data_7165 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7165 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Solution structure of Urm1 and its implications for the evolution of protein modifiers' 'Structure analysis' 'The data from the entries that make up this study were used to determine the structure of Urm1.' 7165 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . evolution 7165 1 . 'NMR structure' 7165 1 . Urm1 7165 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7165 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Saccharomyces cerevisiae Urm1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-06-10 _Entry.Accession_date 2006-06-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Junjie Xu . . . 7165 2 Jiahai Zhang . . . 7165 3 Hongda Huang . . . 7165 4 Jihui Wu . . . 7165 5 Yunyu Shi . . . 7165 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7165 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 390 7165 '15N chemical shifts' 102 7165 '1H chemical shifts' 688 7165 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 2 . . 2008-07-16 2006-06-10 update BMRB 'complete entry citation' 7165 1 . . 2006-08-11 2006-06-10 original author 'original release' 7165 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 7165 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16864801 _Citation.Full_citation . _Citation.Title 'Solution structure of Urm1 and its implications for the origin of protein modifiers' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 103 _Citation.Journal_issue 31 _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 11625 _Citation.Page_last 11630 _Citation.Year 2006 _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 Junjie Xu . . . 7165 1 2 Jiahai Zhang . . . 7165 1 3 Li Wang . . . 7165 1 4 Jie Zhou . . . 7165 1 5 Hongda Huang . . . 7165 1 6 Jihui Wu . . . 7165 1 7 Yang Zhong . . . 7165 1 8 Yunyu Shi . . . 7165 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID evolution 7165 1 'NMR structure' 7165 1 Urm1 7165 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7165 _Assembly.ID 1 _Assembly.Name 'Urm1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7165 1 stop_ 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 Urm1 1 $Urm1 . . yes native no no . . . 7165 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'protein modifier' 7165 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Urm1 _Entity.Sf_category entity _Entity.Sf_framecode Urm1 _Entity.Entry_ID 7165 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Urm1 _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 ; MVNVKVEFLGGLDAIFGKQR VHKIKMDKEDPVTVGDLIDH IVSTMINNPNDVSIFIEDDS IRPGIITLINDTDWELEGEK DYILEDGDIISFTSTLHGGL EHHHHHH ; _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2AX5 . "Solution Structure Of Urm1 From Saccharomyces Cerevisiae" . . . . . 100.00 107 100.00 100.00 3.15e-68 . . . . 7165 1 2 no PDB 2PKO . "Crystal Structure Of Yeast Urm1 At 1.8 A Resolution" . . . . . 92.52 99 100.00 100.00 7.92e-62 . . . . 7165 1 3 no PDB 2QJL . "Crystal Structure Of Urm1" . . . . . 92.52 99 100.00 100.00 7.92e-62 . . . . 7165 1 4 no DBJ GAA24107 . "K7_Urm1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 92.52 99 100.00 100.00 7.92e-62 . . . . 7165 1 5 no EMBL CAA86243 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 92.52 99 100.00 100.00 7.92e-62 . . . . 7165 1 6 no EMBL CAY80504 . "Urm1p [Saccharomyces cerevisiae EC1118]" . . . . . 92.52 99 100.00 100.00 7.92e-62 . . . . 7165 1 7 no GB AAS56621 . "YIL008W [Saccharomyces cerevisiae]" . . . . . 92.52 99 100.00 100.00 7.92e-62 . . . . 7165 1 8 no GB AHY75989 . "Urm1p [Saccharomyces cerevisiae YJM993]" . . . . . 92.52 99 100.00 100.00 7.92e-62 . . . . 7165 1 9 no GB EDN61485 . "ubiquitin related modifier [Saccharomyces cerevisiae YJM789]" . . . . . 92.52 99 100.00 100.00 7.92e-62 . . . . 7165 1 10 no GB EDV09498 . "conserved hypothetical protein [Saccharomyces cerevisiae RM11-1a]" . . . . . 92.52 99 100.00 100.00 7.92e-62 . . . . 7165 1 11 no GB EEU09048 . "Urm1p [Saccharomyces cerevisiae JAY291]" . . . . . 92.52 99 100.00 100.00 7.92e-62 . . . . 7165 1 12 no REF NP_012258 . "ubiquitin-related modifier URM1 [Saccharomyces cerevisiae S288c]" . . . . . 92.52 99 100.00 100.00 7.92e-62 . . . . 7165 1 13 no SP A6ZVR0 . "RecName: Full=Ubiquitin-related modifier 1 [Saccharomyces cerevisiae YJM789]" . . . . . 92.52 99 100.00 100.00 7.92e-62 . . . . 7165 1 14 no SP B3LTL7 . "RecName: Full=Ubiquitin-related modifier 1 [Saccharomyces cerevisiae RM11-1a]" . . . . . 92.52 99 100.00 100.00 7.92e-62 . . . . 7165 1 15 no SP P40554 . "RecName: Full=Ubiquitin-related modifier 1 [Saccharomyces cerevisiae S288c]" . . . . . 92.52 99 100.00 100.00 7.92e-62 . . . . 7165 1 16 no TPG DAA08538 . "TPA: ubiquitin-related modifier URM1 [Saccharomyces cerevisiae S288c]" . . . . . 92.52 99 100.00 100.00 7.92e-62 . . . . 7165 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Urm1 . 7165 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 . MET . 7165 1 2 . VAL . 7165 1 3 . ASN . 7165 1 4 . VAL . 7165 1 5 . LYS . 7165 1 6 . VAL . 7165 1 7 . GLU . 7165 1 8 . PHE . 7165 1 9 . LEU . 7165 1 10 . GLY . 7165 1 11 . GLY . 7165 1 12 . LEU . 7165 1 13 . ASP . 7165 1 14 . ALA . 7165 1 15 . ILE . 7165 1 16 . PHE . 7165 1 17 . GLY . 7165 1 18 . LYS . 7165 1 19 . GLN . 7165 1 20 . ARG . 7165 1 21 . VAL . 7165 1 22 . HIS . 7165 1 23 . LYS . 7165 1 24 . ILE . 7165 1 25 . LYS . 7165 1 26 . MET . 7165 1 27 . ASP . 7165 1 28 . LYS . 7165 1 29 . GLU . 7165 1 30 . ASP . 7165 1 31 . PRO . 7165 1 32 . VAL . 7165 1 33 . THR . 7165 1 34 . VAL . 7165 1 35 . GLY . 7165 1 36 . ASP . 7165 1 37 . LEU . 7165 1 38 . ILE . 7165 1 39 . ASP . 7165 1 40 . HIS . 7165 1 41 . ILE . 7165 1 42 . VAL . 7165 1 43 . SER . 7165 1 44 . THR . 7165 1 45 . MET . 7165 1 46 . ILE . 7165 1 47 . ASN . 7165 1 48 . ASN . 7165 1 49 . PRO . 7165 1 50 . ASN . 7165 1 51 . ASP . 7165 1 52 . VAL . 7165 1 53 . SER . 7165 1 54 . ILE . 7165 1 55 . PHE . 7165 1 56 . ILE . 7165 1 57 . GLU . 7165 1 58 . ASP . 7165 1 59 . ASP . 7165 1 60 . SER . 7165 1 61 . ILE . 7165 1 62 . ARG . 7165 1 63 . PRO . 7165 1 64 . GLY . 7165 1 65 . ILE . 7165 1 66 . ILE . 7165 1 67 . THR . 7165 1 68 . LEU . 7165 1 69 . ILE . 7165 1 70 . ASN . 7165 1 71 . ASP . 7165 1 72 . THR . 7165 1 73 . ASP . 7165 1 74 . TRP . 7165 1 75 . GLU . 7165 1 76 . LEU . 7165 1 77 . GLU . 7165 1 78 . GLY . 7165 1 79 . GLU . 7165 1 80 . LYS . 7165 1 81 . ASP . 7165 1 82 . TYR . 7165 1 83 . ILE . 7165 1 84 . LEU . 7165 1 85 . GLU . 7165 1 86 . ASP . 7165 1 87 . GLY . 7165 1 88 . ASP . 7165 1 89 . ILE . 7165 1 90 . ILE . 7165 1 91 . SER . 7165 1 92 . PHE . 7165 1 93 . THR . 7165 1 94 . SER . 7165 1 95 . THR . 7165 1 96 . LEU . 7165 1 97 . HIS . 7165 1 98 . GLY . 7165 1 99 . GLY . 7165 1 100 . LEU . 7165 1 101 . GLU . 7165 1 102 . HIS . 7165 1 103 . HIS . 7165 1 104 . HIS . 7165 1 105 . HIS . 7165 1 106 . HIS . 7165 1 107 . HIS . 7165 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 7165 1 . VAL 2 2 7165 1 . ASN 3 3 7165 1 . VAL 4 4 7165 1 . LYS 5 5 7165 1 . VAL 6 6 7165 1 . GLU 7 7 7165 1 . PHE 8 8 7165 1 . LEU 9 9 7165 1 . GLY 10 10 7165 1 . GLY 11 11 7165 1 . LEU 12 12 7165 1 . ASP 13 13 7165 1 . ALA 14 14 7165 1 . ILE 15 15 7165 1 . PHE 16 16 7165 1 . GLY 17 17 7165 1 . LYS 18 18 7165 1 . GLN 19 19 7165 1 . ARG 20 20 7165 1 . VAL 21 21 7165 1 . HIS 22 22 7165 1 . LYS 23 23 7165 1 . ILE 24 24 7165 1 . LYS 25 25 7165 1 . MET 26 26 7165 1 . ASP 27 27 7165 1 . LYS 28 28 7165 1 . GLU 29 29 7165 1 . ASP 30 30 7165 1 . PRO 31 31 7165 1 . VAL 32 32 7165 1 . THR 33 33 7165 1 . VAL 34 34 7165 1 . GLY 35 35 7165 1 . ASP 36 36 7165 1 . LEU 37 37 7165 1 . ILE 38 38 7165 1 . ASP 39 39 7165 1 . HIS 40 40 7165 1 . ILE 41 41 7165 1 . VAL 42 42 7165 1 . SER 43 43 7165 1 . THR 44 44 7165 1 . MET 45 45 7165 1 . ILE 46 46 7165 1 . ASN 47 47 7165 1 . ASN 48 48 7165 1 . PRO 49 49 7165 1 . ASN 50 50 7165 1 . ASP 51 51 7165 1 . VAL 52 52 7165 1 . SER 53 53 7165 1 . ILE 54 54 7165 1 . PHE 55 55 7165 1 . ILE 56 56 7165 1 . GLU 57 57 7165 1 . ASP 58 58 7165 1 . ASP 59 59 7165 1 . SER 60 60 7165 1 . ILE 61 61 7165 1 . ARG 62 62 7165 1 . PRO 63 63 7165 1 . GLY 64 64 7165 1 . ILE 65 65 7165 1 . ILE 66 66 7165 1 . THR 67 67 7165 1 . LEU 68 68 7165 1 . ILE 69 69 7165 1 . ASN 70 70 7165 1 . ASP 71 71 7165 1 . THR 72 72 7165 1 . ASP 73 73 7165 1 . TRP 74 74 7165 1 . GLU 75 75 7165 1 . LEU 76 76 7165 1 . GLU 77 77 7165 1 . GLY 78 78 7165 1 . GLU 79 79 7165 1 . LYS 80 80 7165 1 . ASP 81 81 7165 1 . TYR 82 82 7165 1 . ILE 83 83 7165 1 . LEU 84 84 7165 1 . GLU 85 85 7165 1 . ASP 86 86 7165 1 . GLY 87 87 7165 1 . ASP 88 88 7165 1 . ILE 89 89 7165 1 . ILE 90 90 7165 1 . SER 91 91 7165 1 . PHE 92 92 7165 1 . THR 93 93 7165 1 . SER 94 94 7165 1 . THR 95 95 7165 1 . LEU 96 96 7165 1 . HIS 97 97 7165 1 . GLY 98 98 7165 1 . GLY 99 99 7165 1 . LEU 100 100 7165 1 . GLU 101 101 7165 1 . HIS 102 102 7165 1 . HIS 103 103 7165 1 . HIS 104 104 7165 1 . HIS 105 105 7165 1 . HIS 106 106 7165 1 . HIS 107 107 7165 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 7165 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Urm1 . 4932 . no . Yeast . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 7165 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 7165 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Urm1 . 'recombinant technology' . E.coli 'E.coli BL21 (DE3)' . . . . . . . . . . . . . . . . . . . . . . . . . . 7165 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7165 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N-labeled Urm1' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system . _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 Urm1 [U-15N] . . 1 $Urm1 . protein 0.8 . . mM . . . . 7165 1 2 'phosphate buffer' . . . . . . buffer 50 . . mM . . . . 7165 1 3 NaCl . . . . . . salt 50 . . mM . . . . 7165 1 4 D2O . . . . . . solvent 10 . . % . . . . 7165 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7165 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C, 15N- labeled Urm1' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system . _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 Urm1 '[U-13C; U-15N]' . . 1 $Urm1 . protein 0.8 . . mM . . . . 7165 2 2 'phosphate buffer' . . . . . . buffer 50 . . mM . . . . 7165 2 3 NaCl . . . . . . salt 50 . . mM . . . . 7165 2 4 D2O . . . . . . solvent 10 . . % . . . . 7165 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7165 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 Urm1 '[U-13C; U-15N]' . . 1 $Urm1 . protein 0.8 . . mM . . . . 7165 3 2 'phosphate buffer' . . . . . . buffer 50 . . mM . . . . 7165 3 3 NaCl . . . . . . salt 50 . . mM . . . . 7165 3 4 D2O . . . . . . solvent 99.96 . . % . . . . 7165 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7165 _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 pH 6.5 0.01 pH 7165 1 pressure 1 0.01 atm 7165 1 temperature 298 0.1 K 7165 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600_MHz _NMR_spectrometer.Entry_ID 7165 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7165 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 7165 1 2 CBCACONH no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 7165 1 3 CBCANH no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 7165 1 4 HNCO no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 7165 1 5 HN(CA)CO no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 7165 1 6 C(CO)NH-TOCSY no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 7165 1 7 H(CCO)NH-TOCSY no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 7165 1 8 '15N TOCSY' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 7165 1 9 HBHA(CBCACO)NH no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 7165 1 10 '15N NOESY' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 7165 1 11 '13C NOESY' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 7165 1 12 HCCH-TOCSY no . . . . . . . . . . 3 $sample_3 . . . 1 $conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 7165 1 13 HCCH-COSY no . . . . . . . . . . 3 $sample_3 . . . 1 $conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 7165 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7165 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 7165 1 H 1 H2O protons . . . . ppm 4.771 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 7165 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 7165 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7165 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 . 1 $sample_1 isotropic 7165 1 1 . 2 $sample_2 isotropic 7165 1 1 . 3 $sample_3 isotropic 7165 1 2 . 2 $sample_2 isotropic 7165 1 3 . 2 $sample_2 isotropic 7165 1 4 . 2 $sample_2 isotropic 7165 1 5 . 2 $sample_2 isotropic 7165 1 6 . 2 $sample_2 isotropic 7165 1 7 . 2 $sample_2 isotropic 7165 1 8 . 2 $sample_2 isotropic 7165 1 9 . 2 $sample_2 isotropic 7165 1 10 . 2 $sample_2 isotropic 7165 1 11 . 2 $sample_2 isotropic 7165 1 12 . 3 $sample_3 isotropic 7165 1 13 . 3 $sample_3 isotropic 7165 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.476 0.001 . 1 . . . . 1 M HA . 7165 1 2 . 1 1 1 1 MET HB2 H 1 2.137 0.004 . 1 . . . . 1 M HB2 . 7165 1 3 . 1 1 1 1 MET HB3 H 1 2.067 0.004 . 1 . . . . 1 M HB3 . 7165 1 4 . 1 1 1 1 MET HG2 H 1 2.424 0.009 . 1 . . . . 1 M HG2 . 7165 1 5 . 1 1 1 1 MET HG3 H 1 2.424 0.009 . 1 . . . . 1 M HG3 . 7165 1 6 . 1 1 1 1 MET HE1 H 1 1.378 0.010 . 1 . . . . 1 M HE . 7165 1 7 . 1 1 1 1 MET HE2 H 1 1.378 0.010 . 1 . . . . 1 M HE . 7165 1 8 . 1 1 1 1 MET HE3 H 1 1.378 0.010 . 1 . . . . 1 M HE . 7165 1 9 . 1 1 1 1 MET C C 13 172.579 0.028 . 1 . . . . 1 M CO . 7165 1 10 . 1 1 1 1 MET CA C 13 55.181 0.005 . 1 . . . . 1 M CA . 7165 1 11 . 1 1 1 1 MET CB C 13 32.898 0.052 . 1 . . . . 1 M CB . 7165 1 12 . 1 1 1 1 MET CG C 13 30.456 0.087 . 1 . . . . 1 M CG . 7165 1 13 . 1 1 1 1 MET CE C 13 19.753 0.100 . 1 . . . . 1 M CE . 7165 1 14 . 1 1 2 2 VAL H H 1 8.366 0.007 . 1 . . . . 2 V HN . 7165 1 15 . 1 1 2 2 VAL HA H 1 4.604 0.007 . 1 . . . . 2 V HA . 7165 1 16 . 1 1 2 2 VAL HB H 1 1.860 0.008 . 1 . . . . 2 V HB . 7165 1 17 . 1 1 2 2 VAL HG11 H 1 0.836 0.002 . 1 . . . . 2 V HG1# . 7165 1 18 . 1 1 2 2 VAL HG12 H 1 0.836 0.002 . 1 . . . . 2 V HG1# . 7165 1 19 . 1 1 2 2 VAL HG13 H 1 0.836 0.002 . 1 . . . . 2 V HG1# . 7165 1 20 . 1 1 2 2 VAL HG21 H 1 0.794 0.001 . 1 . . . . 2 V HG2# . 7165 1 21 . 1 1 2 2 VAL HG22 H 1 0.794 0.001 . 1 . . . . 2 V HG2# . 7165 1 22 . 1 1 2 2 VAL HG23 H 1 0.794 0.001 . 1 . . . . 2 V HG2# . 7165 1 23 . 1 1 2 2 VAL C C 13 172.539 0.007 . 1 . . . . 2 V CO . 7165 1 24 . 1 1 2 2 VAL CA C 13 61.055 0.095 . 1 . . . . 2 V CA . 7165 1 25 . 1 1 2 2 VAL CB C 13 35.672 0.068 . 1 . . . . 2 V CB . 7165 1 26 . 1 1 2 2 VAL CG1 C 13 20.535 0.100 . 1 . . . . 2 V CG1 . 7165 1 27 . 1 1 2 2 VAL CG2 C 13 20.535 0.100 . 1 . . . . 2 V CG2 . 7165 1 28 . 1 1 2 2 VAL N N 15 120.545 0.050 . 1 . . . . 2 V N . 7165 1 29 . 1 1 3 3 ASN H H 1 8.815 0.005 . 1 . . . . 3 N HN . 7165 1 30 . 1 1 3 3 ASN HA H 1 5.457 0.006 . 1 . . . . 3 N HA . 7165 1 31 . 1 1 3 3 ASN HB2 H 1 2.810 0.005 . 1 . . . . 3 N HB2 . 7165 1 32 . 1 1 3 3 ASN HB3 H 1 2.442 0.006 . 1 . . . . 3 N HB3 . 7165 1 33 . 1 1 3 3 ASN HD21 H 1 7.915 0.007 . 1 . . . . 3 N HN21 . 7165 1 34 . 1 1 3 3 ASN HD22 H 1 6.533 0.008 . 1 . . . . 3 N HN22 . 7165 1 35 . 1 1 3 3 ASN C C 13 174.303 0.010 . 1 . . . . 3 N CO . 7165 1 36 . 1 1 3 3 ASN CA C 13 52.564 0.091 . 1 . . . . 3 N CA . 7165 1 37 . 1 1 3 3 ASN CB C 13 40.267 0.187 . 1 . . . . 3 N CB . 7165 1 38 . 1 1 3 3 ASN N N 15 124.862 0.064 . 1 . . . . 3 N N . 7165 1 39 . 1 1 3 3 ASN ND2 N 15 114.261 0.055 . 1 . . . . 3 N ND2 . 7165 1 40 . 1 1 4 4 VAL H H 1 8.883 0.006 . 1 . . . . 4 V HN . 7165 1 41 . 1 1 4 4 VAL HA H 1 4.901 0.013 . 1 . . . . 4 V HA . 7165 1 42 . 1 1 4 4 VAL HB H 1 2.138 0.003 . 1 . . . . 4 V HB . 7165 1 43 . 1 1 4 4 VAL HG11 H 1 0.904 0.003 . 1 . . . . 4 V HG1# . 7165 1 44 . 1 1 4 4 VAL HG12 H 1 0.904 0.003 . 1 . . . . 4 V HG1# . 7165 1 45 . 1 1 4 4 VAL HG13 H 1 0.904 0.003 . 1 . . . . 4 V HG1# . 7165 1 46 . 1 1 4 4 VAL HG21 H 1 0.661 0.002 . 1 . . . . 4 V HG2# . 7165 1 47 . 1 1 4 4 VAL HG22 H 1 0.661 0.002 . 1 . . . . 4 V HG2# . 7165 1 48 . 1 1 4 4 VAL HG23 H 1 0.661 0.002 . 1 . . . . 4 V HG2# . 7165 1 49 . 1 1 4 4 VAL C C 13 174.225 0.040 . 1 . . . . 4 V CO . 7165 1 50 . 1 1 4 4 VAL CA C 13 59.004 0.144 . 1 . . . . 4 V CA . 7165 1 51 . 1 1 4 4 VAL CB C 13 35.432 0.117 . 1 . . . . 4 V CB . 7165 1 52 . 1 1 4 4 VAL CG1 C 13 23.253 0.100 . 1 . . . . 4 V CG1 . 7165 1 53 . 1 1 4 4 VAL CG2 C 13 23.253 0.100 . 1 . . . . 4 V CG2 . 7165 1 54 . 1 1 4 4 VAL N N 15 116.487 0.047 . 1 . . . . 4 V N . 7165 1 55 . 1 1 5 5 LYS H H 1 8.536 0.008 . 1 . . . . 5 K HN . 7165 1 56 . 1 1 5 5 LYS HA H 1 5.128 0.008 . 1 . . . . 5 K HA . 7165 1 57 . 1 1 5 5 LYS HB2 H 1 1.614 0.011 . 1 . . . . 5 K HB2 . 7165 1 58 . 1 1 5 5 LYS HB3 H 1 1.614 0.011 . 1 . . . . 5 K HB3 . 7165 1 59 . 1 1 5 5 LYS HG2 H 1 1.316 0.001 . 1 . . . . 5 K HG2 . 7165 1 60 . 1 1 5 5 LYS HG3 H 1 1.121 0.010 . 1 . . . . 5 K HG3 . 7165 1 61 . 1 1 5 5 LYS HD2 H 1 1.539 0.010 . 1 . . . . 5 K HD2 . 7165 1 62 . 1 1 5 5 LYS HD3 H 1 1.539 0.010 . 1 . . . . 5 K HD3 . 7165 1 63 . 1 1 5 5 LYS HE2 H 1 2.752 0.010 . 1 . . . . 5 K HE2 . 7165 1 64 . 1 1 5 5 LYS HE3 H 1 2.752 0.010 . 1 . . . . 5 K HE3 . 7165 1 65 . 1 1 5 5 LYS C C 13 174.059 0.058 . 1 . . . . 5 K CO . 7165 1 66 . 1 1 5 5 LYS CA C 13 55.078 0.038 . 1 . . . . 5 K CA . 7165 1 67 . 1 1 5 5 LYS CB C 13 35.387 0.070 . 1 . . . . 5 K CB . 7165 1 68 . 1 1 5 5 LYS CG C 13 25.997 0.100 . 1 . . . . 5 K CG . 7165 1 69 . 1 1 5 5 LYS CD C 13 29.927 0.100 . 1 . . . . 5 K CD . 7165 1 70 . 1 1 5 5 LYS CE C 13 41.964 0.100 . 1 . . . . 5 K CE . 7165 1 71 . 1 1 5 5 LYS N N 15 124.235 0.069 . 1 . . . . 5 K N . 7165 1 72 . 1 1 6 6 VAL H H 1 8.869 0.005 . 1 . . . . 6 V HN . 7165 1 73 . 1 1 6 6 VAL HA H 1 5.348 0.009 . 1 . . . . 6 V HA . 7165 1 74 . 1 1 6 6 VAL HB H 1 1.466 0.003 . 1 . . . . 6 V HB . 7165 1 75 . 1 1 6 6 VAL HG11 H 1 0.748 0.004 . 1 . . . . 6 V HG1# . 7165 1 76 . 1 1 6 6 VAL HG12 H 1 0.748 0.004 . 1 . . . . 6 V HG1# . 7165 1 77 . 1 1 6 6 VAL HG13 H 1 0.748 0.004 . 1 . . . . 6 V HG1# . 7165 1 78 . 1 1 6 6 VAL HG21 H 1 0.332 0.004 . 1 . . . . 6 V HG2# . 7165 1 79 . 1 1 6 6 VAL HG22 H 1 0.332 0.004 . 1 . . . . 6 V HG2# . 7165 1 80 . 1 1 6 6 VAL HG23 H 1 0.332 0.004 . 1 . . . . 6 V HG2# . 7165 1 81 . 1 1 6 6 VAL C C 13 174.121 0.100 . 1 . . . . 6 V CO . 7165 1 82 . 1 1 6 6 VAL CA C 13 58.916 0.037 . 1 . . . . 6 V CA . 7165 1 83 . 1 1 6 6 VAL CB C 13 34.575 0.100 . 1 . . . . 6 V CB . 7165 1 84 . 1 1 6 6 VAL CG1 C 13 23.207 0.100 . 1 . . . . 6 V CG1 . 7165 1 85 . 1 1 6 6 VAL CG2 C 13 22.337 0.100 . 1 . . . . 6 V CG2 . 7165 1 86 . 1 1 6 6 VAL N N 15 121.990 0.040 . 1 . . . . 6 V N . 7165 1 87 . 1 1 7 7 GLU H H 1 8.237 0.010 . 1 . . . . 7 E HN . 7165 1 88 . 1 1 7 7 GLU HA H 1 5.369 0.006 . 1 . . . . 7 E HA . 7165 1 89 . 1 1 7 7 GLU HB2 H 1 1.722 0.007 . 1 . . . . 7 E HB2 . 7165 1 90 . 1 1 7 7 GLU HB3 H 1 1.591 0.010 . 1 . . . . 7 E HB3 . 7165 1 91 . 1 1 7 7 GLU HG2 H 1 1.938 0.004 . 1 . . . . 7 E HG2 . 7165 1 92 . 1 1 7 7 GLU HG3 H 1 1.938 0.004 . 1 . . . . 7 E HG3 . 7165 1 93 . 1 1 7 7 GLU C C 13 174.536 0.011 . 1 . . . . 7 E CO . 7165 1 94 . 1 1 7 7 GLU CA C 13 53.233 0.033 . 1 . . . . 7 E CA . 7165 1 95 . 1 1 7 7 GLU CB C 13 33.127 0.042 . 1 . . . . 7 E CB . 7165 1 96 . 1 1 7 7 GLU CG C 13 36.557 0.100 . 1 . . . . 7 E CG . 7165 1 97 . 1 1 7 7 GLU N N 15 122.920 0.082 . 1 . . . . 7 E N . 7165 1 98 . 1 1 8 8 PHE H H 1 9.243 0.006 . 1 . . . . 8 F HN . 7165 1 99 . 1 1 8 8 PHE HA H 1 5.464 0.009 . 1 . . . . 8 F HA . 7165 1 100 . 1 1 8 8 PHE HB2 H 1 2.893 0.014 . 1 . . . . 8 F HB2 . 7165 1 101 . 1 1 8 8 PHE HB3 H 1 2.693 0.004 . 1 . . . . 8 F HB3 . 7165 1 102 . 1 1 8 8 PHE HD1 H 1 6.895 0.002 . 1 . . . . 8 F HD2 . 7165 1 103 . 1 1 8 8 PHE HD2 H 1 6.895 0.002 . 1 . . . . 8 F HD3 . 7165 1 104 . 1 1 8 8 PHE HE1 H 1 6.784 0.005 . 1 . . . . 8 F HE2 . 7165 1 105 . 1 1 8 8 PHE HE2 H 1 6.784 0.005 . 1 . . . . 8 F HE3 . 7165 1 106 . 1 1 8 8 PHE C C 13 174.944 0.001 . 1 . . . . 8 F CO . 7165 1 107 . 1 1 8 8 PHE CA C 13 56.250 0.125 . 1 . . . . 8 F CA . 7165 1 108 . 1 1 8 8 PHE CB C 13 40.151 0.092 . 1 . . . . 8 F CB . 7165 1 109 . 1 1 8 8 PHE N N 15 122.590 0.062 . 1 . . . . 8 F N . 7165 1 110 . 1 1 9 9 LEU H H 1 9.467 0.006 . 1 . . . . 9 L HN . 7165 1 111 . 1 1 9 9 LEU HA H 1 5.004 0.012 . 1 . . . . 9 L HA . 7165 1 112 . 1 1 9 9 LEU HB2 H 1 2.344 0.005 . 1 . . . . 9 L HB2 . 7165 1 113 . 1 1 9 9 LEU HB3 H 1 1.560 0.003 . 1 . . . . 9 L HB3 . 7165 1 114 . 1 1 9 9 LEU HG H 1 1.451 0.006 . 1 . . . . 9 L HG . 7165 1 115 . 1 1 9 9 LEU HD11 H 1 0.861 0.005 . 1 . . . . 9 L HD1# . 7165 1 116 . 1 1 9 9 LEU HD12 H 1 0.861 0.005 . 1 . . . . 9 L HD1# . 7165 1 117 . 1 1 9 9 LEU HD13 H 1 0.861 0.005 . 1 . . . . 9 L HD1# . 7165 1 118 . 1 1 9 9 LEU HD21 H 1 0.780 0.008 . 1 . . . . 9 L HD2# . 7165 1 119 . 1 1 9 9 LEU HD22 H 1 0.780 0.008 . 1 . . . . 9 L HD2# . 7165 1 120 . 1 1 9 9 LEU HD23 H 1 0.780 0.008 . 1 . . . . 9 L HD2# . 7165 1 121 . 1 1 9 9 LEU C C 13 179.684 0.017 . 1 . . . . 9 L CO . 7165 1 122 . 1 1 9 9 LEU CA C 13 54.178 0.122 . 1 . . . . 9 L CA . 7165 1 123 . 1 1 9 9 LEU CB C 13 44.104 0.054 . 1 . . . . 9 L CB . 7165 1 124 . 1 1 9 9 LEU CG C 13 27.836 0.100 . 1 . . . . 9 L CG . 7165 1 125 . 1 1 9 9 LEU CD1 C 13 25.141 0.100 . 1 . . . . 9 L CD1 . 7165 1 126 . 1 1 9 9 LEU CD2 C 13 23.097 0.100 . 1 . . . . 9 L CD2 . 7165 1 127 . 1 1 9 9 LEU N N 15 123.991 0.051 . 1 . . . . 9 L N . 7165 1 128 . 1 1 10 10 GLY H H 1 9.230 0.012 . 1 . . . . 10 G HN . 7165 1 129 . 1 1 10 10 GLY HA2 H 1 4.474 0.002 . 1 . . . . 10 G HA2 . 7165 1 130 . 1 1 10 10 GLY HA3 H 1 3.885 0.006 . 1 . . . . 10 G HA3 . 7165 1 131 . 1 1 10 10 GLY C C 13 174.235 0.013 . 1 . . . . 10 G CO . 7165 1 132 . 1 1 10 10 GLY CA C 13 46.378 0.098 . 1 . . . . 10 G CA . 7165 1 133 . 1 1 10 10 GLY N N 15 110.122 0.064 . 1 . . . . 10 G N . 7165 1 134 . 1 1 11 11 GLY H H 1 8.752 0.005 . 1 . . . . 11 G HN . 7165 1 135 . 1 1 11 11 GLY HA2 H 1 4.495 0.009 . 1 . . . . 11 G HA2 . 7165 1 136 . 1 1 11 11 GLY HA3 H 1 3.704 0.005 . 1 . . . . 11 G HA3 . 7165 1 137 . 1 1 11 11 GLY C C 13 176.373 0.007 . 1 . . . . 11 G CO . 7165 1 138 . 1 1 11 11 GLY CA C 13 44.372 0.057 . 1 . . . . 11 G CA . 7165 1 139 . 1 1 11 11 GLY N N 15 106.553 0.063 . 1 . . . . 11 G N . 7165 1 140 . 1 1 12 12 LEU H H 1 7.137 0.005 . 1 . . . . 12 L HN . 7165 1 141 . 1 1 12 12 LEU HA H 1 4.083 0.004 . 1 . . . . 12 L HA . 7165 1 142 . 1 1 12 12 LEU HB2 H 1 1.879 0.003 . 1 . . . . 12 L HB2 . 7165 1 143 . 1 1 12 12 LEU HB3 H 1 1.797 0.002 . 1 . . . . 12 L HB3 . 7165 1 144 . 1 1 12 12 LEU HG H 1 1.912 0.010 . 1 . . . . 12 L HG . 7165 1 145 . 1 1 12 12 LEU HD11 H 1 1.128 0.005 . 1 . . . . 12 L HD1# . 7165 1 146 . 1 1 12 12 LEU HD12 H 1 1.128 0.005 . 1 . . . . 12 L HD1# . 7165 1 147 . 1 1 12 12 LEU HD13 H 1 1.128 0.005 . 1 . . . . 12 L HD1# . 7165 1 148 . 1 1 12 12 LEU HD21 H 1 1.128 0.005 . 1 . . . . 12 L HD2# . 7165 1 149 . 1 1 12 12 LEU HD22 H 1 1.128 0.005 . 1 . . . . 12 L HD2# . 7165 1 150 . 1 1 12 12 LEU HD23 H 1 1.128 0.005 . 1 . . . . 12 L HD2# . 7165 1 151 . 1 1 12 12 LEU C C 13 175.757 0.011 . 1 . . . . 12 L CO . 7165 1 152 . 1 1 12 12 LEU CA C 13 56.045 0.104 . 1 . . . . 12 L CA . 7165 1 153 . 1 1 12 12 LEU CB C 13 43.916 0.022 . 1 . . . . 12 L CB . 7165 1 154 . 1 1 12 12 LEU CG C 13 27.307 0.100 . 1 . . . . 12 L CG . 7165 1 155 . 1 1 12 12 LEU CD1 C 13 25.130 0.100 . 1 . . . . 12 L CD1 . 7165 1 156 . 1 1 12 12 LEU CD2 C 13 25.130 0.100 . 1 . . . . 12 L CD2 . 7165 1 157 . 1 1 12 12 LEU N N 15 122.128 0.046 . 1 . . . . 12 L N . 7165 1 158 . 1 1 13 13 ASP H H 1 8.382 0.005 . 1 . . . . 13 D HN . 7165 1 159 . 1 1 13 13 ASP HA H 1 4.061 0.005 . 1 . . . . 13 D HA . 7165 1 160 . 1 1 13 13 ASP HB2 H 1 2.702 0.004 . 1 . . . . 13 D HB2 . 7165 1 161 . 1 1 13 13 ASP HB3 H 1 2.429 0.006 . 1 . . . . 13 D HB3 . 7165 1 162 . 1 1 13 13 ASP C C 13 177.439 0.008 . 1 . . . . 13 D CO . 7165 1 163 . 1 1 13 13 ASP CA C 13 56.728 0.259 . 1 . . . . 13 D CA . 7165 1 164 . 1 1 13 13 ASP CB C 13 40.321 0.031 . 1 . . . . 13 D CB . 7165 1 165 . 1 1 13 13 ASP N N 15 115.126 0.059 . 1 . . . . 13 D N . 7165 1 166 . 1 1 14 14 ALA H H 1 7.330 0.023 . 1 . . . . 14 A HN . 7165 1 167 . 1 1 14 14 ALA HA H 1 3.857 0.003 . 1 . . . . 14 A HA . 7165 1 168 . 1 1 14 14 ALA HB1 H 1 1.410 0.006 . 1 . . . . 14 A HB . 7165 1 169 . 1 1 14 14 ALA HB2 H 1 1.410 0.006 . 1 . . . . 14 A HB . 7165 1 170 . 1 1 14 14 ALA HB3 H 1 1.410 0.006 . 1 . . . . 14 A HB . 7165 1 171 . 1 1 14 14 ALA C C 13 179.351 0.004 . 1 . . . . 14 A CO . 7165 1 172 . 1 1 14 14 ALA CA C 13 55.376 0.032 . 1 . . . . 14 A CA . 7165 1 173 . 1 1 14 14 ALA CB C 13 19.376 0.108 . 1 . . . . 14 A CB . 7165 1 174 . 1 1 14 14 ALA N N 15 122.879 0.049 . 1 . . . . 14 A N . 7165 1 175 . 1 1 15 15 ILE H H 1 6.971 0.006 . 1 . . . . 15 I HN . 7165 1 176 . 1 1 15 15 ILE HA H 1 4.192 0.003 . 1 . . . . 15 I HA . 7165 1 177 . 1 1 15 15 ILE HB H 1 1.513 0.008 . 1 . . . . 15 I HB . 7165 1 178 . 1 1 15 15 ILE HG12 H 1 0.761 0.003 . 1 . . . . 15 I HG12 . 7165 1 179 . 1 1 15 15 ILE HG13 H 1 -0.014 0.004 . 1 . . . . 15 I HG13 . 7165 1 180 . 1 1 15 15 ILE HG21 H 1 0.481 0.005 . 1 . . . . 15 I HG2# . 7165 1 181 . 1 1 15 15 ILE HG22 H 1 0.481 0.005 . 1 . . . . 15 I HG2# . 7165 1 182 . 1 1 15 15 ILE HG23 H 1 0.481 0.005 . 1 . . . . 15 I HG2# . 7165 1 183 . 1 1 15 15 ILE HD11 H 1 0.286 0.005 . 1 . . . . 15 I HD1# . 7165 1 184 . 1 1 15 15 ILE HD12 H 1 0.286 0.005 . 1 . . . . 15 I HD1# . 7165 1 185 . 1 1 15 15 ILE HD13 H 1 0.286 0.005 . 1 . . . . 15 I HD1# . 7165 1 186 . 1 1 15 15 ILE C C 13 174.604 0.014 . 1 . . . . 15 I CO . 7165 1 187 . 1 1 15 15 ILE CA C 13 61.530 0.504 . 1 . . . . 15 I CA . 7165 1 188 . 1 1 15 15 ILE CB C 13 37.763 0.089 . 1 . . . . 15 I CB . 7165 1 189 . 1 1 15 15 ILE CG1 C 13 25.895 0.100 . 1 . . . . 15 I CG1 . 7165 1 190 . 1 1 15 15 ILE CG2 C 13 17.859 0.100 . 1 . . . . 15 I CG2 . 7165 1 191 . 1 1 15 15 ILE N N 15 108.984 0.048 . 1 . . . . 15 I N . 7165 1 192 . 1 1 16 16 PHE H H 1 7.234 0.008 . 1 . . . . 16 F HN . 7165 1 193 . 1 1 16 16 PHE HA H 1 4.717 0.007 . 1 . . . . 16 F HA . 7165 1 194 . 1 1 16 16 PHE HB2 H 1 3.023 0.001 . 1 . . . . 16 F HB2 . 7165 1 195 . 1 1 16 16 PHE HB3 H 1 2.104 0.006 . 1 . . . . 16 F HB3 . 7165 1 196 . 1 1 16 16 PHE HD1 H 1 6.229 0.009 . 1 . . . . 16 F HD2 . 7165 1 197 . 1 1 16 16 PHE HD2 H 1 6.229 0.009 . 1 . . . . 16 F HD3 . 7165 1 198 . 1 1 16 16 PHE HE1 H 1 5.870 0.006 . 1 . . . . 16 F HE2 . 7165 1 199 . 1 1 16 16 PHE HE2 H 1 5.870 0.006 . 1 . . . . 16 F HE3 . 7165 1 200 . 1 1 16 16 PHE C C 13 176.699 0.035 . 1 . . . . 16 F CO . 7165 1 201 . 1 1 16 16 PHE CA C 13 56.768 0.061 . 1 . . . . 16 F CA . 7165 1 202 . 1 1 16 16 PHE CB C 13 39.741 0.017 . 1 . . . . 16 F CB . 7165 1 203 . 1 1 16 16 PHE N N 15 122.228 0.065 . 1 . . . . 16 F N . 7165 1 204 . 1 1 17 17 GLY H H 1 8.102 0.007 . 1 . . . . 17 G HN . 7165 1 205 . 1 1 17 17 GLY HA2 H 1 3.980 0.005 . 1 . . . . 17 G HA2 . 7165 1 206 . 1 1 17 17 GLY HA3 H 1 3.762 0.004 . 1 . . . . 17 G HA3 . 7165 1 207 . 1 1 17 17 GLY C C 13 174.876 0.051 . 1 . . . . 17 G CO . 7165 1 208 . 1 1 17 17 GLY CA C 13 46.766 0.078 . 1 . . . . 17 G CA . 7165 1 209 . 1 1 17 17 GLY N N 15 107.803 0.059 . 1 . . . . 17 G N . 7165 1 210 . 1 1 18 18 LYS H H 1 7.967 0.004 . 1 . . . . 18 K HN . 7165 1 211 . 1 1 18 18 LYS HA H 1 3.888 0.005 . 1 . . . . 18 K HA . 7165 1 212 . 1 1 18 18 LYS HB2 H 1 1.975 0.005 . 1 . . . . 18 K HB2 . 7165 1 213 . 1 1 18 18 LYS HB3 H 1 1.975 0.005 . 1 . . . . 18 K HB3 . 7165 1 214 . 1 1 18 18 LYS HG2 H 1 1.360 0.002 . 1 . . . . 18 K HG2 . 7165 1 215 . 1 1 18 18 LYS HG3 H 1 1.285 0.004 . 1 . . . . 18 K HG3 . 7165 1 216 . 1 1 18 18 LYS HD2 H 1 1.638 0.004 . 1 . . . . 18 K HD2 . 7165 1 217 . 1 1 18 18 LYS HD3 H 1 1.638 0.004 . 1 . . . . 18 K HD3 . 7165 1 218 . 1 1 18 18 LYS HE2 H 1 2.967 0.010 . 1 . . . . 18 K HE2 . 7165 1 219 . 1 1 18 18 LYS HE3 H 1 2.967 0.010 . 1 . . . . 18 K HE3 . 7165 1 220 . 1 1 18 18 LYS C C 13 175.011 0.067 . 1 . . . . 18 K CO . 7165 1 221 . 1 1 18 18 LYS CA C 13 57.071 0.027 . 1 . . . . 18 K CA . 7165 1 222 . 1 1 18 18 LYS CB C 13 29.146 0.129 . 1 . . . . 18 K CB . 7165 1 223 . 1 1 18 18 LYS CG C 13 25.350 0.100 . 1 . . . . 18 K CG . 7165 1 224 . 1 1 18 18 LYS CD C 13 25.895 0.100 . 1 . . . . 18 K CD . 7165 1 225 . 1 1 18 18 LYS CE C 13 42.079 0.100 . 1 . . . . 18 K CE . 7165 1 226 . 1 1 18 18 LYS N N 15 112.774 0.076 . 1 . . . . 18 K N . 7165 1 227 . 1 1 19 19 GLN H H 1 7.074 0.007 . 1 . . . . 19 Q HN . 7165 1 228 . 1 1 19 19 GLN HA H 1 4.638 0.007 . 1 . . . . 19 Q HA . 7165 1 229 . 1 1 19 19 GLN HB2 H 1 1.930 0.001 . 1 . . . . 19 Q HB2 . 7165 1 230 . 1 1 19 19 GLN HB3 H 1 1.930 0.001 . 1 . . . . 19 Q HB3 . 7165 1 231 . 1 1 19 19 GLN HG2 H 1 2.165 0.010 . 1 . . . . 19 Q HG2 . 7165 1 232 . 1 1 19 19 GLN HG3 H 1 1.751 0.005 . 1 . . . . 19 Q HG3 . 7165 1 233 . 1 1 19 19 GLN HE21 H 1 7.215 0.010 . 1 . . . . 19 Q HN21 . 7165 1 234 . 1 1 19 19 GLN HE22 H 1 6.582 0.001 . 1 . . . . 19 Q HN22 . 7165 1 235 . 1 1 19 19 GLN C C 13 175.128 0.011 . 1 . . . . 19 Q CO . 7165 1 236 . 1 1 19 19 GLN CA C 13 54.393 0.130 . 1 . . . . 19 Q CA . 7165 1 237 . 1 1 19 19 GLN CB C 13 30.452 0.054 . 1 . . . . 19 Q CB . 7165 1 238 . 1 1 19 19 GLN CG C 13 32.698 0.152 . 1 . . . . 19 Q CG . 7165 1 239 . 1 1 19 19 GLN N N 15 118.576 0.051 . 1 . . . . 19 Q N . 7165 1 240 . 1 1 19 19 GLN NE2 N 15 111.210 0.072 . 1 . . . . 19 Q NE2 . 7165 1 241 . 1 1 20 20 ARG H H 1 8.691 0.007 . 1 . . . . 20 R HN . 7165 1 242 . 1 1 20 20 ARG HA H 1 4.529 0.002 . 1 . . . . 20 R HA . 7165 1 243 . 1 1 20 20 ARG HB2 H 1 1.970 0.003 . 1 . . . . 20 R HB2 . 7165 1 244 . 1 1 20 20 ARG HB3 H 1 1.909 0.006 . 1 . . . . 20 R HB3 . 7165 1 245 . 1 1 20 20 ARG HG2 H 1 1.886 0.010 . 1 . . . . 20 R HG2 . 7165 1 246 . 1 1 20 20 ARG HG3 H 1 1.750 0.008 . 1 . . . . 20 R HG3 . 7165 1 247 . 1 1 20 20 ARG HD2 H 1 3.252 0.010 . 1 . . . . 20 R HD2 . 7165 1 248 . 1 1 20 20 ARG HD3 H 1 3.200 0.003 . 1 . . . . 20 R HD3 . 7165 1 249 . 1 1 20 20 ARG C C 13 175.764 0.022 . 1 . . . . 20 R CO . 7165 1 250 . 1 1 20 20 ARG CA C 13 59.703 0.029 . 1 . . . . 20 R CA . 7165 1 251 . 1 1 20 20 ARG CB C 13 32.117 0.035 . 1 . . . . 20 R CB . 7165 1 252 . 1 1 20 20 ARG CG C 13 28.453 0.100 . 1 . . . . 20 R CG . 7165 1 253 . 1 1 20 20 ARG CD C 13 43.843 0.100 . 1 . . . . 20 R CD . 7165 1 254 . 1 1 20 20 ARG N N 15 126.789 0.067 . 1 . . . . 20 R N . 7165 1 255 . 1 1 21 21 VAL H H 1 7.947 0.006 . 1 . . . . 21 V HN . 7165 1 256 . 1 1 21 21 VAL HA H 1 4.919 0.014 . 1 . . . . 21 V HA . 7165 1 257 . 1 1 21 21 VAL HB H 1 1.894 0.007 . 1 . . . . 21 V HB . 7165 1 258 . 1 1 21 21 VAL HG11 H 1 0.889 0.009 . 1 . . . . 21 V HG1# . 7165 1 259 . 1 1 21 21 VAL HG12 H 1 0.889 0.009 . 1 . . . . 21 V HG1# . 7165 1 260 . 1 1 21 21 VAL HG13 H 1 0.889 0.009 . 1 . . . . 21 V HG1# . 7165 1 261 . 1 1 21 21 VAL HG21 H 1 0.800 0.010 . 1 . . . . 21 V HG2# . 7165 1 262 . 1 1 21 21 VAL HG22 H 1 0.800 0.010 . 1 . . . . 21 V HG2# . 7165 1 263 . 1 1 21 21 VAL HG23 H 1 0.800 0.010 . 1 . . . . 21 V HG2# . 7165 1 264 . 1 1 21 21 VAL C C 13 175.725 0.007 . 1 . . . . 21 V CO . 7165 1 265 . 1 1 21 21 VAL CA C 13 61.729 0.097 . 1 . . . . 21 V CA . 7165 1 266 . 1 1 21 21 VAL CB C 13 33.520 0.048 . 1 . . . . 21 V CB . 7165 1 267 . 1 1 21 21 VAL N N 15 115.670 0.050 . 1 . . . . 21 V N . 7165 1 268 . 1 1 22 22 HIS H H 1 9.461 0.005 . 1 . . . . 22 H HN . 7165 1 269 . 1 1 22 22 HIS HA H 1 4.621 0.004 . 1 . . . . 22 H HA . 7165 1 270 . 1 1 22 22 HIS HB2 H 1 2.786 0.005 . 1 . . . . 22 H HB2 . 7165 1 271 . 1 1 22 22 HIS HB3 H 1 2.704 0.001 . 1 . . . . 22 H HB3 . 7165 1 272 . 1 1 22 22 HIS C C 13 174.019 0.100 . 1 . . . . 22 H CO . 7165 1 273 . 1 1 22 22 HIS CA C 13 54.915 0.025 . 1 . . . . 22 H CA . 7165 1 274 . 1 1 22 22 HIS CB C 13 34.553 0.056 . 1 . . . . 22 H CB . 7165 1 275 . 1 1 22 22 HIS N N 15 128.009 0.066 . 1 . . . . 22 H N . 7165 1 276 . 1 1 23 23 LYS H H 1 8.869 0.005 . 1 . . . . 23 K HN . 7165 1 277 . 1 1 23 23 LYS HA H 1 4.684 0.009 . 1 . . . . 23 K HA . 7165 1 278 . 1 1 23 23 LYS HB2 H 1 1.805 0.003 . 1 . . . . 23 K HB2 . 7165 1 279 . 1 1 23 23 LYS HB3 H 1 1.715 0.010 . 1 . . . . 23 K HB3 . 7165 1 280 . 1 1 23 23 LYS HG2 H 1 1.395 0.005 . 1 . . . . 23 K HG2 . 7165 1 281 . 1 1 23 23 LYS HG3 H 1 1.219 0.005 . 1 . . . . 23 K HG3 . 7165 1 282 . 1 1 23 23 LYS HD2 H 1 1.623 0.002 . 1 . . . . 23 K HD2 . 7165 1 283 . 1 1 23 23 LYS HD3 H 1 1.623 0.002 . 1 . . . . 23 K HD3 . 7165 1 284 . 1 1 23 23 LYS HE2 H 1 2.867 0.001 . 1 . . . . 23 K HE2 . 7165 1 285 . 1 1 23 23 LYS HE3 H 1 2.867 0.001 . 1 . . . . 23 K HE3 . 7165 1 286 . 1 1 23 23 LYS C C 13 175.748 0.004 . 1 . . . . 23 K CO . 7165 1 287 . 1 1 23 23 LYS CA C 13 56.062 0.089 . 1 . . . . 23 K CA . 7165 1 288 . 1 1 23 23 LYS CB C 13 32.165 0.005 . 1 . . . . 23 K CB . 7165 1 289 . 1 1 23 23 LYS CG C 13 25.498 0.100 . 1 . . . . 23 K CG . 7165 1 290 . 1 1 23 23 LYS CD C 13 29.518 0.100 . 1 . . . . 23 K CD . 7165 1 291 . 1 1 23 23 LYS CE C 13 41.869 0.100 . 1 . . . . 23 K CE . 7165 1 292 . 1 1 23 23 LYS N N 15 124.353 0.056 . 1 . . . . 23 K N . 7165 1 293 . 1 1 24 24 ILE H H 1 8.778 0.006 . 1 . . . . 24 I HN . 7165 1 294 . 1 1 24 24 ILE HA H 1 4.268 0.004 . 1 . . . . 24 I HA . 7165 1 295 . 1 1 24 24 ILE HB H 1 1.575 0.004 . 1 . . . . 24 I HB . 7165 1 296 . 1 1 24 24 ILE HG12 H 1 1.315 0.002 . 1 . . . . 24 I HG12 . 7165 1 297 . 1 1 24 24 ILE HG13 H 1 1.174 0.002 . 1 . . . . 24 I HG13 . 7165 1 298 . 1 1 24 24 ILE HG21 H 1 0.547 0.007 . 1 . . . . 24 I HG2# . 7165 1 299 . 1 1 24 24 ILE HG22 H 1 0.547 0.007 . 1 . . . . 24 I HG2# . 7165 1 300 . 1 1 24 24 ILE HG23 H 1 0.547 0.007 . 1 . . . . 24 I HG2# . 7165 1 301 . 1 1 24 24 ILE HD11 H 1 0.710 0.013 . 1 . . . . 24 I HD1# . 7165 1 302 . 1 1 24 24 ILE HD12 H 1 0.710 0.013 . 1 . . . . 24 I HD1# . 7165 1 303 . 1 1 24 24 ILE HD13 H 1 0.710 0.013 . 1 . . . . 24 I HD1# . 7165 1 304 . 1 1 24 24 ILE CA C 13 60.190 0.078 . 1 . . . . 24 I CA . 7165 1 305 . 1 1 24 24 ILE CB C 13 40.707 0.121 . 1 . . . . 24 I CB . 7165 1 306 . 1 1 24 24 ILE CG1 C 13 27.312 0.100 . 1 . . . . 24 I CG1 . 7165 1 307 . 1 1 24 24 ILE CG2 C 13 17.565 0.100 . 1 . . . . 24 I CG2 . 7165 1 308 . 1 1 24 24 ILE CD1 C 13 14.178 0.100 . 1 . . . . 24 I CD1 . 7165 1 309 . 1 1 24 24 ILE N N 15 126.156 0.067 . 1 . . . . 24 I N . 7165 1 310 . 1 1 25 25 LYS H H 1 8.383 0.006 . 1 . . . . 25 K HN . 7165 1 311 . 1 1 25 25 LYS HA H 1 4.795 0.004 . 1 . . . . 25 K HA . 7165 1 312 . 1 1 25 25 LYS HB2 H 1 1.667 0.010 . 1 . . . . 25 K HB2 . 7165 1 313 . 1 1 25 25 LYS HB3 H 1 1.601 0.010 . 1 . . . . 25 K HB3 . 7165 1 314 . 1 1 25 25 LYS HG2 H 1 1.274 0.004 . 1 . . . . 25 K HG2 . 7165 1 315 . 1 1 25 25 LYS HG3 H 1 1.057 0.007 . 1 . . . . 25 K HG3 . 7165 1 316 . 1 1 25 25 LYS HD2 H 1 1.656 0.002 . 1 . . . . 25 K HD2 . 7165 1 317 . 1 1 25 25 LYS HD3 H 1 1.656 0.002 . 1 . . . . 25 K HD3 . 7165 1 318 . 1 1 25 25 LYS HE2 H 1 2.941 0.010 . 1 . . . . 25 K HE2 . 7165 1 319 . 1 1 25 25 LYS HE3 H 1 2.941 0.010 . 1 . . . . 25 K HE3 . 7165 1 320 . 1 1 25 25 LYS C C 13 175.888 0.004 . 1 . . . . 25 K CO . 7165 1 321 . 1 1 25 25 LYS CA C 13 54.825 0.060 . 1 . . . . 25 K CA . 7165 1 322 . 1 1 25 25 LYS CB C 13 33.413 0.034 . 1 . . . . 25 K CB . 7165 1 323 . 1 1 25 25 LYS CG C 13 24.221 0.100 . 1 . . . . 25 K CG . 7165 1 324 . 1 1 25 25 LYS CD C 13 29.543 0.100 . 1 . . . . 25 K CD . 7165 1 325 . 1 1 25 25 LYS CE C 13 41.831 0.100 . 1 . . . . 25 K CE . 7165 1 326 . 1 1 25 25 LYS N N 15 128.544 0.081 . 1 . . . . 25 K N . 7165 1 327 . 1 1 26 26 MET H H 1 8.811 0.005 . 1 . . . . 26 M HN . 7165 1 328 . 1 1 26 26 MET HA H 1 4.498 0.002 . 1 . . . . 26 M HA . 7165 1 329 . 1 1 26 26 MET HB2 H 1 1.986 0.009 . 1 . . . . 26 M HB2 . 7165 1 330 . 1 1 26 26 MET HB3 H 1 1.708 0.005 . 1 . . . . 26 M HB3 . 7165 1 331 . 1 1 26 26 MET HG2 H 1 2.047 0.010 . 1 . . . . 26 M HG2 . 7165 1 332 . 1 1 26 26 MET HG3 H 1 1.924 0.010 . 1 . . . . 26 M HG3 . 7165 1 333 . 1 1 26 26 MET C C 13 174.966 0.013 . 1 . . . . 26 M CO . 7165 1 334 . 1 1 26 26 MET CA C 13 53.430 0.096 . 1 . . . . 26 M CA . 7165 1 335 . 1 1 26 26 MET CB C 13 32.142 0.017 . 1 . . . . 26 M CB . 7165 1 336 . 1 1 26 26 MET CG C 13 31.368 0.100 . 1 . . . . 26 M CG . 7165 1 337 . 1 1 26 26 MET N N 15 124.514 0.073 . 1 . . . . 26 M N . 7165 1 338 . 1 1 27 27 ASP H H 1 8.508 0.007 . 1 . . . . 27 D HN . 7165 1 339 . 1 1 27 27 ASP HA H 1 4.560 0.003 . 1 . . . . 27 D HA . 7165 1 340 . 1 1 27 27 ASP HB2 H 1 2.697 0.006 . 1 . . . . 27 D HB2 . 7165 1 341 . 1 1 27 27 ASP HB3 H 1 2.403 0.002 . 1 . . . . 27 D HB3 . 7165 1 342 . 1 1 27 27 ASP C C 13 175.094 0.007 . 1 . . . . 27 D CO . 7165 1 343 . 1 1 27 27 ASP CA C 13 53.692 0.050 . 1 . . . . 27 D CA . 7165 1 344 . 1 1 27 27 ASP CB C 13 40.773 0.004 . 1 . . . . 27 D CB . 7165 1 345 . 1 1 27 27 ASP N N 15 124.732 0.069 . 1 . . . . 27 D N . 7165 1 346 . 1 1 28 28 LYS H H 1 7.265 0.007 . 1 . . . . 28 K HN . 7165 1 347 . 1 1 28 28 LYS HA H 1 4.186 0.006 . 1 . . . . 28 K HA . 7165 1 348 . 1 1 28 28 LYS HB2 H 1 1.697 0.009 . 1 . . . . 28 K HB2 . 7165 1 349 . 1 1 28 28 LYS HB3 H 1 1.576 0.006 . 1 . . . . 28 K HB3 . 7165 1 350 . 1 1 28 28 LYS HG2 H 1 1.349 0.002 . 1 . . . . 28 K HG2 . 7165 1 351 . 1 1 28 28 LYS HG3 H 1 1.349 0.002 . 1 . . . . 28 K HG3 . 7165 1 352 . 1 1 28 28 LYS HE2 H 1 3.038 0.007 . 1 . . . . 28 K HE2 . 7165 1 353 . 1 1 28 28 LYS HE3 H 1 3.038 0.007 . 1 . . . . 28 K HE3 . 7165 1 354 . 1 1 28 28 LYS C C 13 173.972 0.013 . 1 . . . . 28 K CO . 7165 1 355 . 1 1 28 28 LYS CA C 13 55.712 0.014 . 1 . . . . 28 K CA . 7165 1 356 . 1 1 28 28 LYS CB C 13 33.964 0.052 . 1 . . . . 28 K CB . 7165 1 357 . 1 1 28 28 LYS CG C 13 24.228 0.100 . 1 . . . . 28 K CG . 7165 1 358 . 1 1 28 28 LYS CD C 13 29.299 0.100 . 1 . . . . 28 K CD . 7165 1 359 . 1 1 28 28 LYS CE C 13 42.147 0.100 . 1 . . . . 28 K CE . 7165 1 360 . 1 1 28 28 LYS N N 15 121.450 0.047 . 1 . . . . 28 K N . 7165 1 361 . 1 1 29 29 GLU H H 1 8.335 0.005 . 1 . . . . 29 E HN . 7165 1 362 . 1 1 29 29 GLU HA H 1 4.029 0.004 . 1 . . . . 29 E HA . 7165 1 363 . 1 1 29 29 GLU HB2 H 1 1.982 0.010 . 1 . . . . 29 E HB2 . 7165 1 364 . 1 1 29 29 GLU HB3 H 1 1.846 0.008 . 1 . . . . 29 E HB3 . 7165 1 365 . 1 1 29 29 GLU HG2 H 1 2.334 0.004 . 1 . . . . 29 E HG2 . 7165 1 366 . 1 1 29 29 GLU HG3 H 1 2.334 0.004 . 1 . . . . 29 E HG3 . 7165 1 367 . 1 1 29 29 GLU C C 13 175.113 0.014 . 1 . . . . 29 E CO . 7165 1 368 . 1 1 29 29 GLU CA C 13 56.332 0.091 . 1 . . . . 29 E CA . 7165 1 369 . 1 1 29 29 GLU CB C 13 30.024 0.049 . 1 . . . . 29 E CB . 7165 1 370 . 1 1 29 29 GLU CG C 13 36.208 0.100 . 1 . . . . 29 E CG . 7165 1 371 . 1 1 29 29 GLU N N 15 122.666 0.050 . 1 . . . . 29 E N . 7165 1 372 . 1 1 30 30 ASP H H 1 8.195 0.006 . 1 . . . . 30 D HN . 7165 1 373 . 1 1 30 30 ASP HA H 1 4.373 0.002 . 1 . . . . 30 D HA . 7165 1 374 . 1 1 30 30 ASP HB2 H 1 2.606 0.002 . 1 . . . . 30 D HB2 . 7165 1 375 . 1 1 30 30 ASP HB3 H 1 2.353 0.006 . 1 . . . . 30 D HB3 . 7165 1 376 . 1 1 30 30 ASP C C 13 174.697 0.100 . 1 . . . . 30 D CO . 7165 1 377 . 1 1 30 30 ASP CA C 13 53.837 0.100 . 1 . . . . 30 D CA . 7165 1 378 . 1 1 30 30 ASP CB C 13 40.172 0.100 . 1 . . . . 30 D CB . 7165 1 379 . 1 1 30 30 ASP N N 15 120.860 0.062 . 1 . . . . 30 D N . 7165 1 380 . 1 1 31 31 PRO HA H 1 4.443 0.002 . 1 . . . . 31 P HA . 7165 1 381 . 1 1 31 31 PRO HB2 H 1 2.332 0.005 . 1 . . . . 31 P HB2 . 7165 1 382 . 1 1 31 31 PRO HB3 H 1 1.841 0.007 . 1 . . . . 31 P HB3 . 7165 1 383 . 1 1 31 31 PRO HG2 H 1 2.038 0.010 . 1 . . . . 31 P HG2 . 7165 1 384 . 1 1 31 31 PRO HG3 H 1 1.923 0.010 . 1 . . . . 31 P HG3 . 7165 1 385 . 1 1 31 31 PRO HD2 H 1 3.608 0.002 . 1 . . . . 31 P HD2 . 7165 1 386 . 1 1 31 31 PRO HD3 H 1 3.458 0.003 . 1 . . . . 31 P HD3 . 7165 1 387 . 1 1 31 31 PRO C C 13 174.585 0.016 . 1 . . . . 31 P CO . 7165 1 388 . 1 1 31 31 PRO CA C 13 62.037 0.104 . 1 . . . . 31 P CA . 7165 1 389 . 1 1 31 31 PRO CB C 13 34.877 0.004 . 1 . . . . 31 P CB . 7165 1 390 . 1 1 31 31 PRO CG C 13 24.556 0.100 . 1 . . . . 31 P CG . 7165 1 391 . 1 1 31 31 PRO CD C 13 50.489 0.100 . 1 . . . . 31 P CD . 7165 1 392 . 1 1 32 32 VAL H H 1 9.372 0.007 . 1 . . . . 32 V HN . 7165 1 393 . 1 1 32 32 VAL HA H 1 4.380 0.003 . 1 . . . . 32 V HA . 7165 1 394 . 1 1 32 32 VAL HB H 1 2.005 0.004 . 1 . . . . 32 V HB . 7165 1 395 . 1 1 32 32 VAL HG11 H 1 0.928 0.008 . 1 . . . . 32 V HG1# . 7165 1 396 . 1 1 32 32 VAL HG12 H 1 0.928 0.008 . 1 . . . . 32 V HG1# . 7165 1 397 . 1 1 32 32 VAL HG13 H 1 0.928 0.008 . 1 . . . . 32 V HG1# . 7165 1 398 . 1 1 32 32 VAL HG21 H 1 0.764 0.004 . 1 . . . . 32 V HG2# . 7165 1 399 . 1 1 32 32 VAL HG22 H 1 0.764 0.004 . 1 . . . . 32 V HG2# . 7165 1 400 . 1 1 32 32 VAL HG23 H 1 0.764 0.004 . 1 . . . . 32 V HG2# . 7165 1 401 . 1 1 32 32 VAL C C 13 175.282 0.008 . 1 . . . . 32 V CO . 7165 1 402 . 1 1 32 32 VAL CA C 13 61.364 0.008 . 1 . . . . 32 V CA . 7165 1 403 . 1 1 32 32 VAL CB C 13 32.333 0.034 . 1 . . . . 32 V CB . 7165 1 404 . 1 1 32 32 VAL CG1 C 13 23.665 0.100 . 1 . . . . 32 V CG1 . 7165 1 405 . 1 1 32 32 VAL CG2 C 13 22.740 0.100 . 1 . . . . 32 V CG2 . 7165 1 406 . 1 1 32 32 VAL N N 15 126.222 0.065 . 1 . . . . 32 V N . 7165 1 407 . 1 1 33 33 THR H H 1 9.099 0.006 . 1 . . . . 33 T HN . 7165 1 408 . 1 1 33 33 THR HA H 1 5.630 0.005 . 1 . . . . 33 T HA . 7165 1 409 . 1 1 33 33 THR HB H 1 5.073 0.005 . 1 . . . . 33 T HB . 7165 1 410 . 1 1 33 33 THR HG21 H 1 1.088 0.005 . 1 . . . . 33 T HG2# . 7165 1 411 . 1 1 33 33 THR HG22 H 1 1.088 0.005 . 1 . . . . 33 T HG2# . 7165 1 412 . 1 1 33 33 THR HG23 H 1 1.088 0.005 . 1 . . . . 33 T HG2# . 7165 1 413 . 1 1 33 33 THR C C 13 177.761 0.019 . 1 . . . . 33 T CO . 7165 1 414 . 1 1 33 33 THR CA C 13 59.897 0.111 . 1 . . . . 33 T CA . 7165 1 415 . 1 1 33 33 THR CB C 13 72.406 0.079 . 1 . . . . 33 T CB . 7165 1 416 . 1 1 33 33 THR CG2 C 13 21.703 0.100 . 1 . . . . 33 T CG2 . 7165 1 417 . 1 1 33 33 THR N N 15 116.392 0.043 . 1 . . . . 33 T N . 7165 1 418 . 1 1 34 34 VAL H H 1 8.692 0.007 . 1 . . . . 34 V HN . 7165 1 419 . 1 1 34 34 VAL HA H 1 3.907 0.013 . 1 . . . . 34 V HA . 7165 1 420 . 1 1 34 34 VAL HB H 1 2.573 0.009 . 1 . . . . 34 V HB . 7165 1 421 . 1 1 34 34 VAL HG11 H 1 1.398 0.017 . 1 . . . . 34 V HG1# . 7165 1 422 . 1 1 34 34 VAL HG12 H 1 1.398 0.017 . 1 . . . . 34 V HG1# . 7165 1 423 . 1 1 34 34 VAL HG13 H 1 1.398 0.017 . 1 . . . . 34 V HG1# . 7165 1 424 . 1 1 34 34 VAL HG21 H 1 1.290 0.004 . 1 . . . . 34 V HG2# . 7165 1 425 . 1 1 34 34 VAL HG22 H 1 1.290 0.004 . 1 . . . . 34 V HG2# . 7165 1 426 . 1 1 34 34 VAL HG23 H 1 1.290 0.004 . 1 . . . . 34 V HG2# . 7165 1 427 . 1 1 34 34 VAL C C 13 178.296 0.016 . 1 . . . . 34 V CO . 7165 1 428 . 1 1 34 34 VAL CA C 13 66.809 0.016 . 1 . . . . 34 V CA . 7165 1 429 . 1 1 34 34 VAL CB C 13 31.229 0.125 . 1 . . . . 34 V CB . 7165 1 430 . 1 1 34 34 VAL N N 15 120.709 0.049 . 1 . . . . 34 V N . 7165 1 431 . 1 1 35 35 GLY H H 1 9.430 0.006 . 1 . . . . 35 G HN . 7165 1 432 . 1 1 35 35 GLY HA2 H 1 4.218 0.003 . 1 . . . . 35 G HA2 . 7165 1 433 . 1 1 35 35 GLY HA3 H 1 3.789 0.004 . 1 . . . . 35 G HA3 . 7165 1 434 . 1 1 35 35 GLY C C 13 175.765 0.016 . 1 . . . . 35 G CO . 7165 1 435 . 1 1 35 35 GLY CA C 13 47.919 0.056 . 1 . . . . 35 G CA . 7165 1 436 . 1 1 35 35 GLY N N 15 110.148 0.055 . 1 . . . . 35 G N . 7165 1 437 . 1 1 36 36 ASP H H 1 7.935 0.005 . 1 . . . . 36 D HN . 7165 1 438 . 1 1 36 36 ASP HA H 1 4.398 0.004 . 1 . . . . 36 D HA . 7165 1 439 . 1 1 36 36 ASP HB2 H 1 3.291 0.003 . 1 . . . . 36 D HB2 . 7165 1 440 . 1 1 36 36 ASP HB3 H 1 2.466 0.010 . 1 . . . . 36 D HB3 . 7165 1 441 . 1 1 36 36 ASP C C 13 179.405 0.009 . 1 . . . . 36 D CO . 7165 1 442 . 1 1 36 36 ASP CA C 13 57.700 0.033 . 1 . . . . 36 D CA . 7165 1 443 . 1 1 36 36 ASP CB C 13 40.836 0.059 . 1 . . . . 36 D CB . 7165 1 444 . 1 1 36 36 ASP N N 15 122.738 0.050 . 1 . . . . 36 D N . 7165 1 445 . 1 1 37 37 LEU H H 1 8.226 0.005 . 1 . . . . 37 L HN . 7165 1 446 . 1 1 37 37 LEU HA H 1 4.226 0.007 . 1 . . . . 37 L HA . 7165 1 447 . 1 1 37 37 LEU HB2 H 1 2.613 0.004 . 1 . . . . 37 L HB2 . 7165 1 448 . 1 1 37 37 LEU HB3 H 1 1.474 0.007 . 1 . . . . 37 L HB3 . 7165 1 449 . 1 1 37 37 LEU HG H 1 1.003 0.010 . 1 . . . . 37 L HG . 7165 1 450 . 1 1 37 37 LEU HD11 H 1 1.706 0.006 . 1 . . . . 37 L HD1# . 7165 1 451 . 1 1 37 37 LEU HD12 H 1 1.706 0.006 . 1 . . . . 37 L HD1# . 7165 1 452 . 1 1 37 37 LEU HD13 H 1 1.706 0.006 . 1 . . . . 37 L HD1# . 7165 1 453 . 1 1 37 37 LEU HD21 H 1 0.940 0.003 . 1 . . . . 37 L HD2# . 7165 1 454 . 1 1 37 37 LEU HD22 H 1 0.940 0.003 . 1 . . . . 37 L HD2# . 7165 1 455 . 1 1 37 37 LEU HD23 H 1 0.940 0.003 . 1 . . . . 37 L HD2# . 7165 1 456 . 1 1 37 37 LEU C C 13 177.916 0.030 . 1 . . . . 37 L CO . 7165 1 457 . 1 1 37 37 LEU CA C 13 58.030 0.089 . 1 . . . . 37 L CA . 7165 1 458 . 1 1 37 37 LEU CB C 13 42.039 0.002 . 1 . . . . 37 L CB . 7165 1 459 . 1 1 37 37 LEU CD1 C 13 27.176 0.100 . 1 . . . . 37 L CD1 . 7165 1 460 . 1 1 37 37 LEU CD2 C 13 23.939 0.100 . 1 . . . . 37 L CD2 . 7165 1 461 . 1 1 37 37 LEU N N 15 124.080 0.043 . 1 . . . . 37 L N . 7165 1 462 . 1 1 38 38 ILE H H 1 9.094 0.005 . 1 . . . . 38 I HN . 7165 1 463 . 1 1 38 38 ILE HA H 1 3.591 0.010 . 1 . . . . 38 I HA . 7165 1 464 . 1 1 38 38 ILE HB H 1 2.072 0.012 . 1 . . . . 38 I HB . 7165 1 465 . 1 1 38 38 ILE HG12 H 1 2.103 0.010 . 1 . . . . 38 I HG12 . 7165 1 466 . 1 1 38 38 ILE HG13 H 1 1.036 0.010 . 1 . . . . 38 I HG13 . 7165 1 467 . 1 1 38 38 ILE HG21 H 1 0.917 0.009 . 1 . . . . 38 I HG2# . 7165 1 468 . 1 1 38 38 ILE HG22 H 1 0.917 0.009 . 1 . . . . 38 I HG2# . 7165 1 469 . 1 1 38 38 ILE HG23 H 1 0.917 0.009 . 1 . . . . 38 I HG2# . 7165 1 470 . 1 1 38 38 ILE HD11 H 1 1.084 0.006 . 1 . . . . 38 I HD1# . 7165 1 471 . 1 1 38 38 ILE HD12 H 1 1.084 0.006 . 1 . . . . 38 I HD1# . 7165 1 472 . 1 1 38 38 ILE HD13 H 1 1.084 0.006 . 1 . . . . 38 I HD1# . 7165 1 473 . 1 1 38 38 ILE C C 13 177.128 0.005 . 1 . . . . 38 I CO . 7165 1 474 . 1 1 38 38 ILE CA C 13 66.953 0.057 . 1 . . . . 38 I CA . 7165 1 475 . 1 1 38 38 ILE CB C 13 38.041 0.050 . 1 . . . . 38 I CB . 7165 1 476 . 1 1 38 38 ILE N N 15 121.147 0.049 . 1 . . . . 38 I N . 7165 1 477 . 1 1 39 39 ASP H H 1 7.944 0.006 . 1 . . . . 39 D HN . 7165 1 478 . 1 1 39 39 ASP HA H 1 4.414 0.010 . 1 . . . . 39 D HA . 7165 1 479 . 1 1 39 39 ASP HB2 H 1 2.846 0.007 . 1 . . . . 39 D HB2 . 7165 1 480 . 1 1 39 39 ASP HB3 H 1 2.773 0.005 . 1 . . . . 39 D HB3 . 7165 1 481 . 1 1 39 39 ASP C C 13 179.192 0.031 . 1 . . . . 39 D CO . 7165 1 482 . 1 1 39 39 ASP CA C 13 57.684 0.028 . 1 . . . . 39 D CA . 7165 1 483 . 1 1 39 39 ASP CB C 13 40.448 0.062 . 1 . . . . 39 D CB . 7165 1 484 . 1 1 39 39 ASP N N 15 118.721 0.077 . 1 . . . . 39 D N . 7165 1 485 . 1 1 40 40 HIS H H 1 8.133 0.007 . 1 . . . . 40 H HN . 7165 1 486 . 1 1 40 40 HIS HA H 1 4.265 0.010 . 1 . . . . 40 H HA . 7165 1 487 . 1 1 40 40 HIS HB2 H 1 3.582 0.002 . 1 . . . . 40 H HB2 . 7165 1 488 . 1 1 40 40 HIS HB3 H 1 3.048 0.006 . 1 . . . . 40 H HB3 . 7165 1 489 . 1 1 40 40 HIS C C 13 178.372 0.016 . 1 . . . . 40 H CO . 7165 1 490 . 1 1 40 40 HIS CA C 13 60.533 0.087 . 1 . . . . 40 H CA . 7165 1 491 . 1 1 40 40 HIS CB C 13 31.213 0.024 . 1 . . . . 40 H CB . 7165 1 492 . 1 1 40 40 HIS N N 15 121.550 0.065 . 1 . . . . 40 H N . 7165 1 493 . 1 1 41 41 ILE H H 1 8.974 0.005 . 1 . . . . 41 H HN . 7165 1 494 . 1 1 41 41 ILE HA H 1 3.585 0.005 . 1 . . . . 41 H HA . 7165 1 495 . 1 1 41 41 ILE HB H 1 2.059 0.007 . 1 . . . . 41 H HB . 7165 1 496 . 1 1 41 41 ILE HG12 H 1 2.011 0.002 . 1 . . . . 41 H HG12 . 7165 1 497 . 1 1 41 41 ILE HG13 H 1 1.273 0.004 . 1 . . . . 41 H HG13 . 7165 1 498 . 1 1 41 41 ILE HG21 H 1 0.625 0.007 . 1 . . . . 41 H HG2# . 7165 1 499 . 1 1 41 41 ILE HG22 H 1 0.625 0.007 . 1 . . . . 41 H HG2# . 7165 1 500 . 1 1 41 41 ILE HG23 H 1 0.625 0.007 . 1 . . . . 41 H HG2# . 7165 1 501 . 1 1 41 41 ILE HD11 H 1 0.812 0.010 . 1 . . . . 41 H HD1# . 7165 1 502 . 1 1 41 41 ILE HD12 H 1 0.812 0.010 . 1 . . . . 41 H HD1# . 7165 1 503 . 1 1 41 41 ILE HD13 H 1 0.812 0.010 . 1 . . . . 41 H HD1# . 7165 1 504 . 1 1 41 41 ILE C C 13 178.412 0.019 . 1 . . . . 41 H CO . 7165 1 505 . 1 1 41 41 ILE CA C 13 65.521 0.109 . 1 . . . . 41 H CA . 7165 1 506 . 1 1 41 41 ILE CB C 13 38.676 0.105 . 1 . . . . 41 H CB . 7165 1 507 . 1 1 41 41 ILE CG1 C 13 27.882 0.100 . 1 . . . . 41 H CG1 . 7165 1 508 . 1 1 41 41 ILE CG2 C 13 18.678 0.100 . 1 . . . . 41 H CG2 . 7165 1 509 . 1 1 41 41 ILE CD1 C 13 14.941 0.100 . 1 . . . . 41 H CD1 . 7165 1 510 . 1 1 41 41 ILE N N 15 123.134 0.067 . 1 . . . . 41 H N . 7165 1 511 . 1 1 42 42 VAL H H 1 8.652 0.005 . 1 . . . . 42 V HN . 7165 1 512 . 1 1 42 42 VAL HA H 1 3.514 0.008 . 1 . . . . 42 V HA . 7165 1 513 . 1 1 42 42 VAL HB H 1 2.204 0.006 . 1 . . . . 42 V HB . 7165 1 514 . 1 1 42 42 VAL HG11 H 1 1.178 0.003 . 1 . . . . 42 V HG1# . 7165 1 515 . 1 1 42 42 VAL HG12 H 1 1.178 0.003 . 1 . . . . 42 V HG1# . 7165 1 516 . 1 1 42 42 VAL HG13 H 1 1.178 0.003 . 1 . . . . 42 V HG1# . 7165 1 517 . 1 1 42 42 VAL HG21 H 1 0.967 0.004 . 1 . . . . 42 V HG2# . 7165 1 518 . 1 1 42 42 VAL HG22 H 1 0.967 0.004 . 1 . . . . 42 V HG2# . 7165 1 519 . 1 1 42 42 VAL HG23 H 1 0.967 0.004 . 1 . . . . 42 V HG2# . 7165 1 520 . 1 1 42 42 VAL C C 13 177.740 0.014 . 1 . . . . 42 V CO . 7165 1 521 . 1 1 42 42 VAL CA C 13 66.357 0.059 . 1 . . . . 42 V CA . 7165 1 522 . 1 1 42 42 VAL CB C 13 32.054 0.092 . 1 . . . . 42 V CB . 7165 1 523 . 1 1 42 42 VAL CG1 C 13 23.797 0.100 . 1 . . . . 42 V CG1 . 7165 1 524 . 1 1 42 42 VAL CG2 C 13 22.026 0.100 . 1 . . . . 42 V CG2 . 7165 1 525 . 1 1 42 42 VAL N N 15 118.100 0.042 . 1 . . . . 42 V N . 7165 1 526 . 1 1 43 43 SER H H 1 8.044 0.004 . 1 . . . . 43 S HN . 7165 1 527 . 1 1 43 43 SER HA H 1 4.284 0.004 . 1 . . . . 43 S HA . 7165 1 528 . 1 1 43 43 SER HB2 H 1 3.944 0.011 . 1 . . . . 43 S HB2 . 7165 1 529 . 1 1 43 43 SER HB3 H 1 3.944 0.011 . 1 . . . . 43 S HB3 . 7165 1 530 . 1 1 43 43 SER C C 13 176.235 0.033 . 1 . . . . 43 S CO . 7165 1 531 . 1 1 43 43 SER CA C 13 60.838 0.052 . 1 . . . . 43 S CA . 7165 1 532 . 1 1 43 43 SER CB C 13 64.093 0.198 . 1 . . . . 43 S CB . 7165 1 533 . 1 1 43 43 SER N N 15 111.310 0.057 . 1 . . . . 43 S N . 7165 1 534 . 1 1 44 44 THR H H 1 7.719 0.005 . 1 . . . . 44 T HN . 7165 1 535 . 1 1 44 44 THR HA H 1 4.640 0.001 . 1 . . . . 44 T HA . 7165 1 536 . 1 1 44 44 THR HB H 1 3.898 0.004 . 1 . . . . 44 T HB . 7165 1 537 . 1 1 44 44 THR HG21 H 1 0.998 0.006 . 1 . . . . 44 T HG2# . 7165 1 538 . 1 1 44 44 THR HG22 H 1 0.998 0.006 . 1 . . . . 44 T HG2# . 7165 1 539 . 1 1 44 44 THR HG23 H 1 0.998 0.006 . 1 . . . . 44 T HG2# . 7165 1 540 . 1 1 44 44 THR C C 13 176.014 0.024 . 1 . . . . 44 T CO . 7165 1 541 . 1 1 44 44 THR CA C 13 63.020 0.096 . 1 . . . . 44 T CA . 7165 1 542 . 1 1 44 44 THR CB C 13 71.299 0.129 . 1 . . . . 44 T CB . 7165 1 543 . 1 1 44 44 THR CG2 C 13 21.132 0.100 . 1 . . . . 44 T CG . 7165 1 544 . 1 1 44 44 THR N N 15 108.632 0.066 . 1 . . . . 44 T N . 7165 1 545 . 1 1 45 45 MET H H 1 7.970 0.006 . 1 . . . . 45 M HN . 7165 1 546 . 1 1 45 45 MET HA H 1 4.545 0.001 . 1 . . . . 45 M HA . 7165 1 547 . 1 1 45 45 MET HB2 H 1 2.390 0.010 . 1 . . . . 45 M HB2 . 7165 1 548 . 1 1 45 45 MET HB3 H 1 2.216 0.015 . 1 . . . . 45 M HB3 . 7165 1 549 . 1 1 45 45 MET HG2 H 1 2.477 0.010 . 1 . . . . 45 M HG2 . 7165 1 550 . 1 1 45 45 MET HG3 H 1 2.420 0.010 . 1 . . . . 45 M HG3 . 7165 1 551 . 1 1 45 45 MET C C 13 175.233 0.007 . 1 . . . . 45 M CO . 7165 1 552 . 1 1 45 45 MET CA C 13 57.021 0.052 . 1 . . . . 45 M CA . 7165 1 553 . 1 1 45 45 MET CB C 13 34.888 0.048 . 1 . . . . 45 M CB . 7165 1 554 . 1 1 45 45 MET CG C 13 31.343 0.100 . 1 . . . . 45 M CG . 7165 1 555 . 1 1 45 45 MET N N 15 118.604 0.051 . 1 . . . . 45 M N . 7165 1 556 . 1 1 46 46 ILE H H 1 7.224 0.006 . 1 . . . . 46 I HN . 7165 1 557 . 1 1 46 46 ILE HA H 1 3.873 0.003 . 1 . . . . 46 I HA . 7165 1 558 . 1 1 46 46 ILE HB H 1 1.698 0.004 . 1 . . . . 46 I HB . 7165 1 559 . 1 1 46 46 ILE HG12 H 1 1.484 0.003 . 1 . . . . 46 I HG12 . 7165 1 560 . 1 1 46 46 ILE HG13 H 1 0.279 0.003 . 1 . . . . 46 I HG13 . 7165 1 561 . 1 1 46 46 ILE HG21 H 1 0.596 0.009 . 1 . . . . 46 I HG2# . 7165 1 562 . 1 1 46 46 ILE HG22 H 1 0.596 0.009 . 1 . . . . 46 I HG2# . 7165 1 563 . 1 1 46 46 ILE HG23 H 1 0.596 0.009 . 1 . . . . 46 I HG2# . 7165 1 564 . 1 1 46 46 ILE HD11 H 1 0.625 0.001 . 1 . . . . 46 I HD1# . 7165 1 565 . 1 1 46 46 ILE HD12 H 1 0.625 0.001 . 1 . . . . 46 I HD1# . 7165 1 566 . 1 1 46 46 ILE HD13 H 1 0.625 0.001 . 1 . . . . 46 I HD1# . 7165 1 567 . 1 1 46 46 ILE C C 13 175.718 0.002 . 1 . . . . 46 I CO . 7165 1 568 . 1 1 46 46 ILE CA C 13 61.537 0.031 . 1 . . . . 46 I CA . 7165 1 569 . 1 1 46 46 ILE CB C 13 37.186 0.092 . 1 . . . . 46 I CB . 7165 1 570 . 1 1 46 46 ILE CG1 C 13 27.946 0.100 . 1 . . . . 46 I CG1 . 7165 1 571 . 1 1 46 46 ILE CG2 C 13 18.651 0.100 . 1 . . . . 46 I CG2 . 7165 1 572 . 1 1 46 46 ILE CD1 C 13 14.126 0.100 . 1 . . . . 46 I CD1 . 7165 1 573 . 1 1 46 46 ILE N N 15 119.482 0.062 . 1 . . . . 46 I N . 7165 1 574 . 1 1 47 47 ASN H H 1 8.465 0.005 . 1 . . . . 47 N HN . 7165 1 575 . 1 1 47 47 ASN HA H 1 4.367 0.008 . 1 . . . . 47 N HA . 7165 1 576 . 1 1 47 47 ASN HB2 H 1 2.671 0.004 . 1 . . . . 47 N HB2 . 7165 1 577 . 1 1 47 47 ASN HB3 H 1 2.671 0.004 . 1 . . . . 47 N HB3 . 7165 1 578 . 1 1 47 47 ASN HD21 H 1 7.517 0.007 . 1 . . . . 47 N HD21 . 7165 1 579 . 1 1 47 47 ASN HD22 H 1 6.801 0.001 . 1 . . . . 47 N HD22 . 7165 1 580 . 1 1 47 47 ASN C C 13 174.669 0.100 . 1 . . . . 47 N CO . 7165 1 581 . 1 1 47 47 ASN CA C 13 55.644 0.043 . 1 . . . . 47 N CA . 7165 1 582 . 1 1 47 47 ASN CB C 13 39.349 0.082 . 1 . . . . 47 N CB . 7165 1 583 . 1 1 47 47 ASN N N 15 125.831 0.060 . 1 . . . . 47 N N . 7165 1 584 . 1 1 47 47 ASN ND2 N 15 112.279 0.002 . 1 . . . . 47 N ND2 . 7165 1 585 . 1 1 48 48 ASN H H 1 7.909 0.005 . 1 . . . . 48 N HN . 7165 1 586 . 1 1 48 48 ASN HA H 1 5.086 0.008 . 1 . . . . 48 N HA . 7165 1 587 . 1 1 48 48 ASN HB2 H 1 3.036 0.005 . 1 . . . . 48 N HB2 . 7165 1 588 . 1 1 48 48 ASN HB3 H 1 2.611 0.008 . 1 . . . . 48 N HB3 . 7165 1 589 . 1 1 48 48 ASN HD21 H 1 7.497 0.004 . 1 . . . . 48 N HD21 . 7165 1 590 . 1 1 48 48 ASN HD22 H 1 7.002 0.001 . 1 . . . . 48 N HD22 . 7165 1 591 . 1 1 48 48 ASN C C 13 174.160 0.100 . 1 . . . . 48 N CO . 7165 1 592 . 1 1 48 48 ASN CA C 13 49.442 0.055 . 1 . . . . 48 N CA . 7165 1 593 . 1 1 48 48 ASN CB C 13 39.106 0.006 . 1 . . . . 48 N CB . 7165 1 594 . 1 1 48 48 ASN N N 15 117.704 0.038 . 1 . . . . 48 N N . 7165 1 595 . 1 1 48 48 ASN ND2 N 15 113.005 0.044 . 1 . . . . 48 N ND2 . 7165 1 596 . 1 1 49 49 PRO HA H 1 4.262 0.008 . 1 . . . . 49 P HA . 7165 1 597 . 1 1 49 49 PRO HB2 H 1 2.354 0.007 . 1 . . . . 49 P HB2 . 7165 1 598 . 1 1 49 49 PRO HB3 H 1 1.932 0.010 . 1 . . . . 49 P HB3 . 7165 1 599 . 1 1 49 49 PRO HG2 H 1 1.995 0.010 . 1 . . . . 49 P HG2 . 7165 1 600 . 1 1 49 49 PRO HG3 H 1 1.995 0.010 . 1 . . . . 49 P HG3 . 7165 1 601 . 1 1 49 49 PRO HD2 H 1 3.910 0.010 . 1 . . . . 49 P HD2 . 7165 1 602 . 1 1 49 49 PRO HD3 H 1 3.875 0.010 . 1 . . . . 49 P HD3 . 7165 1 603 . 1 1 49 49 PRO C C 13 179.059 0.003 . 1 . . . . 49 P CO . 7165 1 604 . 1 1 49 49 PRO CA C 13 64.712 0.034 . 1 . . . . 49 P CA . 7165 1 605 . 1 1 49 49 PRO CB C 13 32.138 0.054 . 1 . . . . 49 P CB . 7165 1 606 . 1 1 49 49 PRO CG C 13 27.234 0.100 . 1 . . . . 49 P CG . 7165 1 607 . 1 1 49 49 PRO CD C 13 51.165 0.100 . 1 . . . . 49 P CD . 7165 1 608 . 1 1 50 50 ASN H H 1 8.195 0.005 . 1 . . . . 50 N HN . 7165 1 609 . 1 1 50 50 ASN HA H 1 4.455 0.005 . 1 . . . . 50 N HA . 7165 1 610 . 1 1 50 50 ASN HB2 H 1 2.759 0.007 . 1 . . . . 50 N HB2 . 7165 1 611 . 1 1 50 50 ASN HB3 H 1 2.578 0.006 . 1 . . . . 50 N HB3 . 7165 1 612 . 1 1 50 50 ASN HD21 H 1 7.675 0.010 . 1 . . . . 50 N HD21 . 7165 1 613 . 1 1 50 50 ASN HD22 H 1 6.950 0.010 . 1 . . . . 50 N HD22 . 7165 1 614 . 1 1 50 50 ASN C C 13 176.229 0.007 . 1 . . . . 50 N CO . 7165 1 615 . 1 1 50 50 ASN CA C 13 55.265 0.104 . 1 . . . . 50 N CA . 7165 1 616 . 1 1 50 50 ASN CB C 13 38.093 0.094 . 1 . . . . 50 N CB . 7165 1 617 . 1 1 50 50 ASN N N 15 115.499 0.053 . 1 . . . . 50 N N . 7165 1 618 . 1 1 50 50 ASN ND2 N 15 113.585 0.026 . 1 . . . . 50 N ND2 . 7165 1 619 . 1 1 51 51 ASP H H 1 8.118 0.004 . 1 . . . . 51 D HN . 7165 1 620 . 1 1 51 51 ASP HA H 1 4.548 0.008 . 1 . . . . 51 D HA . 7165 1 621 . 1 1 51 51 ASP HB2 H 1 2.729 0.002 . 1 . . . . 51 D HB2 . 7165 1 622 . 1 1 51 51 ASP HB3 H 1 2.526 0.010 . 1 . . . . 51 D HB3 . 7165 1 623 . 1 1 51 51 ASP C C 13 177.533 0.060 . 1 . . . . 51 D CO . 7165 1 624 . 1 1 51 51 ASP CA C 13 55.367 0.052 . 1 . . . . 51 D CA . 7165 1 625 . 1 1 51 51 ASP CB C 13 41.005 0.087 . 1 . . . . 51 D CB . 7165 1 626 . 1 1 51 51 ASP N N 15 118.400 0.051 . 1 . . . . 51 D N . 7165 1 627 . 1 1 52 52 VAL H H 1 7.216 0.004 . 1 . . . . 52 V HN . 7165 1 628 . 1 1 52 52 VAL HA H 1 3.475 0.004 . 1 . . . . 52 V HA . 7165 1 629 . 1 1 52 52 VAL HB H 1 2.104 0.008 . 1 . . . . 52 V HB . 7165 1 630 . 1 1 52 52 VAL HG11 H 1 1.083 0.001 . 1 . . . . 52 V HG1# . 7165 1 631 . 1 1 52 52 VAL HG12 H 1 1.083 0.001 . 1 . . . . 52 V HG1# . 7165 1 632 . 1 1 52 52 VAL HG13 H 1 1.083 0.001 . 1 . . . . 52 V HG1# . 7165 1 633 . 1 1 52 52 VAL HG21 H 1 0.964 0.002 . 1 . . . . 52 V HG2# . 7165 1 634 . 1 1 52 52 VAL HG22 H 1 0.964 0.002 . 1 . . . . 52 V HG2# . 7165 1 635 . 1 1 52 52 VAL HG23 H 1 0.964 0.002 . 1 . . . . 52 V HG2# . 7165 1 636 . 1 1 52 52 VAL C C 13 177.458 0.008 . 1 . . . . 52 V CO . 7165 1 637 . 1 1 52 52 VAL CA C 13 67.422 0.048 . 1 . . . . 52 V CA . 7165 1 638 . 1 1 52 52 VAL CB C 13 31.690 0.064 . 1 . . . . 52 V CB . 7165 1 639 . 1 1 52 52 VAL CG1 C 13 23.516 0.100 . 1 . . . . 52 V CG1 . 7165 1 640 . 1 1 52 52 VAL CG2 C 13 21.620 0.100 . 1 . . . . 52 V CG2 . 7165 1 641 . 1 1 52 52 VAL N N 15 120.361 0.070 . 1 . . . . 52 V N . 7165 1 642 . 1 1 53 53 SER H H 1 7.701 0.007 . 1 . . . . 53 S HN . 7165 1 643 . 1 1 53 53 SER HA H 1 4.680 0.010 . 1 . . . . 53 S HA . 7165 1 644 . 1 1 53 53 SER HB2 H 1 3.986 0.012 . 1 . . . . 53 S HB2 . 7165 1 645 . 1 1 53 53 SER HB3 H 1 3.904 0.008 . 1 . . . . 53 S HB3 . 7165 1 646 . 1 1 53 53 SER C C 13 175.103 0.100 . 1 . . . . 53 S CO . 7165 1 647 . 1 1 53 53 SER CA C 13 59.815 0.050 . 1 . . . . 53 S CA . 7165 1 648 . 1 1 53 53 SER CB C 13 63.103 0.100 . 1 . . . . 53 S CB . 7165 1 649 . 1 1 53 53 SER N N 15 111.026 0.045 . 1 . . . . 53 S N . 7165 1 650 . 1 1 54 54 ILE H H 1 7.501 0.006 . 1 . . . . 54 I HN . 7165 1 651 . 1 1 54 54 ILE HA H 1 3.765 0.005 . 1 . . . . 54 I HA . 7165 1 652 . 1 1 54 54 ILE HB H 1 2.065 0.004 . 1 . . . . 54 I HB . 7165 1 653 . 1 1 54 54 ILE HG12 H 1 1.521 0.003 . 1 . . . . 54 I HG12 . 7165 1 654 . 1 1 54 54 ILE HG13 H 1 1.172 0.005 . 1 . . . . 54 I HG13 . 7165 1 655 . 1 1 54 54 ILE HG21 H 1 0.807 0.009 . 1 . . . . 54 I HG2# . 7165 1 656 . 1 1 54 54 ILE HG22 H 1 0.807 0.009 . 1 . . . . 54 I HG2# . 7165 1 657 . 1 1 54 54 ILE HG23 H 1 0.807 0.009 . 1 . . . . 54 I HG2# . 7165 1 658 . 1 1 54 54 ILE HD11 H 1 0.788 0.001 . 1 . . . . 54 I HD1# . 7165 1 659 . 1 1 54 54 ILE HD12 H 1 0.788 0.001 . 1 . . . . 54 I HD1# . 7165 1 660 . 1 1 54 54 ILE HD13 H 1 0.788 0.001 . 1 . . . . 54 I HD1# . 7165 1 661 . 1 1 54 54 ILE C C 13 174.518 0.017 . 1 . . . . 54 I CO . 7165 1 662 . 1 1 54 54 ILE CA C 13 63.062 0.051 . 1 . . . . 54 I CA . 7165 1 663 . 1 1 54 54 ILE CB C 13 37.043 0.093 . 1 . . . . 54 I CB . 7165 1 664 . 1 1 54 54 ILE CG1 C 13 28.972 0.100 . 1 . . . . 54 I CG1 . 7165 1 665 . 1 1 54 54 ILE CG2 C 13 17.618 0.100 . 1 . . . . 54 I CG2 . 7165 1 666 . 1 1 54 54 ILE CD1 C 13 12.451 0.100 . 1 . . . . 54 I CD1 . 7165 1 667 . 1 1 54 54 ILE N N 15 121.949 0.041 . 1 . . . . 54 I N . 7165 1 668 . 1 1 55 55 PHE H H 1 7.303 0.006 . 1 . . . . 55 F HN . 7165 1 669 . 1 1 55 55 PHE HA H 1 4.664 0.003 . 1 . . . . 55 F HA . 7165 1 670 . 1 1 55 55 PHE HB2 H 1 2.868 0.004 . 1 . . . . 55 F HB2 . 7165 1 671 . 1 1 55 55 PHE HB3 H 1 2.774 0.006 . 1 . . . . 55 F HB3 . 7165 1 672 . 1 1 55 55 PHE HD1 H 1 6.979 0.010 . 1 . . . . 55 F HD2 . 7165 1 673 . 1 1 55 55 PHE HD2 H 1 6.979 0.010 . 1 . . . . 55 F HD3 . 7165 1 674 . 1 1 55 55 PHE C C 13 174.031 0.002 . 1 . . . . 55 F CO . 7165 1 675 . 1 1 55 55 PHE CA C 13 58.022 0.099 . 1 . . . . 55 F CA . 7165 1 676 . 1 1 55 55 PHE CB C 13 43.507 0.061 . 1 . . . . 55 F CB . 7165 1 677 . 1 1 55 55 PHE N N 15 118.624 0.055 . 1 . . . . 55 F N . 7165 1 678 . 1 1 56 56 ILE H H 1 8.149 0.006 . 1 . . . . 56 I HN . 7165 1 679 . 1 1 56 56 ILE HA H 1 4.636 0.002 . 1 . . . . 56 I HA . 7165 1 680 . 1 1 56 56 ILE HB H 1 1.666 0.006 . 1 . . . . 56 I HB . 7165 1 681 . 1 1 56 56 ILE HG12 H 1 1.248 0.002 . 1 . . . . 56 I HG12 . 7165 1 682 . 1 1 56 56 ILE HG13 H 1 1.248 0.002 . 1 . . . . 56 I HG13 . 7165 1 683 . 1 1 56 56 ILE HG21 H 1 0.640 0.003 . 1 . . . . 56 I HG2# . 7165 1 684 . 1 1 56 56 ILE HG22 H 1 0.640 0.003 . 1 . . . . 56 I HG2# . 7165 1 685 . 1 1 56 56 ILE HG23 H 1 0.640 0.003 . 1 . . . . 56 I HG2# . 7165 1 686 . 1 1 56 56 ILE HD11 H 1 0.388 0.004 . 1 . . . . 56 I HD1# . 7165 1 687 . 1 1 56 56 ILE HD12 H 1 0.388 0.004 . 1 . . . . 56 I HD1# . 7165 1 688 . 1 1 56 56 ILE HD13 H 1 0.388 0.004 . 1 . . . . 56 I HD1# . 7165 1 689 . 1 1 56 56 ILE C C 13 175.721 0.002 . 1 . . . . 56 I CO . 7165 1 690 . 1 1 56 56 ILE CA C 13 57.387 0.050 . 1 . . . . 56 I CA . 7165 1 691 . 1 1 56 56 ILE CB C 13 40.270 0.123 . 1 . . . . 56 I CB . 7165 1 692 . 1 1 56 56 ILE CG1 C 13 26.943 0.100 . 1 . . . . 56 I CG1 . 7165 1 693 . 1 1 56 56 ILE N N 15 114.609 0.040 . 1 . . . . 56 I N . 7165 1 694 . 1 1 57 57 GLU H H 1 8.525 0.006 . 1 . . . . 57 E HN . 7165 1 695 . 1 1 57 57 GLU HA H 1 4.360 0.004 . 1 . . . . 57 E HA . 7165 1 696 . 1 1 57 57 GLU HB2 H 1 1.843 0.010 . 1 . . . . 57 E HB2 . 7165 1 697 . 1 1 57 57 GLU HB3 H 1 1.799 0.010 . 1 . . . . 57 E HB3 . 7165 1 698 . 1 1 57 57 GLU HG2 H 1 2.137 0.005 . 1 . . . . 57 E HG2 . 7165 1 699 . 1 1 57 57 GLU HG3 H 1 2.030 0.007 . 1 . . . . 57 E HG3 . 7165 1 700 . 1 1 57 57 GLU C C 13 175.283 0.008 . 1 . . . . 57 E CO . 7165 1 701 . 1 1 57 57 GLU CA C 13 55.764 0.028 . 1 . . . . 57 E CA . 7165 1 702 . 1 1 57 57 GLU CB C 13 33.720 0.006 . 1 . . . . 57 E CB . 7165 1 703 . 1 1 57 57 GLU CG C 13 36.670 0.100 . 1 . . . . 57 E CG . 7165 1 704 . 1 1 57 57 GLU N N 15 124.071 0.049 . 1 . . . . 57 E N . 7165 1 705 . 1 1 58 58 ASP H H 1 9.336 0.005 . 1 . . . . 58 D HN . 7165 1 706 . 1 1 58 58 ASP HA H 1 4.128 0.003 . 1 . . . . 58 D HA . 7165 1 707 . 1 1 58 58 ASP HB2 H 1 2.846 0.009 . 1 . . . . 58 D HB2 . 7165 1 708 . 1 1 58 58 ASP HB3 H 1 2.640 0.005 . 1 . . . . 58 D HB3 . 7165 1 709 . 1 1 58 58 ASP C C 13 174.630 0.029 . 1 . . . . 58 D CO . 7165 1 710 . 1 1 58 58 ASP CA C 13 56.279 0.065 . 1 . . . . 58 D CA . 7165 1 711 . 1 1 58 58 ASP CB C 13 39.072 0.039 . 1 . . . . 58 D CB . 7165 1 712 . 1 1 58 58 ASP N N 15 128.116 0.059 . 1 . . . . 58 D N . 7165 1 713 . 1 1 59 59 ASP H H 1 8.358 0.004 . 1 . . . . 59 D HN . 7165 1 714 . 1 1 59 59 ASP HA H 1 4.307 0.003 . 1 . . . . 59 D HA . 7165 1 715 . 1 1 59 59 ASP HB2 H 1 2.821 0.007 . 1 . . . . 59 D HB2 . 7165 1 716 . 1 1 59 59 ASP HB3 H 1 2.720 0.007 . 1 . . . . 59 D HB3 . 7165 1 717 . 1 1 59 59 ASP C C 13 174.972 0.100 . 1 . . . . 59 D CO . 7165 1 718 . 1 1 59 59 ASP CA C 13 55.207 0.082 . 1 . . . . 59 D CA . 7165 1 719 . 1 1 59 59 ASP CB C 13 40.745 0.101 . 1 . . . . 59 D CB . 7165 1 720 . 1 1 59 59 ASP N N 15 114.295 0.061 . 1 . . . . 59 D N . 7165 1 721 . 1 1 60 60 SER H H 1 7.727 0.005 . 1 . . . . 60 S HN . 7165 1 722 . 1 1 60 60 SER HA H 1 4.604 0.008 . 1 . . . . 60 S HA . 7165 1 723 . 1 1 60 60 SER HB2 H 1 3.881 0.009 . 1 . . . . 60 S HB2 . 7165 1 724 . 1 1 60 60 SER HB3 H 1 3.740 0.008 . 1 . . . . 60 S HB3 . 7165 1 725 . 1 1 60 60 SER C C 13 173.008 0.026 . 1 . . . . 60 S CO . 7165 1 726 . 1 1 60 60 SER CA C 13 55.977 0.023 . 1 . . . . 60 S CA . 7165 1 727 . 1 1 60 60 SER CB C 13 64.737 0.123 . 1 . . . . 60 S CB . 7165 1 728 . 1 1 60 60 SER N N 15 113.433 0.053 . 1 . . . . 60 S N . 7165 1 729 . 1 1 61 61 ILE H H 1 8.095 0.009 . 1 . . . . 61 I HN . 7165 1 730 . 1 1 61 61 ILE HA H 1 3.821 0.009 . 1 . . . . 61 I HA . 7165 1 731 . 1 1 61 61 ILE HB H 1 1.798 0.006 . 1 . . . . 61 I HB . 7165 1 732 . 1 1 61 61 ILE HG12 H 1 1.240 0.006 . 1 . . . . 61 I HG12 . 7165 1 733 . 1 1 61 61 ILE HG13 H 1 1.146 0.007 . 1 . . . . 61 I HG13 . 7165 1 734 . 1 1 61 61 ILE HG21 H 1 0.711 0.004 . 1 . . . . 61 I HG2# . 7165 1 735 . 1 1 61 61 ILE HG22 H 1 0.711 0.004 . 1 . . . . 61 I HG2# . 7165 1 736 . 1 1 61 61 ILE HG23 H 1 0.711 0.004 . 1 . . . . 61 I HG2# . 7165 1 737 . 1 1 61 61 ILE HD11 H 1 -0.036 0.010 . 1 . . . . 61 I HD1# . 7165 1 738 . 1 1 61 61 ILE HD12 H 1 -0.036 0.010 . 1 . . . . 61 I HD1# . 7165 1 739 . 1 1 61 61 ILE HD13 H 1 -0.036 0.010 . 1 . . . . 61 I HD1# . 7165 1 740 . 1 1 61 61 ILE C C 13 177.481 0.010 . 1 . . . . 61 I CO . 7165 1 741 . 1 1 61 61 ILE CA C 13 59.591 0.019 . 1 . . . . 61 I CA . 7165 1 742 . 1 1 61 61 ILE CB C 13 36.082 0.059 . 1 . . . . 61 I CB . 7165 1 743 . 1 1 61 61 ILE CG1 C 13 26.963 0.100 . 1 . . . . 61 I CG1 . 7165 1 744 . 1 1 61 61 ILE CG2 C 13 18.230 0.100 . 1 . . . . 61 I CG2 . 7165 1 745 . 1 1 61 61 ILE N N 15 121.433 0.048 . 1 . . . . 61 I N . 7165 1 746 . 1 1 62 62 ARG H H 1 8.185 0.007 . 1 . . . . 62 R HN . 7165 1 747 . 1 1 62 62 ARG HA H 1 4.123 0.010 . 1 . . . . 62 R HA . 7165 1 748 . 1 1 62 62 ARG HB2 H 1 1.598 0.003 . 1 . . . . 62 R HB2 . 7165 1 749 . 1 1 62 62 ARG HB3 H 1 1.278 0.003 . 1 . . . . 62 R HB3 . 7165 1 750 . 1 1 62 62 ARG HG2 H 1 1.699 0.001 . 1 . . . . 62 R HG2 . 7165 1 751 . 1 1 62 62 ARG HG3 H 1 1.507 0.006 . 1 . . . . 62 R HG3 . 7165 1 752 . 1 1 62 62 ARG HD2 H 1 3.123 0.010 . 1 . . . . 62 R HD2 . 7165 1 753 . 1 1 62 62 ARG HD3 H 1 3.123 0.010 . 1 . . . . 62 R HD3 . 7165 1 754 . 1 1 62 62 ARG C C 13 173.086 0.100 . 1 . . . . 62 R CO . 7165 1 755 . 1 1 62 62 ARG CA C 13 55.333 0.100 . 1 . . . . 62 R CA . 7165 1 756 . 1 1 62 62 ARG CB C 13 30.483 0.100 . 1 . . . . 62 R CB . 7165 1 757 . 1 1 62 62 ARG N N 15 131.065 0.083 . 1 . . . . 62 R N . 7165 1 758 . 1 1 63 63 PRO HA H 1 4.403 0.002 . 1 . . . . 63 P HA . 7165 1 759 . 1 1 63 63 PRO HB2 H 1 2.311 0.006 . 1 . . . . 63 P HB2 . 7165 1 760 . 1 1 63 63 PRO HB3 H 1 1.811 0.005 . 1 . . . . 63 P HB3 . 7165 1 761 . 1 1 63 63 PRO HG2 H 1 2.113 0.007 . 1 . . . . 63 P HG2 . 7165 1 762 . 1 1 63 63 PRO HG3 H 1 2.015 0.007 . 1 . . . . 63 P HG3 . 7165 1 763 . 1 1 63 63 PRO HD2 H 1 3.995 0.010 . 1 . . . . 63 P HD2 . 7165 1 764 . 1 1 63 63 PRO HD3 H 1 3.557 0.010 . 1 . . . . 63 P HD3 . 7165 1 765 . 1 1 63 63 PRO C C 13 177.107 0.006 . 1 . . . . 63 P CO . 7165 1 766 . 1 1 63 63 PRO CA C 13 64.121 0.028 . 1 . . . . 63 P CA . 7165 1 767 . 1 1 63 63 PRO CB C 13 31.677 0.117 . 1 . . . . 63 P CB . 7165 1 768 . 1 1 63 63 PRO CG C 13 27.885 0.100 . 1 . . . . 63 P CG . 7165 1 769 . 1 1 63 63 PRO CD C 13 51.598 0.100 . 1 . . . . 63 P CD . 7165 1 770 . 1 1 64 64 GLY H H 1 8.707 0.005 . 1 . . . . 64 G HN . 7165 1 771 . 1 1 64 64 GLY HA2 H 1 4.397 0.003 . 1 . . . . 64 G HA2 . 7165 1 772 . 1 1 64 64 GLY HA3 H 1 3.500 0.002 . 1 . . . . 64 G HA3 . 7165 1 773 . 1 1 64 64 GLY C C 13 174.684 0.013 . 1 . . . . 64 G CO . 7165 1 774 . 1 1 64 64 GLY CA C 13 44.540 0.051 . 1 . . . . 64 G CA . 7165 1 775 . 1 1 64 64 GLY N N 15 112.567 0.059 . 1 . . . . 64 G N . 7165 1 776 . 1 1 65 65 ILE H H 1 7.986 0.005 . 1 . . . . 65 I HN . 7165 1 777 . 1 1 65 65 ILE HA H 1 4.803 0.005 . 1 . . . . 65 I HA . 7165 1 778 . 1 1 65 65 ILE HB H 1 2.049 0.005 . 1 . . . . 65 I HB . 7165 1 779 . 1 1 65 65 ILE HG12 H 1 1.718 0.015 . 1 . . . . 65 I HG12 . 7165 1 780 . 1 1 65 65 ILE HG13 H 1 0.898 0.007 . 1 . . . . 65 I HG13 . 7165 1 781 . 1 1 65 65 ILE HG21 H 1 0.771 0.016 . 1 . . . . 65 I HG2# . 7165 1 782 . 1 1 65 65 ILE HG22 H 1 0.771 0.016 . 1 . . . . 65 I HG2# . 7165 1 783 . 1 1 65 65 ILE HG23 H 1 0.771 0.016 . 1 . . . . 65 I HG2# . 7165 1 784 . 1 1 65 65 ILE HD11 H 1 1.163 0.010 . 1 . . . . 65 I HD1# . 7165 1 785 . 1 1 65 65 ILE HD12 H 1 1.163 0.010 . 1 . . . . 65 I HD1# . 7165 1 786 . 1 1 65 65 ILE HD13 H 1 1.163 0.010 . 1 . . . . 65 I HD1# . 7165 1 787 . 1 1 65 65 ILE C C 13 175.834 0.011 . 1 . . . . 65 I CO . 7165 1 788 . 1 1 65 65 ILE CA C 13 60.784 0.015 . 1 . . . . 65 I CA . 7165 1 789 . 1 1 65 65 ILE CB C 13 37.399 0.081 . 1 . . . . 65 I CB . 7165 1 790 . 1 1 65 65 ILE CG1 C 13 28.476 0.100 . 1 . . . . 65 I CG1 . 7165 1 791 . 1 1 65 65 ILE CG2 C 13 18.247 0.100 . 1 . . . . 65 I CG2 . 7165 1 792 . 1 1 65 65 ILE CD1 C 13 14.738 0.100 . 1 . . . . 65 I CD1 . 7165 1 793 . 1 1 65 65 ILE N N 15 122.931 0.060 . 1 . . . . 65 I N . 7165 1 794 . 1 1 66 66 ILE H H 1 9.016 0.006 . 1 . . . . 66 I HN . 7165 1 795 . 1 1 66 66 ILE HA H 1 4.285 0.003 . 1 . . . . 66 I HA . 7165 1 796 . 1 1 66 66 ILE HB H 1 1.714 0.006 . 1 . . . . 66 I HB . 7165 1 797 . 1 1 66 66 ILE HG12 H 1 1.514 0.004 . 1 . . . . 66 I HG12 . 7165 1 798 . 1 1 66 66 ILE HG13 H 1 1.195 0.007 . 1 . . . . 66 I HG13 . 7165 1 799 . 1 1 66 66 ILE HG21 H 1 0.814 0.008 . 1 . . . . 66 I HG2# . 7165 1 800 . 1 1 66 66 ILE HG22 H 1 0.814 0.008 . 1 . . . . 66 I HG2# . 7165 1 801 . 1 1 66 66 ILE HG23 H 1 0.814 0.008 . 1 . . . . 66 I HG2# . 7165 1 802 . 1 1 66 66 ILE HD11 H 1 0.800 0.002 . 1 . . . . 66 I HD1# . 7165 1 803 . 1 1 66 66 ILE HD12 H 1 0.800 0.002 . 1 . . . . 66 I HD1# . 7165 1 804 . 1 1 66 66 ILE HD13 H 1 0.800 0.002 . 1 . . . . 66 I HD1# . 7165 1 805 . 1 1 66 66 ILE C C 13 176.093 0.042 . 1 . . . . 66 I CO . 7165 1 806 . 1 1 66 66 ILE CA C 13 60.232 0.115 . 1 . . . . 66 I CA . 7165 1 807 . 1 1 66 66 ILE CB C 13 39.383 0.085 . 1 . . . . 66 I CB . 7165 1 808 . 1 1 66 66 ILE CG1 C 13 27.292 0.181 . 1 . . . . 66 I CG1 . 7165 1 809 . 1 1 66 66 ILE CG2 C 13 17.529 0.100 . 1 . . . . 66 I CG2 . 7165 1 810 . 1 1 66 66 ILE CD1 C 13 12.848 0.100 . 1 . . . . 66 I CD1 . 7165 1 811 . 1 1 66 66 ILE N N 15 130.976 0.070 . 1 . . . . 66 I N . 7165 1 812 . 1 1 67 67 THR H H 1 8.329 0.008 . 1 . . . . 67 T HN . 7165 1 813 . 1 1 67 67 THR HA H 1 4.708 0.008 . 1 . . . . 67 T HA . 7165 1 814 . 1 1 67 67 THR HB H 1 1.843 0.005 . 1 . . . . 67 T HB . 7165 1 815 . 1 1 67 67 THR HG21 H 1 -0.131 0.002 . 1 . . . . 67 T HG2# . 7165 1 816 . 1 1 67 67 THR HG22 H 1 -0.131 0.002 . 1 . . . . 67 T HG2# . 7165 1 817 . 1 1 67 67 THR HG23 H 1 -0.131 0.002 . 1 . . . . 67 T HG2# . 7165 1 818 . 1 1 67 67 THR C C 13 173.641 0.031 . 1 . . . . 67 T CO . 7165 1 819 . 1 1 67 67 THR CA C 13 62.619 0.065 . 1 . . . . 67 T CA . 7165 1 820 . 1 1 67 67 THR CB C 13 68.083 0.010 . 1 . . . . 67 T CB . 7165 1 821 . 1 1 67 67 THR CG2 C 13 21.298 0.100 . 1 . . . . 67 T CG . 7165 1 822 . 1 1 67 67 THR N N 15 128.996 0.089 . 1 . . . . 67 T N . 7165 1 823 . 1 1 68 68 LEU H H 1 8.671 0.006 . 1 . . . . 68 L HN . 7165 1 824 . 1 1 68 68 LEU HA H 1 4.890 0.011 . 1 . . . . 68 L HA . 7165 1 825 . 1 1 68 68 LEU HB2 H 1 1.707 0.009 . 1 . . . . 68 L HB2 . 7165 1 826 . 1 1 68 68 LEU HB3 H 1 0.708 0.012 . 1 . . . . 68 L HB3 . 7165 1 827 . 1 1 68 68 LEU HG H 1 1.381 0.010 . 1 . . . . 68 L HG . 7165 1 828 . 1 1 68 68 LEU HD11 H 1 1.389 0.010 . 1 . . . . 68 L HD1# . 7165 1 829 . 1 1 68 68 LEU HD12 H 1 1.389 0.010 . 1 . . . . 68 L HD1# . 7165 1 830 . 1 1 68 68 LEU HD13 H 1 1.389 0.010 . 1 . . . . 68 L HD1# . 7165 1 831 . 1 1 68 68 LEU HD21 H 1 0.580 0.008 . 1 . . . . 68 L HD2# . 7165 1 832 . 1 1 68 68 LEU HD22 H 1 0.580 0.008 . 1 . . . . 68 L HD2# . 7165 1 833 . 1 1 68 68 LEU HD23 H 1 0.580 0.008 . 1 . . . . 68 L HD2# . 7165 1 834 . 1 1 68 68 LEU C C 13 175.645 0.004 . 1 . . . . 68 L CO . 7165 1 835 . 1 1 68 68 LEU CA C 13 52.295 0.134 . 1 . . . . 68 L CA . 7165 1 836 . 1 1 68 68 LEU CB C 13 44.878 0.074 . 1 . . . . 68 L CB . 7165 1 837 . 1 1 68 68 LEU CD1 C 13 26.006 0.100 . 1 . . . . 68 L CD1 . 7165 1 838 . 1 1 68 68 LEU CD2 C 13 22.565 0.100 . 1 . . . . 68 L CD2 . 7165 1 839 . 1 1 68 68 LEU N N 15 125.731 0.051 . 1 . . . . 68 L N . 7165 1 840 . 1 1 69 69 ILE H H 1 8.963 0.007 . 1 . . . . 69 I HN . 7165 1 841 . 1 1 69 69 ILE HA H 1 4.202 0.002 . 1 . . . . 69 I HA . 7165 1 842 . 1 1 69 69 ILE HB H 1 1.159 0.006 . 1 . . . . 69 I HB . 7165 1 843 . 1 1 69 69 ILE HG12 H 1 1.306 0.001 . 1 . . . . 69 I HG12 . 7165 1 844 . 1 1 69 69 ILE HG13 H 1 0.120 0.003 . 1 . . . . 69 I HG13 . 7165 1 845 . 1 1 69 69 ILE HG21 H 1 0.047 0.005 . 1 . . . . 69 I HG2# . 7165 1 846 . 1 1 69 69 ILE HG22 H 1 0.047 0.005 . 1 . . . . 69 I HG2# . 7165 1 847 . 1 1 69 69 ILE HG23 H 1 0.047 0.005 . 1 . . . . 69 I HG2# . 7165 1 848 . 1 1 69 69 ILE HD11 H 1 0.651 0.008 . 1 . . . . 69 I HD1# . 7165 1 849 . 1 1 69 69 ILE HD12 H 1 0.651 0.008 . 1 . . . . 69 I HD1# . 7165 1 850 . 1 1 69 69 ILE HD13 H 1 0.651 0.008 . 1 . . . . 69 I HD1# . 7165 1 851 . 1 1 69 69 ILE C C 13 176.267 0.017 . 1 . . . . 69 I CO . 7165 1 852 . 1 1 69 69 ILE CA C 13 59.882 0.053 . 1 . . . . 69 I CA . 7165 1 853 . 1 1 69 69 ILE CB C 13 39.689 0.113 . 1 . . . . 69 I CB . 7165 1 854 . 1 1 69 69 ILE CG1 C 13 26.803 0.100 . 1 . . . . 69 I CG1 . 7165 1 855 . 1 1 69 69 ILE CD1 C 13 15.403 0.100 . 1 . . . . 69 I CD1 . 7165 1 856 . 1 1 69 69 ILE N N 15 120.419 0.057 . 1 . . . . 69 I N . 7165 1 857 . 1 1 70 70 ASN H H 1 9.781 0.011 . 1 . . . . 70 N HN . 7165 1 858 . 1 1 70 70 ASN HA H 1 4.224 0.004 . 1 . . . . 70 N HA . 7165 1 859 . 1 1 70 70 ASN HB2 H 1 2.834 0.001 . 1 . . . . 70 N HB2 . 7165 1 860 . 1 1 70 70 ASN HB3 H 1 2.740 0.001 . 1 . . . . 70 N HB3 . 7165 1 861 . 1 1 70 70 ASN HD21 H 1 7.669 0.002 . 1 . . . . 70 N HN21 . 7165 1 862 . 1 1 70 70 ASN HD22 H 1 7.394 0.008 . 1 . . . . 70 N HN22 . 7165 1 863 . 1 1 70 70 ASN C C 13 175.291 0.004 . 1 . . . . 70 N CO . 7165 1 864 . 1 1 70 70 ASN CA C 13 55.177 0.043 . 1 . . . . 70 N CA . 7165 1 865 . 1 1 70 70 ASN CB C 13 37.341 0.246 . 1 . . . . 70 N CB . 7165 1 866 . 1 1 70 70 ASN N N 15 128.517 0.078 . 1 . . . . 70 N N . 7165 1 867 . 1 1 70 70 ASN ND2 N 15 117.059 0.220 . 1 . . . . 70 N ND2 . 7165 1 868 . 1 1 71 71 ASP H H 1 8.765 0.006 . 1 . . . . 71 D HN . 7165 1 869 . 1 1 71 71 ASP HA H 1 4.099 0.004 . 1 . . . . 71 D HA . 7165 1 870 . 1 1 71 71 ASP HB2 H 1 2.889 0.013 . 1 . . . . 71 D HB2 . 7165 1 871 . 1 1 71 71 ASP HB3 H 1 2.763 0.005 . 1 . . . . 71 D HB3 . 7165 1 872 . 1 1 71 71 ASP C C 13 174.560 0.006 . 1 . . . . 71 D CO . 7165 1 873 . 1 1 71 71 ASP CA C 13 57.006 0.038 . 1 . . . . 71 D CA . 7165 1 874 . 1 1 71 71 ASP CB C 13 40.642 0.084 . 1 . . . . 71 D CB . 7165 1 875 . 1 1 71 71 ASP N N 15 109.994 0.061 . 1 . . . . 71 D N . 7165 1 876 . 1 1 72 72 THR H H 1 7.811 0.005 . 1 . . . . 72 T HN . 7165 1 877 . 1 1 72 72 THR HA H 1 4.405 0.003 . 1 . . . . 72 T HA . 7165 1 878 . 1 1 72 72 THR HB H 1 4.042 0.005 . 1 . . . . 72 T HB . 7165 1 879 . 1 1 72 72 THR HG21 H 1 1.324 0.008 . 1 . . . . 72 T HG2 . 7165 1 880 . 1 1 72 72 THR HG22 H 1 1.324 0.008 . 1 . . . . 72 T HG2 . 7165 1 881 . 1 1 72 72 THR HG23 H 1 1.324 0.008 . 1 . . . . 72 T HG2 . 7165 1 882 . 1 1 72 72 THR C C 13 173.103 0.027 . 1 . . . . 72 T CO . 7165 1 883 . 1 1 72 72 THR CA C 13 61.872 0.075 . 1 . . . . 72 T CA . 7165 1 884 . 1 1 72 72 THR CB C 13 70.760 0.101 . 1 . . . . 72 T CB . 7165 1 885 . 1 1 72 72 THR N N 15 117.287 0.051 . 1 . . . . 72 T N . 7165 1 886 . 1 1 73 73 ASP H H 1 8.796 0.005 . 1 . . . . 73 D HN . 7165 1 887 . 1 1 73 73 ASP HA H 1 4.452 0.010 . 1 . . . . 73 D HA . 7165 1 888 . 1 1 73 73 ASP HB2 H 1 2.835 0.005 . 1 . . . . 73 D HB2 . 7165 1 889 . 1 1 73 73 ASP HB3 H 1 2.699 0.004 . 1 . . . . 73 D HB3 . 7165 1 890 . 1 1 73 73 ASP C C 13 179.037 0.004 . 1 . . . . 73 D CO . 7165 1 891 . 1 1 73 73 ASP CA C 13 55.865 0.073 . 1 . . . . 73 D CA . 7165 1 892 . 1 1 73 73 ASP CB C 13 41.891 0.059 . 1 . . . . 73 D CB . 7165 1 893 . 1 1 73 73 ASP N N 15 128.132 0.061 . 1 . . . . 73 D N . 7165 1 894 . 1 1 74 74 TRP H H 1 8.648 0.010 . 1 . . . . 74 W HN . 7165 1 895 . 1 1 74 74 TRP HA H 1 4.207 0.003 . 1 . . . . 74 W HA . 7165 1 896 . 1 1 74 74 TRP HB2 H 1 3.452 0.007 . 1 . . . . 74 W HB2 . 7165 1 897 . 1 1 74 74 TRP HB3 H 1 2.759 0.004 . 1 . . . . 74 W HB3 . 7165 1 898 . 1 1 74 74 TRP HE1 H 1 10.426 0.001 . 1 . . . . 74 W HNE1 . 7165 1 899 . 1 1 74 74 TRP C C 13 177.752 0.015 . 1 . . . . 74 W CO . 7165 1 900 . 1 1 74 74 TRP CA C 13 59.465 0.030 . 1 . . . . 74 W CA . 7165 1 901 . 1 1 74 74 TRP CB C 13 27.713 0.038 . 1 . . . . 74 W CB . 7165 1 902 . 1 1 74 74 TRP N N 15 126.339 0.059 . 1 . . . . 74 W N . 7165 1 903 . 1 1 74 74 TRP NE1 N 15 131.161 0.062 . 1 . . . . 74 W NE1 . 7165 1 904 . 1 1 75 75 GLU H H 1 9.349 0.007 . 1 . . . . 75 E HN . 7165 1 905 . 1 1 75 75 GLU HA H 1 3.760 0.008 . 1 . . . . 75 E HA . 7165 1 906 . 1 1 75 75 GLU HB2 H 1 2.014 0.001 . 1 . . . . 75 E HB2 . 7165 1 907 . 1 1 75 75 GLU HB3 H 1 2.014 0.001 . 1 . . . . 75 E HB3 . 7165 1 908 . 1 1 75 75 GLU HG2 H 1 2.437 0.001 . 1 . . . . 75 E HG2 . 7165 1 909 . 1 1 75 75 GLU HG3 H 1 2.135 0.007 . 1 . . . . 75 E HG3 . 7165 1 910 . 1 1 75 75 GLU C C 13 179.334 0.100 . 1 . . . . 75 E CO . 7165 1 911 . 1 1 75 75 GLU CA C 13 59.537 0.023 . 1 . . . . 75 E CA . 7165 1 912 . 1 1 75 75 GLU CB C 13 29.275 0.047 . 1 . . . . 75 E CB . 7165 1 913 . 1 1 75 75 GLU CG C 13 36.942 0.100 . 1 . . . . 75 E CG . 7165 1 914 . 1 1 75 75 GLU N N 15 126.101 0.058 . 1 . . . . 75 E N . 7165 1 915 . 1 1 76 76 LEU H H 1 7.949 0.006 . 1 . . . . 76 L HN . 7165 1 916 . 1 1 76 76 LEU HA H 1 4.241 0.012 . 1 . . . . 76 L HA . 7165 1 917 . 1 1 76 76 LEU HB2 H 1 1.919 0.005 . 1 . . . . 76 L HB2 . 7165 1 918 . 1 1 76 76 LEU HB3 H 1 1.681 0.006 . 1 . . . . 76 L HB3 . 7165 1 919 . 1 1 76 76 LEU HG H 1 1.489 0.324 . 1 . . . . 76 L HG . 7165 1 920 . 1 1 76 76 LEU HD11 H 1 1.010 0.005 . 1 . . . . 76 L HD1# . 7165 1 921 . 1 1 76 76 LEU HD12 H 1 1.010 0.005 . 1 . . . . 76 L HD1# . 7165 1 922 . 1 1 76 76 LEU HD13 H 1 1.010 0.005 . 1 . . . . 76 L HD1# . 7165 1 923 . 1 1 76 76 LEU HD21 H 1 0.885 0.002 . 1 . . . . 76 L HD2# . 7165 1 924 . 1 1 76 76 LEU HD22 H 1 0.885 0.002 . 1 . . . . 76 L HD2# . 7165 1 925 . 1 1 76 76 LEU HD23 H 1 0.885 0.002 . 1 . . . . 76 L HD2# . 7165 1 926 . 1 1 76 76 LEU C C 13 178.042 0.013 . 1 . . . . 76 L CO . 7165 1 927 . 1 1 76 76 LEU CA C 13 55.953 0.148 . 1 . . . . 76 L CA . 7165 1 928 . 1 1 76 76 LEU CB C 13 41.550 0.081 . 1 . . . . 76 L CB . 7165 1 929 . 1 1 76 76 LEU CG C 13 27.664 0.100 . 1 . . . . 76 L CG . 7165 1 930 . 1 1 76 76 LEU CD1 C 13 25.468 0.100 . 1 . . . . 76 L CD1 . 7165 1 931 . 1 1 76 76 LEU CD2 C 13 22.826 0.100 . 1 . . . . 76 L CD2 . 7165 1 932 . 1 1 76 76 LEU N N 15 118.385 0.060 . 1 . . . . 76 L N . 7165 1 933 . 1 1 77 77 GLU H H 1 7.098 0.007 . 1 . . . . 77 E HN . 7165 1 934 . 1 1 77 77 GLU HA H 1 4.912 0.010 . 1 . . . . 77 E HA . 7165 1 935 . 1 1 77 77 GLU HB2 H 1 2.615 0.007 . 1 . . . . 77 E HB2 . 7165 1 936 . 1 1 77 77 GLU HB3 H 1 1.357 0.012 . 1 . . . . 77 E HB3 . 7165 1 937 . 1 1 77 77 GLU HG2 H 1 1.978 0.006 . 1 . . . . 77 E HG2 . 7165 1 938 . 1 1 77 77 GLU HG3 H 1 1.888 0.010 . 1 . . . . 77 E HG3 . 7165 1 939 . 1 1 77 77 GLU C C 13 176.188 0.016 . 1 . . . . 77 E CO . 7165 1 940 . 1 1 77 77 GLU CA C 13 54.669 0.144 . 1 . . . . 77 E CA . 7165 1 941 . 1 1 77 77 GLU CB C 13 31.535 0.047 . 1 . . . . 77 E CB . 7165 1 942 . 1 1 77 77 GLU CG C 13 33.360 0.100 . 1 . . . . 77 E CG . 7165 1 943 . 1 1 77 77 GLU N N 15 115.273 0.057 . 1 . . . . 77 E N . 7165 1 944 . 1 1 78 78 GLY H H 1 7.296 0.005 . 1 . . . . 78 G HN . 7165 1 945 . 1 1 78 78 GLY HA2 H 1 4.200 0.002 . 1 . . . . 78 G HA2 . 7165 1 946 . 1 1 78 78 GLY HA3 H 1 3.581 0.004 . 1 . . . . 78 G HA3 . 7165 1 947 . 1 1 78 78 GLY C C 13 174.327 0.033 . 1 . . . . 78 G CO . 7165 1 948 . 1 1 78 78 GLY CA C 13 45.218 0.012 . 1 . . . . 78 G CA . 7165 1 949 . 1 1 78 78 GLY N N 15 105.724 0.070 . 1 . . . . 78 G N . 7165 1 950 . 1 1 79 79 GLU H H 1 8.233 0.005 . 1 . . . . 79 E HN . 7165 1 951 . 1 1 79 79 GLU HA H 1 2.477 0.006 . 1 . . . . 79 E HA . 7165 1 952 . 1 1 79 79 GLU HB2 H 1 1.376 0.003 . 1 . . . . 79 E HB2 . 7165 1 953 . 1 1 79 79 GLU HB3 H 1 0.723 0.005 . 1 . . . . 79 E HB3 . 7165 1 954 . 1 1 79 79 GLU HG2 H 1 1.306 0.012 . 1 . . . . 79 E HG2 . 7165 1 955 . 1 1 79 79 GLU HG3 H 1 -0.067 0.002 . 1 . . . . 79 E HG3 . 7165 1 956 . 1 1 79 79 GLU C C 13 175.857 0.023 . 1 . . . . 79 E CO . 7165 1 957 . 1 1 79 79 GLU CA C 13 57.948 0.161 . 1 . . . . 79 E CA . 7165 1 958 . 1 1 79 79 GLU CB C 13 27.404 0.010 . 1 . . . . 79 E CB . 7165 1 959 . 1 1 79 79 GLU CG C 13 35.213 0.100 . 1 . . . . 79 E CG . 7165 1 960 . 1 1 79 79 GLU N N 15 120.411 0.057 . 1 . . . . 79 E N . 7165 1 961 . 1 1 80 80 LYS H H 1 7.987 0.007 . 1 . . . . 80 K HN . 7165 1 962 . 1 1 80 80 LYS HA H 1 3.887 0.006 . 1 . . . . 80 K HA . 7165 1 963 . 1 1 80 80 LYS HB2 H 1 1.830 0.009 . 1 . . . . 80 K HB2 . 7165 1 964 . 1 1 80 80 LYS HB3 H 1 1.830 0.009 . 1 . . . . 80 K HB3 . 7165 1 965 . 1 1 80 80 LYS HG2 H 1 1.348 0.007 . 1 . . . . 80 K HG2 . 7165 1 966 . 1 1 80 80 LYS HG3 H 1 1.348 0.007 . 1 . . . . 80 K HG3 . 7165 1 967 . 1 1 80 80 LYS HD2 H 1 1.880 0.003 . 1 . . . . 80 K HD2 . 7165 1 968 . 1 1 80 80 LYS HD3 H 1 1.880 0.003 . 1 . . . . 80 K HD3 . 7165 1 969 . 1 1 80 80 LYS HE2 H 1 3.128 0.010 . 1 . . . . 80 K HE2 . 7165 1 970 . 1 1 80 80 LYS HE3 H 1 3.048 0.010 . 1 . . . . 80 K HE3 . 7165 1 971 . 1 1 80 80 LYS C C 13 176.551 0.020 . 1 . . . . 80 K CO . 7165 1 972 . 1 1 80 80 LYS CA C 13 59.736 0.060 . 1 . . . . 80 K CA . 7165 1 973 . 1 1 80 80 LYS CB C 13 32.629 0.030 . 1 . . . . 80 K CB . 7165 1 974 . 1 1 80 80 LYS CG C 13 27.102 0.100 . 1 . . . . 80 K CG . 7165 1 975 . 1 1 80 80 LYS CD C 13 29.675 0.032 . 1 . . . . 80 K CD . 7165 1 976 . 1 1 80 80 LYS CE C 13 41.624 0.100 . 1 . . . . 80 K CE . 7165 1 977 . 1 1 80 80 LYS N N 15 119.832 0.050 . 1 . . . . 80 K N . 7165 1 978 . 1 1 81 81 ASP H H 1 7.865 0.007 . 1 . . . . 81 D HN . 7165 1 979 . 1 1 81 81 ASP HA H 1 4.599 0.002 . 1 . . . . 81 D HA . 7165 1 980 . 1 1 81 81 ASP HB2 H 1 2.780 0.007 . 1 . . . . 81 D HB2 . 7165 1 981 . 1 1 81 81 ASP HB3 H 1 2.613 0.007 . 1 . . . . 81 D HB3 . 7165 1 982 . 1 1 81 81 ASP C C 13 176.346 0.059 . 1 . . . . 81 D CO . 7165 1 983 . 1 1 81 81 ASP CA C 13 54.738 0.024 . 1 . . . . 81 D CA . 7165 1 984 . 1 1 81 81 ASP CB C 13 41.361 0.027 . 1 . . . . 81 D CB . 7165 1 985 . 1 1 81 81 ASP N N 15 115.377 0.054 . 1 . . . . 81 D N . 7165 1 986 . 1 1 82 82 TYR H H 1 7.321 0.005 . 1 . . . . 82 Y HN . 7165 1 987 . 1 1 82 82 TYR HA H 1 4.061 0.002 . 1 . . . . 82 Y HA . 7165 1 988 . 1 1 82 82 TYR HB2 H 1 3.085 0.008 . 1 . . . . 82 Y HB2 . 7165 1 989 . 1 1 82 82 TYR HB3 H 1 2.754 0.004 . 1 . . . . 82 Y HB3 . 7165 1 990 . 1 1 82 82 TYR HD1 H 1 7.066 0.007 . 1 . . . . 82 Y HD2 . 7165 1 991 . 1 1 82 82 TYR HD2 H 1 7.066 0.007 . 1 . . . . 82 Y HD3 . 7165 1 992 . 1 1 82 82 TYR HE1 H 1 6.829 0.001 . 1 . . . . 82 Y HE2 . 7165 1 993 . 1 1 82 82 TYR HE2 H 1 6.829 0.001 . 1 . . . . 82 Y HE3 . 7165 1 994 . 1 1 82 82 TYR C C 13 174.031 0.008 . 1 . . . . 82 Y CO . 7165 1 995 . 1 1 82 82 TYR CA C 13 60.222 0.091 . 1 . . . . 82 Y CA . 7165 1 996 . 1 1 82 82 TYR CB C 13 37.093 0.050 . 1 . . . . 82 Y CB . 7165 1 997 . 1 1 82 82 TYR N N 15 122.509 0.073 . 1 . . . . 82 Y N . 7165 1 998 . 1 1 83 83 ILE H H 1 7.192 0.008 . 1 . . . . 83 I HN . 7165 1 999 . 1 1 83 83 ILE HA H 1 3.765 0.006 . 1 . . . . 83 I HA . 7165 1 1000 . 1 1 83 83 ILE HB H 1 1.320 0.008 . 1 . . . . 83 I HB . 7165 1 1001 . 1 1 83 83 ILE HG12 H 1 1.728 0.010 . 1 . . . . 83 I HG12 . 7165 1 1002 . 1 1 83 83 ILE HG13 H 1 0.628 0.010 . 1 . . . . 83 I HG13 . 7165 1 1003 . 1 1 83 83 ILE HG21 H 1 0.752 0.005 . 1 . . . . 83 I HG2# . 7165 1 1004 . 1 1 83 83 ILE HG22 H 1 0.752 0.005 . 1 . . . . 83 I HG2# . 7165 1 1005 . 1 1 83 83 ILE HG23 H 1 0.752 0.005 . 1 . . . . 83 I HG2# . 7165 1 1006 . 1 1 83 83 ILE HD11 H 1 0.796 0.002 . 1 . . . . 83 I HD1# . 7165 1 1007 . 1 1 83 83 ILE HD12 H 1 0.796 0.002 . 1 . . . . 83 I HD1# . 7165 1 1008 . 1 1 83 83 ILE HD13 H 1 0.796 0.002 . 1 . . . . 83 I HD1# . 7165 1 1009 . 1 1 83 83 ILE C C 13 174.031 0.004 . 1 . . . . 83 I CO . 7165 1 1010 . 1 1 83 83 ILE CA C 13 61.516 0.007 . 1 . . . . 83 I CA . 7165 1 1011 . 1 1 83 83 ILE CB C 13 38.294 0.159 . 1 . . . . 83 I CB . 7165 1 1012 . 1 1 83 83 ILE CG1 C 13 28.430 0.100 . 1 . . . . 83 I CG1 . 7165 1 1013 . 1 1 83 83 ILE N N 15 129.107 0.063 . 1 . . . . 83 I N . 7165 1 1014 . 1 1 84 84 LEU H H 1 8.543 0.006 . 1 . . . . 84 L HN . 7165 1 1015 . 1 1 84 84 LEU HA H 1 4.168 0.004 . 1 . . . . 84 L HA . 7165 1 1016 . 1 1 84 84 LEU HB2 H 1 1.641 0.004 . 1 . . . . 84 L HB2 . 7165 1 1017 . 1 1 84 84 LEU HB3 H 1 1.090 0.015 . 1 . . . . 84 L HB3 . 7165 1 1018 . 1 1 84 84 LEU HG H 1 0.776 0.010 . 1 . . . . 84 L HG . 7165 1 1019 . 1 1 84 84 LEU HD11 H 1 1.732 0.010 . 1 . . . . 84 L HD1# . 7165 1 1020 . 1 1 84 84 LEU HD12 H 1 1.732 0.010 . 1 . . . . 84 L HD1# . 7165 1 1021 . 1 1 84 84 LEU HD13 H 1 1.732 0.010 . 1 . . . . 84 L HD1# . 7165 1 1022 . 1 1 84 84 LEU HD21 H 1 1.084 0.010 . 1 . . . . 84 L HD2# . 7165 1 1023 . 1 1 84 84 LEU HD22 H 1 1.084 0.010 . 1 . . . . 84 L HD2# . 7165 1 1024 . 1 1 84 84 LEU HD23 H 1 1.084 0.010 . 1 . . . . 84 L HD2# . 7165 1 1025 . 1 1 84 84 LEU C C 13 176.038 0.029 . 1 . . . . 84 L CO . 7165 1 1026 . 1 1 84 84 LEU CA C 13 55.328 0.007 . 1 . . . . 84 L CA . 7165 1 1027 . 1 1 84 84 LEU CB C 13 43.754 0.013 . 1 . . . . 84 L CB . 7165 1 1028 . 1 1 84 84 LEU CG C 13 27.318 0.100 . 1 . . . . 84 L CG . 7165 1 1029 . 1 1 84 84 LEU CD1 C 13 24.451 0.100 . 1 . . . . 84 L CD1 . 7165 1 1030 . 1 1 84 84 LEU CD2 C 13 24.451 0.100 . 1 . . . . 84 L CD2 . 7165 1 1031 . 1 1 84 84 LEU N N 15 124.511 0.081 . 1 . . . . 84 L N . 7165 1 1032 . 1 1 85 85 GLU H H 1 8.586 0.008 . 1 . . . . 85 E HN . 7165 1 1033 . 1 1 85 85 GLU HA H 1 4.445 0.002 . 1 . . . . 85 E HA . 7165 1 1034 . 1 1 85 85 GLU HB2 H 1 1.951 0.010 . 1 . . . . 85 E HB2 . 7165 1 1035 . 1 1 85 85 GLU HB3 H 1 1.880 0.010 . 1 . . . . 85 E HB3 . 7165 1 1036 . 1 1 85 85 GLU HG2 H 1 2.322 0.004 . 1 . . . . 85 E HG2 . 7165 1 1037 . 1 1 85 85 GLU HG3 H 1 2.171 0.004 . 1 . . . . 85 E HG3 . 7165 1 1038 . 1 1 85 85 GLU C C 13 175.350 0.022 . 1 . . . . 85 E CO . 7165 1 1039 . 1 1 85 85 GLU CA C 13 53.755 0.028 . 1 . . . . 85 E CA . 7165 1 1040 . 1 1 85 85 GLU CB C 13 32.322 0.100 . 1 . . . . 85 E CB . 7165 1 1041 . 1 1 85 85 GLU CG C 13 36.213 0.100 . 1 . . . . 85 E CG . 7165 1 1042 . 1 1 85 85 GLU N N 15 120.376 0.094 . 1 . . . . 85 E N . 7165 1 1043 . 1 1 86 86 ASP H H 1 8.610 0.006 . 1 . . . . 86 D HN . 7165 1 1044 . 1 1 86 86 ASP HA H 1 4.554 0.006 . 1 . . . . 86 D HA . 7165 1 1045 . 1 1 86 86 ASP HB2 H 1 2.634 0.002 . 1 . . . . 86 D HB2 . 7165 1 1046 . 1 1 86 86 ASP HB3 H 1 2.634 0.002 . 1 . . . . 86 D HB3 . 7165 1 1047 . 1 1 86 86 ASP C C 13 178.295 0.032 . 1 . . . . 86 D CO . 7165 1 1048 . 1 1 86 86 ASP CA C 13 56.242 0.108 . 1 . . . . 86 D CA . 7165 1 1049 . 1 1 86 86 ASP CB C 13 41.892 0.024 . 1 . . . . 86 D CB . 7165 1 1050 . 1 1 86 86 ASP N N 15 120.743 0.055 . 1 . . . . 86 D N . 7165 1 1051 . 1 1 87 87 GLY H H 1 9.173 0.005 . 1 . . . . 87 G HN . 7165 1 1052 . 1 1 87 87 GLY HA2 H 1 4.315 0.004 . 1 . . . . 87 G HA2 . 7165 1 1053 . 1 1 87 87 GLY HA3 H 1 3.595 0.005 . 1 . . . . 87 G HA3 . 7165 1 1054 . 1 1 87 87 GLY C C 13 174.781 0.020 . 1 . . . . 87 G CO . 7165 1 1055 . 1 1 87 87 GLY CA C 13 44.939 0.055 . 1 . . . . 87 G CA . 7165 1 1056 . 1 1 87 87 GLY N N 15 113.593 0.067 . 1 . . . . 87 G N . 7165 1 1057 . 1 1 88 88 ASP H H 1 8.175 0.004 . 1 . . . . 88 D HN . 7165 1 1058 . 1 1 88 88 ASP HA H 1 4.791 0.004 . 1 . . . . 88 D HA . 7165 1 1059 . 1 1 88 88 ASP HB2 H 1 2.883 0.014 . 1 . . . . 88 D HB2 . 7165 1 1060 . 1 1 88 88 ASP HB3 H 1 2.327 0.003 . 1 . . . . 88 D HB3 . 7165 1 1061 . 1 1 88 88 ASP C C 13 174.626 0.010 . 1 . . . . 88 D CO . 7165 1 1062 . 1 1 88 88 ASP CA C 13 55.887 0.428 . 1 . . . . 88 D CA . 7165 1 1063 . 1 1 88 88 ASP CB C 13 42.207 0.020 . 1 . . . . 88 D CB . 7165 1 1064 . 1 1 88 88 ASP N N 15 122.558 0.053 . 1 . . . . 88 D N . 7165 1 1065 . 1 1 89 89 ILE H H 1 8.116 0.006 . 1 . . . . 89 I HN . 7165 1 1066 . 1 1 89 89 ILE HA H 1 4.934 0.012 . 1 . . . . 89 I HA . 7165 1 1067 . 1 1 89 89 ILE HB H 1 1.634 0.005 . 1 . . . . 89 I HB . 7165 1 1068 . 1 1 89 89 ILE HG12 H 1 1.737 0.010 . 1 . . . . 89 I HG12 . 7165 1 1069 . 1 1 89 89 ILE HG13 H 1 0.806 0.010 . 1 . . . . 89 I HG13 . 7165 1 1070 . 1 1 89 89 ILE HG21 H 1 0.621 0.009 . 1 . . . . 89 I HG2# . 7165 1 1071 . 1 1 89 89 ILE HG22 H 1 0.621 0.009 . 1 . . . . 89 I HG2# . 7165 1 1072 . 1 1 89 89 ILE HG23 H 1 0.621 0.009 . 1 . . . . 89 I HG2# . 7165 1 1073 . 1 1 89 89 ILE HD11 H 1 0.832 0.010 . 1 . . . . 89 I HD1# . 7165 1 1074 . 1 1 89 89 ILE HD12 H 1 0.832 0.010 . 1 . . . . 89 I HD1# . 7165 1 1075 . 1 1 89 89 ILE HD13 H 1 0.832 0.010 . 1 . . . . 89 I HD1# . 7165 1 1076 . 1 1 89 89 ILE C C 13 175.163 0.009 . 1 . . . . 89 I CO . 7165 1 1077 . 1 1 89 89 ILE CA C 13 59.895 0.010 . 1 . . . . 89 I CA . 7165 1 1078 . 1 1 89 89 ILE CB C 13 40.125 0.066 . 1 . . . . 89 I CB . 7165 1 1079 . 1 1 89 89 ILE CG1 C 13 27.634 0.100 . 1 . . . . 89 I CG1 . 7165 1 1080 . 1 1 89 89 ILE CG2 C 13 17.168 0.100 . 1 . . . . 89 I CG2 . 7165 1 1081 . 1 1 89 89 ILE CD1 C 13 14.165 0.100 . 1 . . . . 89 I CD1 . 7165 1 1082 . 1 1 89 89 ILE N N 15 118.178 0.055 . 1 . . . . 89 I N . 7165 1 1083 . 1 1 90 90 ILE H H 1 9.001 0.006 . 1 . . . . 90 I HN . 7165 1 1084 . 1 1 90 90 ILE HA H 1 4.846 0.003 . 1 . . . . 90 I HA . 7165 1 1085 . 1 1 90 90 ILE HB H 1 1.638 0.003 . 1 . . . . 90 I HB . 7165 1 1086 . 1 1 90 90 ILE HG12 H 1 1.140 0.005 . 1 . . . . 90 I HG12 . 7165 1 1087 . 1 1 90 90 ILE HG13 H 1 1.140 0.005 . 1 . . . . 90 I HG13 . 7165 1 1088 . 1 1 90 90 ILE HG21 H 1 0.180 0.002 . 1 . . . . 90 I HG2# . 7165 1 1089 . 1 1 90 90 ILE HG22 H 1 0.180 0.002 . 1 . . . . 90 I HG2# . 7165 1 1090 . 1 1 90 90 ILE HG23 H 1 0.180 0.002 . 1 . . . . 90 I HG2# . 7165 1 1091 . 1 1 90 90 ILE HD11 H 1 0.723 0.010 . 1 . . . . 90 I HD1# . 7165 1 1092 . 1 1 90 90 ILE HD12 H 1 0.723 0.010 . 1 . . . . 90 I HD1# . 7165 1 1093 . 1 1 90 90 ILE HD13 H 1 0.723 0.010 . 1 . . . . 90 I HD1# . 7165 1 1094 . 1 1 90 90 ILE C C 13 173.964 0.002 . 1 . . . . 90 I CO . 7165 1 1095 . 1 1 90 90 ILE CA C 13 58.676 0.111 . 1 . . . . 90 I CA . 7165 1 1096 . 1 1 90 90 ILE CB C 13 38.939 0.155 . 1 . . . . 90 I CB . 7165 1 1097 . 1 1 90 90 ILE CG1 C 13 29.335 0.100 . 1 . . . . 90 I CG1 . 7165 1 1098 . 1 1 90 90 ILE CD1 C 13 14.293 0.100 . 1 . . . . 90 I CD1 . 7165 1 1099 . 1 1 90 90 ILE N N 15 131.063 0.083 . 1 . . . . 90 I N . 7165 1 1100 . 1 1 91 91 SER H H 1 8.801 0.006 . 1 . . . . 91 S HN . 7165 1 1101 . 1 1 91 91 SER HA H 1 5.171 0.005 . 1 . . . . 91 S HA . 7165 1 1102 . 1 1 91 91 SER HB2 H 1 3.553 0.010 . 1 . . . . 91 S HB2 . 7165 1 1103 . 1 1 91 91 SER HB3 H 1 3.490 0.010 . 1 . . . . 91 S HB3 . 7165 1 1104 . 1 1 91 91 SER C C 13 172.053 0.011 . 1 . . . . 91 S CO . 7165 1 1105 . 1 1 91 91 SER CA C 13 55.143 0.088 . 1 . . . . 91 S CA . 7165 1 1106 . 1 1 91 91 SER CB C 13 65.791 0.163 . 1 . . . . 91 S CB . 7165 1 1107 . 1 1 91 91 SER N N 15 119.771 0.063 . 1 . . . . 91 S N . 7165 1 1108 . 1 1 92 92 PHE H H 1 8.797 0.006 . 1 . . . . 92 F HN . 7165 1 1109 . 1 1 92 92 PHE HA H 1 5.287 0.006 . 1 . . . . 92 F HA . 7165 1 1110 . 1 1 92 92 PHE HB2 H 1 3.137 0.005 . 1 . . . . 92 F HB2 . 7165 1 1111 . 1 1 92 92 PHE HB3 H 1 2.825 0.005 . 1 . . . . 92 F HB3 . 7165 1 1112 . 1 1 92 92 PHE HD1 H 1 6.975 0.003 . 1 . . . . 92 F HD2 . 7165 1 1113 . 1 1 92 92 PHE HD2 H 1 6.975 0.003 . 1 . . . . 92 F HD3 . 7165 1 1114 . 1 1 92 92 PHE C C 13 174.770 0.010 . 1 . . . . 92 F CO . 7165 1 1115 . 1 1 92 92 PHE CA C 13 55.854 0.069 . 1 . . . . 92 F CA . 7165 1 1116 . 1 1 92 92 PHE CB C 13 42.144 0.048 . 1 . . . . 92 F CB . 7165 1 1117 . 1 1 92 92 PHE N N 15 122.061 0.070 . 1 . . . . 92 F N . 7165 1 1118 . 1 1 93 93 THR H H 1 9.227 0.006 . 1 . . . . 93 T HN . 7165 1 1119 . 1 1 93 93 THR HA H 1 4.622 0.003 . 1 . . . . 93 T HA . 7165 1 1120 . 1 1 93 93 THR HB H 1 3.902 0.005 . 1 . . . . 93 T HB . 7165 1 1121 . 1 1 93 93 THR HG21 H 1 1.010 0.006 . 1 . . . . 93 T HG2# . 7165 1 1122 . 1 1 93 93 THR HG22 H 1 1.010 0.006 . 1 . . . . 93 T HG2# . 7165 1 1123 . 1 1 93 93 THR HG23 H 1 1.010 0.006 . 1 . . . . 93 T HG2# . 7165 1 1124 . 1 1 93 93 THR C C 13 174.473 0.004 . 1 . . . . 93 T CO . 7165 1 1125 . 1 1 93 93 THR CA C 13 61.330 0.057 . 1 . . . . 93 T CA . 7165 1 1126 . 1 1 93 93 THR CB C 13 70.653 0.051 . 1 . . . . 93 T CB . 7165 1 1127 . 1 1 93 93 THR CG2 C 13 20.751 0.100 . 1 . . . . 93 T CG . 7165 1 1128 . 1 1 93 93 THR N N 15 119.098 0.048 . 1 . . . . 93 T N . 7165 1 1129 . 1 1 94 94 SER H H 1 7.947 0.010 . 1 . . . . 94 S HN . 7165 1 1130 . 1 1 94 94 SER HA H 1 4.744 0.006 . 1 . . . . 94 S HA . 7165 1 1131 . 1 1 94 94 SER HB2 H 1 3.970 0.010 . 1 . . . . 94 S HB2 . 7165 1 1132 . 1 1 94 94 SER HB3 H 1 3.903 0.010 . 1 . . . . 94 S HB3 . 7165 1 1133 . 1 1 94 94 SER C C 13 174.809 0.100 . 1 . . . . 94 S CO . 7165 1 1134 . 1 1 94 94 SER CA C 13 58.273 0.083 . 1 . . . . 94 S CA . 7165 1 1135 . 1 1 94 94 SER CB C 13 63.656 0.105 . 1 . . . . 94 S CB . 7165 1 1136 . 1 1 94 94 SER N N 15 120.173 0.050 . 1 . . . . 94 S N . 7165 1 1137 . 1 1 95 95 THR H H 1 8.106 0.006 . 1 . . . . 95 T HN . 7165 1 1138 . 1 1 95 95 THR HA H 1 4.589 0.008 . 1 . . . . 95 T HA . 7165 1 1139 . 1 1 95 95 THR HB H 1 4.382 0.001 . 1 . . . . 95 T HB . 7165 1 1140 . 1 1 95 95 THR HG21 H 1 1.209 0.008 . 1 . . . . 95 T HG2# . 7165 1 1141 . 1 1 95 95 THR HG22 H 1 1.209 0.008 . 1 . . . . 95 T HG2# . 7165 1 1142 . 1 1 95 95 THR HG23 H 1 1.209 0.008 . 1 . . . . 95 T HG2# . 7165 1 1143 . 1 1 95 95 THR C C 13 174.648 0.013 . 1 . . . . 95 T CO . 7165 1 1144 . 1 1 95 95 THR CA C 13 61.787 0.071 . 1 . . . . 95 T CA . 7165 1 1145 . 1 1 95 95 THR CB C 13 70.100 0.109 . 1 . . . . 95 T CB . 7165 1 1146 . 1 1 95 95 THR N N 15 116.723 0.078 . 1 . . . . 95 T N . 7165 1 1147 . 1 1 96 96 LEU H H 1 8.240 0.011 . 1 . . . . 96 L HN . 7165 1 1148 . 1 1 96 96 LEU HA H 1 4.318 0.005 . 1 . . . . 96 L HA . 7165 1 1149 . 1 1 96 96 LEU HB2 H 1 1.496 0.011 . 1 . . . . 96 L HB2 . 7165 1 1150 . 1 1 96 96 LEU HB3 H 1 1.496 0.011 . 1 . . . . 96 L HB3 . 7165 1 1151 . 1 1 96 96 LEU HD11 H 1 0.855 0.010 . 1 . . . . 96 L HD1# . 7165 1 1152 . 1 1 96 96 LEU HD12 H 1 0.855 0.010 . 1 . . . . 96 L HD1# . 7165 1 1153 . 1 1 96 96 LEU HD13 H 1 0.855 0.010 . 1 . . . . 96 L HD1# . 7165 1 1154 . 1 1 96 96 LEU HD21 H 1 0.855 0.010 . 1 . . . . 96 L HD2# . 7165 1 1155 . 1 1 96 96 LEU HD22 H 1 0.855 0.010 . 1 . . . . 96 L HD2# . 7165 1 1156 . 1 1 96 96 LEU HD23 H 1 0.855 0.010 . 1 . . . . 96 L HD2# . 7165 1 1157 . 1 1 96 96 LEU C C 13 177.300 0.104 . 1 . . . . 96 L CO . 7165 1 1158 . 1 1 96 96 LEU CA C 13 55.379 0.036 . 1 . . . . 96 L CA . 7165 1 1159 . 1 1 96 96 LEU CB C 13 42.308 0.020 . 1 . . . . 96 L CB . 7165 1 1160 . 1 1 96 96 LEU CG C 13 27.070 0.100 . 1 . . . . 96 L CG . 7165 1 1161 . 1 1 96 96 LEU CD1 C 13 25.030 0.100 . 1 . . . . 96 L CD1 . 7165 1 1162 . 1 1 96 96 LEU CD2 C 13 23.506 0.100 . 1 . . . . 96 L CD2 . 7165 1 1163 . 1 1 96 96 LEU N N 15 123.204 0.053 . 1 . . . . 96 L N . 7165 1 1164 . 1 1 97 97 HIS H H 1 8.417 0.006 . 1 . . . . 97 H HN . 7165 1 1165 . 1 1 97 97 HIS HA H 1 4.628 0.017 . 1 . . . . 97 H HA . 7165 1 1166 . 1 1 97 97 HIS HB2 H 1 3.236 0.012 . 1 . . . . 97 H HB2 . 7165 1 1167 . 1 1 97 97 HIS HB3 H 1 3.088 0.007 . 1 . . . . 97 H HB3 . 7165 1 1168 . 1 1 97 97 HIS C C 13 175.741 0.027 . 1 . . . . 97 H CO . 7165 1 1169 . 1 1 97 97 HIS CA C 13 56.359 0.048 . 1 . . . . 97 H CA . 7165 1 1170 . 1 1 97 97 HIS CB C 13 30.432 0.076 . 1 . . . . 97 H CB . 7165 1 1171 . 1 1 97 97 HIS N N 15 120.254 0.107 . 1 . . . . 97 H N . 7165 1 1172 . 1 1 98 98 GLY H H 1 8.362 0.006 . 1 . . . . 98 G HN . 7165 1 1173 . 1 1 98 98 GLY HA2 H 1 3.927 0.004 . 1 . . . . 98 G HA2 . 7165 1 1174 . 1 1 98 98 GLY HA3 H 1 3.927 0.004 . 1 . . . . 98 G HA3 . 7165 1 1175 . 1 1 98 98 GLY CA C 13 45.570 0.031 . 1 . . . . 98 G CA . 7165 1 1176 . 1 1 98 98 GLY N N 15 110.139 0.087 . 1 . . . . 98 G N . 7165 1 1177 . 1 1 99 99 GLY H H 1 8.351 0.008 . 1 . . . . 99 G HN . 7165 1 1178 . 1 1 99 99 GLY C C 13 174.241 0.217 . 1 . . . . 99 G CO . 7165 1 1179 . 1 1 99 99 GLY CA C 13 45.304 0.100 . 1 . . . . 99 G CA . 7165 1 1180 . 1 1 99 99 GLY N N 15 109.312 0.469 . 1 . . . . 99 G N . 7165 1 stop_ save_