 LYS CE C 13 42.250 0.30 . 1 . . . . 49 LYS CE . 19881 1 627 . 1 1 49 49 LYS N N 15 122.625 0.30 . 1 . . . . 49 LYS N . 19881 1 628 . 1 1 50 50 GLN H H 1 8.371 0.02 . 1 . . . . 50 GLN HN . 19881 1 629 . 1 1 50 50 GLN HA H 1 4.302 0.02 . 1 . . . . 50 GLN HA . 19881 1 630 . 1 1 50 50 GLN HB2 H 1 2.000 0.02 . 2 . . . . 50 GLN HB2 . 19881 1 631 . 1 1 50 50 GLN HB3 H 1 1.878 0.02 . 2 . . . . 50 GLN HB3 . 19881 1 632 . 1 1 50 50 GLN HG2 H 1 2.284 0.02 . 2 . . . . 50 GLN HG2 . 19881 1 633 . 1 1 50 50 GLN HG3 H 1 2.284 0.02 . 2 . . . . 50 GLN HG3 . 19881 1 634 . 1 1 50 50 GLN HE21 H 1 7.495 0.02 . 2 . . . . 50 GLN HE21 . 19881 1 635 . 1 1 50 50 GLN HE22 H 1 6.792 0.02 . 2 . . . . 50 GLN HE22 . 19881 1 636 . 1 1 50 50 GLN C C 13 175.590 0.30 . 1 . . . . 50 GLN C . 19881 1 637 . 1 1 50 50 GLN CA C 13 55.810 0.30 . 1 . . . . 50 GLN CA . 19881 1 638 . 1 1 50 50 GLN CB C 13 29.590 0.30 . 1 . . . . 50 GLN CB . 19881 1 639 . 1 1 50 50 GLN CG C 13 33.860 0.30 . 1 . . . . 50 GLN CG . 19881 1 640 . 1 1 50 50 GLN N N 15 122.249 0.30 . 1 . . . . 50 GLN N . 19881 1 641 . 1 1 50 50 GLN NE2 N 15 113.303 0.30 . 1 . . . . 50 GLN NE2 . 19881 1 642 . 1 1 51 51 ASP H H 1 8.383 0.02 . 1 . . . . 51 ASP HN . 19881 1 643 . 1 1 51 51 ASP HA H 1 4.527 0.02 . 1 . . . . 51 ASP HA . 19881 1 644 . 1 1 51 51 ASP HB2 H 1 2.638 0.02 . 2 . . . . 51 ASP HB2 . 19881 1 645 . 1 1 51 51 ASP HB3 H 1 2.535 0.02 . 2 . . . . 51 ASP HB3 . 19881 1 646 . 1 1 51 51 ASP C C 13 176.360 0.30 . 1 . . . . 51 ASP C . 19881 1 647 . 1 1 51 51 ASP CA C 13 54.330 0.30 . 1 . . . . 51 ASP CA . 19881 1 648 . 1 1 51 51 ASP CB C 13 41.280 0.30 . 1 . . . . 51 ASP CB . 19881 1 649 . 1 1 51 51 ASP N N 15 122.477 0.30 . 1 . . . . 51 ASP N . 19881 1 650 . 1 1 52 52 LYS H H 1 8.313 0.02 . 1 . . . . 52 LYS HN . 19881 1 651 . 1 1 52 52 LYS HA H 1 4.331 0.02 . 1 . . . . 52 LYS HA . 19881 1 652 . 1 1 52 52 LYS HB2 H 1 1.814 0.02 . 2 . . . . 52 LYS HB2 . 19881 1 653 . 1 1 52 52 LYS HB3 H 1 1.696 0.02 . 2 . . . . 52 LYS HB3 . 19881 1 654 . 1 1 52 52 LYS HG2 H 1 1.378 0.02 . 2 . . . . 52 LYS HG2 . 19881 1 655 . 1 1 52 52 LYS HG3 H 1 1.378 0.02 . 2 . . . . 52 LYS HG3 . 19881 1 656 . 1 1 52 52 LYS HD2 H 1 1.605 0.02 . 2 . . . . 52 LYS HD2 . 19881 1 657 . 1 1 52 52 LYS HD3 H 1 1.605 0.02 . 2 . . . . 52 LYS HD3 . 19881 1 658 . 1 1 52 52 LYS HE2 H 1 2.926 0.02 . 2 . . . . 52 LYS HE2 . 19881 1 659 . 1 1 52 52 LYS HE3 H 1 2.926 0.02 . 2 . . . . 52 LYS HE3 . 19881 1 660 . 1 1 52 52 LYS C C 13 177.060 0.30 . 1 . . . . 52 LYS C . 19881 1 661 . 1 1 52 52 LYS CA C 13 56.390 0.30 . 1 . . . . 52 LYS CA . 19881 1 662 . 1 1 52 52 LYS CB C 13 32.840 0.30 . 1 . . . . 52 LYS CB . 19881 1 663 . 1 1 52 52 LYS CG C 13 24.730 0.30 . 1 . . . . 52 LYS CG . 19881 1 664 . 1 1 52 52 LYS CD C 13 28.810 0.30 . 1 . . . . 52 LYS CD . 19881 1 665 . 1 1 52 52 LYS CE C 13 42.150 0.30 . 1 . . . . 52 LYS CE . 19881 1 666 . 1 1 52 52 LYS N N 15 122.632 0.30 . 1 . . . . 52 LYS N . 19881 1 667 . 1 1 53 53 THR H H 1 8.238 0.02 . 1 . . . . 53 THR HN . 19881 1 668 . 1 1 53 53 THR HA H 1 4.268 0.02 . 1 . . . . 53 THR HA . 19881 1 669 . 1 1 53 53 THR HB H 1 4.192 0.02 . 1 . . . . 53 THR HB . 19881 1 670 . 1 1 53 53 THR HG21 H 1 1.144 0.02 . 1 . . . . 53 THR HG21 . 19881 1 671 . 1 1 53 53 THR HG22 H 1 1.144 0.02 . 1 . . . . 53 THR HG21 . 19881 1 672 . 1 1 53 53 THR HG23 H 1 1.144 0.02 . 1 . . . . 53 THR HG21 . 19881 1 673 . 1 1 53 53 THR C C 13 175.040 0.30 . 1 . . . . 53 THR C . 19881 1 674 . 1 1 53 53 THR CA C 13 62.480 0.30 . 1 . . . . 53 THR CA . 19881 1 675 . 1 1 53 53 THR CB C 13 69.830 0.30 . 1 . . . . 53 THR CB . 19881 1 676 . 1 1 53 53 THR CG2 C 13 21.550 0.30 . 1 . . . . 53 THR CG2 . 19881 1 677 . 1 1 53 53 THR N N 15 115.318 0.30 . 1 . . . . 53 THR N . 19881 1 678 . 1 1 54 54 SER H H 1 8.220 0.02 . 1 . . . . 54 SER HN . 19881 1 679 . 1 1 54 54 SER HA H 1 4.417 0.02 . 1 . . . . 54 SER HA . 19881 1 680 . 1 1 54 54 SER HB2 H 1 3.857 0.02 . 2 . . . . 54 SER HB2 . 19881 1 681 . 1 1 54 54 SER HB3 H 1 3.785 0.02 . 2 . . . . 54 SER HB3 . 19881 1 682 . 1 1 54 54 SER C C 13 174.710 0.30 . 1 . . . . 54 SER C . 19881 1 683 . 1 1 54 54 SER CA C 13 58.660 0.30 . 1 . . . . 54 SER CA . 19881 1 684 . 1 1 54 54 SER CB C 13 63.770 0.30 . 1 . . . . 54 SER CB . 19881 1 685 . 1 1 54 54 SER N N 15 118.411 0.30 . 1 . . . . 54 SER N . 19881 1 686 . 1 1 55 55 GLN H H 1 8.304 0.02 . 1 . . . . 55 GLN HN . 19881 1 687 . 1 1 55 55 GLN HA H 1 4.255 0.02 . 1 . . . . 55 GLN HA . 19881 1 688 . 1 1 55 55 GLN HB2 H 1 2.048 0.02 . 2 . . . . 55 GLN HB2 . 19881 1 689 . 1 1 55 55 GLN HB3 H 1 1.895 0.02 . 2 . . . . 55 GLN HB3 . 19881 1 690 . 1 1 55 55 GLN HG2 H 1 2.263 0.02 . 2 . . . . 55 GLN HG2 . 19881 1 691 . 1 1 55 55 GLN HG3 H 1 2.263 0.02 . 2 . . . . 55 GLN HG3 . 19881 1 692 . 1 1 55 55 GLN C C 13 175.910 0.30 . 1 . . . . 55 GLN C . 19881 1 693 . 1 1 55 55 GLN CA C 13 56.230 0.30 . 1 . . . . 55 GLN CA . 19881 1 694 . 1 1 55 55 GLN CB C 13 29.420 0.30 . 1 . . . . 55 GLN CB . 19881 1 695 . 1 1 55 55 GLN CG C 13 33.870 0.30 . 1 . . . . 55 GLN CG . 19881 1 696 . 1 1 55 55 GLN N N 15 122.613 0.30 . 1 . . . . 55 GLN N . 19881 1 697 . 1 1 56 56 ASP H H 1 8.227 0.02 . 1 . . . . 56 ASP HN . 19881 1 698 . 1 1 56 56 ASP HA H 1 4.532 0.02 . 1 . . . . 56 ASP HA . 19881 1 699 . 1 1 56 56 ASP HB2 H 1 2.542 0.02 . 2 . . . . 56 ASP HB2 . 19881 1 700 . 1 1 56 56 ASP HB3 H 1 2.542 0.02 . 2 . . . . 56 ASP HB3 . 19881 1 701 . 1 1 56 56 ASP C C 13 176.320 0.30 . 1 . . . . 56 ASP C . 19881 1 702 . 1 1 56 56 ASP CA C 13 54.630 0.30 . 1 . . . . 56 ASP CA . 19881 1 703 . 1 1 56 56 ASP CB C 13 40.960 0.30 . 1 . . . . 56 ASP CB . 19881 1 704 . 1 1 56 56 ASP N N 15 121.923 0.30 . 1 . . . . 56 ASP N . 19881 1 705 . 1 1 57 57 ALA H H 1 8.112 0.02 . 1 . . . . 57 ALA HN . 19881 1 706 . 1 1 57 57 ALA HA H 1 4.211 0.02 . 1 . . . . 57 ALA HA . 19881 1 707 . 1 1 57 57 ALA HB1 H 1 1.271 0.02 . 1 . . . . 57 ALA HB3 . 19881 1 708 . 1 1 57 57 ALA HB2 H 1 1.271 0.02 . 1 . . . . 57 ALA HB3 . 19881 1 709 . 1 1 57 57 ALA HB3 H 1 1.271 0.02 . 1 . . . . 57 ALA HB3 . 19881 1 710 . 1 1 57 57 ALA C C 13 177.580 0.30 . 1 . . . . 57 ALA C . 19881 1 711 . 1 1 57 57 ALA CA C 13 53.010 0.30 . 1 . . . . 57 ALA CA . 19881 1 712 . 1 1 57 57 ALA CB C 13 19.090 0.30 . 1 . . . . 57 ALA CB . 19881 1 713 . 1 1 57 57 ALA N N 15 124.664 0.30 . 1 . . . . 57 ALA N . 19881 1 714 . 1 1 58 58 ASP H H 1 8.135 0.02 . 1 . . . . 58 ASP HN . 19881 1 715 . 1 1 58 58 ASP HA H 1 4.541 0.02 . 1 . . . . 58 ASP HA . 19881 1 716 . 1 1 58 58 ASP HB2 H 1 2.581 0.02 . 2 . . . . 58 ASP HB2 . 19881 1 717 . 1 1 58 58 ASP HB3 H 1 2.499 0.02 . 2 . . . . 58 ASP HB3 . 19881 1 718 . 1 1 58 58 ASP C C 13 176.550 0.30 . 1 . . . . 58 ASP C . 19881 1 719 . 1 1 58 58 ASP CA C 13 54.290 0.30 . 1 . . . . 58 ASP CA . 19881 1 720 . 1 1 58 58 ASP CB C 13 41.040 0.30 . 1 . . . . 58 ASP CB . 19881 1 721 . 1 1 58 58 ASP N N 15 119.465 0.30 . 1 . . . . 58 ASP N . 19881 1 722 . 1 1 59 59 PHE H H 1 8.092 0.02 . 1 . . . . 59 PHE HN . 19881 1 723 . 1 1 59 59 PHE HA H 1 4.558 0.02 . 1 . . . . 59 PHE HA . 19881 1 724 . 1 1 59 59 PHE HB2 H 1 3.177 0.02 . 2 . . . . 59 PHE HB2 . 19881 1 725 . 1 1 59 59 PHE HB3 H 1 3.088 0.02 . 2 . . . . 59 PHE HB3 . 19881 1 726 . 1 1 59 59 PHE HD1 H 1 7.238 0.02 . 1 . . . . 59 PHE HD1 . 19881 1 727 . 1 1 59 59 PHE C C 13 176.470 0.30 . 1 . . . . 59 PHE C . 19881 1 728 . 1 1 59 59 PHE CA C 13 58.430 0.30 . 1 . . . . 59 PHE CA . 19881 1 729 . 1 1 59 59 PHE CB C 13 39.310 0.30 . 1 . . . . 59 PHE CB . 19881 1 730 . 1 1 59 59 PHE N N 15 121.777 0.30 . 1 . . . . 59 PHE N . 19881 1 731 . 1 1 60 60 THR H H 1 8.030 0.02 . 1 . . . . 60 THR HN . 19881 1 732 . 1 1 60 60 THR HA H 1 4.154 0.02 . 1 . . . . 60 THR HA . 19881 1 733 . 1 1 60 60 THR HB H 1 4.159 0.02 . 1 . . . . 60 THR HB . 19881 1 734 . 1 1 60 60 THR HG21 H 1 1.165 0.02 . 1 . . . . 60 THR HG21 . 19881 1 735 . 1 1 60 60 THR HG22 H 1 1.165 0.02 . 1 . . . . 60 THR HG21 . 19881 1 736 . 1 1 60 60 THR HG23 H 1 1.165 0.02 . 1 . . . . 60 THR HG21 . 19881 1 737 . 1 1 60 60 THR C C 13 174.460 0.30 . 1 . . . . 60 THR C . 19881 1 738 . 1 1 60 60 THR CA C 13 62.780 0.30 . 1 . . . . 60 THR CA . 19881 1 739 . 1 1 60 60 THR CB C 13 69.776 0.30 . 1 . . . . 60 THR CB . 19881 1 740 . 1 1 60 60 THR CG2 C 13 21.590 0.30 . 1 . . . . 60 THR CG2 . 19881 1 741 . 1 1 60 60 THR N N 15 116.185 0.30 . 1 . . . . 60 THR N . 19881 1 742 . 1 1 61 61 ALA H H 1 8.054 0.02 . 1 . . . . 61 ALA HN . 19881 1 743 . 1 1 61 61 ALA HA H 1 4.147 0.02 . 1 . . . . 61 ALA HA . 19881 1 744 . 1 1 61 61 ALA HB1 H 1 1.379 0.02 . 1 . . . . 61 ALA HB3 . 19881 1 745 . 1 1 61 61 ALA HB2 H 1 1.379 0.02 . 1 . . . . 61 ALA HB3 . 19881 1 746 . 1 1 61 61 ALA HB3 H 1 1.379 0.02 . 1 . . . . 61 ALA HB3 . 19881 1 747 . 1 1 61 61 ALA C C 13 178.030 0.30 . 1 . . . . 61 ALA C . 19881 1 748 . 1 1 61 61 ALA CA C 13 53.010 0.30 . 1 . . . . 61 ALA CA . 19881 1 749 . 1 1 61 61 ALA CB C 13 18.970 0.30 . 1 . . . . 61 ALA CB . 19881 1 750 . 1 1 61 61 ALA N N 15 126.420 0.30 . 1 . . . . 61 ALA N . 19881 1 751 . 1 1 62 62 LYS H H 1 8.089 0.02 . 1 . . . . 62 LYS HN . 19881 1 752 . 1 1 62 62 LYS HA H 1 4.265 0.02 . 1 . . . . 62 LYS HA . 19881 1 753 . 1 1 62 62 LYS HB2 H 1 1.775 0.02 . 2 . . . . 62 LYS HB2 . 19881 1 754 . 1 1 62 62 LYS HB3 H 1 1.708 0.02 . 2 . . . . 62 LYS HB3 . 19881 1 755 . 1 1 62 62 LYS HG2 H 1 1.400 0.02 . 2 . . . . 62 LYS HG2 . 19881 1 756 . 1 1 62 62 LYS HG3 H 1 1.400 0.02 . 2 . . . . 62 LYS HG3 . 19881 1 757 . 1 1 62 62 LYS HD2 H 1 1.605 0.02 . 2 . . . . 62 LYS HD2 . 19881 1 758 . 1 1 62 62 LYS HD3 H 1 1.605 0.02 . 2 . . . . 62 LYS HD3 . 19881 1 759 . 1 1 62 62 LYS HE2 H 1 2.930 0.02 . 2 . . . . 62 LYS HE2 . 19881 1 760 . 1 1 62 62 LYS HE3 H 1 2.930 0.02 . 2 . . . . 62 LYS HE3 . 19881 1 761 . 1 1 62 62 LYS C C 13 177.160 0.30 . 1 . . . . 62 LYS C . 19881 1 762 . 1 1 62 62 LYS CA C 13 56.620 0.30 . 1 . . . . 62 LYS CA . 19881 1 763 . 1 1 62 62 LYS CB C 13 33.010 0.30 . 1 . . . . 62 LYS CB . 19881 1 764 . 1 1 62 62 LYS CG C 13 24.770 0.30 . 1 . . . . 62 LYS CG . 19881 1 765 . 1 1 62 62 LYS CD C 13 29.040 0.30 . 1 . . . . 62 LYS CD . 19881 1 766 . 1 1 62 62 LYS CE C 13 42.200 0.30 . 1 . . . . 62 LYS CE . 19881 1 767 . 1 1 62 62 LYS N N 15 120.758 0.30 . 1 . . . . 62 LYS N . 19881 1 768 . 1 1 63 63 THR H H 1 8.063 0.02 . 1 . . . . 63 THR HN . 19881 1 769 . 1 1 63 63 THR HA H 1 4.281 0.02 . 1 . . . . 63 THR HA . 19881 1 770 . 1 1 63 63 THR HB H 1 4.154 0.02 . 1 . . . . 63 THR HB . 19881 1 771 . 1 1 63 63 THR HG21 H 1 1.160 0.02 . 1 . . . . 63 THR HG21 . 19881 1 772 . 1 1 63 63 THR HG22 H 1 1.160 0.02 . 1 . . . . 63 THR HG21 . 19881 1 773 . 1 1 63 63 THR HG23 H 1 1.160 0.02 . 1 . . . . 63 THR HG21 . 19881 1 774 . 1 1 63 63 THR C C 13 174.880 0.30 . 1 . . . . 63 THR C . 19881 1 775 . 1 1 63 63 THR CA C 13 62.224 0.30 . 1 . . . . 63 THR CA . 19881 1 776 . 1 1 63 63 THR CB C 13 69.780 0.30 . 1 . . . . 63 THR CB . 19881 1 777 . 1 1 63 63 THR CG2 C 13 21.550 0.30 . 1 . . . . 63 THR CG2 . 19881 1 778 . 1 1 63 63 THR N N 15 115.909 0.30 . 1 . . . . 63 THR N . 19881 1 779 . 1 1 64 64 ILE H H 1 8.044 0.02 . 1 . . . . 64 ILE HN . 19881 1 780 . 1 1 64 64 ILE HA H 1 4.100 0.02 . 1 . . . . 64 ILE HA . 19881 1 781 . 1 1 64 64 ILE HB H 1 1.846 0.02 . 1 . . . . 64 ILE HB . 19881 1 782 . 1 1 64 64 ILE HG12 H 1 1.452 0.02 . 9 . . . . 64 ILE HG12 . 19881 1 783 . 1 1 64 64 ILE HG13 H 1 1.166 0.02 . 9 . . . . 64 ILE HG13 . 19881 1 784 . 1 1 64 64 ILE HG21 H 1 0.841 0.02 . 2 . . . . 64 ILE HG21 . 19881 1 785 . 1 1 64 64 ILE HG22 H 1 0.841 0.02 . 2 . . . . 64 ILE HG21 . 19881 1 786 . 1 1 64 64 ILE HG23 H 1 0.841 0.02 . 2 . . . . 64 ILE HG21 . 19881 1 787 . 1 1 64 64 ILE HD11 H 1 0.878 0.02 . 1 . . . . 64 ILE HD11 . 19881 1 788 . 1 1 64 64 ILE HD12 H 1 0.878 0.02 . 1 . . . . 64 ILE HD11 . 19881 1 789 . 1 1 64 64 ILE HD13 H 1 0.878 0.02 . 1 . . . . 64 ILE HD11 . 19881 1 790 . 1 1 64 64 ILE C C 13 176.240 0.30 . 1 . . . . 64 ILE C . 19881 1 791 . 1 1 64 64 ILE CA C 13 61.570 0.30 . 1 . . . . 64 ILE CA . 19881 1 792 . 1 1 64 64 ILE CB C 13 38.570 0.30 . 1 . . . . 64 ILE CB . 19881 1 793 . 1 1 64 64 ILE CG1 C 13 27.460 0.30 . 1 . . . . 64 ILE CG1 . 19881 1 794 . 1 1 64 64 ILE CG2 C 13 17.420 0.30 . 1 . . . . 64 ILE CG2 . 19881 1 795 . 1 1 64 64 ILE CD1 C 13 12.940 0.30 . 1 . . . . 64 ILE CD1 . 19881 1 796 . 1 1 64 64 ILE N N 15 123.420 0.30 . 1 . . . . 64 ILE N . 19881 1 797 . 1 1 65 65 ALA H H 1 8.177 0.02 . 1 . . . . 65 ALA HN . 19881 1 798 . 1 1 65 65 ALA HA H 1 4.209 0.02 . 1 . . . . 65 ALA HA . 19881 1 799 . 1 1 65 65 ALA HB1 H 1 1.364 0.02 . 1 . . . . 65 ALA HB3 . 19881 1 800 . 1 1 65 65 ALA HB2 H 1 1.364 0.02 . 1 . . . . 65 ALA HB3 . 19881 1 801 . 1 1 65 65 ALA HB3 H 1 1.364 0.02 . 1 . . . . 65 ALA HB3 . 19881 1 802 . 1 1 65 65 ALA C C 13 177.830 0.30 . 1 . . . . 65 ALA C . 19881 1 803 . 1 1 65 65 ALA CA C 13 52.840 0.30 . 1 . . . . 65 ALA CA . 19881 1 804 . 1 1 65 65 ALA CB C 13 19.270 0.30 . 1 . . . . 65 ALA CB . 19881 1 805 . 1 1 65 65 ALA N N 15 127.888 0.30 . 1 . . . . 65 ALA N . 19881 1 806 . 1 1 66 66 ASP H H 1 8.153 0.02 . 1 . . . . 66 ASP HN . 19881 1 807 . 1 1 66 66 ASP HA H 1 4.471 0.02 . 1 . . . . 66 ASP HA . 19881 1 808 . 1 1 66 66 ASP HB2 H 1 2.588 0.02 . 2 . . . . 66 ASP HB2 . 19881 1 809 . 1 1 66 66 ASP HB3 H 1 2.588 0.02 . 2 . . . . 66 ASP HB3 . 19881 1 810 . 1 1 66 66 ASP C C 13 176.470 0.30 . 1 . . . . 66 ASP C . 19881 1 811 . 1 1 66 66 ASP CA C 13 54.610 0.30 . 1 . . . . 66 ASP CA . 19881 1 812 . 1 1 66 66 ASP CB C 13 41.180 0.30 . 1 . . . . 66 ASP CB . 19881 1 813 . 1 1 66 66 ASP N N 15 120.365 0.30 . 1 . . . . 66 ASP N . 19881 1 814 . 1 1 67 67 LYS H H 1 8.168 0.02 . 1 . . . . 67 LYS HN . 19881 1 815 . 1 1 67 67 LYS HA H 1 4.169 0.02 . 1 . . . . 67 LYS HA . 19881 1 816 . 1 1 67 67 LYS HB2 H 1 1.781 0.02 . 2 . . . . 67 LYS HB2 . 19881 1 817 . 1 1 67 67 LYS HB3 H 1 1.704 0.02 . 2 . . . . 67 LYS HB3 . 19881 1 818 . 1 1 67 67 LYS HG2 H 1 1.415 0.02 . 2 . . . . 67 LYS HG2 . 19881 1 819 . 1 1 67 67 LYS HG3 H 1 1.415 0.02 . 2 . . . . 67 LYS HG3 . 19881 1 820 . 1 1 67 67 LYS HD2 H 1 1.610 0.02 . 2 . . . . 67 LYS HD2 . 19881 1 821 . 1 1 67 67 LYS HD3 H 1 1.610 0.02 . 2 . . . . 67 LYS HD3 . 19881 1 822 . 1 1 67 67 LYS HE2 H 1 2.932 0.02 . 2 . . . . 67 LYS HE2 . 19881 1 823 . 1 1 67 67 LYS HE3 H 1 2.932 0.02 . 2 . . . . 67 LYS HE3 . 19881 1 824 . 1 1 67 67 LYS C C 13 176.930 0.30 . 1 . . . . 67 LYS C . 19881 1 825 . 1 1 67 67 LYS CA C 13 56.580 0.30 . 1 . . . . 67 LYS CA . 19881 1 826 . 1 1 67 67 LYS CB C 13 32.890 0.30 . 1 . . . . 67 LYS CB . 19881 1 827 . 1 1 67 67 LYS CG C 13 24.980 0.30 . 1 . . . . 67 LYS CG . 19881 1 828 . 1 1 67 67 LYS CD C 13 29.100 0.30 . 1 . . . . 67 LYS CD . 19881 1 829 . 1 1 67 67 LYS CE C 13 41.950 0.30 . 1 . . . . 67 LYS CE . 19881 1 830 . 1 1 67 67 LYS N N 15 121.460 0.30 . 1 . . . . 67 LYS N . 19881 1 831 . 1 1 68 68 GLN H H 1 8.282 0.02 . 1 . . . . 68 GLN HN . 19881 1 832 . 1 1 68 68 GLN HA H 1 4.196 0.02 . 1 . . . . 68 GLN HA . 19881 1 833 . 1 1 68 68 GLN HB2 H 1 2.036 0.02 . 2 . . . . 68 GLN HB2 . 19881 1 834 . 1 1 68 68 GLN HB3 H 1 1.933 0.02 . 2 . . . . 68 GLN HB3 . 19881 1 835 . 1 1 68 68 GLN HG2 H 1 2.315 0.02 . 2 . . . . 68 GLN HG2 . 19881 1 836 . 1 1 68 68 GLN HG3 H 1 2.315 0.02 . 2 . . . . 68 GLN HG3 . 19881 1 837 . 1 1 68 68 GLN C C 13 176.010 0.30 . 1 . . . . 68 GLN C . 19881 1 838 . 1 1 68 68 GLN CA C 13 56.150 0.30 . 1 . . . . 68 GLN CA . 19881 1 839 . 1 1 68 68 GLN CB C 13 29.380 0.30 . 1 . . . . 68 GLN CB . 19881 1 840 . 1 1 68 68 GLN CG C 13 33.860 0.30 . 1 . . . . 68 GLN CG . 19881 1 841 . 1 1 68 68 GLN N N 15 121.668 0.30 . 1 . . . . 68 GLN N . 19881 1 842 . 1 1 69 69 ALA H H 1 8.180 0.02 . 1 . . . . 69 ALA HN . 19881 1 843 . 1 1 69 69 ALA HA H 1 4.269 0.02 . 1 . . . . 69 ALA HA . 19881 1 844 . 1 1 69 69 ALA HB1 H 1 1.329 0.02 . 1 . . . . 69 ALA HB3 . 19881 1 845 . 1 1 69 69 ALA HB2 H 1 1.329 0.02 . 1 . . . . 69 ALA HB3 . 19881 1 846 . 1 1 69 69 ALA HB3 H 1 1.329 0.02 . 1 . . . . 69 ALA HB3 . 19881 1 847 . 1 1 69 69 ALA C C 13 177.650 0.30 . 1 . . . . 69 ALA C . 19881 1 848 . 1 1 69 69 ALA CA C 13 52.780 0.30 . 1 . . . . 69 ALA CA . 19881 1 849 . 1 1 69 69 ALA CB C 13 19.290 0.30 . 1 . . . . 69 ALA CB . 19881 1 850 . 1 1 69 69 ALA N N 15 125.391 0.30 . 1 . . . . 69 ALA N . 19881 1 851 . 1 1 70 70 ASP H H 1 8.245 0.02 . 1 . . . . 70 ASP HN . 19881 1 852 . 1 1 70 70 ASP HA H 1 4.540 0.02 . 1 . . . . 70 ASP HA . 19881 1 853 . 1 1 70 70 ASP HB2 H 1 2.673 0.02 . 2 . . . . 70 ASP HB2 . 19881 1 854 . 1 1 70 70 ASP HB3 H 1 2.577 0.02 . 2 . . . . 70 ASP HB3 . 19881 1 855 . 1 1 70 70 ASP C C 13 176.850 0.30 . 1 . . . . 70 ASP C . 19881 1 856 . 1 1 70 70 ASP CA C 13 54.530 0.30 . 1 . . . . 70 ASP CA . 19881 1 857 . 1 1 70 70 ASP CB C 13 41.160 0.30 . 1 . . . . 70 ASP CB . 19881 1 858 . 1 1 70 70 ASP N N 15 120.336 0.30 . 1 . . . . 70 ASP N . 19881 1 859 . 1 1 71 71 THR H H 1 8.034 0.02 . 1 . . . . 71 THR HN . 19881 1 860 . 1 1 71 71 THR HA H 1 4.303 0.02 . 1 . . . . 71 THR HA . 19881 1 861 . 1 1 71 71 THR HB H 1 4.303 0.02 . 1 . . . . 71 THR HB . 19881 1 862 . 1 1 71 71 THR HG21 H 1 1.191 0.02 . 1 . . . . 71 THR HG21 . 19881 1 863 . 1 1 71 71 THR HG22 H 1 1.191 0.02 . 1 . . . . 71 THR HG21 . 19881 1 864 . 1 1 71 71 THR HG23 H 1 1.191 0.02 . 1 . . . . 71 THR HG21 . 19881 1 865 . 1 1 71 71 THR C C 13 174.810 0.30 . 1 . . . . 71 THR C . 19881 1 866 . 1 1 71 71 THR CA C 13 62.220 0.30 . 1 . . . . 71 THR CA . 19881 1 867 . 1 1 71 71 THR CB C 13 69.560 0.30 . 1 . . . . 71 THR CB . 19881 1 868 . 1 1 71 71 THR CG2 C 13 21.590 0.30 . 1 . . . . 71 THR CG2 . 19881 1 869 . 1 1 71 71 THR N N 15 114.522 0.30 . 1 . . . . 71 THR N . 19881 1 870 . 1 1 72 72 ASN H H 1 8.416 0.02 . 1 . . . . 72 ASN HN . 19881 1 871 . 1 1 72 72 ASN HA H 1 4.630 0.02 . 1 . . . . 72 ASN HA . 19881 1 872 . 1 1 72 72 ASN HB2 H 1 2.794 0.02 . 2 . . . . 72 ASN HB2 . 19881 1 873 . 1 1 72 72 ASN HB3 H 1 2.749 0.02 . 2 . . . . 72 ASN HB3 . 19881 1 874 . 1 1 72 72 ASN C C 13 175.580 0.30 . 1 . . . . 72 ASN C . 19881 1 875 . 1 1 72 72 ASN CA C 13 53.750 0.30 . 1 . . . . 72 ASN CA . 19881 1 876 . 1 1 72 72 ASN CB C 13 38.820 0.30 . 1 . . . . 72 ASN CB . 19881 1 877 . 1 1 72 72 ASN N N 15 121.423 0.30 . 1 . . . . 72 ASN N . 19881 1 878 . 1 1 73 73 GLN H H 1 8.284 0.02 . 1 . . . . 73 GLN HN . 19881 1 879 . 1 1 73 73 GLN HA H 1 4.281 0.02 . 1 . . . . 73 GLN HA . 19881 1 880 . 1 1 73 73 GLN HB2 H 1 2.064 0.02 . 2 . . . . 73 GLN HB2 . 19881 1 881 . 1 1 73 73 GLN HB3 H 1 1.919 0.02 . 2 . . . . 73 GLN HB3 . 19881 1 882 . 1 1 73 73 GLN HG2 H 1 2.297 0.02 . 2 . . . . 73 GLN HG2 . 19881 1 883 . 1 1 73 73 GLN HG3 H 1 2.297 0.02 . 2 . . . . 73 GLN HG3 . 19881 1 884 . 1 1 73 73 GLN C C 13 176.440 0.30 . 1 . . . . 73 GLN C . 19881 1 885 . 1 1 73 73 GLN CA C 13 56.420 0.30 . 1 . . . . 73 GLN CA . 19881 1 886 . 1 1 73 73 GLN CB C 13 29.390 0.30 . 1 . . . . 73 GLN CB . 19881 1 887 . 1 1 73 73 GLN CG C 13 33.830 0.30 . 1 . . . . 73 GLN CG . 19881 1 888 . 1 1 73 73 GLN N N 15 121.320 0.30 . 1 . . . . 73 GLN N . 19881 1 889 . 1 1 74 74 GLU H H 1 8.348 0.02 . 1 . . . . 74 GLU HN . 19881 1 890 . 1 1 74 74 GLU HA H 1 4.144 0.02 . 1 . . . . 74 GLU HA . 19881 1 891 . 1 1 74 74 GLU HB2 H 1 1.987 0.02 . 2 . . . . 74 GLU HB2 . 19881 1 892 . 1 1 74 74 GLU HB3 H 1 1.914 0.02 . 2 . . . . 74 GLU HB3 . 19881 1 893 . 1 1 74 74 GLU HG2 H 1 2.211 0.02 . 2 . . . . 74 GLU HG2 . 19881 1 894 . 1 1 74 74 GLU HG3 H 1 2.211 0.02 . 2 . . . . 74 GLU HG3 . 19881 1 895 . 1 1 74 74 GLU CA C 13 56.990 0.30 . 1 . . . . 74 GLU CA . 19881 1 896 . 1 1 74 74 GLU CB C 13 29.840 0.30 . 1 . . . . 74 GLU CB . 19881 1 897 . 1 1 74 74 GLU CG C 13 36.250 0.30 . 1 . . . . 74 GLU CG . 19881 1 898 . 1 1 74 74 GLU N N 15 122.461 0.30 . 1 . . . . 74 GLU N . 19881 1 899 . 1 1 75 75 GLN H H 1 8.297 0.02 . 1 . . . . 75 GLN HN . 19881 1 900 . 1 1 75 75 GLN HA H 1 4.194 0.02 . 1 . . . . 75 GLN HA . 19881 1 901 . 1 1 75 75 GLN HB2 H 1 2.042 0.02 . 2 . . . . 75 GLN HB2 . 19881 1 902 . 1 1 75 75 GLN HB3 H 1 1.919 0.02 . 2 . . . . 75 GLN HB3 . 19881 1 903 . 1 1 75 75 GLN HG2 H 1 2.320 0.02 . 2 . . . . 75 GLN HG2 . 19881 1 904 . 1 1 75 75 GLN HG3 H 1 2.320 0.02 . 2 . . . . 75 GLN HG3 . 19881 1 905 . 1 1 75 75 GLN CA C 13 56.150 0.30 . 1 . . . . 75 GLN CA . 19881 1 906 . 1 1 75 75 GLN CB C 13 29.220 0.30 . 1 . . . . 75 GLN CB . 19881 1 907 . 1 1 75 75 GLN CG C 13 33.822 0.30 . 1 . . . . 75 GLN CG . 19881 1 908 . 1 1 76 76 ALA H H 1 8.200 0.02 . 1 . . . . 76 ALA HN . 19881 1 909 . 1 1 76 76 ALA HA H 1 4.209 0.02 . 1 . . . . 76 ALA HA . 19881 1 910 . 1 1 76 76 ALA HB1 H 1 1.366 0.02 . 1 . . . . 76 ALA HB3 . 19881 1 911 . 1 1 76 76 ALA HB2 H 1 1.366 0.02 . 1 . . . . 76 ALA HB3 . 19881 1 912 . 1 1 76 76 ALA HB3 H 1 1.366 0.02 . 1 . . . . 76 ALA HB3 . 19881 1 913 . 1 1 76 76 ALA C C 13 178.070 0.30 . 1 . . . . 76 ALA C . 19881 1 914 . 1 1 76 76 ALA CA C 13 52.890 0.30 . 1 . . . . 76 ALA CA . 19881 1 915 . 1 1 76 76 ALA CB C 13 19.080 0.30 . 1 . . . . 76 ALA CB . 19881 1 916 . 1 1 76 76 ALA N N 15 125.592 0.30 . 1 . . . . 76 ALA N . 19881 1 917 . 1 1 77 77 LYS H H 1 8.230 0.02 . 1 . . . . 77 LYS HN . 19881 1 918 . 1 1 77 77 LYS HA H 1 4.260 0.02 . 1 . . . . 77 LYS HA . 19881 1 919 . 1 1 77 77 LYS HB2 H 1 1.779 0.02 . 2 . . . . 77 LYS HB2 . 19881 1 920 . 1 1 77 77 LYS HB3 H 1 1.710 0.02 . 2 . . . . 77 LYS HB3 . 19881 1 921 . 1 1 77 77 LYS HG2 H 1 1.367 0.02 . 2 . . . . 77 LYS HG2 . 19881 1 922 . 1 1 77 77 LYS HG3 H 1 1.367 0.02 . 2 . . . . 77 LYS HG3 . 19881 1 923 . 1 1 77 77 LYS HD2 H 1 1.615 0.02 . 2 . . . . 77 LYS HD2 . 19881 1 924 . 1 1 77 77 LYS HD3 H 1 1.615 0.02 . 2 . . . . 77 LYS HD3 . 19881 1 925 . 1 1 77 77 LYS HE2 H 1 2.930 0.02 . 2 . . . . 77 LYS HE2 . 19881 1 926 . 1 1 77 77 LYS HE3 H 1 2.930 0.02 . 2 . . . . 77 LYS HE3 . 19881 1 927 . 1 1 77 77 LYS CA C 13 56.550 0.30 . 1 . . . . 77 LYS CA . 19881 1 928 . 1 1 77 77 LYS CB C 13 32.950 0.30 . 1 . . . . 77 LYS CB . 19881 1 929 . 1 1 77 77 LYS CG C 13 24.730 0.30 . 1 . . . . 77 LYS CG . 19881 1 930 . 1 1 77 77 LYS CD C 13 29.100 0.30 . 1 . . . . 77 LYS CD . 19881 1 931 . 1 1 77 77 LYS CE C 13 42.215 0.30 . 1 . . . . 77 LYS CE . 19881 1 932 . 1 1 77 77 LYS N N 15 121.301 0.30 . 1 . . . . 77 LYS N . 19881 1 933 . 1 1 78 78 THR H H 1 8.078 0.02 . 1 . . . . 78 THR HN . 19881 1 934 . 1 1 78 78 THR HA H 1 4.238 0.02 . 1 . . . . 78 THR HA . 19881 1 935 . 1 1 78 78 THR HB H 1 4.210 0.02 . 1 . . . . 78 THR HB . 19881 1 936 . 1 1 78 78 THR HG21 H 1 1.148 0.02 . 1 . . . . 78 THR HG21 . 19881 1 937 . 1 1 78 78 THR HG22 H 1 1.148 0.02 . 1 . . . . 78 THR HG21 . 19881 1 938 . 1 1 78 78 THR HG23 H 1 1.148 0.02 . 1 . . . . 78 THR HG21 . 19881 1 939 . 1 1 78 78 THR C C 13 175.050 0.30 . 1 . . . . 78 THR C . 19881 1 940 . 1 1 78 78 THR CA C 13 62.270 0.30 . 1 . . . . 78 THR CA . 19881 1 941 . 1 1 78 78 THR CB C 13 69.770 0.30 . 1 . . . . 78 THR CB . 19881 1 942 . 1 1 78 78 THR CG2 C 13 21.590 0.30 . 1 . . . . 78 THR CG2 . 19881 1 943 . 1 1 78 78 THR N N 15 115.894 0.30 . 1 . . . . 78 THR N . 19881 1 944 . 1 1 79 79 GLU H H 1 8.452 0.02 . 1 . . . . 79 GLU HN . 19881 1 945 . 1 1 79 79 GLU HA H 1 4.199 0.02 . 1 . . . . 79 GLU HA . 19881 1 946 . 1 1 79 79 GLU HB2 H 1 1.981 0.02 . 2 . . . . 79 GLU HB2 . 19881 1 947 . 1 1 79 79 GLU HB3 H 1 1.909 0.02 . 2 . . . . 79 GLU HB3 . 19881 1 948 . 1 1 79 79 GLU HG2 H 1 2.220 0.02 . 2 . . . . 79 GLU HG2 . 19881 1 949 . 1 1 79 79 GLU HG3 H 1 2.220 0.02 . 2 . . . . 79 GLU HG3 . 19881 1 950 . 1 1 79 79 GLU C C 13 176.930 0.30 . 1 . . . . 79 GLU C . 19881 1 951 . 1 1 79 79 GLU CA C 13 57.240 0.30 . 1 . . . . 79 GLU CA . 19881 1 952 . 1 1 79 79 GLU CB C 13 30.100 0.30 . 1 . . . . 79 GLU CB . 19881 1 953 . 1 1 79 79 GLU CG C 13 36.180 0.30 . 1 . . . . 79 GLU CG . 19881 1 954 . 1 1 79 79 GLU N N 15 123.412 0.30 . 1 . . . . 79 GLU N . 19881 1 955 . 1 1 80 80 ASP H H 1 8.281 0.02 . 1 . . . . 80 ASP HN . 19881 1 956 . 1 1 80 80 ASP HA H 1 4.522 0.02 . 1 . . . . 80 ASP HA . 19881 1 957 . 1 1 80 80 ASP HB2 H 1 2.587 0.02 . 2 . . . . 80 ASP HB2 . 19881 1 958 . 1 1 80 80 ASP HB3 H 1 2.587 0.02 . 2 . . . . 80 ASP HB3 . 19881 1 959 . 1 1 80 80 ASP C C 13 176.690 0.30 . 1 . . . . 80 ASP C . 19881 1 960 . 1 1 80 80 ASP CA C 13 55.090 0.30 . 1 . . . . 80 ASP CA . 19881 1 961 . 1 1 80 80 ASP CB C 13 41.200 0.30 . 1 . . . . 80 ASP CB . 19881 1 962 . 1 1 80 80 ASP N N 15 121.643 0.30 . 1 . . . . 80 ASP N . 19881 1 963 . 1 1 81 81 ALA H H 1 8.092 0.02 . 1 . . . . 81 ALA HN . 19881 1 964 . 1 1 81 81 ALA HA H 1 4.224 0.02 . 1 . . . . 81 ALA HA . 19881 1 965 . 1 1 81 81 ALA HB1 H 1 1.366 0.02 . 1 . . . . 81 ALA HB3 . 19881 1 966 . 1 1 81 81 ALA HB2 H 1 1.366 0.02 . 1 . . . . 81 ALA HB3 . 19881 1 967 . 1 1 81 81 ALA HB3 H 1 1.366 0.02 . 1 . . . . 81 ALA HB3 . 19881 1 968 . 1 1 81 81 ALA C C 13 178.350 0.30 . 1 . . . . 81 ALA C . 19881 1 969 . 1 1 81 81 ALA CA C 13 52.984 0.30 . 1 . . . . 81 ALA CA . 19881 1 970 . 1 1 81 81 ALA CB C 13 19.040 0.30 . 1 . . . . 81 ALA CB . 19881 1 971 . 1 1 81 81 ALA N N 15 124.643 0.30 . 1 . . . . 81 ALA N . 19881 1 972 . 1 1 82 82 LYS H H 1 8.050 0.02 . 1 . . . . 82 LYS HN . 19881 1 973 . 1 1 82 82 LYS HA H 1 4.213 0.02 . 1 . . . . 82 LYS HA . 19881 1 974 . 1 1 82 82 LYS HB2 H 1 1.754 0.02 . 2 . . . . 82 LYS HB2 . 19881 1 975 . 1 1 82 82 LYS HB3 H 1 1.754 0.02 . 2 . . . . 82 LYS HB3 . 19881 1 976 . 1 1 82 82 LYS HG2 H 1 1.360 0.02 . 2 . . . . 82 LYS HG2 . 19881 1 977 . 1 1 82 82 LYS HG3 H 1 1.360 0.02 . 2 . . . . 82 LYS HG3 . 19881 1 978 . 1 1 82 82 LYS HD2 H 1 1.611 0.02 . 2 . . . . 82 LYS HD2 . 19881 1 979 . 1 1 82 82 LYS HD3 H 1 1.611 0.02 . 2 . . . . 82 LYS HD3 . 19881 1 980 . 1 1 82 82 LYS HE2 H 1 2.926 0.02 . 2 . . . . 82 LYS HE2 . 19881 1 981 . 1 1 82 82 LYS HE3 H 1 2.926 0.02 . 2 . . . . 82 LYS HE3 . 19881 1 982 . 1 1 82 82 LYS C C 13 176.910 0.30 . 1 . . . . 82 LYS C . 19881 1 983 . 1 1 82 82 LYS CA C 13 56.650 0.30 . 1 . . . . 82 LYS CA . 19881 1 984 . 1 1 82 82 LYS CB C 13 32.720 0.30 . 1 . . . . 82 LYS CB . 19881 1 985 . 1 1 82 82 LYS CG C 13 24.760 0.30 . 1 . . . . 82 LYS CG . 19881 1 986 . 1 1 82 82 LYS CD C 13 29.060 0.30 . 1 . . . . 82 LYS CD . 19881 1 987 . 1 1 82 82 LYS CE C 13 42.160 0.30 . 1 . . . . 82 LYS CE . 19881 1 988 . 1 1 82 82 LYS N N 15 119.741 0.30 . 1 . . . . 82 LYS N . 19881 1 989 . 1 1 83 83 ARG H H 1 7.972 0.02 . 1 . . . . 83 ARG HN . 19881 1 990 . 1 1 83 83 ARG HA H 1 4.147 0.02 . 1 . . . . 83 ARG HA . 19881 1 991 . 1 1 83 83 ARG HB2 H 1 1.741 0.02 . 2 . . . . 83 ARG HB2 . 19881 1 992 . 1 1 83 83 ARG HB3 H 1 1.701 0.02 . 2 . . . . 83 ARG HB3 . 19881 1 993 . 1 1 83 83 ARG HG2 H 1 1.544 0.02 . 2 . . . . 83 ARG HG2 . 19881 1 994 . 1 1 83 83 ARG HG3 H 1 1.478 0.02 . 2 . . . . 83 ARG HG3 . 19881 1 995 . 1 1 83 83 ARG HD2 H 1 3.157 0.02 . 2 . . . . 83 ARG HD2 . 19881 1 996 . 1 1 83 83 ARG HD3 H 1 3.157 0.02 . 2 . . . . 83 ARG HD3 . 19881 1 997 . 1 1 83 83 ARG CA C 13 56.560 0.30 . 1 . . . . 83 ARG CA . 19881 1 998 . 1 1 83 83 ARG CB C 13 30.610 0.30 . 1 . . . . 83 ARG CB . 19881 1 999 . 1 1 83 83 ARG CG C 13 27.180 0.30 . 1 . . . . 83 ARG CG . 19881 1 1000 . 1 1 83 83 ARG CD C 13 43.320 0.30 . 1 . . . . 83 ARG CD . 19881 1 1001 . 1 1 83 83 ARG N N 15 121.628 0.30 . 1 . . . . 83 ARG N . 19881 1 1002 . 1 1 84 84 HIS H H 1 8.219 0.02 . 1 . . . . 84 HIS HN . 19881 1 1003 . 1 1 84 84 HIS HA H 1 4.607 0.02 . 1 . . . . 84 HIS HA . 19881 1 1004 . 1 1 84 84 HIS HB2 H 1 3.209 0.02 . 2 . . . . 84 HIS HB2 . 19881 1 1005 . 1 1 84 84 HIS HB3 H 1 3.073 0.02 . 2 . . . . 84 HIS HB3 . 19881 1 1006 . 1 1 84 84 HIS CA C 13 56.040 0.30 . 1 . . . . 84 HIS CA . 19881 1 1007 . 1 1 84 84 HIS CB C 13 29.360 0.30 . 1 . . . . 84 HIS CB . 19881 1 1008 . 1 1 85 85 ASP H H 1 8.245 0.02 . 1 . . . . 85 ASP HN . 19881 1 1009 . 1 1 85 85 ASP HA H 1 4.539 0.02 . 1 . . . . 85 ASP HA . 19881 1 1010 . 1 1 85 85 ASP HB2 H 1 2.585 0.02 . 2 . . . . 85 ASP HB2 . 19881 1 1011 . 1 1 85 85 ASP HB3 H 1 2.556 0.02 . 2 . . . . 85 ASP HB3 . 19881 1 1012 . 1 1 85 85 ASP CA C 13 54.700 0.30 . 1 . . . . 85 ASP CA . 19881 1 1013 . 1 1 85 85 ASP CB C 13 41.230 0.30 . 1 . . . . 85 ASP CB . 19881 1 1014 . 1 1 85 85 ASP N N 15 122.330 0.30 . 1 . . . . 85 ASP N . 19881 1 1015 . 1 1 86 86 LYS H H 1 8.093 0.02 . 1 . . . . 86 LYS HN . 19881 1 1016 . 1 1 86 86 LYS HA H 1 4.264 0.02 . 1 . . . . 86 LYS HA . 19881 1 1017 . 1 1 86 86 LYS HB2 H 1 1.851 0.02 . 2 . . . . 86 LYS HB2 . 19881 1 1018 . 1 1 86 86 LYS HB3 H 1 1.851 0.02 . 2 . . . . 86 LYS HB3 . 19881 1 1019 . 1 1 86 86 LYS HG2 H 1 1.370 0.02 . 2 . . . . 86 LYS HG2 . 19881 1 1020 . 1 1 86 86 LYS HG3 H 1 1.370 0.02 . 2 . . . . 86 LYS HG3 . 19881 1 1021 . 1 1 86 86 LYS HD2 H 1 1.618 0.02 . 2 . . . . 86 LYS HD2 . 19881 1 1022 . 1 1 86 86 LYS HD3 H 1 1.618 0.02 . 2 . . . . 86 LYS HD3 . 19881 1 1023 . 1 1 86 86 LYS HE2 H 1 2.929 0.02 . 2 . . . . 86 LYS HE2 . 19881 1 1024 . 1 1 86 86 LYS HE3 H 1 2.929 0.02 . 2 . . . . 86 LYS HE3 . 19881 1 1025 . 1 1 86 86 LYS CA C 13 56.540 0.30 . 1 . . . . 86 LYS CA . 19881 1 1026 . 1 1 86 86 LYS CB C 13 32.720 0.30 . 1 . . . . 86 LYS CB . 19881 1 1027 . 1 1 86 86 LYS CG C 13 24.700 0.30 . 1 . . . . 86 LYS CG . 19881 1 1028 . 1 1 86 86 LYS CD C 13 29.250 0.30 . 1 . . . . 86 LYS CD . 19881 1 1029 . 1 1 86 86 LYS CE C 13 42.200 0.30 . 1 . . . . 86 LYS CE . 19881 1 1030 . 1 1 86 86 LYS N N 15 121.869 0.30 . 1 . . . . 86 LYS N . 19881 1 1031 . 1 1 87 87 GLU HA H 1 4.241 0.02 . 1 . . . . 87 GLU HA . 19881 1 1032 . 1 1 87 87 GLU HB2 H 1 1.975 0.02 . 2 . . . . 87 GLU HB2 . 19881 1 1033 . 1 1 87 87 GLU HB3 H 1 1.913 0.02 . 2 . . . . 87 GLU HB3 . 19881 1 1034 . 1 1 87 87 GLU HG2 H 1 2.220 0.02 . 2 . . . . 87 GLU HG2 . 19881 1 1035 . 1 1 87 87 GLU HG3 H 1 2.220 0.02 . 2 . . . . 87 GLU HG3 . 19881 1 1036 . 1 1 87 87 GLU CA C 13 56.770 0.30 . 1 . . . . 87 GLU CA . 19881 1 1037 . 1 1 87 87 GLU CB C 13 30.050 0.30 . 1 . . . . 87 GLU CB . 19881 1 1038 . 1 1 87 87 GLU CG C 13 36.310 0.30 . 1 . . . . 87 GLU CG . 19881 1 1039 . 1 1 88 88 GLN H H 1 8.281 0.02 . 1 . . . . 88 GLN HN . 19881 1 1040 . 1 1 88 88 GLN HA H 1 4.305 0.02 . 1 . . . . 88 GLN HA . 19881 1 1041 . 1 1 88 88 GLN HB2 H 1 1.985 0.02 . 2 . . . . 88 GLN HB2 . 19881 1 1042 . 1 1 88 88 GLN HB3 H 1 1.890 0.02 . 2 . . . . 88 GLN HB3 . 19881 1 1043 . 1 1 88 88 GLN HG2 H 1 2.280 0.02 . 2 . . . . 88 GLN HG2 . 19881 1 1044 . 1 1 88 88 GLN HG3 H 1 2.280 0.02 . 2 . . . . 88 GLN HG3 . 19881 1 1045 . 1 1 88 88 GLN C C 13 175.960 0.30 . 1 . . . . 88 GLN C . 19881 1 1046 . 1 1 88 88 GLN CA C 13 55.830 0.30 . 1 . . . . 88 GLN CA . 19881 1 1047 . 1 1 88 88 GLN CB C 13 29.700 0.30 . 1 . . . . 88 GLN CB . 19881 1 1048 . 1 1 88 88 GLN CG C 13 33.860 0.30 . 1 . . . . 88 GLN CG . 19881 1 1049 . 1 1 88 88 GLN N N 15 121.880 0.30 . 1 . . . . 88 GLN N . 19881 1 1050 . 1 1 89 89 VAL H H 1 8.107 0.02 . 1 . . . . 89 VAL HN . 19881 1 1051 . 1 1 89 89 VAL HA H 1 4.041 0.02 . 1 . . . . 89 VAL HA . 19881 1 1052 . 1 1 89 89 VAL HB H 1 2.020 0.02 . 1 . . . . 89 VAL HB . 19881 1 1053 . 1 1 89 89 VAL HG21 H 1 0.913 0.02 . 2 . . . . 89 VAL HG21 . 19881 1 1054 . 1 1 89 89 VAL HG22 H 1 0.913 0.02 . 2 . . . . 89 VAL HG21 . 19881 1 1055 . 1 1 89 89 VAL HG23 H 1 0.913 0.02 . 2 . . . . 89 VAL HG21 . 19881 1 1056 . 1 1 89 89 VAL C C 13 176.180 0.30 . 1 . . . . 89 VAL C . 19881 1 1057 . 1 1 89 89 VAL CA C 13 62.560 0.30 . 1 . . . . 89 VAL CA . 19881 1 1058 . 1 1 89 89 VAL CB C 13 32.719 0.30 . 1 . . . . 89 VAL CB . 19881 1 1059 . 1 1 89 89 VAL CG2 C 13 21.072 0.30 . 2 . . . . 89 VAL CG2 . 19881 1 1060 . 1 1 89 89 VAL N N 15 122.542 0.30 . 1 . . . . 89 VAL N . 19881 1 1061 . 1 1 90 90 LEU H H 1 8.218 0.02 . 1 . . . . 90 LEU HN . 19881 1 1062 . 1 1 90 90 LEU HA H 1 4.312 0.02 . 1 . . . . 90 LEU HA . 19881 1 1063 . 1 1 90 90 LEU HB2 H 1 1.550 0.02 . 2 . . . . 90 LEU HB2 . 19881 1 1064 . 1 1 90 90 LEU HB3 H 1 1.462 0.02 . 2 . . . . 90 LEU HB3 . 19881 1 1065 . 1 1 90 90 LEU HG H 1 1.500 0.02 . 1 . . . . 90 LEU HG . 19881 1 1066 . 1 1 90 90 LEU HD11 H 1 0.859 0.02 . 2 . . . . 90 LEU HD11 . 19881 1 1067 . 1 1 90 90 LEU HD12 H 1 0.859 0.02 . 2 . . . . 90 LEU HD11 . 19881 1 1068 . 1 1 90 90 LEU HD13 H 1 0.859 0.02 . 2 . . . . 90 LEU HD11 . 19881 1 1069 . 1 1 90 90 LEU HD21 H 1 0.803 0.02 . 2 . . . . 90 LEU HD21 . 19881 1 1070 . 1 1 90 90 LEU HD22 H 1 0.803 0.02 . 2 . . . . 90 LEU HD21 . 19881 1 1071 . 1 1 90 90 LEU HD23 H 1 0.803 0.02 . 2 . . . . 90 LEU HD21 . 19881 1 1072 . 1 1 90 90 LEU C C 13 175.910 0.30 . 1 . . . . 90 LEU C . 19881 1 1073 . 1 1 90 90 LEU CA C 13 55.110 0.30 . 1 . . . . 90 LEU CA . 19881 1 1074 . 1 1 90 90 LEU CB C 13 42.270 0.30 . 1 . . . . 90 LEU CB . 19881 1 1075 . 1 1 90 90 LEU CG C 13 26.960 0.30 . 1 . . . . 90 LEU CG . 19881 1 1076 . 1 1 90 90 LEU CD2 C 13 23.706 0.30 . 2 . . . . 90 LEU CD2 . 19881 1 1077 . 1 1 90 90 LEU N N 15 126.462 0.30 . 1 . . . . 90 LEU N . 19881 1 1078 . 1 1 91 91 GLU H H 1 8.211 0.02 . 1 . . . . 91 GLU HN . 19881 1 1079 . 1 1 91 91 GLU HA H 1 4.208 0.02 . 1 . . . . 91 GLU HA . 19881 1 1080 . 1 1 91 91 GLU HB2 H 1 2.004 0.02 . 2 . . . . 91 GLU HB2 . 19881 1 1081 . 1 1 91 91 GLU HB3 H 1 1.858 0.02 . 2 . . . . 91 GLU HB3 . 19881 1 1082 . 1 1 91 91 GLU HG2 H 1 2.211 0.02 . 2 . . . . 91 GLU HG2 . 19881 1 1083 . 1 1 91 91 GLU HG3 H 1 2.211 0.02 . 2 . . . . 91 GLU HG3 . 19881 1 1084 . 1 1 91 91 GLU C C 13 175.700 0.30 . 1 . . . . 91 GLU C . 19881 1 1085 . 1 1 91 91 GLU CA C 13 56.460 0.30 . 1 . . . . 91 GLU CA . 19881 1 1086 . 1 1 91 91 GLU CB C 13 30.300 0.30 . 1 . . . . 91 GLU CB . 19881 1 1087 . 1 1 91 91 GLU CG C 13 36.140 0.30 . 1 . . . . 91 GLU CG . 19881 1 1088 . 1 1 91 91 GLU N N 15 122.105 0.30 . 1 . . . . 91 GLU N . 19881 1 stop_ save_