data_19714 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19714 _Entry.Title ; Transport protein A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-01-02 _Entry.Accession_date 2014-01-02 _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 . . . 19714 2 Yunfei Hu . . . 19714 3 Changwen Jin . . . 19714 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19714 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 378 19714 '15N chemical shifts' 90 19714 '1H chemical shifts' 628 19714 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 . 19714 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19714 _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 . . . 19714 1 2 Yunfei Hu . . . 19714 1 3 Hongwei Li . . . 19714 1 4 Changwen Jin . . . 19714 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19714 _Assembly.ID 1 _Assembly.Name 'Transport protein A' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Transport protein A' 1 $TP_A A . yes native no no . . . 19714 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TP_A _Entity.Sf_category entity _Entity.Sf_framecode TP_A _Entity.Entry_ID 19714 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MCGMGGISIWQLLIIAVIVV LLFGTKKLGSIGSDLGASIK GFKKAMSDDEPKQDKTSQDA DFTAKTIADKQADTNQEQAK TEDAKRHDKEQVLEHHHHHH ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19881 . entity . . . . . 97.00 97 100.00 100.00 3.23e-61 . . . . 19714 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 2.51e-64 . . . . 19714 1 3 no PDB 2MN7 . "Solution Structure Of Monomeric Tata Of Twin-arginine Translocation System From E. Coli" . . . . . 97.00 97 100.00 100.00 3.23e-61 . . . . 19714 1 4 no DBJ BAB38189 . "Sec-independent protein translocase [Escherichia coli O157:H7 str. Sakai]" . . . . . 89.00 89 100.00 100.00 2.09e-54 . . . . 19714 1 5 no DBJ BAE77465 . "TatABCE protein translocation system subunit [Escherichia coli str. K12 substr. W3110]" . . . . . 89.00 89 100.00 100.00 2.09e-54 . . . . 19714 1 6 no DBJ BAG79648 . "Sec-independent protein translocase protein [Escherichia coli SE11]" . . . . . 89.00 89 100.00 100.00 2.09e-54 . . . . 19714 1 7 no DBJ BAI27909 . "TatABCE protein translocation system subunit TatA [Escherichia coli O26:H11 str. 11368]" . . . . . 89.00 89 100.00 100.00 2.09e-54 . . . . 19714 1 8 no DBJ BAI33032 . "TatABCE protein translocation system subunit TatA [Escherichia coli O103:H2 str. 12009]" . . . . . 89.00 89 100.00 100.00 2.09e-54 . . . . 19714 1 9 no EMBL CAA06724 . "TatA protein [Escherichia coli]" . . . . . 89.00 89 100.00 100.00 2.09e-54 . . . . 19714 1 10 no EMBL CAP78301 . "Sec-independent protein translocase protein tatA [Escherichia coli LF82]" . . . . . 89.00 89 100.00 100.00 2.09e-54 . . . . 19714 1 11 no EMBL CAQ34195 . "tatA, subunit of TatABCE protein export complex [Escherichia coli BL21(DE3)]" . . . . . 89.00 89 100.00 100.00 2.09e-54 . . . . 19714 1 12 no EMBL CAR00812 . "TatABCE protein translocation system subunit [Escherichia coli IAI1]" . . . . . 89.00 89 100.00 100.00 2.09e-54 . . . . 19714 1 13 no EMBL CAR05477 . "TatABCE protein translocation system subunit [Escherichia coli S88]" . . . . . 89.00 89 100.00 100.00 2.09e-54 . . . . 19714 1 14 no GB AAA67633 . "o261 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 71.00 261 100.00 100.00 4.51e-39 . . . . 19714 1 15 no GB AAC19240 . "MttA1 [Escherichia coli]" . . . . . 89.00 103 100.00 100.00 4.58e-54 . . . . 19714 1 16 no GB AAC76839 . "TatABCE protein translocation system subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 89.00 89 100.00 100.00 2.09e-54 . . . . 19714 1 17 no GB AAG59032 . "twin arginine translocation protein; sec-independent protein export [Escherichia coli O157:H7 str. EDL933]" . . . . . 89.00 103 100.00 100.00 3.85e-54 . . . . 19714 1 18 no GB AAN45349 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 89.00 103 100.00 100.00 4.58e-54 . . . . 19714 1 19 no PIR D86071 . "hypothetical protein tatA [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" . . . . . 89.00 103 100.00 100.00 3.85e-54 . . . . 19714 1 20 no REF NP_312793 . "twin arginine translocase A [Escherichia coli O157:H7 str. Sakai]" . . . . . 89.00 89 100.00 100.00 2.09e-54 . . . . 19714 1 21 no REF NP_418280 . "TatABCE protein translocation system subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 89.00 89 100.00 100.00 2.09e-54 . . . . 19714 1 22 no REF NP_709642 . "twin-arginine translocation protein TatA [Shigella flexneri 2a str. 301]" . . . . . 89.00 103 100.00 100.00 4.58e-54 . . . . 19714 1 23 no REF WP_000508967 . "MULTISPECIES: protein translocase TatA [Escherichia]" . . . . . 89.00 89 98.88 98.88 1.11e-53 . . . . 19714 1 24 no REF WP_001234791 . "MULTISPECIES: protein translocase TatA [Shigella]" . . . . . 89.00 103 100.00 100.00 4.58e-54 . . . . 19714 1 25 no SP P69428 . "RecName: Full=Sec-independent protein translocase protein TatA" . . . . . 89.00 89 100.00 100.00 2.09e-54 . . . . 19714 1 26 no SP P69429 . "RecName: Full=Sec-independent protein translocase protein TatA" . . . . . 89.00 89 100.00 100.00 2.09e-54 . . . . 19714 1 27 no SP P69430 . "RecName: Full=Sec-independent protein translocase protein TatA" . . . . . 89.00 89 100.00 100.00 2.09e-54 . . . . 19714 1 28 no SP P69431 . "RecName: Full=Sec-independent protein translocase protein TatA" . . . . . 89.00 89 100.00 100.00 2.09e-54 . . . . 19714 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 . 19714 1 2 2 CYS . 19714 1 3 3 GLY . 19714 1 4 4 MET . 19714 1 5 5 GLY . 19714 1 6 6 GLY . 19714 1 7 7 ILE . 19714 1 8 8 SER . 19714 1 9 9 ILE . 19714 1 10 10 TRP . 19714 1 11 11 GLN . 19714 1 12 12 LEU . 19714 1 13 13 LEU . 19714 1 14 14 ILE . 19714 1 15 15 ILE . 19714 1 16 16 ALA . 19714 1 17 17 VAL . 19714 1 18 18 ILE . 19714 1 19 19 VAL . 19714 1 20 20 VAL . 19714 1 21 21 LEU . 19714 1 22 22 LEU . 19714 1 23 23 PHE . 19714 1 24 24 GLY . 19714 1 25 25 THR . 19714 1 26 26 LYS . 19714 1 27 27 LYS . 19714 1 28 28 LEU . 19714 1 29 29 GLY . 19714 1 30 30 SER . 19714 1 31 31 ILE . 19714 1 32 32 GLY . 19714 1 33 33 SER . 19714 1 34 34 ASP . 19714 1 35 35 LEU . 19714 1 36 36 GLY . 19714 1 37 37 ALA . 19714 1 38 38 SER . 19714 1 39 39 ILE . 19714 1 40 40 LYS . 19714 1 41 41 GLY . 19714 1 42 42 PHE . 19714 1 43 43 LYS . 19714 1 44 44 LYS . 19714 1 45 45 ALA . 19714 1 46 46 MET . 19714 1 47 47 SER . 19714 1 48 48 ASP . 19714 1 49 49 ASP . 19714 1 50 50 GLU . 19714 1 51 51 PRO . 19714 1 52 52 LYS . 19714 1 53 53 GLN . 19714 1 54 54 ASP . 19714 1 55 55 LYS . 19714 1 56 56 THR . 19714 1 57 57 SER . 19714 1 58 58 GLN . 19714 1 59 59 ASP . 19714 1 60 60 ALA . 19714 1 61 61 ASP . 19714 1 62 62 PHE . 19714 1 63 63 THR . 19714 1 64 64 ALA . 19714 1 65 65 LYS . 19714 1 66 66 THR . 19714 1 67 67 ILE . 19714 1 68 68 ALA . 19714 1 69 69 ASP . 19714 1 70 70 LYS . 19714 1 71 71 GLN . 19714 1 72 72 ALA . 19714 1 73 73 ASP . 19714 1 74 74 THR . 19714 1 75 75 ASN . 19714 1 76 76 GLN . 19714 1 77 77 GLU . 19714 1 78 78 GLN . 19714 1 79 79 ALA . 19714 1 80 80 LYS . 19714 1 81 81 THR . 19714 1 82 82 GLU . 19714 1 83 83 ASP . 19714 1 84 84 ALA . 19714 1 85 85 LYS . 19714 1 86 86 ARG . 19714 1 87 87 HIS . 19714 1 88 88 ASP . 19714 1 89 89 LYS . 19714 1 90 90 GLU . 19714 1 91 91 GLN . 19714 1 92 92 VAL . 19714 1 93 93 LEU . 19714 1 94 94 GLU . 19714 1 95 95 HIS . 19714 1 96 96 HIS . 19714 1 97 97 HIS . 19714 1 98 98 HIS . 19714 1 99 99 HIS . 19714 1 100 100 HIS . 19714 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 19714 1 . CYS 2 2 19714 1 . GLY 3 3 19714 1 . MET 4 4 19714 1 . GLY 5 5 19714 1 . GLY 6 6 19714 1 . ILE 7 7 19714 1 . SER 8 8 19714 1 . ILE 9 9 19714 1 . TRP 10 10 19714 1 . GLN 11 11 19714 1 . LEU 12 12 19714 1 . LEU 13 13 19714 1 . ILE 14 14 19714 1 . ILE 15 15 19714 1 . ALA 16 16 19714 1 . VAL 17 17 19714 1 . ILE 18 18 19714 1 . VAL 19 19 19714 1 . VAL 20 20 19714 1 . LEU 21 21 19714 1 . LEU 22 22 19714 1 . PHE 23 23 19714 1 . GLY 24 24 19714 1 . THR 25 25 19714 1 . LYS 26 26 19714 1 . LYS 27 27 19714 1 . LEU 28 28 19714 1 . GLY 29 29 19714 1 . SER 30 30 19714 1 . ILE 31 31 19714 1 . GLY 32 32 19714 1 . SER 33 33 19714 1 . ASP 34 34 19714 1 . LEU 35 35 19714 1 . GLY 36 36 19714 1 . ALA 37 37 19714 1 . SER 38 38 19714 1 . ILE 39 39 19714 1 . LYS 40 40 19714 1 . GLY 41 41 19714 1 . PHE 42 42 19714 1 . LYS 43 43 19714 1 . LYS 44 44 19714 1 . ALA 45 45 19714 1 . MET 46 46 19714 1 . SER 47 47 19714 1 . ASP 48 48 19714 1 . ASP 49 49 19714 1 . GLU 50 50 19714 1 . PRO 51 51 19714 1 . LYS 52 52 19714 1 . GLN 53 53 19714 1 . ASP 54 54 19714 1 . LYS 55 55 19714 1 . THR 56 56 19714 1 . SER 57 57 19714 1 . GLN 58 58 19714 1 . ASP 59 59 19714 1 . ALA 60 60 19714 1 . ASP 61 61 19714 1 . PHE 62 62 19714 1 . THR 63 63 19714 1 . ALA 64 64 19714 1 . LYS 65 65 19714 1 . THR 66 66 19714 1 . ILE 67 67 19714 1 . ALA 68 68 19714 1 . ASP 69 69 19714 1 . LYS 70 70 19714 1 . GLN 71 71 19714 1 . ALA 72 72 19714 1 . ASP 73 73 19714 1 . THR 74 74 19714 1 . ASN 75 75 19714 1 . GLN 76 76 19714 1 . GLU 77 77 19714 1 . GLN 78 78 19714 1 . ALA 79 79 19714 1 . LYS 80 80 19714 1 . THR 81 81 19714 1 . GLU 82 82 19714 1 . ASP 83 83 19714 1 . ALA 84 84 19714 1 . LYS 85 85 19714 1 . ARG 86 86 19714 1 . HIS 87 87 19714 1 . ASP 88 88 19714 1 . LYS 89 89 19714 1 . GLU 90 90 19714 1 . GLN 91 91 19714 1 . VAL 92 92 19714 1 . LEU 93 93 19714 1 . GLU 94 94 19714 1 . HIS 95 95 19714 1 . HIS 96 96 19714 1 . HIS 97 97 19714 1 . HIS 98 98 19714 1 . HIS 99 99 19714 1 . HIS 100 100 19714 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 19714 _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 $TP_A . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 19714 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 19714 _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 $TP_A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-21a . . . 19714 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19714 _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 'transport protein A' '[U-100% 15N]' . . 1 $TP_A . . 1 . . mM . . . . 19714 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19714 1 3 DPC 'natural abundance' . . . . . . 80 . . mM . . . . 19714 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19714 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19714 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19714 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'transport protein A' '[U-100% 15N]' . . 1 $TP_A . . 1 . . mM . . . . 19714 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19714 2 3 DPC 'natural abundance' . . . . . . 80 . . mM . . . . 19714 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19714 2 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19714 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19714 _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 19714 1 pH 7.0 . pH 19714 1 pressure 1 . atm 19714 1 temperature 308 . K 19714 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19714 _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' . . 19714 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19714 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19714 _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' . . 19714 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19714 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19714 _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' . . 19714 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19714 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19714 _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' . . 19714 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19714 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 19714 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19714 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19714 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19714 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19714 _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 . 500 . . . 19714 1 2 spectrometer_2 Bruker Avance . 600 . . . 19714 1 3 spectrometer_3 Bruker Avance . 800 . . . 19714 1 4 spectrometer_4 Bruker Avance . 700 . . . 19714 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 19714 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19714 1 2 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19714 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19714 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19714 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19714 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19714 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19714 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19714 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 19714 _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 . . . . . . . . . 19714 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19714 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19714 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 19714 _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 3 '3D HNCO' . . . 19714 1 6 '3D 1H-15N NOESY' . . . 19714 1 7 '3D 1H-13C NOESY' . . . 19714 1 8 '3D 1H-13C NOESY aromatic' . . . 19714 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 4 4 MET H H 1 8.264 0.020 . 1 . . . . 1 MET HN . 19714 1 2 . 1 1 4 4 MET HA H 1 4.442 0.020 . 1 . . . . 1 MET HA . 19714 1 3 . 1 1 4 4 MET HB2 H 1 2.101 0.020 . 2 . . . . 1 MET HB2 . 19714 1 4 . 1 1 4 4 MET HB3 H 1 2.017 0.020 . 2 . . . . 1 MET HB3 . 19714 1 5 . 1 1 4 4 MET HG2 H 1 2.553 0.020 . 2 . . . . 1 MET HG2 . 19714 1 6 . 1 1 4 4 MET HG3 H 1 2.484 0.020 . 2 . . . . 1 MET HG3 . 19714 1 7 . 1 1 4 4 MET HE1 H 1 2.005 0.020 . 1 . . . . 1 MET HE1 . 19714 1 8 . 1 1 4 4 MET HE2 H 1 2.005 0.020 . 1 . . . . 1 MET HE1 . 19714 1 9 . 1 1 4 4 MET HE3 H 1 2.005 0.020 . 1 . . . . 1 MET HE1 . 19714 1 10 . 1 1 4 4 MET C C 13 176.284 0.200 . 1 . . . . 1 MET C . 19714 1 11 . 1 1 4 4 MET CA C 13 55.900 0.200 . 1 . . . . 1 MET CA . 19714 1 12 . 1 1 4 4 MET CB C 13 33.544 0.200 . 1 . . . . 1 MET CB . 19714 1 13 . 1 1 4 4 MET CG C 13 32.527 0.200 . 1 . . . . 1 MET CG . 19714 1 14 . 1 1 4 4 MET CE C 13 17.304 0.200 . 1 . . . . 1 MET CE . 19714 1 15 . 1 1 4 4 MET N N 15 119.975 0.200 . 1 . . . . 1 MET N . 19714 1 16 . 1 1 5 5 GLY H H 1 8.520 0.020 . 1 . . . . 2 GLY HN . 19714 1 17 . 1 1 5 5 GLY HA2 H 1 3.910 0.020 . 2 . . . . 2 GLY HA2 . 19714 1 18 . 1 1 5 5 GLY HA3 H 1 3.910 0.020 . 2 . . . . 2 GLY HA3 . 19714 1 19 . 1 1 5 5 GLY C C 13 174.289 0.200 . 1 . . . . 2 GLY C . 19714 1 20 . 1 1 5 5 GLY CA C 13 46.010 0.200 . 1 . . . . 2 GLY CA . 19714 1 21 . 1 1 5 5 GLY N N 15 109.149 0.200 . 1 . . . . 2 GLY N . 19714 1 22 . 1 1 6 6 GLY H H 1 8.203 0.020 . 1 . . . . 3 GLY HN . 19714 1 23 . 1 1 6 6 GLY HA2 H 1 3.939 0.020 . 2 . . . . 3 GLY HA2 . 19714 1 24 . 1 1 6 6 GLY HA3 H 1 3.939 0.020 . 2 . . . . 3 GLY HA3 . 19714 1 25 . 1 1 6 6 GLY C C 13 173.636 0.200 . 1 . . . . 3 GLY C . 19714 1 26 . 1 1 6 6 GLY CA C 13 45.276 0.200 . 1 . . . . 3 GLY CA . 19714 1 27 . 1 1 6 6 GLY N N 15 108.201 0.200 . 1 . . . . 3 GLY N . 19714 1 28 . 1 1 7 7 ILE H H 1 7.751 0.020 . 1 . . . . 4 ILE HN . 19714 1 29 . 1 1 7 7 ILE HA H 1 4.336 0.020 . 1 . . . . 4 ILE HA . 19714 1 30 . 1 1 7 7 ILE HB H 1 1.827 0.020 . 1 . . . . 4 ILE HB . 19714 1 31 . 1 1 7 7 ILE HG12 H 1 1.515 0.020 . 1 . . . . 4 ILE HG12 . 19714 1 32 . 1 1 7 7 ILE HG13 H 1 1.187 0.020 . 1 . . . . 4 ILE HG13 . 19714 1 33 . 1 1 7 7 ILE HG21 H 1 0.865 0.020 . 1 . . . . 4 ILE HG21 . 19714 1 34 . 1 1 7 7 ILE HG22 H 1 0.865 0.020 . 1 . . . . 4 ILE HG21 . 19714 1 35 . 1 1 7 7 ILE HG23 H 1 0.865 0.020 . 1 . . . . 4 ILE HG21 . 19714 1 36 . 1 1 7 7 ILE HD11 H 1 0.761 0.020 . 1 . . . . 4 ILE HD11 . 19714 1 37 . 1 1 7 7 ILE HD12 H 1 0.761 0.020 . 1 . . . . 4 ILE HD11 . 19714 1 38 . 1 1 7 7 ILE HD13 H 1 0.761 0.020 . 1 . . . . 4 ILE HD11 . 19714 1 39 . 1 1 7 7 ILE CA C 13 60.610 0.200 . 1 . . . . 4 ILE CA . 19714 1 40 . 1 1 7 7 ILE CB C 13 39.100 0.200 . 1 . . . . 4 ILE CB . 19714 1 41 . 1 1 7 7 ILE CG1 C 13 27.836 0.200 . 1 . . . . 4 ILE CG1 . 19714 1 42 . 1 1 7 7 ILE CG2 C 13 17.490 0.200 . 1 . . . . 4 ILE CG2 . 19714 1 43 . 1 1 7 7 ILE CD1 C 13 13.426 0.200 . 1 . . . . 4 ILE CD1 . 19714 1 44 . 1 1 7 7 ILE N N 15 120.491 0.200 . 1 . . . . 4 ILE N . 19714 1 45 . 1 1 8 8 SER H H 1 8.135 0.020 . 1 . . . . 5 SER HN . 19714 1 46 . 1 1 8 8 SER HA H 1 4.724 0.020 . 1 . . . . 5 SER HA . 19714 1 47 . 1 1 8 8 SER HB2 H 1 4.133 0.020 . 2 . . . . 5 SER HB2 . 19714 1 48 . 1 1 8 8 SER HB3 H 1 3.880 0.020 . 2 . . . . 5 SER HB3 . 19714 1 49 . 1 1 8 8 SER C C 13 175.781 0.200 . 1 . . . . 5 SER C . 19714 1 50 . 1 1 8 8 SER CA C 13 57.000 0.200 . 1 . . . . 5 SER CA . 19714 1 51 . 1 1 8 8 SER CB C 13 65.987 0.200 . 1 . . . . 5 SER CB . 19714 1 52 . 1 1 8 8 SER N N 15 120.574 0.200 . 1 . . . . 5 SER N . 19714 1 53 . 1 1 9 9 ILE H H 1 8.946 0.020 . 1 . . . . 6 ILE HN . 19714 1 54 . 1 1 9 9 ILE HA H 1 3.777 0.020 . 1 . . . . 6 ILE HA . 19714 1 55 . 1 1 9 9 ILE HB H 1 1.730 0.020 . 1 . . . . 6 ILE HB . 19714 1 56 . 1 1 9 9 ILE HG12 H 1 1.265 0.020 . 1 . . . . 6 ILE HG12 . 19714 1 57 . 1 1 9 9 ILE HG13 H 1 1.069 0.020 . 1 . . . . 6 ILE HG13 . 19714 1 58 . 1 1 9 9 ILE HG21 H 1 0.477 0.020 . 1 . . . . 6 ILE HG21 . 19714 1 59 . 1 1 9 9 ILE HG22 H 1 0.477 0.020 . 1 . . . . 6 ILE HG21 . 19714 1 60 . 1 1 9 9 ILE HG23 H 1 0.477 0.020 . 1 . . . . 6 ILE HG21 . 19714 1 61 . 1 1 9 9 ILE HD11 H 1 0.750 0.020 . 1 . . . . 6 ILE HD11 . 19714 1 62 . 1 1 9 9 ILE HD12 H 1 0.750 0.020 . 1 . . . . 6 ILE HD11 . 19714 1 63 . 1 1 9 9 ILE HD13 H 1 0.750 0.020 . 1 . . . . 6 ILE HD11 . 19714 1 64 . 1 1 9 9 ILE C C 13 176.286 0.200 . 1 . . . . 6 ILE C . 19714 1 65 . 1 1 9 9 ILE CA C 13 63.573 0.200 . 1 . . . . 6 ILE CA . 19714 1 66 . 1 1 9 9 ILE CB C 13 37.312 0.200 . 1 . . . . 6 ILE CB . 19714 1 67 . 1 1 9 9 ILE CG1 C 13 28.913 0.200 . 1 . . . . 6 ILE CG1 . 19714 1 68 . 1 1 9 9 ILE CG2 C 13 17.344 0.200 . 1 . . . . 6 ILE CG2 . 19714 1 69 . 1 1 9 9 ILE CD1 C 13 13.498 0.200 . 1 . . . . 6 ILE CD1 . 19714 1 70 . 1 1 9 9 ILE N N 15 122.707 0.200 . 1 . . . . 6 ILE N . 19714 1 71 . 1 1 10 10 TRP H H 1 7.376 0.020 . 1 . . . . 7 TRP HN . 19714 1 72 . 1 1 10 10 TRP HA H 1 4.378 0.020 . 1 . . . . 7 TRP HA . 19714 1 73 . 1 1 10 10 TRP HB2 H 1 3.228 0.020 . 2 . . . . 7 TRP HB2 . 19714 1 74 . 1 1 10 10 TRP HB3 H 1 3.228 0.020 . 2 . . . . 7 TRP HB3 . 19714 1 75 . 1 1 10 10 TRP HD1 H 1 7.463 0.020 . 1 . . . . 7 TRP HD1 . 19714 1 76 . 1 1 10 10 TRP HE1 H 1 10.623 0.020 . 1 . . . . 7 TRP HE1 . 19714 1 77 . 1 1 10 10 TRP HZ2 H 1 7.466 0.020 . 1 . . . . 7 TRP HZ2 . 19714 1 78 . 1 1 10 10 TRP HZ3 H 1 6.816 0.020 . 1 . . . . 7 TRP HZ3 . 19714 1 79 . 1 1 10 10 TRP HH2 H 1 7.026 0.020 . 1 . . . . 7 TRP HH2 . 19714 1 80 . 1 1 10 10 TRP C C 13 177.864 0.200 . 1 . . . . 7 TRP C . 19714 1 81 . 1 1 10 10 TRP CA C 13 59.324 0.200 . 1 . . . . 7 TRP CA . 19714 1 82 . 1 1 10 10 TRP CB C 13 41.324 0.200 . 1 . . . . 7 TRP CB . 19714 1 83 . 1 1 10 10 TRP CD1 C 13 127.973 0.200 . 1 . . . . 7 TRP CD1 . 19714 1 84 . 1 1 10 10 TRP CZ2 C 13 114.895 0.200 . 1 . . . . 7 TRP CZ2 . 19714 1 85 . 1 1 10 10 TRP CH2 C 13 123.955 0.200 . 1 . . . . 7 TRP CH2 . 19714 1 86 . 1 1 10 10 TRP N N 15 119.834 0.200 . 1 . . . . 7 TRP N . 19714 1 87 . 1 1 10 10 TRP NE1 N 15 131.081 0.200 . 1 . . . . 7 TRP NE1 . 19714 1 88 . 1 1 11 11 GLN H H 1 7.302 0.020 . 1 . . . . 8 GLN HN . 19714 1 89 . 1 1 11 11 GLN HA H 1 3.746 0.020 . 1 . . . . 8 GLN HA . 19714 1 90 . 1 1 11 11 GLN HB2 H 1 2.283 0.020 . 2 . . . . 8 GLN HB2 . 19714 1 91 . 1 1 11 11 GLN HB3 H 1 2.283 0.020 . 2 . . . . 8 GLN HB3 . 19714 1 92 . 1 1 11 11 GLN HG2 H 1 1.786 0.020 . 2 . . . . 8 GLN HG2 . 19714 1 93 . 1 1 11 11 GLN HG3 H 1 1.738 0.020 . 2 . . . . 8 GLN HG3 . 19714 1 94 . 1 1 11 11 GLN HE21 H 1 6.790 0.020 . 2 . . . . 8 GLN HE21 . 19714 1 95 . 1 1 11 11 GLN HE22 H 1 6.630 0.020 . 2 . . . . 8 GLN HE22 . 19714 1 96 . 1 1 11 11 GLN C C 13 177.765 0.200 . 1 . . . . 8 GLN C . 19714 1 97 . 1 1 11 11 GLN CA C 13 59.425 0.200 . 1 . . . . 8 GLN CA . 19714 1 98 . 1 1 11 11 GLN CB C 13 28.094 0.200 . 1 . . . . 8 GLN CB . 19714 1 99 . 1 1 11 11 GLN CG C 13 34.190 0.200 . 1 . . . . 8 GLN CG . 19714 1 100 . 1 1 11 11 GLN N N 15 117.431 0.200 . 1 . . . . 8 GLN N . 19714 1 101 . 1 1 11 11 GLN NE2 N 15 109.220 0.200 . 1 . . . . 8 GLN NE2 . 19714 1 102 . 1 1 12 12 LEU H H 1 7.683 0.020 . 1 . . . . 9 LEU HN . 19714 1 103 . 1 1 12 12 LEU HA H 1 3.927 0.020 . 1 . . . . 9 LEU HA . 19714 1 104 . 1 1 12 12 LEU HB2 H 1 1.780 0.020 . 2 . . . . 9 LEU HB2 . 19714 1 105 . 1 1 12 12 LEU HB3 H 1 1.545 0.020 . 2 . . . . 9 LEU HB3 . 19714 1 106 . 1 1 12 12 LEU HG H 1 1.705 0.020 . 1 . . . . 9 LEU HG . 19714 1 107 . 1 1 12 12 LEU HD11 H 1 0.817 0.020 . 2 . . . . 9 LEU HD11 . 19714 1 108 . 1 1 12 12 LEU HD12 H 1 0.817 0.020 . 2 . . . . 9 LEU HD11 . 19714 1 109 . 1 1 12 12 LEU HD13 H 1 0.817 0.020 . 2 . . . . 9 LEU HD11 . 19714 1 110 . 1 1 12 12 LEU HD21 H 1 0.783 0.020 . 2 . . . . 9 LEU HD21 . 19714 1 111 . 1 1 12 12 LEU HD22 H 1 0.783 0.020 . 2 . . . . 9 LEU HD21 . 19714 1 112 . 1 1 12 12 LEU HD23 H 1 0.783 0.020 . 2 . . . . 9 LEU HD21 . 19714 1 113 . 1 1 12 12 LEU C C 13 178.096 0.200 . 1 . . . . 9 LEU C . 19714 1 114 . 1 1 12 12 LEU CA C 13 58.073 0.200 . 1 . . . . 9 LEU CA . 19714 1 115 . 1 1 12 12 LEU CB C 13 41.803 0.200 . 1 . . . . 9 LEU CB . 19714 1 116 . 1 1 12 12 LEU CG C 13 26.866 0.200 . 1 . . . . 9 LEU CG . 19714 1 117 . 1 1 12 12 LEU CD1 C 13 25.207 0.200 . 2 . . . . 9 LEU CD1 . 19714 1 118 . 1 1 12 12 LEU CD2 C 13 24.164 0.200 . 1 . . . . 9 LEU CD2 . 19714 1 119 . 1 1 12 12 LEU N N 15 118.220 0.200 . 1 . . . . 9 LEU N . 19714 1 120 . 1 1 13 13 LEU H H 1 8.182 0.020 . 1 . . . . 10 LEU HN . 19714 1 121 . 1 1 13 13 LEU HA H 1 3.954 0.020 . 1 . . . . 10 LEU HA . 19714 1 122 . 1 1 13 13 LEU HB2 H 1 1.841 0.020 . 2 . . . . 10 LEU HB2 . 19714 1 123 . 1 1 13 13 LEU HB3 H 1 1.693 0.020 . 2 . . . . 10 LEU HB3 . 19714 1 124 . 1 1 13 13 LEU HG H 1 1.730 0.020 . 1 . . . . 10 LEU HG . 19714 1 125 . 1 1 13 13 LEU HD11 H 1 0.802 0.020 . 2 . . . . 10 LEU HD11 . 19714 1 126 . 1 1 13 13 LEU HD12 H 1 0.802 0.020 . 2 . . . . 10 LEU HD11 . 19714 1 127 . 1 1 13 13 LEU HD13 H 1 0.802 0.020 . 2 . . . . 10 LEU HD11 . 19714 1 128 . 1 1 13 13 LEU HD21 H 1 0.825 0.020 . 2 . . . . 10 LEU HD21 . 19714 1 129 . 1 1 13 13 LEU HD22 H 1 0.825 0.020 . 2 . . . . 10 LEU HD21 . 19714 1 130 . 1 1 13 13 LEU HD23 H 1 0.825 0.020 . 2 . . . . 10 LEU HD21 . 19714 1 131 . 1 1 13 13 LEU C C 13 177.983 0.200 . 1 . . . . 10 LEU C . 19714 1 132 . 1 1 13 13 LEU CA C 13 58.215 0.200 . 1 . . . . 10 LEU CA . 19714 1 133 . 1 1 13 13 LEU CB C 13 41.770 0.200 . 1 . . . . 10 LEU CB . 19714 1 134 . 1 1 13 13 LEU CG C 13 27.050 0.200 . 1 . . . . 10 LEU CG . 19714 1 135 . 1 1 13 13 LEU CD1 C 13 25.161 0.200 . 1 . . . . 10 LEU CD1 . 19714 1 136 . 1 1 13 13 LEU CD2 C 13 24.172 0.200 . 1 . . . . 10 LEU CD2 . 19714 1 137 . 1 1 13 13 LEU N N 15 118.408 0.200 . 1 . . . . 10 LEU N . 19714 1 138 . 1 1 14 14 ILE H H 1 7.730 0.020 . 1 . . . . 11 ILE HN . 19714 1 139 . 1 1 14 14 ILE HA H 1 3.616 0.020 . 1 . . . . 11 ILE HA . 19714 1 140 . 1 1 14 14 ILE HB H 1 2.053 0.020 . 1 . . . . 11 ILE HB . 19714 1 141 . 1 1 14 14 ILE HG12 H 1 1.896 0.020 . 1 . . . . 11 ILE HG12 . 19714 1 142 . 1 1 14 14 ILE HG13 H 1 1.177 0.020 . 1 . . . . 11 ILE HG13 . 19714 1 143 . 1 1 14 14 ILE HG21 H 1 0.906 0.020 . 1 . . . . 11 ILE HG21 . 19714 1 144 . 1 1 14 14 ILE HG22 H 1 0.906 0.020 . 1 . . . . 11 ILE HG21 . 19714 1 145 . 1 1 14 14 ILE HG23 H 1 0.906 0.020 . 1 . . . . 11 ILE HG21 . 19714 1 146 . 1 1 14 14 ILE HD11 H 1 0.888 0.020 . 1 . . . . 11 ILE HD11 . 19714 1 147 . 1 1 14 14 ILE HD12 H 1 0.888 0.020 . 1 . . . . 11 ILE HD11 . 19714 1 148 . 1 1 14 14 ILE HD13 H 1 0.888 0.020 . 1 . . . . 11 ILE HD11 . 19714 1 149 . 1 1 14 14 ILE C C 13 177.336 0.200 . 1 . . . . 11 ILE C . 19714 1 150 . 1 1 14 14 ILE CA C 13 65.215 0.200 . 1 . . . . 11 ILE CA . 19714 1 151 . 1 1 14 14 ILE CB C 13 37.385 0.200 . 1 . . . . 11 ILE CB . 19714 1 152 . 1 1 14 14 ILE CG1 C 13 29.490 0.200 . 1 . . . . 11 ILE CG1 . 19714 1 153 . 1 1 14 14 ILE CG2 C 13 17.878 0.200 . 1 . . . . 11 ILE CG2 . 19714 1 154 . 1 1 14 14 ILE CD1 C 13 13.232 0.200 . 1 . . . . 11 ILE CD1 . 19714 1 155 . 1 1 14 14 ILE N N 15 117.868 0.200 . 1 . . . . 11 ILE N . 19714 1 156 . 1 1 15 15 ILE H H 1 7.805 0.020 . 1 . . . . 12 ILE HN . 19714 1 157 . 1 1 15 15 ILE HA H 1 3.531 0.020 . 1 . . . . 12 ILE HA . 19714 1 158 . 1 1 15 15 ILE HB H 1 2.009 0.020 . 1 . . . . 12 ILE HB . 19714 1 159 . 1 1 15 15 ILE HG12 H 1 1.827 0.020 . 1 . . . . 12 ILE HG12 . 19714 1 160 . 1 1 15 15 ILE HG13 H 1 1.032 0.020 . 1 . . . . 12 ILE HG13 . 19714 1 161 . 1 1 15 15 ILE HG21 H 1 0.814 0.020 . 1 . . . . 12 ILE HG21 . 19714 1 162 . 1 1 15 15 ILE HG22 H 1 0.814 0.020 . 1 . . . . 12 ILE HG21 . 19714 1 163 . 1 1 15 15 ILE HG23 H 1 0.814 0.020 . 1 . . . . 12 ILE HG21 . 19714 1 164 . 1 1 15 15 ILE HD11 H 1 0.775 0.020 . 1 . . . . 12 ILE HD11 . 19714 1 165 . 1 1 15 15 ILE HD12 H 1 0.775 0.020 . 1 . . . . 12 ILE HD11 . 19714 1 166 . 1 1 15 15 ILE HD13 H 1 0.775 0.020 . 1 . . . . 12 ILE HD11 . 19714 1 167 . 1 1 15 15 ILE C C 13 176.931 0.200 . 1 . . . . 12 ILE C . 19714 1 168 . 1 1 15 15 ILE CA C 13 65.512 0.200 . 1 . . . . 12 ILE CA . 19714 1 169 . 1 1 15 15 ILE CB C 13 37.502 0.200 . 1 . . . . 12 ILE CB . 19714 1 170 . 1 1 15 15 ILE CG1 C 13 29.412 0.200 . 1 . . . . 12 ILE CG1 . 19714 1 171 . 1 1 15 15 ILE CG2 C 13 17.427 0.200 . 1 . . . . 12 ILE CG2 . 19714 1 172 . 1 1 15 15 ILE CD1 C 13 13.163 0.200 . 1 . . . . 12 ILE CD1 . 19714 1 173 . 1 1 15 15 ILE N N 15 119.077 0.200 . 1 . . . . 12 ILE N . 19714 1 174 . 1 1 16 16 ALA H H 1 8.385 0.020 . 1 . . . . 13 ALA HN . 19714 1 175 . 1 1 16 16 ALA HA H 1 3.827 0.020 . 1 . . . . 13 ALA HA . 19714 1 176 . 1 1 16 16 ALA HB1 H 1 1.415 0.020 . 1 . . . . 13 ALA HB3 . 19714 1 177 . 1 1 16 16 ALA HB2 H 1 1.415 0.020 . 1 . . . . 13 ALA HB3 . 19714 1 178 . 1 1 16 16 ALA HB3 H 1 1.415 0.020 . 1 . . . . 13 ALA HB3 . 19714 1 179 . 1 1 16 16 ALA C C 13 178.605 0.200 . 1 . . . . 13 ALA C . 19714 1 180 . 1 1 16 16 ALA CA C 13 55.913 0.200 . 1 . . . . 13 ALA CA . 19714 1 181 . 1 1 16 16 ALA CB C 13 18.052 0.200 . 1 . . . . 13 ALA CB . 19714 1 182 . 1 1 16 16 ALA N N 15 121.169 0.200 . 1 . . . . 13 ALA N . 19714 1 183 . 1 1 17 17 VAL H H 1 8.182 0.020 . 1 . . . . 14 VAL HN . 19714 1 184 . 1 1 17 17 VAL HA H 1 3.428 0.020 . 1 . . . . 14 VAL HA . 19714 1 185 . 1 1 17 17 VAL HB H 1 2.274 0.020 . 1 . . . . 14 VAL HB . 19714 1 186 . 1 1 17 17 VAL HG11 H 1 0.868 0.020 . 2 . . . . 14 VAL HG11 . 19714 1 187 . 1 1 17 17 VAL HG12 H 1 0.868 0.020 . 2 . . . . 14 VAL HG11 . 19714 1 188 . 1 1 17 17 VAL HG13 H 1 0.868 0.020 . 2 . . . . 14 VAL HG11 . 19714 1 189 . 1 1 17 17 VAL HG21 H 1 1.034 0.020 . 2 . . . . 14 VAL HG21 . 19714 1 190 . 1 1 17 17 VAL HG22 H 1 1.034 0.020 . 2 . . . . 14 VAL HG21 . 19714 1 191 . 1 1 17 17 VAL HG23 H 1 1.034 0.020 . 2 . . . . 14 VAL HG21 . 19714 1 192 . 1 1 17 17 VAL C C 13 177.236 0.200 . 1 . . . . 14 VAL C . 19714 1 193 . 1 1 17 17 VAL CA C 13 67.304 0.200 . 1 . . . . 14 VAL CA . 19714 1 194 . 1 1 17 17 VAL CB C 13 31.455 0.200 . 1 . . . . 14 VAL CB . 19714 1 195 . 1 1 17 17 VAL CG1 C 13 21.679 0.200 . 1 . . . . 14 VAL CG1 . 19714 1 196 . 1 1 17 17 VAL CG2 C 13 23.505 0.200 . 1 . . . . 14 VAL CG2 . 19714 1 197 . 1 1 17 17 VAL N N 15 116.625 0.200 . 1 . . . . 14 VAL N . 19714 1 198 . 1 1 18 18 ILE H H 1 8.037 0.020 . 1 . . . . 15 ILE HN . 19714 1 199 . 1 1 18 18 ILE HA H 1 3.511 0.020 . 1 . . . . 15 ILE HA . 19714 1 200 . 1 1 18 18 ILE HB H 1 2.085 0.020 . 1 . . . . 15 ILE HB . 19714 1 201 . 1 1 18 18 ILE HG12 H 1 1.885 0.020 . 9 . . . . 15 ILE HG12 . 19714 1 202 . 1 1 18 18 ILE HG13 H 1 1.004 0.020 . 9 . . . . 15 ILE HG13 . 19714 1 203 . 1 1 18 18 ILE HG21 H 1 0.822 0.020 . 1 . . . . 15 ILE HG21 . 19714 1 204 . 1 1 18 18 ILE HG22 H 1 0.822 0.020 . 1 . . . . 15 ILE HG21 . 19714 1 205 . 1 1 18 18 ILE HG23 H 1 0.822 0.020 . 1 . . . . 15 ILE HG21 . 19714 1 206 . 1 1 18 18 ILE HD11 H 1 0.762 0.020 . 1 . . . . 15 ILE HD11 . 19714 1 207 . 1 1 18 18 ILE HD12 H 1 0.762 0.020 . 1 . . . . 15 ILE HD11 . 19714 1 208 . 1 1 18 18 ILE HD13 H 1 0.762 0.020 . 1 . . . . 15 ILE HD11 . 19714 1 209 . 1 1 18 18 ILE C C 13 177.451 0.200 . 1 . . . . 15 ILE C . 19714 1 210 . 1 1 18 18 ILE CA C 13 66.103 0.200 . 1 . . . . 15 ILE CA . 19714 1 211 . 1 1 18 18 ILE CB C 13 37.364 0.200 . 1 . . . . 15 ILE CB . 19714 1 212 . 1 1 18 18 ILE CG1 C 13 29.363 0.200 . 1 . . . . 15 ILE CG1 . 19714 1 213 . 1 1 18 18 ILE CG2 C 13 17.414 0.200 . 1 . . . . 15 ILE CG2 . 19714 1 214 . 1 1 18 18 ILE CD1 C 13 13.542 0.200 . 1 . . . . 15 ILE CD1 . 19714 1 215 . 1 1 18 18 ILE N N 15 119.622 0.200 . 1 . . . . 15 ILE N . 19714 1 216 . 1 1 19 19 VAL H H 1 8.484 0.020 . 1 . . . . 16 VAL HN . 19714 1 217 . 1 1 19 19 VAL HA H 1 3.597 0.020 . 1 . . . . 16 VAL HA . 19714 1 218 . 1 1 19 19 VAL HB H 1 2.312 0.020 . 1 . . . . 16 VAL HB . 19714 1 219 . 1 1 19 19 VAL HG11 H 1 0.956 0.020 . 2 . . . . 16 VAL HG11 . 19714 1 220 . 1 1 19 19 VAL HG12 H 1 0.956 0.020 . 2 . . . . 16 VAL HG11 . 19714 1 221 . 1 1 19 19 VAL HG13 H 1 0.956 0.020 . 2 . . . . 16 VAL HG11 . 19714 1 222 . 1 1 19 19 VAL HG21 H 1 1.061 0.020 . 2 . . . . 16 VAL HG21 . 19714 1 223 . 1 1 19 19 VAL HG22 H 1 1.061 0.020 . 2 . . . . 16 VAL HG21 . 19714 1 224 . 1 1 19 19 VAL HG23 H 1 1.061 0.020 . 2 . . . . 16 VAL HG21 . 19714 1 225 . 1 1 19 19 VAL C C 13 178.033 0.200 . 1 . . . . 16 VAL C . 19714 1 226 . 1 1 19 19 VAL CA C 13 67.791 0.200 . 1 . . . . 16 VAL CA . 19714 1 227 . 1 1 19 19 VAL CB C 13 31.323 0.200 . 1 . . . . 16 VAL CB . 19714 1 228 . 1 1 19 19 VAL CG1 C 13 22.157 0.200 . 1 . . . . 16 VAL CG1 . 19714 1 229 . 1 1 19 19 VAL CG2 C 13 23.520 0.200 . 1 . . . . 16 VAL CG2 . 19714 1 230 . 1 1 19 19 VAL N N 15 118.534 0.200 . 1 . . . . 16 VAL N . 19714 1 231 . 1 1 20 20 VAL H H 1 8.325 0.020 . 1 . . . . 17 VAL HN . 19714 1 232 . 1 1 20 20 VAL HA H 1 3.602 0.020 . 1 . . . . 17 VAL HA . 19714 1 233 . 1 1 20 20 VAL HB H 1 2.212 0.020 . 1 . . . . 17 VAL HB . 19714 1 234 . 1 1 20 20 VAL HG11 H 1 0.914 0.020 . 2 . . . . 17 VAL HG11 . 19714 1 235 . 1 1 20 20 VAL HG12 H 1 0.914 0.020 . 2 . . . . 17 VAL HG11 . 19714 1 236 . 1 1 20 20 VAL HG13 H 1 0.914 0.020 . 2 . . . . 17 VAL HG11 . 19714 1 237 . 1 1 20 20 VAL HG21 H 1 1.031 0.020 . 2 . . . . 17 VAL HG21 . 19714 1 238 . 1 1 20 20 VAL HG22 H 1 1.031 0.020 . 2 . . . . 17 VAL HG21 . 19714 1 239 . 1 1 20 20 VAL HG23 H 1 1.031 0.020 . 2 . . . . 17 VAL HG21 . 19714 1 240 . 1 1 20 20 VAL C C 13 178.276 0.200 . 1 . . . . 17 VAL C . 19714 1 241 . 1 1 20 20 VAL CA C 13 67.285 0.200 . 1 . . . . 17 VAL CA . 19714 1 242 . 1 1 20 20 VAL CB C 13 31.187 0.200 . 1 . . . . 17 VAL CB . 19714 1 243 . 1 1 20 20 VAL CG1 C 13 22.157 0.200 . 1 . . . . 17 VAL CG1 . 19714 1 244 . 1 1 20 20 VAL CG2 C 13 23.645 0.200 . 1 . . . . 17 VAL CG2 . 19714 1 245 . 1 1 20 20 VAL N N 15 120.001 0.200 . 1 . . . . 17 VAL N . 19714 1 246 . 1 1 21 21 LEU H H 1 8.384 0.020 . 1 . . . . 18 LEU HN . 19714 1 247 . 1 1 21 21 LEU HA H 1 4.012 0.020 . 1 . . . . 18 LEU HA . 19714 1 248 . 1 1 21 21 LEU HB2 H 1 1.977 0.020 . 2 . . . . 18 LEU HB2 . 19714 1 249 . 1 1 21 21 LEU HB3 H 1 1.391 0.020 . 2 . . . . 18 LEU HB3 . 19714 1 250 . 1 1 21 21 LEU HG H 1 1.913 0.020 . 1 . . . . 18 LEU HG . 19714 1 251 . 1 1 21 21 LEU HD11 H 1 0.792 0.020 . 2 . . . . 18 LEU HD11 . 19714 1 252 . 1 1 21 21 LEU HD12 H 1 0.792 0.020 . 2 . . . . 18 LEU HD11 . 19714 1 253 . 1 1 21 21 LEU HD13 H 1 0.792 0.020 . 2 . . . . 18 LEU HD11 . 19714 1 254 . 1 1 21 21 LEU HD21 H 1 0.815 0.020 . 2 . . . . 18 LEU HD21 . 19714 1 255 . 1 1 21 21 LEU HD22 H 1 0.815 0.020 . 2 . . . . 18 LEU HD21 . 19714 1 256 . 1 1 21 21 LEU HD23 H 1 0.815 0.020 . 2 . . . . 18 LEU HD21 . 19714 1 257 . 1 1 21 21 LEU C C 13 178.601 0.200 . 1 . . . . 18 LEU C . 19714 1 258 . 1 1 21 21 LEU CA C 13 58.130 0.200 . 1 . . . . 18 LEU CA . 19714 1 259 . 1 1 21 21 LEU CB C 13 42.045 0.200 . 1 . . . . 18 LEU CB . 19714 1 260 . 1 1 21 21 LEU CG C 13 26.892 0.200 . 1 . . . . 18 LEU CG . 19714 1 261 . 1 1 21 21 LEU CD1 C 13 26.129 0.200 . 1 . . . . 18 LEU CD1 . 19714 1 262 . 1 1 21 21 LEU CD2 C 13 23.461 0.200 . 1 . . . . 18 LEU CD2 . 19714 1 263 . 1 1 21 21 LEU N N 15 120.178 0.200 . 1 . . . . 18 LEU N . 19714 1 264 . 1 1 22 22 LEU H H 1 8.238 0.020 . 1 . . . . 19 LEU HN . 19714 1 265 . 1 1 22 22 LEU HA H 1 4.018 0.020 . 1 . . . . 19 LEU HA . 19714 1 266 . 1 1 22 22 LEU HB2 H 1 1.614 0.020 . 2 . . . . 19 LEU HB2 . 19714 1 267 . 1 1 22 22 LEU HB3 H 1 0.865 0.020 . 2 . . . . 19 LEU HB3 . 19714 1 268 . 1 1 22 22 LEU HG H 1 1.641 0.020 . 1 . . . . 19 LEU HG . 19714 1 269 . 1 1 22 22 LEU HD11 H 1 0.710 0.020 . 2 . . . . 19 LEU HD11 . 19714 1 270 . 1 1 22 22 LEU HD12 H 1 0.710 0.020 . 2 . . . . 19 LEU HD11 . 19714 1 271 . 1 1 22 22 LEU HD13 H 1 0.710 0.020 . 2 . . . . 19 LEU HD11 . 19714 1 272 . 1 1 22 22 LEU HD21 H 1 0.664 0.020 . 2 . . . . 19 LEU HD21 . 19714 1 273 . 1 1 22 22 LEU HD22 H 1 0.664 0.020 . 2 . . . . 19 LEU HD21 . 19714 1 274 . 1 1 22 22 LEU HD23 H 1 0.664 0.020 . 2 . . . . 19 LEU HD21 . 19714 1 275 . 1 1 22 22 LEU C C 13 178.292 0.200 . 1 . . . . 19 LEU C . 19714 1 276 . 1 1 22 22 LEU CA C 13 57.831 0.200 . 1 . . . . 19 LEU CA . 19714 1 277 . 1 1 22 22 LEU CB C 13 42.747 0.200 . 1 . . . . 19 LEU CB . 19714 1 278 . 1 1 22 22 LEU CG C 13 26.899 0.200 . 1 . . . . 19 LEU CG . 19714 1 279 . 1 1 22 22 LEU CD1 C 13 25.721 0.200 . 1 . . . . 19 LEU CD1 . 19714 1 280 . 1 1 22 22 LEU CD2 C 13 23.628 0.200 . 1 . . . . 19 LEU CD2 . 19714 1 281 . 1 1 22 22 LEU N N 15 117.201 0.200 . 1 . . . . 19 LEU N . 19714 1 282 . 1 1 23 23 PHE H H 1 8.367 0.020 . 1 . . . . 20 PHE HN . 19714 1 283 . 1 1 23 23 PHE HA H 1 4.593 0.020 . 1 . . . . 20 PHE HA . 19714 1 284 . 1 1 23 23 PHE HB2 H 1 2.989 0.020 . 2 . . . . 20 PHE HB2 . 19714 1 285 . 1 1 23 23 PHE HB3 H 1 3.173 0.020 . 2 . . . . 20 PHE HB3 . 19714 1 286 . 1 1 23 23 PHE HD1 H 1 7.411 0.020 . 3 . . . . 20 PHE HD1 . 19714 1 287 . 1 1 23 23 PHE HE1 H 1 7.203 0.020 . 1 . . . . 20 PHE HE1 . 19714 1 288 . 1 1 23 23 PHE HZ H 1 7.121 0.020 . 1 . . . . 20 PHE HZ . 19714 1 289 . 1 1 23 23 PHE C C 13 177.688 0.200 . 1 . . . . 20 PHE C . 19714 1 290 . 1 1 23 23 PHE CA C 13 59.633 0.200 . 1 . . . . 20 PHE CA . 19714 1 291 . 1 1 23 23 PHE CB C 13 40.360 0.200 . 1 . . . . 20 PHE CB . 19714 1 292 . 1 1 23 23 PHE CD1 C 13 132.368 0.200 . 3 . . . . 20 PHE CD1 . 19714 1 293 . 1 1 23 23 PHE CE1 C 13 130.841 0.200 . 3 . . . . 20 PHE CE1 . 19714 1 294 . 1 1 23 23 PHE CZ C 13 129.130 0.200 . 1 . . . . 20 PHE CZ . 19714 1 295 . 1 1 23 23 PHE N N 15 115.062 0.200 . 1 . . . . 20 PHE N . 19714 1 296 . 1 1 24 24 GLY H H 1 8.524 0.020 . 1 . . . . 21 GLY HN . 19714 1 297 . 1 1 24 24 GLY HA2 H 1 4.178 0.020 . 2 . . . . 21 GLY HA2 . 19714 1 298 . 1 1 24 24 GLY HA3 H 1 4.090 0.020 . 2 . . . . 21 GLY HA3 . 19714 1 299 . 1 1 24 24 GLY C C 13 173.898 0.200 . 1 . . . . 21 GLY C . 19714 1 300 . 1 1 24 24 GLY CA C 13 45.684 0.200 . 1 . . . . 21 GLY CA . 19714 1 301 . 1 1 24 24 GLY N N 15 109.299 0.200 . 1 . . . . 21 GLY N . 19714 1 302 . 1 1 25 25 THR H H 1 8.315 0.020 . 1 . . . . 22 THR HN . 19714 1 303 . 1 1 25 25 THR HA H 1 4.080 0.020 . 1 . . . . 22 THR HA . 19714 1 304 . 1 1 25 25 THR HB H 1 4.265 0.020 . 1 . . . . 22 THR HB . 19714 1 305 . 1 1 25 25 THR HG21 H 1 1.265 0.020 . 1 . . . . 22 THR HG21 . 19714 1 306 . 1 1 25 25 THR HG22 H 1 1.265 0.020 . 1 . . . . 22 THR HG21 . 19714 1 307 . 1 1 25 25 THR HG23 H 1 1.265 0.020 . 1 . . . . 22 THR HG21 . 19714 1 308 . 1 1 25 25 THR CA C 13 64.462 0.200 . 1 . . . . 22 THR CA . 19714 1 309 . 1 1 25 25 THR CB C 13 69.150 0.200 . 1 . . . . 22 THR CB . 19714 1 310 . 1 1 25 25 THR CG2 C 13 22.670 0.200 . 1 . . . . 22 THR CG2 . 19714 1 311 . 1 1 25 25 THR N N 15 110.876 0.200 . 1 . . . . 22 THR N . 19714 1 312 . 1 1 26 26 LYS H H 1 8.165 0.020 . 1 . . . . 23 LYS HN . 19714 1 313 . 1 1 26 26 LYS HA H 1 4.169 0.020 . 1 . . . . 23 LYS HA . 19714 1 314 . 1 1 26 26 LYS HB2 H 1 1.899 0.020 . 2 . . . . 23 LYS HB2 . 19714 1 315 . 1 1 26 26 LYS HB3 H 1 1.899 0.020 . 2 . . . . 23 LYS HB3 . 19714 1 316 . 1 1 26 26 LYS HG2 H 1 1.460 0.020 . 2 . . . . 23 LYS HG2 . 19714 1 317 . 1 1 26 26 LYS HG3 H 1 1.460 0.020 . 2 . . . . 23 LYS HG3 . 19714 1 318 . 1 1 26 26 LYS HD2 H 1 1.691 0.020 . 2 . . . . 23 LYS HD2 . 19714 1 319 . 1 1 26 26 LYS HD3 H 1 1.691 0.020 . 2 . . . . 23 LYS HD3 . 19714 1 320 . 1 1 26 26 LYS HE2 H 1 2.974 0.020 . 2 . . . . 23 LYS HE2 . 19714 1 321 . 1 1 26 26 LYS HE3 H 1 2.974 0.020 . 2 . . . . 23 LYS HE3 . 19714 1 322 . 1 1 26 26 LYS C C 13 178.679 0.200 . 1 . . . . 23 LYS C . 19714 1 323 . 1 1 26 26 LYS CA C 13 58.617 0.200 . 1 . . . . 23 LYS CA . 19714 1 324 . 1 1 26 26 LYS CB C 13 31.950 0.200 . 1 . . . . 23 LYS CB . 19714 1 325 . 1 1 26 26 LYS CG C 13 24.970 0.200 . 1 . . . . 23 LYS CG . 19714 1 326 . 1 1 26 26 LYS CD C 13 29.100 0.200 . 1 . . . . 23 LYS CD . 19714 1 327 . 1 1 26 26 LYS CE C 13 42.160 0.200 . 1 . . . . 23 LYS CE . 19714 1 328 . 1 1 26 26 LYS N N 15 121.733 0.200 . 1 . . . . 23 LYS N . 19714 1 329 . 1 1 27 27 LYS H H 1 8.177 0.020 . 1 . . . . 24 LYS HN . 19714 1 330 . 1 1 27 27 LYS HA H 1 4.246 0.020 . 1 . . . . 24 LYS HA . 19714 1 331 . 1 1 27 27 LYS HB2 H 1 1.813 0.020 . 2 . . . . 24 LYS HB2 . 19714 1 332 . 1 1 27 27 LYS HB3 H 1 1.813 0.020 . 2 . . . . 24 LYS HB3 . 19714 1 333 . 1 1 27 27 LYS HG2 H 1 1.424 0.020 . 2 . . . . 24 LYS HG2 . 19714 1 334 . 1 1 27 27 LYS HG3 H 1 1.424 0.020 . 2 . . . . 24 LYS HG3 . 19714 1 335 . 1 1 27 27 LYS HD2 H 1 1.701 0.020 . 2 . . . . 24 LYS HD2 . 19714 1 336 . 1 1 27 27 LYS HD3 H 1 1.701 0.020 . 2 . . . . 24 LYS HD3 . 19714 1 337 . 1 1 27 27 LYS HE2 H 1 2.882 0.020 . 2 . . . . 24 LYS HE2 . 19714 1 338 . 1 1 27 27 LYS HE3 H 1 2.882 0.020 . 2 . . . . 24 LYS HE3 . 19714 1 339 . 1 1 27 27 LYS C C 13 177.769 0.200 . 1 . . . . 24 LYS C . 19714 1 340 . 1 1 27 27 LYS CA C 13 57.026 0.200 . 1 . . . . 24 LYS CA . 19714 1 341 . 1 1 27 27 LYS CB C 13 32.375 0.200 . 1 . . . . 24 LYS CB . 19714 1 342 . 1 1 27 27 LYS CG C 13 24.980 0.200 . 1 . . . . 24 LYS CG . 19714 1 343 . 1 1 27 27 LYS CD C 13 28.569 0.200 . 1 . . . . 24 LYS CD . 19714 1 344 . 1 1 27 27 LYS CE C 13 42.138 0.200 . 1 . . . . 24 LYS CE . 19714 1 345 . 1 1 27 27 LYS N N 15 119.113 0.200 . 1 . . . . 24 LYS N . 19714 1 346 . 1 1 28 28 LEU H H 1 7.738 0.020 . 1 . . . . 25 LEU HN . 19714 1 347 . 1 1 28 28 LEU HA H 1 4.105 0.020 . 1 . . . . 25 LEU HA . 19714 1 348 . 1 1 28 28 LEU HB2 H 1 1.711 0.020 . 2 . . . . 25 LEU HB2 . 19714 1 349 . 1 1 28 28 LEU HB3 H 1 1.549 0.020 . 2 . . . . 25 LEU HB3 . 19714 1 350 . 1 1 28 28 LEU HG H 1 1.745 0.020 . 1 . . . . 25 LEU HG . 19714 1 351 . 1 1 28 28 LEU HD11 H 1 0.866 0.020 . 2 . . . . 25 LEU HD11 . 19714 1 352 . 1 1 28 28 LEU HD12 H 1 0.866 0.020 . 2 . . . . 25 LEU HD11 . 19714 1 353 . 1 1 28 28 LEU HD13 H 1 0.866 0.020 . 2 . . . . 25 LEU HD11 . 19714 1 354 . 1 1 28 28 LEU HD21 H 1 0.784 0.020 . 2 . . . . 25 LEU HD21 . 19714 1 355 . 1 1 28 28 LEU HD22 H 1 0.784 0.020 . 2 . . . . 25 LEU HD21 . 19714 1 356 . 1 1 28 28 LEU HD23 H 1 0.784 0.020 . 2 . . . . 25 LEU HD21 . 19714 1 357 . 1 1 28 28 LEU C C 13 177.853 0.200 . 1 . . . . 25 LEU C . 19714 1 358 . 1 1 28 28 LEU CA C 13 56.799 0.200 . 1 . . . . 25 LEU CA . 19714 1 359 . 1 1 28 28 LEU CB C 13 41.861 0.200 . 1 . . . . 25 LEU CB . 19714 1 360 . 1 1 28 28 LEU CG C 13 27.139 0.200 . 1 . . . . 25 LEU CG . 19714 1 361 . 1 1 28 28 LEU CD1 C 13 25.658 0.200 . 2 . . . . 25 LEU CD1 . 19714 1 362 . 1 1 28 28 LEU CD2 C 13 23.881 0.200 . 1 . . . . 25 LEU CD2 . 19714 1 363 . 1 1 28 28 LEU N N 15 118.710 0.200 . 1 . . . . 25 LEU N . 19714 1 364 . 1 1 29 29 GLY H H 1 8.185 0.020 . 1 . . . . 26 GLY HN . 19714 1 365 . 1 1 29 29 GLY HA2 H 1 3.835 0.020 . 2 . . . . 26 GLY HA2 . 19714 1 366 . 1 1 29 29 GLY C C 13 175.107 0.200 . 1 . . . . 26 GLY C . 19714 1 367 . 1 1 29 29 GLY CA C 13 46.626 0.200 . 1 . . . . 26 GLY CA . 19714 1 368 . 1 1 29 29 GLY N N 15 105.786 0.200 . 1 . . . . 26 GLY N . 19714 1 369 . 1 1 30 30 SER H H 1 8.002 0.020 . 1 . . . . 27 SER HN . 19714 1 370 . 1 1 30 30 SER HA H 1 4.429 0.020 . 1 . . . . 27 SER HA . 19714 1 371 . 1 1 30 30 SER HB2 H 1 3.943 0.020 . 2 . . . . 27 SER HB2 . 19714 1 372 . 1 1 30 30 SER HB3 H 1 3.943 0.020 . 2 . . . . 27 SER HB3 . 19714 1 373 . 1 1 30 30 SER C C 13 175.580 0.200 . 1 . . . . 27 SER C . 19714 1 374 . 1 1 30 30 SER CA C 13 59.859 0.200 . 1 . . . . 27 SER CA . 19714 1 375 . 1 1 30 30 SER CB C 13 63.588 0.200 . 1 . . . . 27 SER CB . 19714 1 376 . 1 1 30 30 SER N N 15 116.647 0.200 . 1 . . . . 27 SER N . 19714 1 377 . 1 1 31 31 ILE H H 1 7.827 0.020 . 1 . . . . 28 ILE HN . 19714 1 378 . 1 1 31 31 ILE HA H 1 4.051 0.020 . 1 . . . . 28 ILE HA . 19714 1 379 . 1 1 31 31 ILE HB H 1 1.950 0.020 . 1 . . . . 28 ILE HB . 19714 1 380 . 1 1 31 31 ILE HG12 H 1 1.608 0.020 . 1 . . . . 28 ILE HG12 . 19714 1 381 . 1 1 31 31 ILE HG13 H 1 1.220 0.020 . 1 . . . . 28 ILE HG13 . 19714 1 382 . 1 1 31 31 ILE HG21 H 1 0.905 0.020 . 1 . . . . 28 ILE HG21 . 19714 1 383 . 1 1 31 31 ILE HG22 H 1 0.905 0.020 . 1 . . . . 28 ILE HG21 . 19714 1 384 . 1 1 31 31 ILE HG23 H 1 0.905 0.020 . 1 . . . . 28 ILE HG21 . 19714 1 385 . 1 1 31 31 ILE HD11 H 1 0.817 0.020 . 1 . . . . 28 ILE HD11 . 19714 1 386 . 1 1 31 31 ILE HD12 H 1 0.817 0.020 . 1 . . . . 28 ILE HD11 . 19714 1 387 . 1 1 31 31 ILE HD13 H 1 0.817 0.020 . 1 . . . . 28 ILE HD11 . 19714 1 388 . 1 1 31 31 ILE C C 13 176.862 0.200 . 1 . . . . 28 ILE C . 19714 1 389 . 1 1 31 31 ILE CA C 13 63.136 0.200 . 1 . . . . 28 ILE CA . 19714 1 390 . 1 1 31 31 ILE CB C 13 38.311 0.200 . 1 . . . . 28 ILE CB . 19714 1 391 . 1 1 31 31 ILE CG1 C 13 28.155 0.200 . 1 . . . . 28 ILE CG1 . 19714 1 392 . 1 1 31 31 ILE CG2 C 13 17.856 0.200 . 1 . . . . 28 ILE CG2 . 19714 1 393 . 1 1 31 31 ILE CD1 C 13 13.830 0.200 . 1 . . . . 28 ILE CD1 . 19714 1 394 . 1 1 31 31 ILE N N 15 121.380 0.200 . 1 . . . . 28 ILE N . 19714 1 395 . 1 1 32 32 GLY H H 1 8.324 0.020 . 1 . . . . 29 GLY HN . 19714 1 396 . 1 1 32 32 GLY HA2 H 1 3.830 0.020 . 2 . . . . 29 GLY HA2 . 19714 1 397 . 1 1 32 32 GLY HA3 H 1 3.830 0.020 . 2 . . . . 29 GLY HA3 . 19714 1 398 . 1 1 32 32 GLY C C 13 174.553 0.200 . 1 . . . . 29 GLY C . 19714 1 399 . 1 1 32 32 GLY CA C 13 46.515 0.200 . 1 . . . . 29 GLY CA . 19714 1 400 . 1 1 32 32 GLY N N 15 108.611 0.200 . 1 . . . . 29 GLY N . 19714 1 401 . 1 1 33 33 SER H H 1 8.007 0.020 . 1 . . . . 30 SER HN . 19714 1 402 . 1 1 33 33 SER HA H 1 4.286 0.020 . 1 . . . . 30 SER HA . 19714 1 403 . 1 1 33 33 SER HB2 H 1 3.930 0.020 . 2 . . . . 30 SER HB2 . 19714 1 404 . 1 1 33 33 SER HB3 H 1 3.930 0.020 . 2 . . . . 30 SER HB3 . 19714 1 405 . 1 1 33 33 SER C C 13 175.646 0.200 . 1 . . . . 30 SER C . 19714 1 406 . 1 1 33 33 SER CA C 13 60.592 0.200 . 1 . . . . 30 SER CA . 19714 1 407 . 1 1 33 33 SER CB C 13 63.449 0.200 . 1 . . . . 30 SER CB . 19714 1 408 . 1 1 33 33 SER N N 15 115.814 0.200 . 1 . . . . 30 SER N . 19714 1 409 . 1 1 34 34 ASP H H 1 8.215 0.020 . 1 . . . . 31 ASP HN . 19714 1 410 . 1 1 34 34 ASP HA H 1 4.613 0.020 . 1 . . . . 31 ASP HA . 19714 1 411 . 1 1 34 34 ASP HB2 H 1 2.663 0.020 . 2 . . . . 31 ASP HB2 . 19714 1 412 . 1 1 34 34 ASP HB3 H 1 2.727 0.020 . 2 . . . . 31 ASP HB3 . 19714 1 413 . 1 1 34 34 ASP C C 13 177.612 0.200 . 1 . . . . 31 ASP C . 19714 1 414 . 1 1 34 34 ASP CA C 13 55.138 0.200 . 1 . . . . 31 ASP CA . 19714 1 415 . 1 1 34 34 ASP CB C 13 40.847 0.200 . 1 . . . . 31 ASP CB . 19714 1 416 . 1 1 34 34 ASP N N 15 122.484 0.200 . 1 . . . . 31 ASP N . 19714 1 417 . 1 1 35 35 LEU H H 1 8.367 0.020 . 1 . . . . 32 LEU HN . 19714 1 418 . 1 1 35 35 LEU HA H 1 4.146 0.020 . 1 . . . . 32 LEU HA . 19714 1 419 . 1 1 35 35 LEU HB2 H 1 1.789 0.020 . 2 . . . . 32 LEU HB2 . 19714 1 420 . 1 1 35 35 LEU HB3 H 1 1.609 0.020 . 2 . . . . 32 LEU HB3 . 19714 1 421 . 1 1 35 35 LEU HG H 1 1.755 0.020 . 1 . . . . 32 LEU HG . 19714 1 422 . 1 1 35 35 LEU HD11 H 1 0.902 0.020 . 2 . . . . 32 LEU HD11 . 19714 1 423 . 1 1 35 35 LEU HD12 H 1 0.902 0.020 . 2 . . . . 32 LEU HD11 . 19714 1 424 . 1 1 35 35 LEU HD13 H 1 0.902 0.020 . 2 . . . . 32 LEU HD11 . 19714 1 425 . 1 1 35 35 LEU HD21 H 1 0.867 0.020 . 2 . . . . 32 LEU HD21 . 19714 1 426 . 1 1 35 35 LEU HD22 H 1 0.867 0.020 . 2 . . . . 32 LEU HD21 . 19714 1 427 . 1 1 35 35 LEU HD23 H 1 0.867 0.020 . 2 . . . . 32 LEU HD21 . 19714 1 428 . 1 1 35 35 LEU C C 13 178.626 0.200 . 1 . . . . 32 LEU C . 19714 1 429 . 1 1 35 35 LEU CA C 13 57.452 0.200 . 1 . . . . 32 LEU CA . 19714 1 430 . 1 1 35 35 LEU CB C 13 42.282 0.200 . 1 . . . . 32 LEU CB . 19714 1 431 . 1 1 35 35 LEU CG C 13 27.151 0.200 . 1 . . . . 32 LEU CG . 19714 1 432 . 1 1 35 35 LEU CD1 C 13 25.151 0.200 . 1 . . . . 32 LEU CD1 . 19714 1 433 . 1 1 35 35 LEU CD2 C 13 24.432 0.200 . 1 . . . . 32 LEU CD2 . 19714 1 434 . 1 1 35 35 LEU N N 15 123.008 0.200 . 1 . . . . 32 LEU N . 19714 1 435 . 1 1 36 36 GLY H H 1 8.529 0.020 . 1 . . . . 33 GLY HN . 19714 1 436 . 1 1 36 36 GLY HA2 H 1 3.974 0.020 . 2 . . . . 33 GLY HA2 . 19714 1 437 . 1 1 36 36 GLY HA3 H 1 3.686 0.020 . 2 . . . . 33 GLY HA3 . 19714 1 438 . 1 1 36 36 GLY C C 13 175.581 0.200 . 1 . . . . 33 GLY C . 19714 1 439 . 1 1 36 36 GLY CA C 13 47.247 0.200 . 1 . . . . 33 GLY CA . 19714 1 440 . 1 1 36 36 GLY N N 15 107.193 0.200 . 1 . . . . 33 GLY N . 19714 1 441 . 1 1 37 37 ALA H H 1 8.012 0.020 . 1 . . . . 34 ALA HN . 19714 1 442 . 1 1 37 37 ALA HA H 1 4.168 0.020 . 1 . . . . 34 ALA HA . 19714 1 443 . 1 1 37 37 ALA HB1 H 1 1.458 0.020 . 1 . . . . 34 ALA HB3 . 19714 1 444 . 1 1 37 37 ALA HB2 H 1 1.458 0.020 . 1 . . . . 34 ALA HB3 . 19714 1 445 . 1 1 37 37 ALA HB3 H 1 1.458 0.020 . 1 . . . . 34 ALA HB3 . 19714 1 446 . 1 1 37 37 ALA C C 13 180.146 0.200 . 1 . . . . 34 ALA C . 19714 1 447 . 1 1 37 37 ALA CA C 13 54.443 0.200 . 1 . . . . 34 ALA CA . 19714 1 448 . 1 1 37 37 ALA CB C 13 18.672 0.200 . 1 . . . . 34 ALA CB . 19714 1 449 . 1 1 37 37 ALA N N 15 123.643 0.200 . 1 . . . . 34 ALA N . 19714 1 450 . 1 1 38 38 SER H H 1 8.008 0.020 . 1 . . . . 35 SER HN . 19714 1 451 . 1 1 38 38 SER HA H 1 4.348 0.020 . 1 . . . . 35 SER HA . 19714 1 452 . 1 1 38 38 SER HB2 H 1 3.825 0.020 . 2 . . . . 35 SER HB2 . 19714 1 453 . 1 1 38 38 SER HB3 H 1 4.036 0.020 . 2 . . . . 35 SER HB3 . 19714 1 454 . 1 1 38 38 SER C C 13 175.702 0.200 . 1 . . . . 35 SER C . 19714 1 455 . 1 1 38 38 SER CA C 13 61.336 0.200 . 1 . . . . 35 SER CA . 19714 1 456 . 1 1 38 38 SER CB C 13 63.445 0.200 . 1 . . . . 35 SER CB . 19714 1 457 . 1 1 38 38 SER N N 15 115.793 0.200 . 1 . . . . 35 SER N . 19714 1 458 . 1 1 39 39 ILE H H 1 8.176 0.020 . 1 . . . . 36 ILE HN . 19714 1 459 . 1 1 39 39 ILE HA H 1 3.855 0.020 . 1 . . . . 36 ILE HA . 19714 1 460 . 1 1 39 39 ILE HB H 1 1.992 0.020 . 1 . . . . 36 ILE HB . 19714 1 461 . 1 1 39 39 ILE HG12 H 1 1.701 0.020 . 9 . . . . 36 ILE HG12 . 19714 1 462 . 1 1 39 39 ILE HG13 H 1 1.166 0.020 . 1 . . . . 36 ILE HG13 . 19714 1 463 . 1 1 39 39 ILE HG21 H 1 0.935 0.020 . 1 . . . . 36 ILE HG21 . 19714 1 464 . 1 1 39 39 ILE HG22 H 1 0.935 0.020 . 1 . . . . 36 ILE HG21 . 19714 1 465 . 1 1 39 39 ILE HG23 H 1 0.935 0.020 . 1 . . . . 36 ILE HG21 . 19714 1 466 . 1 1 39 39 ILE HD11 H 1 0.838 0.020 . 1 . . . . 36 ILE HD11 . 19714 1 467 . 1 1 39 39 ILE HD12 H 1 0.838 0.020 . 1 . . . . 36 ILE HD11 . 19714 1 468 . 1 1 39 39 ILE HD13 H 1 0.838 0.020 . 1 . . . . 36 ILE HD11 . 19714 1 469 . 1 1 39 39 ILE C C 13 177.238 0.200 . 1 . . . . 36 ILE C . 19714 1 470 . 1 1 39 39 ILE CA C 13 64.379 0.200 . 1 . . . . 36 ILE CA . 19714 1 471 . 1 1 39 39 ILE CB C 13 37.841 0.200 . 1 . . . . 36 ILE CB . 19714 1 472 . 1 1 39 39 ILE CG1 C 13 28.920 0.200 . 1 . . . . 36 ILE CG1 . 19714 1 473 . 1 1 39 39 ILE CG2 C 13 17.852 0.200 . 1 . . . . 36 ILE CG2 . 19714 1 474 . 1 1 39 39 ILE CD1 C 13 13.493 0.200 . 1 . . . . 36 ILE CD1 . 19714 1 475 . 1 1 39 39 ILE N N 15 121.860 0.200 . 1 . . . . 36 ILE N . 19714 1 476 . 1 1 40 40 LYS H H 1 8.043 0.020 . 1 . . . . 37 LYS HN . 19714 1 477 . 1 1 40 40 LYS HA H 1 3.998 0.020 . 1 . . . . 37 LYS HA . 19714 1 478 . 1 1 40 40 LYS HB2 H 1 1.870 0.020 . 2 . . . . 37 LYS HB2 . 19714 1 479 . 1 1 40 40 LYS HB3 H 1 1.870 0.020 . 2 . . . . 37 LYS HB3 . 19714 1 480 . 1 1 40 40 LYS HG2 H 1 1.430 0.020 . 2 . . . . 37 LYS HG2 . 19714 1 481 . 1 1 40 40 LYS HG3 H 1 1.567 0.020 . 2 . . . . 37 LYS HG3 . 19714 1 482 . 1 1 40 40 LYS HD2 H 1 1.688 0.020 . 2 . . . . 37 LYS HD2 . 19714 1 483 . 1 1 40 40 LYS HD3 H 1 1.688 0.020 . 2 . . . . 37 LYS HD3 . 19714 1 484 . 1 1 40 40 LYS HE2 H 1 2.938 0.020 . 2 . . . . 37 LYS HE2 . 19714 1 485 . 1 1 40 40 LYS HE3 H 1 2.938 0.020 . 2 . . . . 37 LYS HE3 . 19714 1 486 . 1 1 40 40 LYS C C 13 178.860 0.200 . 1 . . . . 37 LYS C . 19714 1 487 . 1 1 40 40 LYS CA C 13 59.559 0.200 . 1 . . . . 37 LYS CA . 19714 1 488 . 1 1 40 40 LYS CB C 13 32.374 0.200 . 1 . . . . 37 LYS CB . 19714 1 489 . 1 1 40 40 LYS CG C 13 25.272 0.200 . 1 . . . . 37 LYS CG . 19714 1 490 . 1 1 40 40 LYS CD C 13 29.290 0.200 . 1 . . . . 37 LYS CD . 19714 1 491 . 1 1 40 40 LYS CE C 13 42.155 0.200 . 1 . . . . 37 LYS CE . 19714 1 492 . 1 1 40 40 LYS N N 15 120.804 0.200 . 1 . . . . 37 LYS N . 19714 1 493 . 1 1 41 41 GLY H H 1 8.151 0.020 . 1 . . . . 38 GLY HN . 19714 1 494 . 1 1 41 41 GLY HA2 H 1 3.904 0.020 . 2 . . . . 38 GLY HA2 . 19714 1 495 . 1 1 41 41 GLY HA3 H 1 3.904 0.020 . 2 . . . . 38 GLY HA3 . 19714 1 496 . 1 1 41 41 GLY C C 13 175.794 0.200 . 1 . . . . 38 GLY C . 19714 1 497 . 1 1 41 41 GLY CA C 13 46.519 0.200 . 1 . . . . 38 GLY CA . 19714 1 498 . 1 1 41 41 GLY N N 15 107.461 0.200 . 1 . . . . 38 GLY N . 19714 1 499 . 1 1 42 42 PHE H H 1 8.079 0.020 . 1 . . . . 39 PHE HN . 19714 1 500 . 1 1 42 42 PHE HA H 1 4.383 0.020 . 1 . . . . 39 PHE HA . 19714 1 501 . 1 1 42 42 PHE HB2 H 1 3.188 0.020 . 2 . . . . 39 PHE HB2 . 19714 1 502 . 1 1 42 42 PHE HB3 H 1 3.188 0.020 . 2 . . . . 39 PHE HB3 . 19714 1 503 . 1 1 42 42 PHE HD1 H 1 7.189 0.020 . 3 . . . . 39 PHE HD1 . 19714 1 504 . 1 1 42 42 PHE HD2 H 1 7.185 0.020 . 3 . . . . 39 PHE HD2 . 19714 1 505 . 1 1 42 42 PHE HE1 H 1 7.219 0.020 . 1 . . . . 39 PHE HE1 . 19714 1 506 . 1 1 42 42 PHE HZ H 1 7.147 0.020 . 1 . . . . 39 PHE HZ . 19714 1 507 . 1 1 42 42 PHE C C 13 176.506 0.200 . 1 . . . . 39 PHE C . 19714 1 508 . 1 1 42 42 PHE CA C 13 60.157 0.200 . 1 . . . . 39 PHE CA . 19714 1 509 . 1 1 42 42 PHE CB C 13 39.341 0.200 . 1 . . . . 39 PHE CB . 19714 1 510 . 1 1 42 42 PHE CD1 C 13 131.269 0.200 . 3 . . . . 39 PHE CD1 . 19714 1 511 . 1 1 42 42 PHE CD2 C 13 131.922 0.200 . 3 . . . . 39 PHE CD2 . 19714 1 512 . 1 1 42 42 PHE CE1 C 13 131.464 0.200 . 3 . . . . 39 PHE CE1 . 19714 1 513 . 1 1 42 42 PHE CZ C 13 129.360 0.200 . 1 . . . . 39 PHE CZ . 19714 1 514 . 1 1 42 42 PHE N N 15 122.656 0.200 . 1 . . . . 39 PHE N . 19714 1 515 . 1 1 43 43 LYS H H 1 8.195 0.020 . 1 . . . . 40 LYS HN . 19714 1 516 . 1 1 43 43 LYS HA H 1 3.925 0.020 . 1 . . . . 40 LYS HA . 19714 1 517 . 1 1 43 43 LYS HB2 H 1 1.928 0.020 . 2 . . . . 40 LYS HB2 . 19714 1 518 . 1 1 43 43 LYS HB3 H 1 1.839 0.020 . 2 . . . . 40 LYS HB3 . 19714 1 519 . 1 1 43 43 LYS HG2 H 1 1.552 0.020 . 2 . . . . 40 LYS HG2 . 19714 1 520 . 1 1 43 43 LYS HG3 H 1 1.407 0.020 . 2 . . . . 40 LYS HG3 . 19714 1 521 . 1 1 43 43 LYS HD2 H 1 1.681 0.020 . 2 . . . . 40 LYS HD2 . 19714 1 522 . 1 1 43 43 LYS HD3 H 1 1.681 0.020 . 2 . . . . 40 LYS HD3 . 19714 1 523 . 1 1 43 43 LYS HE2 H 1 2.926 0.020 . 2 . . . . 40 LYS HE2 . 19714 1 524 . 1 1 43 43 LYS HE3 H 1 2.926 0.020 . 2 . . . . 40 LYS HE3 . 19714 1 525 . 1 1 43 43 LYS C C 13 178.275 0.200 . 1 . . . . 40 LYS C . 19714 1 526 . 1 1 43 43 LYS CA C 13 58.940 0.200 . 1 . . . . 40 LYS CA . 19714 1 527 . 1 1 43 43 LYS CB C 13 32.523 0.200 . 1 . . . . 40 LYS CB . 19714 1 528 . 1 1 43 43 LYS CG C 13 25.400 0.200 . 1 . . . . 40 LYS CG . 19714 1 529 . 1 1 43 43 LYS CD C 13 29.590 0.200 . 1 . . . . 40 LYS CD . 19714 1 530 . 1 1 43 43 LYS CE C 13 41.990 0.200 . 1 . . . . 40 LYS CE . 19714 1 531 . 1 1 43 43 LYS N N 15 119.571 0.200 . 1 . . . . 40 LYS N . 19714 1 532 . 1 1 44 44 LYS H H 1 7.997 0.020 . 1 . . . . 41 LYS HN . 19714 1 533 . 1 1 44 44 LYS HA H 1 4.109 0.020 . 1 . . . . 41 LYS HA . 19714 1 534 . 1 1 44 44 LYS HB2 H 1 1.873 0.020 . 2 . . . . 41 LYS HB2 . 19714 1 535 . 1 1 44 44 LYS HB3 H 1 1.873 0.020 . 2 . . . . 41 LYS HB3 . 19714 1 536 . 1 1 44 44 LYS HG2 H 1 1.511 0.020 . 2 . . . . 41 LYS HG2 . 19714 1 537 . 1 1 44 44 LYS HG3 H 1 1.455 0.020 . 2 . . . . 41 LYS HG3 . 19714 1 538 . 1 1 44 44 LYS HD2 H 1 1.680 0.020 . 2 . . . . 41 LYS HD2 . 19714 1 539 . 1 1 44 44 LYS HD3 H 1 1.680 0.020 . 2 . . . . 41 LYS HD3 . 19714 1 540 . 1 1 44 44 LYS HE2 H 1 2.976 0.020 . 2 . . . . 41 LYS HE2 . 19714 1 541 . 1 1 44 44 LYS HE3 H 1 2.976 0.020 . 2 . . . . 41 LYS HE3 . 19714 1 542 . 1 1 44 44 LYS C C 13 177.643 0.200 . 1 . . . . 41 LYS C . 19714 1 543 . 1 1 44 44 LYS CA C 13 58.105 0.200 . 1 . . . . 41 LYS CA . 19714 1 544 . 1 1 44 44 LYS CB C 13 32.604 0.200 . 1 . . . . 41 LYS CB . 19714 1 545 . 1 1 44 44 LYS CG C 13 24.807 0.200 . 1 . . . . 41 LYS CG . 19714 1 546 . 1 1 44 44 LYS CD C 13 29.100 0.200 . 1 . . . . 41 LYS CD . 19714 1 547 . 1 1 44 44 LYS CE C 13 42.100 0.200 . 1 . . . . 41 LYS CE . 19714 1 548 . 1 1 44 44 LYS N N 15 120.741 0.200 . 1 . . . . 41 LYS N . 19714 1 549 . 1 1 45 45 ALA H H 1 7.890 0.020 . 1 . . . . 42 ALA HN . 19714 1 550 . 1 1 45 45 ALA HA H 1 4.210 0.020 . 1 . . . . 42 ALA HA . 19714 1 551 . 1 1 45 45 ALA HB1 H 1 1.429 0.020 . 1 . . . . 42 ALA HB3 . 19714 1 552 . 1 1 45 45 ALA HB2 H 1 1.429 0.020 . 1 . . . . 42 ALA HB3 . 19714 1 553 . 1 1 45 45 ALA HB3 H 1 1.429 0.020 . 1 . . . . 42 ALA HB3 . 19714 1 554 . 1 1 45 45 ALA C C 13 178.279 0.200 . 1 . . . . 42 ALA C . 19714 1 555 . 1 1 45 45 ALA CA C 13 53.560 0.200 . 1 . . . . 42 ALA CA . 19714 1 556 . 1 1 45 45 ALA CB C 13 18.864 0.200 . 1 . . . . 42 ALA CB . 19714 1 557 . 1 1 45 45 ALA N N 15 122.597 0.200 . 1 . . . . 42 ALA N . 19714 1 558 . 1 1 46 46 MET H H 1 7.739 0.020 . 1 . . . . 43 MET HN . 19714 1 559 . 1 1 46 46 MET HA H 1 4.415 0.020 . 1 . . . . 43 MET HA . 19714 1 560 . 1 1 46 46 MET HB2 H 1 2.057 0.020 . 2 . . . . 43 MET HB2 . 19714 1 561 . 1 1 46 46 MET HB3 H 1 1.955 0.020 . 2 . . . . 43 MET HB3 . 19714 1 562 . 1 1 46 46 MET HG2 H 1 2.421 0.020 . 2 . . . . 43 MET HG2 . 19714 1 563 . 1 1 46 46 MET HG3 H 1 2.345 0.020 . 2 . . . . 43 MET HG3 . 19714 1 564 . 1 1 46 46 MET HE1 H 1 1.993 0.020 . 1 . . . . 43 MET HE1 . 19714 1 565 . 1 1 46 46 MET HE2 H 1 1.993 0.020 . 1 . . . . 43 MET HE1 . 19714 1 566 . 1 1 46 46 MET HE3 H 1 1.993 0.020 . 1 . . . . 43 MET HE1 . 19714 1 567 . 1 1 46 46 MET C C 13 176.199 0.200 . 1 . . . . 43 MET C . 19714 1 568 . 1 1 46 46 MET CA C 13 55.542 0.200 . 1 . . . . 43 MET CA . 19714 1 569 . 1 1 46 46 MET CB C 13 33.280 0.200 . 1 . . . . 43 MET CB . 19714 1 570 . 1 1 46 46 MET CG C 13 32.475 0.200 . 1 . . . . 43 MET CG . 19714 1 571 . 1 1 46 46 MET CE C 13 17.363 0.200 . 1 . . . . 43 MET CE . 19714 1 572 . 1 1 46 46 MET N N 15 115.813 0.200 . 1 . . . . 43 MET N . 19714 1 573 . 1 1 47 47 SER H H 1 7.807 0.020 . 1 . . . . 44 SER HN . 19714 1 574 . 1 1 47 47 SER HA H 1 4.463 0.020 . 1 . . . . 44 SER HA . 19714 1 575 . 1 1 47 47 SER HB2 H 1 3.873 0.020 . 2 . . . . 44 SER HB2 . 19714 1 576 . 1 1 47 47 SER HB3 H 1 3.873 0.020 . 2 . . . . 44 SER HB3 . 19714 1 577 . 1 1 47 47 SER C C 13 173.950 0.200 . 1 . . . . 44 SER C . 19714 1 578 . 1 1 47 47 SER CA C 13 58.536 0.200 . 1 . . . . 44 SER CA . 19714 1 579 . 1 1 47 47 SER CB C 13 64.380 0.200 . 1 . . . . 44 SER CB . 19714 1 580 . 1 1 47 47 SER N N 15 115.238 0.200 . 1 . . . . 44 SER N . 19714 1 581 . 1 1 48 48 ASP H H 1 8.285 0.020 . 1 . . . . 45 ASP HN . 19714 1 582 . 1 1 48 48 ASP HA H 1 4.568 0.020 . 1 . . . . 45 ASP HA . 19714 1 583 . 1 1 48 48 ASP HB2 H 1 2.692 0.020 . 2 . . . . 45 ASP HB2 . 19714 1 584 . 1 1 48 48 ASP HB3 H 1 2.590 0.020 . 2 . . . . 45 ASP HB3 . 19714 1 585 . 1 1 48 48 ASP C C 13 175.990 0.200 . 1 . . . . 45 ASP C . 19714 1 586 . 1 1 48 48 ASP CA C 13 54.264 0.200 . 1 . . . . 45 ASP CA . 19714 1 587 . 1 1 48 48 ASP CB C 13 41.410 0.200 . 1 . . . . 45 ASP CB . 19714 1 588 . 1 1 48 48 ASP N N 15 123.255 0.200 . 1 . . . . 45 ASP N . 19714 1 589 . 1 1 49 49 ASP H H 1 8.231 0.020 . 1 . . . . 46 ASP HN . 19714 1 590 . 1 1 49 49 ASP HA H 1 4.534 0.020 . 1 . . . . 46 ASP HA . 19714 1 591 . 1 1 49 49 ASP HB2 H 1 2.619 0.020 . 2 . . . . 46 ASP HB2 . 19714 1 592 . 1 1 49 49 ASP HB3 H 1 2.544 0.020 . 2 . . . . 46 ASP HB3 . 19714 1 593 . 1 1 49 49 ASP C C 13 176.060 0.200 . 1 . . . . 46 ASP C . 19714 1 594 . 1 1 49 49 ASP CA C 13 54.250 0.200 . 1 . . . . 46 ASP CA . 19714 1 595 . 1 1 49 49 ASP CB C 13 41.500 0.200 . 1 . . . . 46 ASP CB . 19714 1 596 . 1 1 49 49 ASP N N 15 121.477 0.200 . 1 . . . . 46 ASP N . 19714 1 597 . 1 1 50 50 GLU H H 1 8.155 0.020 . 1 . . . . 47 GLU HN . 19714 1 598 . 1 1 50 50 GLU HA H 1 4.528 0.020 . 1 . . . . 47 GLU HA . 19714 1 599 . 1 1 50 50 GLU HB2 H 1 1.991 0.020 . 2 . . . . 47 GLU HB2 . 19714 1 600 . 1 1 50 50 GLU HB3 H 1 1.896 0.020 . 2 . . . . 47 GLU HB3 . 19714 1 601 . 1 1 50 50 GLU HG2 H 1 2.228 0.020 . 2 . . . . 47 GLU HG2 . 19714 1 602 . 1 1 50 50 GLU HG3 H 1 2.262 0.020 . 2 . . . . 47 GLU HG3 . 19714 1 603 . 1 1 50 50 GLU CA C 13 54.651 0.200 . 1 . . . . 47 GLU CA . 19714 1 604 . 1 1 50 50 GLU CB C 13 29.997 0.200 . 1 . . . . 47 GLU CB . 19714 1 605 . 1 1 50 50 GLU CG C 13 36.072 0.200 . 1 . . . . 47 GLU CG . 19714 1 606 . 1 1 50 50 GLU N N 15 123.078 0.200 . 1 . . . . 47 GLU N . 19714 1 607 . 1 1 51 51 PRO HA H 1 4.389 0.020 . 1 . . . . 48 PRO HA . 19714 1 608 . 1 1 51 51 PRO HB2 H 1 2.260 0.020 . 2 . . . . 48 PRO HB2 . 19714 1 609 . 1 1 51 51 PRO HB3 H 1 1.852 0.020 . 2 . . . . 48 PRO HB3 . 19714 1 610 . 1 1 51 51 PRO HG2 H 1 2.015 0.020 . 2 . . . . 48 PRO HG2 . 19714 1 611 . 1 1 51 51 PRO HG3 H 1 1.980 0.020 . 2 . . . . 48 PRO HG3 . 19714 1 612 . 1 1 51 51 PRO HD2 H 1 3.790 0.020 . 2 . . . . 48 PRO HD2 . 19714 1 613 . 1 1 51 51 PRO HD3 H 1 3.645 0.020 . 2 . . . . 48 PRO HD3 . 19714 1 614 . 1 1 51 51 PRO C C 13 176.940 0.200 . 1 . . . . 48 PRO C . 19714 1 615 . 1 1 51 51 PRO CA C 13 63.224 0.200 . 1 . . . . 48 PRO CA . 19714 1 616 . 1 1 51 51 PRO CB C 13 32.073 0.200 . 1 . . . . 48 PRO CB . 19714 1 617 . 1 1 51 51 PRO CG C 13 27.450 0.200 . 1 . . . . 48 PRO CG . 19714 1 618 . 1 1 51 51 PRO CD C 13 50.712 0.200 . 1 . . . . 48 PRO CD . 19714 1 619 . 1 1 52 52 LYS H H 1 8.373 0.020 . 1 . . . . 49 LYS HN . 19714 1 620 . 1 1 52 52 LYS HA H 1 4.255 0.020 . 1 . . . . 49 LYS HA . 19714 1 621 . 1 1 52 52 LYS HB2 H 1 1.755 0.020 . 2 . . . . 49 LYS HB2 . 19714 1 622 . 1 1 52 52 LYS HB3 H 1 1.671 0.020 . 2 . . . . 49 LYS HB3 . 19714 1 623 . 1 1 52 52 LYS HG2 H 1 1.389 0.020 . 2 . . . . 49 LYS HG2 . 19714 1 624 . 1 1 52 52 LYS HG3 H 1 1.389 0.020 . 2 . . . . 49 LYS HG3 . 19714 1 625 . 1 1 52 52 LYS HD2 H 1 1.602 0.020 . 2 . . . . 49 LYS HD2 . 19714 1 626 . 1 1 52 52 LYS HD3 H 1 1.602 0.020 . 2 . . . . 49 LYS HD3 . 19714 1 627 . 1 1 52 52 LYS HE2 H 1 2.925 0.020 . 2 . . . . 49 LYS HE2 . 19714 1 628 . 1 1 52 52 LYS HE3 H 1 2.925 0.020 . 2 . . . . 49 LYS HE3 . 19714 1 629 . 1 1 52 52 LYS C C 13 176.830 0.200 . 1 . . . . 49 LYS C . 19714 1 630 . 1 1 52 52 LYS CA C 13 56.362 0.200 . 1 . . . . 49 LYS CA . 19714 1 631 . 1 1 52 52 LYS CB C 13 32.860 0.200 . 1 . . . . 49 LYS CB . 19714 1 632 . 1 1 52 52 LYS CG C 13 24.680 0.200 . 1 . . . . 49 LYS CG . 19714 1 633 . 1 1 52 52 LYS CD C 13 29.080 0.200 . 1 . . . . 49 LYS CD . 19714 1 634 . 1 1 52 52 LYS CE C 13 42.250 0.200 . 1 . . . . 49 LYS CE . 19714 1 635 . 1 1 52 52 LYS N N 15 122.672 0.200 . 1 . . . . 49 LYS N . 19714 1 636 . 1 1 53 53 GLN H H 1 8.363 0.020 . 1 . . . . 50 GLN HN . 19714 1 637 . 1 1 53 53 GLN HA H 1 4.294 0.020 . 1 . . . . 50 GLN HA . 19714 1 638 . 1 1 53 53 GLN HB2 H 1 1.992 0.020 . 2 . . . . 50 GLN HB2 . 19714 1 639 . 1 1 53 53 GLN HB3 H 1 1.870 0.020 . 2 . . . . 50 GLN HB3 . 19714 1 640 . 1 1 53 53 GLN HG2 H 1 2.276 0.020 . 2 . . . . 50 GLN HG2 . 19714 1 641 . 1 1 53 53 GLN HG3 H 1 2.276 0.020 . 2 . . . . 50 GLN HG3 . 19714 1 642 . 1 1 53 53 GLN HE21 H 1 7.487 0.020 . 2 . . . . 50 GLN HE21 . 19714 1 643 . 1 1 53 53 GLN HE22 H 1 6.784 0.020 . 2 . . . . 50 GLN HE22 . 19714 1 644 . 1 1 53 53 GLN C C 13 175.590 0.200 . 1 . . . . 50 GLN C . 19714 1 645 . 1 1 53 53 GLN CA C 13 55.810 0.200 . 1 . . . . 50 GLN CA . 19714 1 646 . 1 1 53 53 GLN CB C 13 29.590 0.200 . 1 . . . . 50 GLN CB . 19714 1 647 . 1 1 53 53 GLN CG C 13 33.860 0.200 . 1 . . . . 50 GLN CG . 19714 1 648 . 1 1 53 53 GLN N N 15 122.296 0.200 . 1 . . . . 50 GLN N . 19714 1 649 . 1 1 53 53 GLN NE2 N 15 113.350 0.200 . 1 . . . . 50 GLN NE2 . 19714 1 650 . 1 1 54 54 ASP H H 1 8.375 0.020 . 1 . . . . 51 ASP HN . 19714 1 651 . 1 1 54 54 ASP HA H 1 4.519 0.020 . 1 . . . . 51 ASP HA . 19714 1 652 . 1 1 54 54 ASP HB2 H 1 2.630 0.020 . 2 . . . . 51 ASP HB2 . 19714 1 653 . 1 1 54 54 ASP HB3 H 1 2.527 0.020 . 2 . . . . 51 ASP HB3 . 19714 1 654 . 1 1 54 54 ASP C C 13 176.360 0.200 . 1 . . . . 51 ASP C . 19714 1 655 . 1 1 54 54 ASP CA C 13 54.330 0.200 . 1 . . . . 51 ASP CA . 19714 1 656 . 1 1 54 54 ASP CB C 13 41.280 0.200 . 1 . . . . 51 ASP CB . 19714 1 657 . 1 1 54 54 ASP N N 15 122.524 0.200 . 1 . . . . 51 ASP N . 19714 1 658 . 1 1 55 55 LYS H H 1 8.305 0.020 . 1 . . . . 52 LYS HN . 19714 1 659 . 1 1 55 55 LYS HA H 1 4.323 0.020 . 1 . . . . 52 LYS HA . 19714 1 660 . 1 1 55 55 LYS HB2 H 1 1.806 0.020 . 2 . . . . 52 LYS HB2 . 19714 1 661 . 1 1 55 55 LYS HB3 H 1 1.688 0.020 . 2 . . . . 52 LYS HB3 . 19714 1 662 . 1 1 55 55 LYS HG2 H 1 1.370 0.020 . 2 . . . . 52 LYS HG2 . 19714 1 663 . 1 1 55 55 LYS HG3 H 1 1.370 0.020 . 2 . . . . 52 LYS HG3 . 19714 1 664 . 1 1 55 55 LYS HD2 H 1 1.597 0.020 . 2 . . . . 52 LYS HD2 . 19714 1 665 . 1 1 55 55 LYS HD3 H 1 1.597 0.020 . 2 . . . . 52 LYS HD3 . 19714 1 666 . 1 1 55 55 LYS HE2 H 1 2.918 0.020 . 2 . . . . 52 LYS HE2 . 19714 1 667 . 1 1 55 55 LYS HE3 H 1 2.918 0.020 . 2 . . . . 52 LYS HE3 . 19714 1 668 . 1 1 55 55 LYS C C 13 177.060 0.200 . 1 . . . . 52 LYS C . 19714 1 669 . 1 1 55 55 LYS CA C 13 56.390 0.200 . 1 . . . . 52 LYS CA . 19714 1 670 . 1 1 55 55 LYS CB C 13 32.840 0.200 . 1 . . . . 52 LYS CB . 19714 1 671 . 1 1 55 55 LYS CG C 13 24.730 0.200 . 1 . . . . 52 LYS CG . 19714 1 672 . 1 1 55 55 LYS CD C 13 28.810 0.200 . 1 . . . . 52 LYS CD . 19714 1 673 . 1 1 55 55 LYS CE C 13 42.150 0.200 . 1 . . . . 52 LYS CE . 19714 1 674 . 1 1 55 55 LYS N N 15 122.679 0.200 . 1 . . . . 52 LYS N . 19714 1 675 . 1 1 56 56 THR H H 1 8.230 0.020 . 1 . . . . 53 THR HN . 19714 1 676 . 1 1 56 56 THR HA H 1 4.260 0.020 . 1 . . . . 53 THR HA . 19714 1 677 . 1 1 56 56 THR HB H 1 4.184 0.020 . 1 . . . . 53 THR HB . 19714 1 678 . 1 1 56 56 THR HG21 H 1 1.136 0.020 . 1 . . . . 53 THR HG21 . 19714 1 679 . 1 1 56 56 THR HG22 H 1 1.136 0.020 . 1 . . . . 53 THR HG21 . 19714 1 680 . 1 1 56 56 THR HG23 H 1 1.136 0.020 . 1 . . . . 53 THR HG21 . 19714 1 681 . 1 1 56 56 THR C C 13 175.040 0.200 . 1 . . . . 53 THR C . 19714 1 682 . 1 1 56 56 THR CA C 13 62.480 0.200 . 1 . . . . 53 THR CA . 19714 1 683 . 1 1 56 56 THR CB C 13 69.830 0.200 . 1 . . . . 53 THR CB . 19714 1 684 . 1 1 56 56 THR CG2 C 13 21.550 0.200 . 1 . . . . 53 THR CG2 . 19714 1 685 . 1 1 56 56 THR N N 15 115.365 0.200 . 1 . . . . 53 THR N . 19714 1 686 . 1 1 57 57 SER H H 1 8.212 0.020 . 1 . . . . 54 SER HN . 19714 1 687 . 1 1 57 57 SER HA H 1 4.409 0.020 . 1 . . . . 54 SER HA . 19714 1 688 . 1 1 57 57 SER HB2 H 1 3.849 0.020 . 2 . . . . 54 SER HB2 . 19714 1 689 . 1 1 57 57 SER HB3 H 1 3.777 0.020 . 2 . . . . 54 SER HB3 . 19714 1 690 . 1 1 57 57 SER C C 13 174.710 0.200 . 1 . . . . 54 SER C . 19714 1 691 . 1 1 57 57 SER CA C 13 58.660 0.200 . 1 . . . . 54 SER CA . 19714 1 692 . 1 1 57 57 SER CB C 13 63.770 0.200 . 1 . . . . 54 SER CB . 19714 1 693 . 1 1 57 57 SER N N 15 118.458 0.200 . 1 . . . . 54 SER N . 19714 1 694 . 1 1 58 58 GLN H H 1 8.296 0.020 . 1 . . . . 55 GLN HN . 19714 1 695 . 1 1 58 58 GLN HA H 1 4.247 0.020 . 1 . . . . 55 GLN HA . 19714 1 696 . 1 1 58 58 GLN HB2 H 1 2.040 0.020 . 2 . . . . 55 GLN HB2 . 19714 1 697 . 1 1 58 58 GLN HB3 H 1 1.887 0.020 . 2 . . . . 55 GLN HB3 . 19714 1 698 . 1 1 58 58 GLN HG2 H 1 2.255 0.020 . 2 . . . . 55 GLN HG2 . 19714 1 699 . 1 1 58 58 GLN HG3 H 1 2.255 0.020 . 2 . . . . 55 GLN HG3 . 19714 1 700 . 1 1 58 58 GLN C C 13 175.910 0.200 . 1 . . . . 55 GLN C . 19714 1 701 . 1 1 58 58 GLN CA C 13 56.230 0.200 . 1 . . . . 55 GLN CA . 19714 1 702 . 1 1 58 58 GLN CB C 13 29.420 0.200 . 1 . . . . 55 GLN CB . 19714 1 703 . 1 1 58 58 GLN CG C 13 33.870 0.200 . 1 . . . . 55 GLN CG . 19714 1 704 . 1 1 58 58 GLN N N 15 122.660 0.200 . 1 . . . . 55 GLN N . 19714 1 705 . 1 1 59 59 ASP H H 1 8.219 0.020 . 1 . . . . 56 ASP HN . 19714 1 706 . 1 1 59 59 ASP HA H 1 4.524 0.020 . 1 . . . . 56 ASP HA . 19714 1 707 . 1 1 59 59 ASP HB2 H 1 2.534 0.020 . 2 . . . . 56 ASP HB2 . 19714 1 708 . 1 1 59 59 ASP HB3 H 1 2.534 0.020 . 2 . . . . 56 ASP HB3 . 19714 1 709 . 1 1 59 59 ASP C C 13 176.320 0.200 . 1 . . . . 56 ASP C . 19714 1 710 . 1 1 59 59 ASP CA C 13 54.630 0.200 . 1 . . . . 56 ASP CA . 19714 1 711 . 1 1 59 59 ASP CB C 13 40.960 0.200 . 1 . . . . 56 ASP CB . 19714 1 712 . 1 1 59 59 ASP N N 15 121.970 0.200 . 1 . . . . 56 ASP N . 19714 1 713 . 1 1 60 60 ALA H H 1 8.104 0.020 . 1 . . . . 57 ALA HN . 19714 1 714 . 1 1 60 60 ALA HA H 1 4.203 0.020 . 1 . . . . 57 ALA HA . 19714 1 715 . 1 1 60 60 ALA HB1 H 1 1.263 0.020 . 1 . . . . 57 ALA HB3 . 19714 1 716 . 1 1 60 60 ALA HB2 H 1 1.263 0.020 . 1 . . . . 57 ALA HB3 . 19714 1 717 . 1 1 60 60 ALA HB3 H 1 1.263 0.020 . 1 . . . . 57 ALA HB3 . 19714 1 718 . 1 1 60 60 ALA C C 13 177.580 0.200 . 1 . . . . 57 ALA C . 19714 1 719 . 1 1 60 60 ALA CA C 13 53.010 0.200 . 1 . . . . 57 ALA CA . 19714 1 720 . 1 1 60 60 ALA CB C 13 19.090 0.200 . 1 . . . . 57 ALA CB . 19714 1 721 . 1 1 60 60 ALA N N 15 124.711 0.200 . 1 . . . . 57 ALA N . 19714 1 722 . 1 1 61 61 ASP H H 1 8.127 0.020 . 1 . . . . 58 ASP HN . 19714 1 723 . 1 1 61 61 ASP HA H 1 4.533 0.020 . 1 . . . . 58 ASP HA . 19714 1 724 . 1 1 61 61 ASP HB2 H 1 2.573 0.020 . 2 . . . . 58 ASP HB2 . 19714 1 725 . 1 1 61 61 ASP HB3 H 1 2.491 0.020 . 2 . . . . 58 ASP HB3 . 19714 1 726 . 1 1 61 61 ASP C C 13 176.550 0.200 . 1 . . . . 58 ASP C . 19714 1 727 . 1 1 61 61 ASP CA C 13 54.290 0.200 . 1 . . . . 58 ASP CA . 19714 1 728 . 1 1 61 61 ASP CB C 13 41.040 0.200 . 1 . . . . 58 ASP CB . 19714 1 729 . 1 1 61 61 ASP N N 15 119.512 0.200 . 1 . . . . 58 ASP N . 19714 1 730 . 1 1 62 62 PHE H H 1 8.084 0.020 . 1 . . . . 59 PHE HN . 19714 1 731 . 1 1 62 62 PHE HA H 1 4.550 0.020 . 1 . . . . 59 PHE HA . 19714 1 732 . 1 1 62 62 PHE HB2 H 1 3.169 0.020 . 2 . . . . 59 PHE HB2 . 19714 1 733 . 1 1 62 62 PHE HB3 H 1 3.080 0.020 . 2 . . . . 59 PHE HB3 . 19714 1 734 . 1 1 62 62 PHE HD1 H 1 7.230 0.020 . 1 . . . . 59 PHE HD1 . 19714 1 735 . 1 1 62 62 PHE C C 13 176.470 0.200 . 1 . . . . 59 PHE C . 19714 1 736 . 1 1 62 62 PHE CA C 13 58.430 0.200 . 1 . . . . 59 PHE CA . 19714 1 737 . 1 1 62 62 PHE CB C 13 39.310 0.200 . 1 . . . . 59 PHE CB . 19714 1 738 . 1 1 62 62 PHE N N 15 121.824 0.200 . 1 . . . . 59 PHE N . 19714 1 739 . 1 1 63 63 THR H H 1 8.015 0.020 . 1 . . . . 60 THR HN . 19714 1 740 . 1 1 63 63 THR HA H 1 4.146 0.020 . 1 . . . . 60 THR HA . 19714 1 741 . 1 1 63 63 THR HB H 1 4.151 0.020 . 1 . . . . 60 THR HB . 19714 1 742 . 1 1 63 63 THR HG21 H 1 1.157 0.020 . 1 . . . . 60 THR HG21 . 19714 1 743 . 1 1 63 63 THR HG22 H 1 1.157 0.020 . 1 . . . . 60 THR HG21 . 19714 1 744 . 1 1 63 63 THR HG23 H 1 1.157 0.020 . 1 . . . . 60 THR HG21 . 19714 1 745 . 1 1 63 63 THR C C 13 174.460 0.200 . 1 . . . . 60 THR C . 19714 1 746 . 1 1 63 63 THR CA C 13 62.780 0.200 . 1 . . . . 60 THR CA . 19714 1 747 . 1 1 63 63 THR CB C 13 69.776 0.200 . 1 . . . . 60 THR CB . 19714 1 748 . 1 1 63 63 THR CG2 C 13 21.590 0.200 . 1 . . . . 60 THR CG2 . 19714 1 749 . 1 1 63 63 THR N N 15 116.191 0.200 . 1 . . . . 60 THR N . 19714 1 750 . 1 1 64 64 ALA H H 1 8.046 0.020 . 1 . . . . 61 ALA HN . 19714 1 751 . 1 1 64 64 ALA HA H 1 4.139 0.020 . 1 . . . . 61 ALA HA . 19714 1 752 . 1 1 64 64 ALA HB1 H 1 1.371 0.020 . 1 . . . . 61 ALA HB3 . 19714 1 753 . 1 1 64 64 ALA HB2 H 1 1.371 0.020 . 1 . . . . 61 ALA HB3 . 19714 1 754 . 1 1 64 64 ALA HB3 H 1 1.371 0.020 . 1 . . . . 61 ALA HB3 . 19714 1 755 . 1 1 64 64 ALA C C 13 178.030 0.200 . 1 . . . . 61 ALA C . 19714 1 756 . 1 1 64 64 ALA CA C 13 53.010 0.200 . 1 . . . . 61 ALA CA . 19714 1 757 . 1 1 64 64 ALA CB C 13 18.970 0.200 . 1 . . . . 61 ALA CB . 19714 1 758 . 1 1 64 64 ALA N N 15 126.467 0.200 . 1 . . . . 61 ALA N . 19714 1 759 . 1 1 65 65 LYS H H 1 8.081 0.020 . 1 . . . . 62 LYS HN . 19714 1 760 . 1 1 65 65 LYS HA H 1 4.257 0.020 . 1 . . . . 62 LYS HA . 19714 1 761 . 1 1 65 65 LYS HB2 H 1 1.767 0.020 . 2 . . . . 62 LYS HB2 . 19714 1 762 . 1 1 65 65 LYS HB3 H 1 1.700 0.020 . 2 . . . . 62 LYS HB3 . 19714 1 763 . 1 1 65 65 LYS HG2 H 1 1.392 0.020 . 2 . . . . 62 LYS HG2 . 19714 1 764 . 1 1 65 65 LYS HG3 H 1 1.392 0.020 . 2 . . . . 62 LYS HG3 . 19714 1 765 . 1 1 65 65 LYS HD2 H 1 1.597 0.020 . 2 . . . . 62 LYS HD2 . 19714 1 766 . 1 1 65 65 LYS HD3 H 1 1.597 0.020 . 2 . . . . 62 LYS HD3 . 19714 1 767 . 1 1 65 65 LYS HE2 H 1 2.922 0.020 . 2 . . . . 62 LYS HE2 . 19714 1 768 . 1 1 65 65 LYS HE3 H 1 2.922 0.020 . 2 . . . . 62 LYS HE3 . 19714 1 769 . 1 1 65 65 LYS C C 13 177.160 0.200 . 1 . . . . 62 LYS C . 19714 1 770 . 1 1 65 65 LYS CA C 13 56.620 0.200 . 1 . . . . 62 LYS CA . 19714 1 771 . 1 1 65 65 LYS CB C 13 33.010 0.200 . 1 . . . . 62 LYS CB . 19714 1 772 . 1 1 65 65 LYS CG C 13 24.770 0.200 . 1 . . . . 62 LYS CG . 19714 1 773 . 1 1 65 65 LYS CD C 13 29.040 0.200 . 1 . . . . 62 LYS CD . 19714 1 774 . 1 1 65 65 LYS CE C 13 42.200 0.200 . 1 . . . . 62 LYS CE . 19714 1 775 . 1 1 65 65 LYS N N 15 120.805 0.200 . 1 . . . . 62 LYS N . 19714 1 776 . 1 1 66 66 THR H H 1 8.055 0.020 . 1 . . . . 63 THR HN . 19714 1 777 . 1 1 66 66 THR HA H 1 4.273 0.020 . 1 . . . . 63 THR HA . 19714 1 778 . 1 1 66 66 THR HB H 1 4.146 0.020 . 1 . . . . 63 THR HB . 19714 1 779 . 1 1 66 66 THR HG21 H 1 1.152 0.020 . 1 . . . . 63 THR HG21 . 19714 1 780 . 1 1 66 66 THR HG22 H 1 1.152 0.020 . 1 . . . . 63 THR HG21 . 19714 1 781 . 1 1 66 66 THR HG23 H 1 1.152 0.020 . 1 . . . . 63 THR HG21 . 19714 1 782 . 1 1 66 66 THR C C 13 174.880 0.200 . 1 . . . . 63 THR C . 19714 1 783 . 1 1 66 66 THR CA C 13 62.224 0.200 . 1 . . . . 63 THR CA . 19714 1 784 . 1 1 66 66 THR CB C 13 69.780 0.200 . 1 . . . . 63 THR CB . 19714 1 785 . 1 1 66 66 THR CG2 C 13 21.550 0.200 . 1 . . . . 63 THR CG2 . 19714 1 786 . 1 1 66 66 THR N N 15 115.956 0.200 . 1 . . . . 63 THR N . 19714 1 787 . 1 1 67 67 ILE H H 1 8.036 0.020 . 1 . . . . 64 ILE HN . 19714 1 788 . 1 1 67 67 ILE HA H 1 4.092 0.020 . 1 . . . . 64 ILE HA . 19714 1 789 . 1 1 67 67 ILE HB H 1 1.838 0.020 . 1 . . . . 64 ILE HB . 19714 1 790 . 1 1 67 67 ILE HG12 H 1 1.444 0.020 . 9 . . . . 64 ILE HG12 . 19714 1 791 . 1 1 67 67 ILE HG13 H 1 1.158 0.020 . 9 . . . . 64 ILE HG13 . 19714 1 792 . 1 1 67 67 ILE HG21 H 1 0.833 0.020 . 1 . . . . 64 ILE HG21 . 19714 1 793 . 1 1 67 67 ILE HG22 H 1 0.833 0.020 . 1 . . . . 64 ILE HG21 . 19714 1 794 . 1 1 67 67 ILE HG23 H 1 0.833 0.020 . 1 . . . . 64 ILE HG21 . 19714 1 795 . 1 1 67 67 ILE HD11 H 1 0.870 0.020 . 1 . . . . 64 ILE HD11 . 19714 1 796 . 1 1 67 67 ILE HD12 H 1 0.870 0.020 . 1 . . . . 64 ILE HD11 . 19714 1 797 . 1 1 67 67 ILE HD13 H 1 0.870 0.020 . 1 . . . . 64 ILE HD11 . 19714 1 798 . 1 1 67 67 ILE C C 13 176.240 0.200 . 1 . . . . 64 ILE C . 19714 1 799 . 1 1 67 67 ILE CA C 13 61.570 0.200 . 1 . . . . 64 ILE CA . 19714 1 800 . 1 1 67 67 ILE CB C 13 38.570 0.200 . 1 . . . . 64 ILE CB . 19714 1 801 . 1 1 67 67 ILE CG1 C 13 27.460 0.200 . 1 . . . . 64 ILE CG1 . 19714 1 802 . 1 1 67 67 ILE CG2 C 13 17.420 0.200 . 1 . . . . 64 ILE CG2 . 19714 1 803 . 1 1 67 67 ILE CD1 C 13 12.940 0.200 . 1 . . . . 64 ILE CD1 . 19714 1 804 . 1 1 67 67 ILE N N 15 123.467 0.200 . 1 . . . . 64 ILE N . 19714 1 805 . 1 1 68 68 ALA H H 1 8.169 0.020 . 1 . . . . 65 ALA HN . 19714 1 806 . 1 1 68 68 ALA HA H 1 4.201 0.020 . 1 . . . . 65 ALA HA . 19714 1 807 . 1 1 68 68 ALA HB1 H 1 1.356 0.020 . 1 . . . . 65 ALA HB3 . 19714 1 808 . 1 1 68 68 ALA HB2 H 1 1.356 0.020 . 1 . . . . 65 ALA HB3 . 19714 1 809 . 1 1 68 68 ALA HB3 H 1 1.356 0.020 . 1 . . . . 65 ALA HB3 . 19714 1 810 . 1 1 68 68 ALA C C 13 177.830 0.200 . 1 . . . . 65 ALA C . 19714 1 811 . 1 1 68 68 ALA CA C 13 52.840 0.200 . 1 . . . . 65 ALA CA . 19714 1 812 . 1 1 68 68 ALA CB C 13 19.270 0.200 . 1 . . . . 65 ALA CB . 19714 1 813 . 1 1 68 68 ALA N N 15 127.935 0.200 . 1 . . . . 65 ALA N . 19714 1 814 . 1 1 69 69 ASP H H 1 8.145 0.020 . 1 . . . . 66 ASP HN . 19714 1 815 . 1 1 69 69 ASP HA H 1 4.463 0.020 . 1 . . . . 66 ASP HA . 19714 1 816 . 1 1 69 69 ASP HB2 H 1 2.580 0.020 . 2 . . . . 66 ASP HB2 . 19714 1 817 . 1 1 69 69 ASP HB3 H 1 2.580 0.020 . 2 . . . . 66 ASP HB3 . 19714 1 818 . 1 1 69 69 ASP C C 13 176.470 0.200 . 1 . . . . 66 ASP C . 19714 1 819 . 1 1 69 69 ASP CA C 13 54.610 0.200 . 1 . . . . 66 ASP CA . 19714 1 820 . 1 1 69 69 ASP CB C 13 41.180 0.200 . 1 . . . . 66 ASP CB . 19714 1 821 . 1 1 69 69 ASP N N 15 120.412 0.200 . 1 . . . . 66 ASP N . 19714 1 822 . 1 1 70 70 LYS H H 1 8.160 0.020 . 1 . . . . 67 LYS HN . 19714 1 823 . 1 1 70 70 LYS HA H 1 4.161 0.020 . 1 . . . . 67 LYS HA . 19714 1 824 . 1 1 70 70 LYS HB2 H 1 1.773 0.020 . 2 . . . . 67 LYS HB2 . 19714 1 825 . 1 1 70 70 LYS HB3 H 1 1.696 0.020 . 2 . . . . 67 LYS HB3 . 19714 1 826 . 1 1 70 70 LYS HG2 H 1 1.407 0.020 . 2 . . . . 67 LYS HG2 . 19714 1 827 . 1 1 70 70 LYS HG3 H 1 1.407 0.020 . 2 . . . . 67 LYS HG3 . 19714 1 828 . 1 1 70 70 LYS HD2 H 1 1.602 0.020 . 2 . . . . 67 LYS HD2 . 19714 1 829 . 1 1 70 70 LYS HD3 H 1 1.602 0.020 . 2 . . . . 67 LYS HD3 . 19714 1 830 . 1 1 70 70 LYS HE2 H 1 2.924 0.020 . 2 . . . . 67 LYS HE2 . 19714 1 831 . 1 1 70 70 LYS HE3 H 1 2.924 0.020 . 2 . . . . 67 LYS HE3 . 19714 1 832 . 1 1 70 70 LYS C C 13 176.930 0.200 . 1 . . . . 67 LYS C . 19714 1 833 . 1 1 70 70 LYS CA C 13 56.580 0.200 . 1 . . . . 67 LYS CA . 19714 1 834 . 1 1 70 70 LYS CB C 13 32.890 0.200 . 1 . . . . 67 LYS CB . 19714 1 835 . 1 1 70 70 LYS CG C 13 24.980 0.200 . 1 . . . . 67 LYS CG . 19714 1 836 . 1 1 70 70 LYS CD C 13 29.100 0.200 . 1 . . . . 67 LYS CD . 19714 1 837 . 1 1 70 70 LYS CE C 13 41.950 0.200 . 1 . . . . 67 LYS CE . 19714 1 838 . 1 1 70 70 LYS N N 15 121.507 0.200 . 1 . . . . 67 LYS N . 19714 1 839 . 1 1 71 71 GLN H H 1 8.274 0.020 . 1 . . . . 68 GLN HN . 19714 1 840 . 1 1 71 71 GLN HA H 1 4.188 0.020 . 1 . . . . 68 GLN HA . 19714 1 841 . 1 1 71 71 GLN HB2 H 1 2.028 0.020 . 2 . . . . 68 GLN HB2 . 19714 1 842 . 1 1 71 71 GLN HB3 H 1 1.925 0.020 . 2 . . . . 68 GLN HB3 . 19714 1 843 . 1 1 71 71 GLN HG2 H 1 2.307 0.020 . 2 . . . . 68 GLN HG2 . 19714 1 844 . 1 1 71 71 GLN HG3 H 1 2.307 0.020 . 2 . . . . 68 GLN HG3 . 19714 1 845 . 1 1 71 71 GLN C C 13 176.010 0.200 . 1 . . . . 68 GLN C . 19714 1 846 . 1 1 71 71 GLN CA C 13 56.150 0.200 . 1 . . . . 68 GLN CA . 19714 1 847 . 1 1 71 71 GLN CB C 13 29.380 0.200 . 1 . . . . 68 GLN CB . 19714 1 848 . 1 1 71 71 GLN CG C 13 33.860 0.200 . 1 . . . . 68 GLN CG . 19714 1 849 . 1 1 71 71 GLN N N 15 121.715 0.200 . 1 . . . . 68 GLN N . 19714 1 850 . 1 1 72 72 ALA H H 1 8.172 0.020 . 1 . . . . 69 ALA HN . 19714 1 851 . 1 1 72 72 ALA HA H 1 4.261 0.020 . 1 . . . . 69 ALA HA . 19714 1 852 . 1 1 72 72 ALA HB1 H 1 1.321 0.020 . 1 . . . . 69 ALA HB3 . 19714 1 853 . 1 1 72 72 ALA HB2 H 1 1.321 0.020 . 1 . . . . 69 ALA HB3 . 19714 1 854 . 1 1 72 72 ALA HB3 H 1 1.321 0.020 . 1 . . . . 69 ALA HB3 . 19714 1 855 . 1 1 72 72 ALA C C 13 177.650 0.200 . 1 . . . . 69 ALA C . 19714 1 856 . 1 1 72 72 ALA CA C 13 52.780 0.200 . 1 . . . . 69 ALA CA . 19714 1 857 . 1 1 72 72 ALA CB C 13 19.290 0.200 . 1 . . . . 69 ALA CB . 19714 1 858 . 1 1 72 72 ALA N N 15 125.438 0.200 . 1 . . . . 69 ALA N . 19714 1 859 . 1 1 73 73 ASP H H 1 8.237 0.020 . 1 . . . . 70 ASP HN . 19714 1 860 . 1 1 73 73 ASP HA H 1 4.532 0.020 . 1 . . . . 70 ASP HA . 19714 1 861 . 1 1 73 73 ASP HB2 H 1 2.665 0.020 . 2 . . . . 70 ASP HB2 . 19714 1 862 . 1 1 73 73 ASP HB3 H 1 2.569 0.020 . 2 . . . . 70 ASP HB3 . 19714 1 863 . 1 1 73 73 ASP C C 13 176.850 0.200 . 1 . . . . 70 ASP C . 19714 1 864 . 1 1 73 73 ASP CA C 13 54.530 0.200 . 1 . . . . 70 ASP CA . 19714 1 865 . 1 1 73 73 ASP CB C 13 41.160 0.200 . 1 . . . . 70 ASP CB . 19714 1 866 . 1 1 73 73 ASP N N 15 120.383 0.200 . 1 . . . . 70 ASP N . 19714 1 867 . 1 1 74 74 THR H H 1 8.026 0.020 . 1 . . . . 71 THR HN . 19714 1 868 . 1 1 74 74 THR HA H 1 4.295 0.020 . 1 . . . . 71 THR HA . 19714 1 869 . 1 1 74 74 THR HB H 1 4.295 0.020 . 1 . . . . 71 THR HB . 19714 1 870 . 1 1 74 74 THR HG21 H 1 1.183 0.020 . 1 . . . . 71 THR HG21 . 19714 1 871 . 1 1 74 74 THR HG22 H 1 1.183 0.020 . 1 . . . . 71 THR HG21 . 19714 1 872 . 1 1 74 74 THR HG23 H 1 1.183 0.020 . 1 . . . . 71 THR HG21 . 19714 1 873 . 1 1 74 74 THR C C 13 174.810 0.200 . 1 . . . . 71 THR C . 19714 1 874 . 1 1 74 74 THR CA C 13 62.220 0.200 . 1 . . . . 71 THR CA . 19714 1 875 . 1 1 74 74 THR CB C 13 69.560 0.200 . 1 . . . . 71 THR CB . 19714 1 876 . 1 1 74 74 THR CG2 C 13 21.590 0.200 . 1 . . . . 71 THR CG2 . 19714 1 877 . 1 1 74 74 THR N N 15 114.569 0.200 . 1 . . . . 71 THR N . 19714 1 878 . 1 1 75 75 ASN H H 1 8.408 0.020 . 1 . . . . 72 ASN HN . 19714 1 879 . 1 1 75 75 ASN HA H 1 4.622 0.020 . 1 . . . . 72 ASN HA . 19714 1 880 . 1 1 75 75 ASN HB2 H 1 2.786 0.020 . 2 . . . . 72 ASN HB2 . 19714 1 881 . 1 1 75 75 ASN HB3 H 1 2.741 0.020 . 2 . . . . 72 ASN HB3 . 19714 1 882 . 1 1 75 75 ASN C C 13 175.580 0.200 . 1 . . . . 72 ASN C . 19714 1 883 . 1 1 75 75 ASN CA C 13 53.750 0.200 . 1 . . . . 72 ASN CA . 19714 1 884 . 1 1 75 75 ASN CB C 13 38.820 0.200 . 1 . . . . 72 ASN CB . 19714 1 885 . 1 1 75 75 ASN N N 15 121.470 0.200 . 1 . . . . 72 ASN N . 19714 1 886 . 1 1 76 76 GLN H H 1 8.276 0.020 . 1 . . . . 73 GLN HN . 19714 1 887 . 1 1 76 76 GLN HA H 1 4.273 0.020 . 1 . . . . 73 GLN HA . 19714 1 888 . 1 1 76 76 GLN HB2 H 1 2.056 0.020 . 2 . . . . 73 GLN HB2 . 19714 1 889 . 1 1 76 76 GLN HB3 H 1 1.911 0.020 . 2 . . . . 73 GLN HB3 . 19714 1 890 . 1 1 76 76 GLN HG2 H 1 2.289 0.020 . 2 . . . . 73 GLN HG2 . 19714 1 891 . 1 1 76 76 GLN HG3 H 1 2.289 0.020 . 2 . . . . 73 GLN HG3 . 19714 1 892 . 1 1 76 76 GLN C C 13 176.440 0.200 . 1 . . . . 73 GLN C . 19714 1 893 . 1 1 76 76 GLN CA C 13 56.420 0.200 . 1 . . . . 73 GLN CA . 19714 1 894 . 1 1 76 76 GLN CB C 13 29.390 0.200 . 1 . . . . 73 GLN CB . 19714 1 895 . 1 1 76 76 GLN CG C 13 33.830 0.200 . 1 . . . . 73 GLN CG . 19714 1 896 . 1 1 76 76 GLN N N 15 121.367 0.200 . 1 . . . . 73 GLN N . 19714 1 897 . 1 1 77 77 GLU H H 1 8.340 0.020 . 1 . . . . 74 GLU HN . 19714 1 898 . 1 1 77 77 GLU HA H 1 4.136 0.020 . 1 . . . . 74 GLU HA . 19714 1 899 . 1 1 77 77 GLU HB2 H 1 1.979 0.020 . 2 . . . . 74 GLU HB2 . 19714 1 900 . 1 1 77 77 GLU HB3 H 1 1.906 0.020 . 2 . . . . 74 GLU HB3 . 19714 1 901 . 1 1 77 77 GLU HG2 H 1 2.203 0.020 . 2 . . . . 74 GLU HG2 . 19714 1 902 . 1 1 77 77 GLU HG3 H 1 2.203 0.020 . 2 . . . . 74 GLU HG3 . 19714 1 903 . 1 1 77 77 GLU CA C 13 56.990 0.200 . 1 . . . . 74 GLU CA . 19714 1 904 . 1 1 77 77 GLU CB C 13 29.840 0.200 . 1 . . . . 74 GLU CB . 19714 1 905 . 1 1 77 77 GLU CG C 13 36.250 0.200 . 1 . . . . 74 GLU CG . 19714 1 906 . 1 1 77 77 GLU N N 15 122.508 0.200 . 1 . . . . 74 GLU N . 19714 1 907 . 1 1 78 78 GLN H H 1 8.289 0.020 . 1 . . . . 75 GLN HN . 19714 1 908 . 1 1 78 78 GLN HA H 1 4.186 0.020 . 1 . . . . 75 GLN HA . 19714 1 909 . 1 1 78 78 GLN HB2 H 1 2.034 0.020 . 2 . . . . 75 GLN HB2 . 19714 1 910 . 1 1 78 78 GLN HB3 H 1 1.911 0.020 . 2 . . . . 75 GLN HB3 . 19714 1 911 . 1 1 78 78 GLN HG2 H 1 2.312 0.020 . 2 . . . . 75 GLN HG2 . 19714 1 912 . 1 1 78 78 GLN HG3 H 1 2.312 0.020 . 2 . . . . 75 GLN HG3 . 19714 1 913 . 1 1 78 78 GLN CA C 13 56.150 0.200 . 1 . . . . 75 GLN CA . 19714 1 914 . 1 1 78 78 GLN CB C 13 29.220 0.200 . 1 . . . . 75 GLN CB . 19714 1 915 . 1 1 78 78 GLN CG C 13 33.822 0.200 . 1 . . . . 75 GLN CG . 19714 1 916 . 1 1 79 79 ALA H H 1 8.192 0.020 . 1 . . . . 76 ALA HN . 19714 1 917 . 1 1 79 79 ALA HA H 1 4.201 0.020 . 1 . . . . 76 ALA HA . 19714 1 918 . 1 1 79 79 ALA HB1 H 1 1.358 0.020 . 1 . . . . 76 ALA HB3 . 19714 1 919 . 1 1 79 79 ALA HB2 H 1 1.358 0.020 . 1 . . . . 76 ALA HB3 . 19714 1 920 . 1 1 79 79 ALA HB3 H 1 1.358 0.020 . 1 . . . . 76 ALA HB3 . 19714 1 921 . 1 1 79 79 ALA C C 13 178.070 0.200 . 1 . . . . 76 ALA C . 19714 1 922 . 1 1 79 79 ALA CA C 13 52.890 0.200 . 1 . . . . 76 ALA CA . 19714 1 923 . 1 1 79 79 ALA CB C 13 19.080 0.200 . 1 . . . . 76 ALA CB . 19714 1 924 . 1 1 79 79 ALA N N 15 125.639 0.200 . 1 . . . . 76 ALA N . 19714 1 925 . 1 1 80 80 LYS H H 1 8.222 0.020 . 1 . . . . 77 LYS HN . 19714 1 926 . 1 1 80 80 LYS HA H 1 4.252 0.020 . 1 . . . . 77 LYS HA . 19714 1 927 . 1 1 80 80 LYS HB2 H 1 1.771 0.020 . 2 . . . . 77 LYS HB2 . 19714 1 928 . 1 1 80 80 LYS HB3 H 1 1.702 0.020 . 2 . . . . 77 LYS HB3 . 19714 1 929 . 1 1 80 80 LYS HG2 H 1 1.359 0.020 . 2 . . . . 77 LYS HG2 . 19714 1 930 . 1 1 80 80 LYS HG3 H 1 1.359 0.020 . 2 . . . . 77 LYS HG3 . 19714 1 931 . 1 1 80 80 LYS HD2 H 1 1.607 0.020 . 2 . . . . 77 LYS HD2 . 19714 1 932 . 1 1 80 80 LYS HD3 H 1 1.607 0.020 . 2 . . . . 77 LYS HD3 . 19714 1 933 . 1 1 80 80 LYS HE2 H 1 2.922 0.020 . 2 . . . . 77 LYS HE2 . 19714 1 934 . 1 1 80 80 LYS HE3 H 1 2.922 0.020 . 2 . . . . 77 LYS HE3 . 19714 1 935 . 1 1 80 80 LYS CA C 13 56.550 0.200 . 1 . . . . 77 LYS CA . 19714 1 936 . 1 1 80 80 LYS CB C 13 32.950 0.200 . 1 . . . . 77 LYS CB . 19714 1 937 . 1 1 80 80 LYS CG C 13 24.730 0.200 . 1 . . . . 77 LYS CG . 19714 1 938 . 1 1 80 80 LYS CD C 13 29.100 0.200 . 1 . . . . 77 LYS CD . 19714 1 939 . 1 1 80 80 LYS CE C 13 42.215 0.200 . 1 . . . . 77 LYS CE . 19714 1 940 . 1 1 80 80 LYS N N 15 121.348 0.200 . 1 . . . . 77 LYS N . 19714 1 941 . 1 1 81 81 THR H H 1 8.070 0.020 . 1 . . . . 78 THR HN . 19714 1 942 . 1 1 81 81 THR HA H 1 4.230 0.020 . 1 . . . . 78 THR HA . 19714 1 943 . 1 1 81 81 THR HB H 1 4.202 0.020 . 1 . . . . 78 THR HB . 19714 1 944 . 1 1 81 81 THR HG21 H 1 1.140 0.020 . 1 . . . . 78 THR HG21 . 19714 1 945 . 1 1 81 81 THR HG22 H 1 1.140 0.020 . 1 . . . . 78 THR HG21 . 19714 1 946 . 1 1 81 81 THR HG23 H 1 1.140 0.020 . 1 . . . . 78 THR HG21 . 19714 1 947 . 1 1 81 81 THR C C 13 175.050 0.200 . 1 . . . . 78 THR C . 19714 1 948 . 1 1 81 81 THR CA C 13 62.270 0.200 . 1 . . . . 78 THR CA . 19714 1 949 . 1 1 81 81 THR CB C 13 69.770 0.200 . 1 . . . . 78 THR CB . 19714 1 950 . 1 1 81 81 THR CG2 C 13 21.590 0.200 . 1 . . . . 78 THR CG2 . 19714 1 951 . 1 1 81 81 THR N N 15 115.941 0.200 . 1 . . . . 78 THR N . 19714 1 952 . 1 1 82 82 GLU H H 1 8.444 0.020 . 1 . . . . 79 GLU HN . 19714 1 953 . 1 1 82 82 GLU HA H 1 4.191 0.020 . 1 . . . . 79 GLU HA . 19714 1 954 . 1 1 82 82 GLU HB2 H 1 1.973 0.020 . 2 . . . . 79 GLU HB2 . 19714 1 955 . 1 1 82 82 GLU HB3 H 1 1.901 0.020 . 2 . . . . 79 GLU HB3 . 19714 1 956 . 1 1 82 82 GLU HG2 H 1 2.212 0.020 . 2 . . . . 79 GLU HG2 . 19714 1 957 . 1 1 82 82 GLU HG3 H 1 2.212 0.020 . 2 . . . . 79 GLU HG3 . 19714 1 958 . 1 1 82 82 GLU C C 13 176.930 0.200 . 1 . . . . 79 GLU C . 19714 1 959 . 1 1 82 82 GLU CA C 13 57.240 0.200 . 1 . . . . 79 GLU CA . 19714 1 960 . 1 1 82 82 GLU CB C 13 30.100 0.200 . 1 . . . . 79 GLU CB . 19714 1 961 . 1 1 82 82 GLU CG C 13 36.180 0.200 . 1 . . . . 79 GLU CG . 19714 1 962 . 1 1 82 82 GLU N N 15 123.459 0.200 . 1 . . . . 79 GLU N . 19714 1 963 . 1 1 83 83 ASP H H 1 8.273 0.020 . 1 . . . . 80 ASP HN . 19714 1 964 . 1 1 83 83 ASP HA H 1 4.514 0.020 . 1 . . . . 80 ASP HA . 19714 1 965 . 1 1 83 83 ASP HB2 H 1 2.579 0.020 . 2 . . . . 80 ASP HB2 . 19714 1 966 . 1 1 83 83 ASP HB3 H 1 2.579 0.020 . 2 . . . . 80 ASP HB3 . 19714 1 967 . 1 1 83 83 ASP C C 13 176.690 0.200 . 1 . . . . 80 ASP C . 19714 1 968 . 1 1 83 83 ASP CA C 13 55.090 0.200 . 1 . . . . 80 ASP CA . 19714 1 969 . 1 1 83 83 ASP CB C 13 41.200 0.200 . 1 . . . . 80 ASP CB . 19714 1 970 . 1 1 83 83 ASP N N 15 121.690 0.200 . 1 . . . . 80 ASP N . 19714 1 971 . 1 1 84 84 ALA H H 1 8.084 0.020 . 1 . . . . 81 ALA HN . 19714 1 972 . 1 1 84 84 ALA HA H 1 4.216 0.020 . 1 . . . . 81 ALA HA . 19714 1 973 . 1 1 84 84 ALA HB1 H 1 1.358 0.020 . 1 . . . . 81 ALA HB3 . 19714 1 974 . 1 1 84 84 ALA HB2 H 1 1.358 0.020 . 1 . . . . 81 ALA HB3 . 19714 1 975 . 1 1 84 84 ALA HB3 H 1 1.358 0.020 . 1 . . . . 81 ALA HB3 . 19714 1 976 . 1 1 84 84 ALA C C 13 178.350 0.200 . 1 . . . . 81 ALA C . 19714 1 977 . 1 1 84 84 ALA CA C 13 52.984 0.200 . 1 . . . . 81 ALA CA . 19714 1 978 . 1 1 84 84 ALA CB C 13 19.040 0.200 . 1 . . . . 81 ALA CB . 19714 1 979 . 1 1 84 84 ALA N N 15 124.690 0.200 . 1 . . . . 81 ALA N . 19714 1 980 . 1 1 85 85 LYS H H 1 8.042 0.020 . 1 . . . . 82 LYS HN . 19714 1 981 . 1 1 85 85 LYS HA H 1 4.205 0.020 . 1 . . . . 82 LYS HA . 19714 1 982 . 1 1 85 85 LYS HB2 H 1 1.746 0.020 . 2 . . . . 82 LYS HB2 . 19714 1 983 . 1 1 85 85 LYS HB3 H 1 1.746 0.020 . 2 . . . . 82 LYS HB3 . 19714 1 984 . 1 1 85 85 LYS HG2 H 1 1.352 0.020 . 2 . . . . 82 LYS HG2 . 19714 1 985 . 1 1 85 85 LYS HG3 H 1 1.352 0.020 . 2 . . . . 82 LYS HG3 . 19714 1 986 . 1 1 85 85 LYS HD2 H 1 1.603 0.020 . 2 . . . . 82 LYS HD2 . 19714 1 987 . 1 1 85 85 LYS HD3 H 1 1.603 0.020 . 2 . . . . 82 LYS HD3 . 19714 1 988 . 1 1 85 85 LYS HE2 H 1 2.918 0.020 . 2 . . . . 82 LYS HE2 . 19714 1 989 . 1 1 85 85 LYS HE3 H 1 2.918 0.020 . 2 . . . . 82 LYS HE3 . 19714 1 990 . 1 1 85 85 LYS C C 13 176.910 0.200 . 1 . . . . 82 LYS C . 19714 1 991 . 1 1 85 85 LYS CA C 13 56.650 0.200 . 1 . . . . 82 LYS CA . 19714 1 992 . 1 1 85 85 LYS CB C 13 32.720 0.200 . 1 . . . . 82 LYS CB . 19714 1 993 . 1 1 85 85 LYS CG C 13 24.760 0.200 . 1 . . . . 82 LYS CG . 19714 1 994 . 1 1 85 85 LYS CD C 13 29.060 0.200 . 1 . . . . 82 LYS CD . 19714 1 995 . 1 1 85 85 LYS CE C 13 42.160 0.200 . 1 . . . . 82 LYS CE . 19714 1 996 . 1 1 85 85 LYS N N 15 119.788 0.200 . 1 . . . . 82 LYS N . 19714 1 997 . 1 1 86 86 ARG H H 1 7.964 0.020 . 1 . . . . 83 ARG HN . 19714 1 998 . 1 1 86 86 ARG HA H 1 4.139 0.020 . 1 . . . . 83 ARG HA . 19714 1 999 . 1 1 86 86 ARG HB2 H 1 1.733 0.020 . 2 . . . . 83 ARG HB2 . 19714 1 1000 . 1 1 86 86 ARG HB3 H 1 1.693 0.020 . 2 . . . . 83 ARG HB3 . 19714 1 1001 . 1 1 86 86 ARG HG2 H 1 1.536 0.020 . 2 . . . . 83 ARG HG2 . 19714 1 1002 . 1 1 86 86 ARG HG3 H 1 1.470 0.020 . 2 . . . . 83 ARG HG3 . 19714 1 1003 . 1 1 86 86 ARG HD2 H 1 3.149 0.020 . 2 . . . . 83 ARG HD2 . 19714 1 1004 . 1 1 86 86 ARG HD3 H 1 3.149 0.020 . 2 . . . . 83 ARG HD3 . 19714 1 1005 . 1 1 86 86 ARG CA C 13 56.560 0.200 . 1 . . . . 83 ARG CA . 19714 1 1006 . 1 1 86 86 ARG CB C 13 30.610 0.200 . 1 . . . . 83 ARG CB . 19714 1 1007 . 1 1 86 86 ARG CG C 13 27.180 0.200 . 1 . . . . 83 ARG CG . 19714 1 1008 . 1 1 86 86 ARG CD C 13 43.320 0.200 . 1 . . . . 83 ARG CD . 19714 1 1009 . 1 1 86 86 ARG N N 15 121.675 0.200 . 1 . . . . 83 ARG N . 19714 1 1010 . 1 1 87 87 HIS H H 1 8.211 0.020 . 1 . . . . 84 HIS HN . 19714 1 1011 . 1 1 87 87 HIS HA H 1 4.599 0.020 . 1 . . . . 84 HIS HA . 19714 1 1012 . 1 1 87 87 HIS HB2 H 1 3.201 0.020 . 2 . . . . 84 HIS HB2 . 19714 1 1013 . 1 1 87 87 HIS HB3 H 1 3.065 0.020 . 2 . . . . 84 HIS HB3 . 19714 1 1014 . 1 1 87 87 HIS CA C 13 56.040 0.200 . 1 . . . . 84 HIS CA . 19714 1 1015 . 1 1 87 87 HIS CB C 13 29.360 0.200 . 1 . . . . 84 HIS CB . 19714 1 1016 . 1 1 88 88 ASP H H 1 8.237 0.020 . 1 . . . . 85 ASP HN . 19714 1 1017 . 1 1 88 88 ASP HA H 1 4.531 0.020 . 1 . . . . 85 ASP HA . 19714 1 1018 . 1 1 88 88 ASP HB2 H 1 2.577 0.020 . 2 . . . . 85 ASP HB2 . 19714 1 1019 . 1 1 88 88 ASP HB3 H 1 2.548 0.020 . 2 . . . . 85 ASP HB3 . 19714 1 1020 . 1 1 88 88 ASP CA C 13 54.700 0.200 . 1 . . . . 85 ASP CA . 19714 1 1021 . 1 1 88 88 ASP CB C 13 41.230 0.200 . 1 . . . . 85 ASP CB . 19714 1 1022 . 1 1 88 88 ASP N N 15 122.377 0.200 . 1 . . . . 85 ASP N . 19714 1 1023 . 1 1 89 89 LYS H H 1 8.085 0.020 . 1 . . . . 86 LYS HN . 19714 1 1024 . 1 1 89 89 LYS HA H 1 4.256 0.020 . 1 . . . . 86 LYS HA . 19714 1 1025 . 1 1 89 89 LYS HB2 H 1 1.843 0.020 . 2 . . . . 86 LYS HB2 . 19714 1 1026 . 1 1 89 89 LYS HB3 H 1 1.843 0.020 . 2 . . . . 86 LYS HB3 . 19714 1 1027 . 1 1 89 89 LYS HG2 H 1 1.362 0.020 . 2 . . . . 86 LYS HG2 . 19714 1 1028 . 1 1 89 89 LYS HG3 H 1 1.362 0.020 . 2 . . . . 86 LYS HG3 . 19714 1 1029 . 1 1 89 89 LYS HD2 H 1 1.610 0.020 . 2 . . . . 86 LYS HD2 . 19714 1 1030 . 1 1 89 89 LYS HD3 H 1 1.610 0.020 . 2 . . . . 86 LYS HD3 . 19714 1 1031 . 1 1 89 89 LYS HE2 H 1 2.921 0.020 . 2 . . . . 86 LYS HE2 . 19714 1 1032 . 1 1 89 89 LYS HE3 H 1 2.921 0.020 . 2 . . . . 86 LYS HE3 . 19714 1 1033 . 1 1 89 89 LYS CA C 13 56.540 0.200 . 1 . . . . 86 LYS CA . 19714 1 1034 . 1 1 89 89 LYS CB C 13 32.720 0.200 . 1 . . . . 86 LYS CB . 19714 1 1035 . 1 1 89 89 LYS CG C 13 24.700 0.200 . 1 . . . . 86 LYS CG . 19714 1 1036 . 1 1 89 89 LYS CD C 13 29.250 0.200 . 1 . . . . 86 LYS CD . 19714 1 1037 . 1 1 89 89 LYS CE C 13 42.200 0.200 . 1 . . . . 86 LYS CE . 19714 1 1038 . 1 1 89 89 LYS N N 15 121.916 0.200 . 1 . . . . 86 LYS N . 19714 1 1039 . 1 1 90 90 GLU HA H 1 4.233 0.020 . 1 . . . . 87 GLU HA . 19714 1 1040 . 1 1 90 90 GLU HB2 H 1 1.967 0.020 . 2 . . . . 87 GLU HB2 . 19714 1 1041 . 1 1 90 90 GLU HB3 H 1 1.905 0.020 . 2 . . . . 87 GLU HB3 . 19714 1 1042 . 1 1 90 90 GLU HG2 H 1 2.212 0.020 . 2 . . . . 87 GLU HG2 . 19714 1 1043 . 1 1 90 90 GLU HG3 H 1 2.212 0.020 . 2 . . . . 87 GLU HG3 . 19714 1 1044 . 1 1 90 90 GLU CA C 13 56.770 0.200 . 1 . . . . 87 GLU CA . 19714 1 1045 . 1 1 90 90 GLU CB C 13 30.050 0.200 . 1 . . . . 87 GLU CB . 19714 1 1046 . 1 1 90 90 GLU CG C 13 36.310 0.200 . 1 . . . . 87 GLU CG . 19714 1 1047 . 1 1 91 91 GLN H H 1 8.273 0.020 . 1 . . . . 88 GLN HN . 19714 1 1048 . 1 1 91 91 GLN HA H 1 4.297 0.020 . 1 . . . . 88 GLN HA . 19714 1 1049 . 1 1 91 91 GLN HB2 H 1 1.977 0.020 . 2 . . . . 88 GLN HB2 . 19714 1 1050 . 1 1 91 91 GLN HB3 H 1 1.882 0.020 . 2 . . . . 88 GLN HB3 . 19714 1 1051 . 1 1 91 91 GLN HG2 H 1 2.272 0.020 . 2 . . . . 88 GLN HG2 . 19714 1 1052 . 1 1 91 91 GLN HG3 H 1 2.272 0.020 . 2 . . . . 88 GLN HG3 . 19714 1 1053 . 1 1 91 91 GLN C C 13 175.960 0.200 . 1 . . . . 88 GLN C . 19714 1 1054 . 1 1 91 91 GLN CA C 13 55.830 0.200 . 1 . . . . 88 GLN CA . 19714 1 1055 . 1 1 91 91 GLN CB C 13 29.700 0.200 . 1 . . . . 88 GLN CB . 19714 1 1056 . 1 1 91 91 GLN CG C 13 33.860 0.200 . 1 . . . . 88 GLN CG . 19714 1 1057 . 1 1 91 91 GLN N N 15 121.927 0.200 . 1 . . . . 88 GLN N . 19714 1 1058 . 1 1 92 92 VAL H H 1 8.099 0.020 . 1 . . . . 89 VAL HN . 19714 1 1059 . 1 1 92 92 VAL HA H 1 4.033 0.020 . 1 . . . . 89 VAL HA . 19714 1 1060 . 1 1 92 92 VAL HB H 1 2.012 0.020 . 1 . . . . 89 VAL HB . 19714 1 1061 . 1 1 92 92 VAL HG21 H 1 0.905 0.020 . 2 . . . . 89 VAL HG21 . 19714 1 1062 . 1 1 92 92 VAL HG22 H 1 0.905 0.020 . 2 . . . . 89 VAL HG21 . 19714 1 1063 . 1 1 92 92 VAL HG23 H 1 0.905 0.020 . 2 . . . . 89 VAL HG21 . 19714 1 1064 . 1 1 92 92 VAL C C 13 176.180 0.200 . 1 . . . . 89 VAL C . 19714 1 1065 . 1 1 92 92 VAL CA C 13 62.560 0.200 . 1 . . . . 89 VAL CA . 19714 1 1066 . 1 1 92 92 VAL CB C 13 32.719 0.200 . 1 . . . . 89 VAL CB . 19714 1 1067 . 1 1 92 92 VAL CG2 C 13 21.072 0.200 . 2 . . . . 89 VAL CG2 . 19714 1 1068 . 1 1 92 92 VAL N N 15 122.589 0.200 . 1 . . . . 89 VAL N . 19714 1 1069 . 1 1 93 93 LEU H H 1 8.210 0.020 . 1 . . . . 90 LEU HN . 19714 1 1070 . 1 1 93 93 LEU HA H 1 4.304 0.020 . 1 . . . . 90 LEU HA . 19714 1 1071 . 1 1 93 93 LEU HB2 H 1 1.542 0.020 . 2 . . . . 90 LEU HB2 . 19714 1 1072 . 1 1 93 93 LEU HB3 H 1 1.454 0.020 . 2 . . . . 90 LEU HB3 . 19714 1 1073 . 1 1 93 93 LEU HG H 1 1.492 0.020 . 1 . . . . 90 LEU HG . 19714 1 1074 . 1 1 93 93 LEU HD11 H 1 0.851 0.020 . 2 . . . . 90 LEU HD11 . 19714 1 1075 . 1 1 93 93 LEU HD12 H 1 0.851 0.020 . 2 . . . . 90 LEU HD11 . 19714 1 1076 . 1 1 93 93 LEU HD13 H 1 0.851 0.020 . 2 . . . . 90 LEU HD11 . 19714 1 1077 . 1 1 93 93 LEU HD21 H 1 0.795 0.020 . 2 . . . . 90 LEU HD21 . 19714 1 1078 . 1 1 93 93 LEU HD22 H 1 0.795 0.020 . 2 . . . . 90 LEU HD21 . 19714 1 1079 . 1 1 93 93 LEU HD23 H 1 0.795 0.020 . 2 . . . . 90 LEU HD21 . 19714 1 1080 . 1 1 93 93 LEU C C 13 175.910 0.200 . 1 . . . . 90 LEU C . 19714 1 1081 . 1 1 93 93 LEU CA C 13 55.110 0.200 . 1 . . . . 90 LEU CA . 19714 1 1082 . 1 1 93 93 LEU CB C 13 42.270 0.200 . 1 . . . . 90 LEU CB . 19714 1 1083 . 1 1 93 93 LEU CG C 13 26.960 0.200 . 1 . . . . 90 LEU CG . 19714 1 1084 . 1 1 93 93 LEU CD2 C 13 23.706 0.200 . 2 . . . . 90 LEU CD2 . 19714 1 1085 . 1 1 93 93 LEU N N 15 126.509 0.200 . 1 . . . . 90 LEU N . 19714 1 1086 . 1 1 94 94 GLU H H 1 8.203 0.020 . 1 . . . . 91 GLU HN . 19714 1 1087 . 1 1 94 94 GLU HA H 1 4.200 0.020 . 1 . . . . 91 GLU HA . 19714 1 1088 . 1 1 94 94 GLU HB2 H 1 1.996 0.020 . 2 . . . . 91 GLU HB2 . 19714 1 1089 . 1 1 94 94 GLU HB3 H 1 1.850 0.020 . 2 . . . . 91 GLU HB3 . 19714 1 1090 . 1 1 94 94 GLU HG2 H 1 2.203 0.020 . 2 . . . . 91 GLU HG2 . 19714 1 1091 . 1 1 94 94 GLU HG3 H 1 2.203 0.020 . 2 . . . . 91 GLU HG3 . 19714 1 1092 . 1 1 94 94 GLU C C 13 175.700 0.200 . 1 . . . . 91 GLU C . 19714 1 1093 . 1 1 94 94 GLU CA C 13 56.460 0.200 . 1 . . . . 91 GLU CA . 19714 1 1094 . 1 1 94 94 GLU CB C 13 30.300 0.200 . 1 . . . . 91 GLU CB . 19714 1 1095 . 1 1 94 94 GLU CG C 13 36.140 0.200 . 1 . . . . 91 GLU CG . 19714 1 1096 . 1 1 94 94 GLU N N 15 122.152 0.200 . 1 . . . . 91 GLU N . 19714 1 stop_ save_