data_6761 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6761 _Entry.Title ; SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF AN N-TERMINAL UBIQUITIN-LIKE DOMAIN IN THE GLUT4-TETHERING PROTEIN, TUG ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-05 _Entry.Accession_date 2005-08-05 _Entry.Last_release_date 2006-04-27 _Entry.Original_release_date 2006-04-27 _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 Cristina Tettamanzi . M. . 6761 2 Chenfei Yu . . . 6761 3 Jonathan Bogan . . . 6761 4 Michael Hodsdon . E. . 6761 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6761 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 378 6761 '15N chemical shifts' 83 6761 '1H chemical shifts' 605 6761 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-04-27 2005-08-04 original author . 6761 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2AL3 'BMRB Entry Tracking System' 6761 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6761 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16501224 _Citation.Full_citation . _Citation.Title ; SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF AN N-TERMINAL UBIQUITIN-LIKE DOMAIN IN THE GLUT4-TETHERING PROTEIN, TUG ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 3 _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 498 _Citation.Page_last 508 _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 Cristina Tettamanzi . M. . 6761 1 2 Chenfei Yu . . . 6761 1 3 Jonathan Bogan . . . 6761 1 4 Michael Hodsdon . E. . 6761 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6761 _Assembly.ID 1 _Assembly.Name 'UBL1 domain of TUG' _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 'comprises residues 10 - 85 of murine TUG' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'UBL1 domain of TUG' 1 $TUG-UBL1 . . yes native no no . . . 6761 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TUG-UBL1 _Entity.Sf_category entity _Entity.Sf_framecode TUG-UBL1 _Entity.Entry_ID 6761 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TUG-UBL1 _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 ; MAAPAGGGGSAVSVLAPNGR RHTVKVTPSTVLLQVLEDTC RRQDFNPSEYDLKFQRTVLD LSLQWRFANLPNNAKLEMVP VSRSREGPEN ; _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 90 _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 2AL3 . "Solution Structure And Backbone Dynamics Of An N-Terminal Ubiquitin-Like Domain In The Glut4-Tethering Protein, Tug" . . . . . 100.00 90 100.00 100.00 1.41e-58 . . . . 6761 1 2 no GB AAH19177 . "Alveolar soft part sarcoma chromosome region, candidate 1 (human) [Mus musculus]" . . . . . 100.00 550 100.00 100.00 5.19e-54 . . . . 6761 1 3 no GB AAH22115 . "Alveolar soft part sarcoma chromosome region, candidate 1 (human) [Mus musculus]" . . . . . 100.00 550 100.00 100.00 5.19e-54 . . . . 6761 1 4 no GB AAH31153 . "Alveolar soft part sarcoma chromosome region, candidate 1 (human) [Mus musculus]" . . . . . 100.00 550 100.00 100.00 5.19e-54 . . . . 6761 1 5 no GB AAI62026 . "Aspscr1 protein [Rattus norvegicus]" . . . . . 100.00 467 98.89 98.89 4.96e-54 . . . . 6761 1 6 no GB AAR01614 . "TUG long isoform [Mus musculus]" . . . . . 100.00 550 100.00 100.00 5.19e-54 . . . . 6761 1 7 no REF NP_081153 . "tether containing UBX domain for GLUT4 isoform 1 [Mus musculus]" . . . . . 100.00 550 100.00 100.00 5.19e-54 . . . . 6761 1 8 no REF XP_001076577 . "PREDICTED: LOW QUALITY PROTEIN: tether containing UBX domain for GLUT4 isoform X3 [Rattus norvegicus]" . . . . . 100.00 530 98.89 98.89 1.10e-53 . . . . 6761 1 9 no REF XP_002724631 . "PREDICTED: tether containing UBX domain for GLUT4 isoform X1 [Rattus norvegicus]" . . . . . 100.00 551 98.89 98.89 1.98e-53 . . . . 6761 1 10 no REF XP_003786587 . "PREDICTED: tether containing UBX domain for GLUT4 [Otolemur garnettii]" . . . . . 100.00 579 97.78 98.89 2.38e-52 . . . . 6761 1 11 no REF XP_004404527 . "PREDICTED: tether containing UBX domain for GLUT4 [Odobenus rosmarus divergens]" . . . . . 100.00 537 97.78 98.89 6.06e-53 . . . . 6761 1 12 no SP Q8VBT9 . "RecName: Full=Tether containing UBX domain for GLUT4; AltName: Full=Alveolar soft part sarcoma chromosomal region candidate gen" . . . . . 100.00 550 100.00 100.00 5.19e-54 . . . . 6761 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 . 6761 1 2 . ALA . 6761 1 3 . ALA . 6761 1 4 . PRO . 6761 1 5 . ALA . 6761 1 6 . GLY . 6761 1 7 . GLY . 6761 1 8 . GLY . 6761 1 9 . GLY . 6761 1 10 . SER . 6761 1 11 . ALA . 6761 1 12 . VAL . 6761 1 13 . SER . 6761 1 14 . VAL . 6761 1 15 . LEU . 6761 1 16 . ALA . 6761 1 17 . PRO . 6761 1 18 . ASN . 6761 1 19 . GLY . 6761 1 20 . ARG . 6761 1 21 . ARG . 6761 1 22 . HIS . 6761 1 23 . THR . 6761 1 24 . VAL . 6761 1 25 . LYS . 6761 1 26 . VAL . 6761 1 27 . THR . 6761 1 28 . PRO . 6761 1 29 . SER . 6761 1 30 . THR . 6761 1 31 . VAL . 6761 1 32 . LEU . 6761 1 33 . LEU . 6761 1 34 . GLN . 6761 1 35 . VAL . 6761 1 36 . LEU . 6761 1 37 . GLU . 6761 1 38 . ASP . 6761 1 39 . THR . 6761 1 40 . CYS . 6761 1 41 . ARG . 6761 1 42 . ARG . 6761 1 43 . GLN . 6761 1 44 . ASP . 6761 1 45 . PHE . 6761 1 46 . ASN . 6761 1 47 . PRO . 6761 1 48 . SER . 6761 1 49 . GLU . 6761 1 50 . TYR . 6761 1 51 . ASP . 6761 1 52 . LEU . 6761 1 53 . LYS . 6761 1 54 . PHE . 6761 1 55 . GLN . 6761 1 56 . ARG . 6761 1 57 . THR . 6761 1 58 . VAL . 6761 1 59 . LEU . 6761 1 60 . ASP . 6761 1 61 . LEU . 6761 1 62 . SER . 6761 1 63 . LEU . 6761 1 64 . GLN . 6761 1 65 . TRP . 6761 1 66 . ARG . 6761 1 67 . PHE . 6761 1 68 . ALA . 6761 1 69 . ASN . 6761 1 70 . LEU . 6761 1 71 . PRO . 6761 1 72 . ASN . 6761 1 73 . ASN . 6761 1 74 . ALA . 6761 1 75 . LYS . 6761 1 76 . LEU . 6761 1 77 . GLU . 6761 1 78 . MET . 6761 1 79 . VAL . 6761 1 80 . PRO . 6761 1 81 . VAL . 6761 1 82 . SER . 6761 1 83 . ARG . 6761 1 84 . SER . 6761 1 85 . ARG . 6761 1 86 . GLU . 6761 1 87 . GLY . 6761 1 88 . PRO . 6761 1 89 . GLU . 6761 1 90 . ASN . 6761 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 6761 1 . ALA 2 2 6761 1 . ALA 3 3 6761 1 . PRO 4 4 6761 1 . ALA 5 5 6761 1 . GLY 6 6 6761 1 . GLY 7 7 6761 1 . GLY 8 8 6761 1 . GLY 9 9 6761 1 . SER 10 10 6761 1 . ALA 11 11 6761 1 . VAL 12 12 6761 1 . SER 13 13 6761 1 . VAL 14 14 6761 1 . LEU 15 15 6761 1 . ALA 16 16 6761 1 . PRO 17 17 6761 1 . ASN 18 18 6761 1 . GLY 19 19 6761 1 . ARG 20 20 6761 1 . ARG 21 21 6761 1 . HIS 22 22 6761 1 . THR 23 23 6761 1 . VAL 24 24 6761 1 . LYS 25 25 6761 1 . VAL 26 26 6761 1 . THR 27 27 6761 1 . PRO 28 28 6761 1 . SER 29 29 6761 1 . THR 30 30 6761 1 . VAL 31 31 6761 1 . LEU 32 32 6761 1 . LEU 33 33 6761 1 . GLN 34 34 6761 1 . VAL 35 35 6761 1 . LEU 36 36 6761 1 . GLU 37 37 6761 1 . ASP 38 38 6761 1 . THR 39 39 6761 1 . CYS 40 40 6761 1 . ARG 41 41 6761 1 . ARG 42 42 6761 1 . GLN 43 43 6761 1 . ASP 44 44 6761 1 . PHE 45 45 6761 1 . ASN 46 46 6761 1 . PRO 47 47 6761 1 . SER 48 48 6761 1 . GLU 49 49 6761 1 . TYR 50 50 6761 1 . ASP 51 51 6761 1 . LEU 52 52 6761 1 . LYS 53 53 6761 1 . PHE 54 54 6761 1 . GLN 55 55 6761 1 . ARG 56 56 6761 1 . THR 57 57 6761 1 . VAL 58 58 6761 1 . LEU 59 59 6761 1 . ASP 60 60 6761 1 . LEU 61 61 6761 1 . SER 62 62 6761 1 . LEU 63 63 6761 1 . GLN 64 64 6761 1 . TRP 65 65 6761 1 . ARG 66 66 6761 1 . PHE 67 67 6761 1 . ALA 68 68 6761 1 . ASN 69 69 6761 1 . LEU 70 70 6761 1 . PRO 71 71 6761 1 . ASN 72 72 6761 1 . ASN 73 73 6761 1 . ALA 74 74 6761 1 . LYS 75 75 6761 1 . LEU 76 76 6761 1 . GLU 77 77 6761 1 . MET 78 78 6761 1 . VAL 79 79 6761 1 . PRO 80 80 6761 1 . VAL 81 81 6761 1 . SER 82 82 6761 1 . ARG 83 83 6761 1 . SER 84 84 6761 1 . ARG 85 85 6761 1 . GLU 86 86 6761 1 . GLY 87 87 6761 1 . PRO 88 88 6761 1 . GLU 89 89 6761 1 . ASN 90 90 6761 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 6761 _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 $TUG-UBL1 . . organism no . 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6761 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 6761 _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 $TUG-UBL1 . 'recombinant technology' . 'E. Coli' 'Escherichia coli' . . . 'BL21 DE3' . . . . . . . . . . . . plasmid . . pGEX-2K . . . . . . 6761 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6761 _Sample.ID 1 _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 TUG-UBL1 '[U-98% 13C; U-98% 15N]' 1 $assembly 1 $TUG-UBL1 . . 0.75 . . mM . . . . 6761 1 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 6761 1 3 NaCl . . . . . . . 20 . . mM . . . . 6761 1 4 'sodium azide' . . . . . . . 0.05 . . % . . . . 6761 1 5 leupeptin . . . . . . . 10 . . uM . . . . 6761 1 6 pepstatin . . . . . . . 10 . . uM . . . . 6761 1 7 D20 . . . . . . . 5 . . % . . . . 6761 1 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 6761 _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 7.4 0.02 pH 6761 1 temperature 298 0.1 K 6761 1 stop_ save_ ############################ # Computer software used # ############################ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6761 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.106 _Software.Details '3D data analysis' save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6761 _Software.ID 2 _Software.Name CYANA _Software.Version 1.0.5 _Software.Details 'structure solution' save_ save_nmrView _Software.Sf_category software _Software.Sf_framecode nmrView _Software.Entry_ID 6761 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details '4D data analysis' save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6761 _Software.ID 4 _Software.Name NMRPipe _Software.Version 1.0 _Software.Details 'processing Varian format data' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6761 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _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 6761 _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 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6761 1 2 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6761 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6761 1 4 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6761 1 5 HCACO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6761 1 6 HCC(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6761 1 7 15N-TOCSYHSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6761 1 8 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6761 1 9 13C-NOESYHSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6761 1 10 LRCC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6761 1 11 '15N-NOESY HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6761 1 12 '(4D) 13C 15N HMQC-NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6761 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 6761 _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 external indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6761 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6761 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6761 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 6761 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6761 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.127 0.020 . 1 . . . . 1 MET H . 6761 1 2 . 1 1 1 1 MET HA H 1 4.502 0.020 . 1 . . . . 1 MET HA . 6761 1 3 . 1 1 1 1 MET HB2 H 1 2.103 0.020 . 2 . . . . 1 MET HB2 . 6761 1 4 . 1 1 1 1 MET HB3 H 1 2.006 0.020 . 2 . . . . 1 MET HB3 . 6761 1 5 . 1 1 1 1 MET HG2 H 1 2.614 0.020 . 2 . . . . 1 MET HG2 . 6761 1 6 . 1 1 1 1 MET HG3 H 1 2.570 0.020 . 2 . . . . 1 MET HG3 . 6761 1 7 . 1 1 1 1 MET HE1 H 1 2.125 0.020 . 1 . . . . 1 MET HE . 6761 1 8 . 1 1 1 1 MET HE2 H 1 2.125 0.020 . 1 . . . . 1 MET HE . 6761 1 9 . 1 1 1 1 MET HE3 H 1 2.125 0.020 . 1 . . . . 1 MET HE . 6761 1 10 . 1 1 1 1 MET C C 13 175.770 0.400 . 1 . . . . 1 MET C . 6761 1 11 . 1 1 1 1 MET CA C 13 55.497 0.400 . 1 . . . . 1 MET CA . 6761 1 12 . 1 1 1 1 MET CB C 13 32.787 0.400 . 1 . . . . 1 MET CB . 6761 1 13 . 1 1 1 1 MET CG C 13 32.038 0.400 . 1 . . . . 1 MET CG . 6761 1 14 . 1 1 1 1 MET CE C 13 16.795 0.400 . 1 . . . . 1 MET CE . 6761 1 15 . 1 1 1 1 MET N N 15 123.674 0.400 . 1 . . . . 1 MET N . 6761 1 16 . 1 1 2 2 ALA H H 1 8.316 0.020 . 1 . . . . 2 ALA H . 6761 1 17 . 1 1 2 2 ALA HA H 1 4.304 0.020 . 1 . . . . 2 ALA HA . 6761 1 18 . 1 1 2 2 ALA HB1 H 1 1.362 0.020 . 1 . . . . 2 ALA HB . 6761 1 19 . 1 1 2 2 ALA HB2 H 1 1.362 0.020 . 1 . . . . 2 ALA HB . 6761 1 20 . 1 1 2 2 ALA HB3 H 1 1.362 0.020 . 1 . . . . 2 ALA HB . 6761 1 21 . 1 1 2 2 ALA C C 13 176.977 0.400 . 1 . . . . 2 ALA C . 6761 1 22 . 1 1 2 2 ALA CA C 13 52.304 0.400 . 1 . . . . 2 ALA CA . 6761 1 23 . 1 1 2 2 ALA CB C 13 19.339 0.400 . 1 . . . . 2 ALA CB . 6761 1 24 . 1 1 2 2 ALA N N 15 125.924 0.400 . 1 . . . . 2 ALA N . 6761 1 25 . 1 1 3 3 ALA H H 1 8.274 0.020 . 1 . . . . 3 ALA H . 6761 1 26 . 1 1 3 3 ALA HA H 1 4.589 0.020 . 1 . . . . 3 ALA HA . 6761 1 27 . 1 1 3 3 ALA HB1 H 1 1.347 0.020 . 1 . . . . 3 ALA HB . 6761 1 28 . 1 1 3 3 ALA HB2 H 1 1.347 0.020 . 1 . . . . 3 ALA HB . 6761 1 29 . 1 1 3 3 ALA HB3 H 1 1.347 0.020 . 1 . . . . 3 ALA HB . 6761 1 30 . 1 1 3 3 ALA C C 13 175.540 0.400 . 1 . . . . 3 ALA C . 6761 1 31 . 1 1 3 3 ALA CA C 13 50.432 0.400 . 1 . . . . 3 ALA CA . 6761 1 32 . 1 1 3 3 ALA CB C 13 18.279 0.400 . 1 . . . . 3 ALA CB . 6761 1 33 . 1 1 3 3 ALA N N 15 125.105 0.400 . 1 . . . . 3 ALA N . 6761 1 34 . 1 1 4 4 PRO HA H 1 4.408 0.020 . 1 . . . . 4 PRO HA . 6761 1 35 . 1 1 4 4 PRO HB2 H 1 2.294 0.020 . 2 . . . . 4 PRO HB2 . 6761 1 36 . 1 1 4 4 PRO HB3 H 1 2.001 0.020 . 2 . . . . 4 PRO HB3 . 6761 1 37 . 1 1 4 4 PRO HG2 H 1 1.981 0.020 . 1 . . . . 4 PRO HG2 . 6761 1 38 . 1 1 4 4 PRO HG3 H 1 1.981 0.020 . 1 . . . . 4 PRO HG3 . 6761 1 39 . 1 1 4 4 PRO HD2 H 1 3.705 0.020 . 1 . . . . 4 PRO HD2 . 6761 1 40 . 1 1 4 4 PRO HD3 H 1 3.705 0.020 . 1 . . . . 4 PRO HD3 . 6761 1 41 . 1 1 4 4 PRO C C 13 176.987 0.400 . 1 . . . . 4 PRO C . 6761 1 42 . 1 1 4 4 PRO CA C 13 63.100 0.400 . 1 . . . . 4 PRO CA . 6761 1 43 . 1 1 4 4 PRO CB C 13 32.114 0.400 . 1 . . . . 4 PRO CB . 6761 1 44 . 1 1 4 4 PRO CG C 13 27.441 0.400 . 1 . . . . 4 PRO CG . 6761 1 45 . 1 1 4 4 PRO CD C 13 50.451 0.400 . 1 . . . . 4 PRO CD . 6761 1 46 . 1 1 5 5 ALA H H 1 8.487 0.020 . 1 . . . . 5 ALA H . 6761 1 47 . 1 1 5 5 ALA HA H 1 4.319 0.020 . 1 . . . . 5 ALA HA . 6761 1 48 . 1 1 5 5 ALA HB1 H 1 1.405 0.020 . 1 . . . . 5 ALA HB . 6761 1 49 . 1 1 5 5 ALA HB2 H 1 1.405 0.020 . 1 . . . . 5 ALA HB . 6761 1 50 . 1 1 5 5 ALA HB3 H 1 1.405 0.020 . 1 . . . . 5 ALA HB . 6761 1 51 . 1 1 5 5 ALA C C 13 178.535 0.400 . 1 . . . . 5 ALA C . 6761 1 52 . 1 1 5 5 ALA CA C 13 52.720 0.400 . 1 . . . . 5 ALA CA . 6761 1 53 . 1 1 5 5 ALA CB C 13 19.274 0.400 . 1 . . . . 5 ALA CB . 6761 1 54 . 1 1 5 5 ALA N N 15 125.031 0.400 . 1 . . . . 5 ALA N . 6761 1 55 . 1 1 6 6 GLY H H 1 8.433 0.020 . 1 . . . . 6 GLY H . 6761 1 56 . 1 1 6 6 GLY HA2 H 1 3.993 0.020 . 1 . . . . 6 GLY HA2 . 6761 1 57 . 1 1 6 6 GLY HA3 H 1 3.993 0.020 . 1 . . . . 6 GLY HA3 . 6761 1 58 . 1 1 6 6 GLY C C 13 174.919 0.400 . 1 . . . . 6 GLY C . 6761 1 59 . 1 1 6 6 GLY CA C 13 45.523 0.400 . 1 . . . . 6 GLY CA . 6761 1 60 . 1 1 6 6 GLY N N 15 108.688 0.400 . 1 . . . . 6 GLY N . 6761 1 61 . 1 1 7 7 GLY H H 1 8.305 0.020 . 1 . . . . 7 GLY H . 6761 1 62 . 1 1 7 7 GLY HA2 H 1 3.992 0.020 . 1 . . . . 7 GLY HA2 . 6761 1 63 . 1 1 7 7 GLY HA3 H 1 3.992 0.020 . 1 . . . . 7 GLY HA3 . 6761 1 64 . 1 1 7 7 GLY C C 13 174.875 0.400 . 1 . . . . 7 GLY C . 6761 1 65 . 1 1 7 7 GLY CA C 13 45.381 0.400 . 1 . . . . 7 GLY CA . 6761 1 66 . 1 1 7 7 GLY N N 15 108.721 0.400 . 1 . . . . 7 GLY N . 6761 1 67 . 1 1 8 8 GLY H H 1 8.373 0.020 . 1 . . . . 8 GLY H . 6761 1 68 . 1 1 8 8 GLY HA2 H 1 3.995 0.020 . 1 . . . . 8 GLY HA2 . 6761 1 69 . 1 1 8 8 GLY HA3 H 1 3.995 0.020 . 1 . . . . 8 GLY HA3 . 6761 1 70 . 1 1 8 8 GLY C C 13 174.533 0.400 . 1 . . . . 8 GLY C . 6761 1 71 . 1 1 8 8 GLY CA C 13 45.241 0.400 . 1 . . . . 8 GLY CA . 6761 1 72 . 1 1 8 8 GLY N N 15 108.715 0.400 . 1 . . . . 8 GLY N . 6761 1 73 . 1 1 9 9 GLY H H 1 8.263 0.020 . 1 . . . . 9 GLY H . 6761 1 74 . 1 1 9 9 GLY HA2 H 1 4.019 0.020 . 1 . . . . 9 GLY HA2 . 6761 1 75 . 1 1 9 9 GLY HA3 H 1 4.019 0.020 . 1 . . . . 9 GLY HA3 . 6761 1 76 . 1 1 9 9 GLY C C 13 173.794 0.400 . 1 . . . . 9 GLY C . 6761 1 77 . 1 1 9 9 GLY CA C 13 45.033 0.400 . 1 . . . . 9 GLY CA . 6761 1 78 . 1 1 9 9 GLY N N 15 108.608 0.400 . 1 . . . . 9 GLY N . 6761 1 79 . 1 1 10 10 SER H H 1 8.125 0.020 . 1 . . . . 10 SER H . 6761 1 80 . 1 1 10 10 SER HA H 1 4.725 0.020 . 1 . . . . 10 SER HA . 6761 1 81 . 1 1 10 10 SER HB2 H 1 3.390 0.020 . 2 . . . . 10 SER HB2 . 6761 1 82 . 1 1 10 10 SER HB3 H 1 3.442 0.020 . 2 . . . . 10 SER HB3 . 6761 1 83 . 1 1 10 10 SER C C 13 173.159 0.400 . 1 . . . . 10 SER C . 6761 1 84 . 1 1 10 10 SER CA C 13 57.424 0.400 . 1 . . . . 10 SER CA . 6761 1 85 . 1 1 10 10 SER CB C 13 64.783 0.400 . 1 . . . . 10 SER CB . 6761 1 86 . 1 1 10 10 SER N N 15 115.955 0.400 . 1 . . . . 10 SER N . 6761 1 87 . 1 1 11 11 ALA H H 1 8.630 0.020 . 1 . . . . 11 ALA H . 6761 1 88 . 1 1 11 11 ALA HA H 1 4.883 0.020 . 1 . . . . 11 ALA HA . 6761 1 89 . 1 1 11 11 ALA HB1 H 1 1.175 0.020 . 1 . . . . 11 ALA HB . 6761 1 90 . 1 1 11 11 ALA HB2 H 1 1.175 0.020 . 1 . . . . 11 ALA HB . 6761 1 91 . 1 1 11 11 ALA HB3 H 1 1.175 0.020 . 1 . . . . 11 ALA HB . 6761 1 92 . 1 1 11 11 ALA C C 13 175.103 0.400 . 1 . . . . 11 ALA C . 6761 1 93 . 1 1 11 11 ALA CA C 13 51.510 0.400 . 1 . . . . 11 ALA CA . 6761 1 94 . 1 1 11 11 ALA CB C 13 22.050 0.400 . 1 . . . . 11 ALA CB . 6761 1 95 . 1 1 11 11 ALA N N 15 125.492 0.400 . 1 . . . . 11 ALA N . 6761 1 96 . 1 1 12 12 VAL H H 1 8.398 0.020 . 1 . . . . 12 VAL H . 6761 1 97 . 1 1 12 12 VAL HA H 1 4.653 0.020 . 1 . . . . 12 VAL HA . 6761 1 98 . 1 1 12 12 VAL HB H 1 2.154 0.020 . 1 . . . . 12 VAL HB . 6761 1 99 . 1 1 12 12 VAL HG11 H 1 0.800 0.020 . 2 . . . . 12 VAL HG1 . 6761 1 100 . 1 1 12 12 VAL HG12 H 1 0.800 0.020 . 2 . . . . 12 VAL HG1 . 6761 1 101 . 1 1 12 12 VAL HG13 H 1 0.800 0.020 . 2 . . . . 12 VAL HG1 . 6761 1 102 . 1 1 12 12 VAL HG21 H 1 0.665 0.020 . 2 . . . . 12 VAL HG2 . 6761 1 103 . 1 1 12 12 VAL HG22 H 1 0.665 0.020 . 2 . . . . 12 VAL HG2 . 6761 1 104 . 1 1 12 12 VAL HG23 H 1 0.665 0.020 . 2 . . . . 12 VAL HG2 . 6761 1 105 . 1 1 12 12 VAL C C 13 174.019 0.400 . 1 . . . . 12 VAL C . 6761 1 106 . 1 1 12 12 VAL CA C 13 59.249 0.400 . 1 . . . . 12 VAL CA . 6761 1 107 . 1 1 12 12 VAL CB C 13 35.049 0.400 . 1 . . . . 12 VAL CB . 6761 1 108 . 1 1 12 12 VAL CG1 C 13 23.716 0.400 . 1 . . . . 12 VAL CG1 . 6761 1 109 . 1 1 12 12 VAL CG2 C 13 20.060 0.400 . 1 . . . . 12 VAL CG2 . 6761 1 110 . 1 1 12 12 VAL N N 15 112.196 0.400 . 1 . . . . 12 VAL N . 6761 1 111 . 1 1 13 13 SER H H 1 8.553 0.020 . 1 . . . . 13 SER H . 6761 1 112 . 1 1 13 13 SER HA H 1 5.323 0.020 . 1 . . . . 13 SER HA . 6761 1 113 . 1 1 13 13 SER HB2 H 1 3.680 0.020 . 1 . . . . 13 SER HB2 . 6761 1 114 . 1 1 13 13 SER HB3 H 1 3.611 0.020 . 1 . . . . 13 SER HB3 . 6761 1 115 . 1 1 13 13 SER C C 13 173.600 0.400 . 1 . . . . 13 SER C . 6761 1 116 . 1 1 13 13 SER CA C 13 56.371 0.400 . 1 . . . . 13 SER CA . 6761 1 117 . 1 1 13 13 SER CB C 13 65.439 0.400 . 1 . . . . 13 SER CB . 6761 1 118 . 1 1 13 13 SER N N 15 115.831 0.400 . 1 . . . . 13 SER N . 6761 1 119 . 1 1 14 14 VAL H H 1 9.337 0.020 . 1 . . . . 14 VAL H . 6761 1 120 . 1 1 14 14 VAL HA H 1 4.465 0.020 . 1 . . . . 14 VAL HA . 6761 1 121 . 1 1 14 14 VAL HB H 1 2.167 0.020 . 1 . . . . 14 VAL HB . 6761 1 122 . 1 1 14 14 VAL HG11 H 1 0.740 0.020 . 1 . . . . 14 VAL HG1 . 6761 1 123 . 1 1 14 14 VAL HG12 H 1 0.740 0.020 . 1 . . . . 14 VAL HG1 . 6761 1 124 . 1 1 14 14 VAL HG13 H 1 0.740 0.020 . 1 . . . . 14 VAL HG1 . 6761 1 125 . 1 1 14 14 VAL HG21 H 1 0.665 0.020 . 1 . . . . 14 VAL HG2 . 6761 1 126 . 1 1 14 14 VAL HG22 H 1 0.665 0.020 . 1 . . . . 14 VAL HG2 . 6761 1 127 . 1 1 14 14 VAL HG23 H 1 0.665 0.020 . 1 . . . . 14 VAL HG2 . 6761 1 128 . 1 1 14 14 VAL C C 13 175.137 0.400 . 1 . . . . 14 VAL C . 6761 1 129 . 1 1 14 14 VAL CA C 13 61.095 0.400 . 1 . . . . 14 VAL CA . 6761 1 130 . 1 1 14 14 VAL CB C 13 34.205 0.400 . 1 . . . . 14 VAL CB . 6761 1 131 . 1 1 14 14 VAL CG1 C 13 21.542 0.400 . 1 . . . . 14 VAL CG1 . 6761 1 132 . 1 1 14 14 VAL CG2 C 13 23.255 0.400 . 1 . . . . 14 VAL CG2 . 6761 1 133 . 1 1 14 14 VAL N N 15 124.794 0.400 . 1 . . . . 14 VAL N . 6761 1 134 . 1 1 15 15 LEU H H 1 8.810 0.020 . 1 . . . . 15 LEU H . 6761 1 135 . 1 1 15 15 LEU HA H 1 4.682 0.020 . 1 . . . . 15 LEU HA . 6761 1 136 . 1 1 15 15 LEU HB2 H 1 1.944 0.020 . 1 . . . . 15 LEU HB2 . 6761 1 137 . 1 1 15 15 LEU HB3 H 1 1.437 0.020 . 1 . . . . 15 LEU HB3 . 6761 1 138 . 1 1 15 15 LEU HG H 1 1.540 0.020 . 1 . . . . 15 LEU HG . 6761 1 139 . 1 1 15 15 LEU HD11 H 1 0.877 0.020 . 2 . . . . 15 LEU HD1 . 6761 1 140 . 1 1 15 15 LEU HD12 H 1 0.877 0.020 . 2 . . . . 15 LEU HD1 . 6761 1 141 . 1 1 15 15 LEU HD13 H 1 0.877 0.020 . 2 . . . . 15 LEU HD1 . 6761 1 142 . 1 1 15 15 LEU HD21 H 1 0.779 0.020 . 2 . . . . 15 LEU HD2 . 6761 1 143 . 1 1 15 15 LEU HD22 H 1 0.779 0.020 . 2 . . . . 15 LEU HD2 . 6761 1 144 . 1 1 15 15 LEU HD23 H 1 0.779 0.020 . 2 . . . . 15 LEU HD2 . 6761 1 145 . 1 1 15 15 LEU C C 13 175.124 0.400 . 1 . . . . 15 LEU C . 6761 1 146 . 1 1 15 15 LEU CA C 13 54.321 0.400 . 1 . . . . 15 LEU CA . 6761 1 147 . 1 1 15 15 LEU CB C 13 43.007 0.400 . 1 . . . . 15 LEU CB . 6761 1 148 . 1 1 15 15 LEU CG C 13 27.109 0.400 . 1 . . . . 15 LEU CG . 6761 1 149 . 1 1 15 15 LEU CD1 C 13 26.040 0.400 . 1 . . . . 15 LEU CD1 . 6761 1 150 . 1 1 15 15 LEU CD2 C 13 23.568 0.400 . 1 . . . . 15 LEU CD2 . 6761 1 151 . 1 1 15 15 LEU N N 15 129.180 0.400 . 1 . . . . 15 LEU N . 6761 1 152 . 1 1 16 16 ALA H H 1 8.847 0.020 . 1 . . . . 16 ALA H . 6761 1 153 . 1 1 16 16 ALA HA H 1 4.902 0.020 . 1 . . . . 16 ALA HA . 6761 1 154 . 1 1 16 16 ALA HB1 H 1 1.351 0.020 . 1 . . . . 16 ALA HB . 6761 1 155 . 1 1 16 16 ALA HB2 H 1 1.351 0.020 . 1 . . . . 16 ALA HB . 6761 1 156 . 1 1 16 16 ALA HB3 H 1 1.351 0.020 . 1 . . . . 16 ALA HB . 6761 1 157 . 1 1 16 16 ALA C C 13 177.246 0.400 . 1 . . . . 16 ALA C . 6761 1 158 . 1 1 16 16 ALA CA C 13 50.472 0.400 . 1 . . . . 16 ALA CA . 6761 1 159 . 1 1 16 16 ALA CB C 13 18.119 0.400 . 1 . . . . 16 ALA CB . 6761 1 160 . 1 1 16 16 ALA N N 15 132.389 0.400 . 1 . . . . 16 ALA N . 6761 1 161 . 1 1 17 17 PRO HA H 1 4.409 0.020 . 1 . . . . 17 PRO HA . 6761 1 162 . 1 1 17 17 PRO HB2 H 1 1.780 0.020 . 2 . . . . 17 PRO HB2 . 6761 1 163 . 1 1 17 17 PRO HB3 H 1 2.446 0.020 . 2 . . . . 17 PRO HB3 . 6761 1 164 . 1 1 17 17 PRO HG2 H 1 1.429 0.020 . 2 . . . . 17 PRO HG2 . 6761 1 165 . 1 1 17 17 PRO HG3 H 1 1.245 0.020 . 2 . . . . 17 PRO HG3 . 6761 1 166 . 1 1 17 17 PRO HD2 H 1 3.341 0.020 . 2 . . . . 17 PRO HD2 . 6761 1 167 . 1 1 17 17 PRO HD3 H 1 2.104 0.020 . 2 . . . . 17 PRO HD3 . 6761 1 168 . 1 1 17 17 PRO C C 13 176.068 0.400 . 1 . . . . 17 PRO C . 6761 1 169 . 1 1 17 17 PRO CA C 13 64.570 0.400 . 1 . . . . 17 PRO CA . 6761 1 170 . 1 1 17 17 PRO CB C 13 31.655 0.400 . 1 . . . . 17 PRO CB . 6761 1 171 . 1 1 17 17 PRO CG C 13 28.047 0.400 . 1 . . . . 17 PRO CG . 6761 1 172 . 1 1 17 17 PRO CD C 13 50.270 0.400 . 1 . . . . 17 PRO CD . 6761 1 173 . 1 1 18 18 ASN H H 1 7.211 0.020 . 1 . . . . 18 ASN H . 6761 1 174 . 1 1 18 18 ASN HA H 1 4.765 0.020 . 1 . . . . 18 ASN HA . 6761 1 175 . 1 1 18 18 ASN HB2 H 1 3.409 0.020 . 1 . . . . 18 ASN HB2 . 6761 1 176 . 1 1 18 18 ASN HB3 H 1 3.062 0.020 . 1 . . . . 18 ASN HB3 . 6761 1 177 . 1 1 18 18 ASN C C 13 176.463 0.400 . 1 . . . . 18 ASN C . 6761 1 178 . 1 1 18 18 ASN CA C 13 52.213 0.400 . 1 . . . . 18 ASN CA . 6761 1 179 . 1 1 18 18 ASN CB C 13 37.468 0.400 . 1 . . . . 18 ASN CB . 6761 1 180 . 1 1 18 18 ASN N N 15 111.236 0.400 . 1 . . . . 18 ASN N . 6761 1 181 . 1 1 19 19 GLY H H 1 8.348 0.020 . 1 . . . . 19 GLY H . 6761 1 182 . 1 1 19 19 GLY HA2 H 1 3.991 0.020 . 1 . . . . 19 GLY HA2 . 6761 1 183 . 1 1 19 19 GLY HA3 H 1 3.991 0.020 . 1 . . . . 19 GLY HA3 . 6761 1 184 . 1 1 19 19 GLY C C 13 173.914 0.400 . 1 . . . . 19 GLY C . 6761 1 185 . 1 1 19 19 GLY CA C 13 45.611 0.400 . 1 . . . . 19 GLY CA . 6761 1 186 . 1 1 19 19 GLY N N 15 107.842 0.400 . 1 . . . . 19 GLY N . 6761 1 187 . 1 1 20 20 ARG H H 1 7.434 0.020 . 1 . . . . 20 ARG H . 6761 1 188 . 1 1 20 20 ARG HA H 1 4.382 0.020 . 1 . . . . 20 ARG HA . 6761 1 189 . 1 1 20 20 ARG HB2 H 1 1.756 0.020 . 1 . . . . 20 ARG HB2 . 6761 1 190 . 1 1 20 20 ARG HB3 H 1 1.756 0.020 . 1 . . . . 20 ARG HB3 . 6761 1 191 . 1 1 20 20 ARG HG2 H 1 1.446 0.020 . 2 . . . . 20 ARG HG2 . 6761 1 192 . 1 1 20 20 ARG HG3 H 1 1.530 0.020 . 2 . . . . 20 ARG HG3 . 6761 1 193 . 1 1 20 20 ARG HD2 H 1 3.185 0.020 . 1 . . . . 20 ARG HD2 . 6761 1 194 . 1 1 20 20 ARG HD3 H 1 3.185 0.020 . 1 . . . . 20 ARG HD3 . 6761 1 195 . 1 1 20 20 ARG C C 13 174.938 0.400 . 1 . . . . 20 ARG C . 6761 1 196 . 1 1 20 20 ARG CA C 13 55.476 0.400 . 1 . . . . 20 ARG CA . 6761 1 197 . 1 1 20 20 ARG CB C 13 30.914 0.400 . 1 . . . . 20 ARG CB . 6761 1 198 . 1 1 20 20 ARG CG C 13 27.407 0.400 . 1 . . . . 20 ARG CG . 6761 1 199 . 1 1 20 20 ARG CD C 13 43.218 0.400 . 1 . . . . 20 ARG CD . 6761 1 200 . 1 1 20 20 ARG N N 15 120.140 0.400 . 1 . . . . 20 ARG N . 6761 1 201 . 1 1 21 21 ARG H H 1 8.549 0.020 . 1 . . . . 21 ARG H . 6761 1 202 . 1 1 21 21 ARG HA H 1 5.186 0.020 . 1 . . . . 21 ARG HA . 6761 1 203 . 1 1 21 21 ARG HB2 H 1 1.629 0.020 . 1 . . . . 21 ARG HB2 . 6761 1 204 . 1 1 21 21 ARG HB3 H 1 1.629 0.020 . 1 . . . . 21 ARG HB3 . 6761 1 205 . 1 1 21 21 ARG HG2 H 1 1.386 0.020 . 2 . . . . 21 ARG HG2 . 6761 1 206 . 1 1 21 21 ARG HG3 H 1 1.603 0.020 . 2 . . . . 21 ARG HG3 . 6761 1 207 . 1 1 21 21 ARG HD2 H 1 3.145 0.020 . 1 . . . . 21 ARG HD2 . 6761 1 208 . 1 1 21 21 ARG HD3 H 1 3.145 0.020 . 1 . . . . 21 ARG HD3 . 6761 1 209 . 1 1 21 21 ARG C C 13 175.658 0.400 . 1 . . . . 21 ARG C . 6761 1 210 . 1 1 21 21 ARG CA C 13 55.039 0.400 . 1 . . . . 21 ARG CA . 6761 1 211 . 1 1 21 21 ARG CB C 13 32.112 0.400 . 1 . . . . 21 ARG CB . 6761 1 212 . 1 1 21 21 ARG CG C 13 28.889 0.400 . 1 . . . . 21 ARG CG . 6761 1 213 . 1 1 21 21 ARG CD C 13 43.284 0.400 . 1 . . . . 21 ARG CD . 6761 1 214 . 1 1 21 21 ARG N N 15 122.391 0.400 . 1 . . . . 21 ARG N . 6761 1 215 . 1 1 22 22 HIS H H 1 8.978 0.020 . 1 . . . . 22 HIS H . 6761 1 216 . 1 1 22 22 HIS HA H 1 4.930 0.020 . 1 . . . . 22 HIS HA . 6761 1 217 . 1 1 22 22 HIS HB2 H 1 3.066 0.020 . 1 . . . . 22 HIS HB2 . 6761 1 218 . 1 1 22 22 HIS HB3 H 1 2.827 0.020 . 1 . . . . 22 HIS HB3 . 6761 1 219 . 1 1 22 22 HIS HD2 H 1 6.933 0.020 . 1 . . . . 22 HIS HD2 . 6761 1 220 . 1 1 22 22 HIS HE1 H 1 7.699 0.020 . 1 . . . . 22 HIS HE1 . 6761 1 221 . 1 1 22 22 HIS C C 13 174.423 0.400 . 1 . . . . 22 HIS C . 6761 1 222 . 1 1 22 22 HIS CA C 13 55.256 0.400 . 1 . . . . 22 HIS CA . 6761 1 223 . 1 1 22 22 HIS CB C 13 34.631 0.400 . 1 . . . . 22 HIS CB . 6761 1 224 . 1 1 22 22 HIS CD2 C 13 120.211 0.400 . 1 . . . . 22 HIS CD2 . 6761 1 225 . 1 1 22 22 HIS CE1 C 13 138.957 0.400 . 1 . . . . 22 HIS CE1 . 6761 1 226 . 1 1 22 22 HIS N N 15 126.048 0.400 . 1 . . . . 22 HIS N . 6761 1 227 . 1 1 23 23 THR H H 1 8.341 0.020 . 1 . . . . 23 THR H . 6761 1 228 . 1 1 23 23 THR HA H 1 4.853 0.020 . 1 . . . . 23 THR HA . 6761 1 229 . 1 1 23 23 THR HB H 1 3.857 0.020 . 1 . . . . 23 THR HB . 6761 1 230 . 1 1 23 23 THR HG21 H 1 1.014 0.020 . 1 . . . . 23 THR HG2 . 6761 1 231 . 1 1 23 23 THR HG22 H 1 1.014 0.020 . 1 . . . . 23 THR HG2 . 6761 1 232 . 1 1 23 23 THR HG23 H 1 1.014 0.020 . 1 . . . . 23 THR HG2 . 6761 1 233 . 1 1 23 23 THR C C 13 173.523 0.400 . 1 . . . . 23 THR C . 6761 1 234 . 1 1 23 23 THR CA C 13 62.599 0.400 . 1 . . . . 23 THR CA . 6761 1 235 . 1 1 23 23 THR CB C 13 69.538 0.400 . 1 . . . . 23 THR CB . 6761 1 236 . 1 1 23 23 THR CG2 C 13 21.724 0.400 . 1 . . . . 23 THR CG2 . 6761 1 237 . 1 1 23 23 THR N N 15 123.747 0.400 . 1 . . . . 23 THR N . 6761 1 238 . 1 1 24 24 VAL H H 1 8.814 0.020 . 1 . . . . 24 VAL H . 6761 1 239 . 1 1 24 24 VAL HA H 1 4.138 0.020 . 1 . . . . 24 VAL HA . 6761 1 240 . 1 1 24 24 VAL HB H 1 1.689 0.020 . 1 . . . . 24 VAL HB . 6761 1 241 . 1 1 24 24 VAL HG11 H 1 0.884 0.020 . 2 . . . . 24 VAL HG1 . 6761 1 242 . 1 1 24 24 VAL HG12 H 1 0.884 0.020 . 2 . . . . 24 VAL HG1 . 6761 1 243 . 1 1 24 24 VAL HG13 H 1 0.884 0.020 . 2 . . . . 24 VAL HG1 . 6761 1 244 . 1 1 24 24 VAL HG21 H 1 0.884 0.020 . 2 . . . . 24 VAL HG2 . 6761 1 245 . 1 1 24 24 VAL HG22 H 1 0.884 0.020 . 2 . . . . 24 VAL HG2 . 6761 1 246 . 1 1 24 24 VAL HG23 H 1 0.884 0.020 . 2 . . . . 24 VAL HG2 . 6761 1 247 . 1 1 24 24 VAL C C 13 174.674 0.400 . 1 . . . . 24 VAL C . 6761 1 248 . 1 1 24 24 VAL CA C 13 61.002 0.400 . 1 . . . . 24 VAL CA . 6761 1 249 . 1 1 24 24 VAL CB C 13 34.770 0.400 . 1 . . . . 24 VAL CB . 6761 1 250 . 1 1 24 24 VAL CG1 C 13 21.518 0.400 . 1 . . . . 24 VAL CG1 . 6761 1 251 . 1 1 24 24 VAL N N 15 127.277 0.400 . 1 . . . . 24 VAL N . 6761 1 252 . 1 1 25 25 LYS H H 1 8.501 0.020 . 1 . . . . 25 LYS H . 6761 1 253 . 1 1 25 25 LYS HA H 1 4.404 0.020 . 1 . . . . 25 LYS HA . 6761 1 254 . 1 1 25 25 LYS HB2 H 1 1.668 0.020 . 1 . . . . 25 LYS HB2 . 6761 1 255 . 1 1 25 25 LYS HB3 H 1 1.739 0.020 . 1 . . . . 25 LYS HB3 . 6761 1 256 . 1 1 25 25 LYS HG2 H 1 1.273 0.020 . 2 . . . . 25 LYS HG2 . 6761 1 257 . 1 1 25 25 LYS HG3 H 1 1.477 0.020 . 2 . . . . 25 LYS HG3 . 6761 1 258 . 1 1 25 25 LYS HD2 H 1 1.615 0.020 . 1 . . . . 25 LYS HD2 . 6761 1 259 . 1 1 25 25 LYS HD3 H 1 1.615 0.020 . 1 . . . . 25 LYS HD3 . 6761 1 260 . 1 1 25 25 LYS HE2 H 1 2.912 0.020 . 1 . . . . 25 LYS HE2 . 6761 1 261 . 1 1 25 25 LYS HE3 H 1 2.912 0.020 . 1 . . . . 25 LYS HE3 . 6761 1 262 . 1 1 25 25 LYS C C 13 176.154 0.400 . 1 . . . . 25 LYS C . 6761 1 263 . 1 1 25 25 LYS CA C 13 56.622 0.400 . 1 . . . . 25 LYS CA . 6761 1 264 . 1 1 25 25 LYS CB C 13 32.426 0.400 . 1 . . . . 25 LYS CB . 6761 1 265 . 1 1 25 25 LYS CG C 13 25.085 0.400 . 1 . . . . 25 LYS CG . 6761 1 266 . 1 1 25 25 LYS CD C 13 29.079 0.400 . 1 . . . . 25 LYS CD . 6761 1 267 . 1 1 25 25 LYS CE C 13 42.006 0.400 . 1 . . . . 25 LYS CE . 6761 1 268 . 1 1 25 25 LYS N N 15 126.934 0.400 . 1 . . . . 25 LYS N . 6761 1 269 . 1 1 26 26 VAL H H 1 7.847 0.020 . 1 . . . . 26 VAL H . 6761 1 270 . 1 1 26 26 VAL HA H 1 4.482 0.020 . 1 . . . . 26 VAL HA . 6761 1 271 . 1 1 26 26 VAL HB H 1 1.316 0.020 . 1 . . . . 26 VAL HB . 6761 1 272 . 1 1 26 26 VAL HG11 H 1 0.247 0.020 . 2 . . . . 26 VAL HG1 . 6761 1 273 . 1 1 26 26 VAL HG12 H 1 0.247 0.020 . 2 . . . . 26 VAL HG1 . 6761 1 274 . 1 1 26 26 VAL HG13 H 1 0.247 0.020 . 2 . . . . 26 VAL HG1 . 6761 1 275 . 1 1 26 26 VAL HG21 H 1 -0.880 0.020 . 2 . . . . 26 VAL HG2 . 6761 1 276 . 1 1 26 26 VAL HG22 H 1 -0.880 0.020 . 2 . . . . 26 VAL HG2 . 6761 1 277 . 1 1 26 26 VAL HG23 H 1 -0.880 0.020 . 2 . . . . 26 VAL HG2 . 6761 1 278 . 1 1 26 26 VAL C C 13 174.214 0.400 . 1 . . . . 26 VAL C . 6761 1 279 . 1 1 26 26 VAL CA C 13 59.022 0.400 . 1 . . . . 26 VAL CA . 6761 1 280 . 1 1 26 26 VAL CB C 13 34.979 0.400 . 1 . . . . 26 VAL CB . 6761 1 281 . 1 1 26 26 VAL CG1 C 13 21.913 0.400 . 1 . . . . 26 VAL CG1 . 6761 1 282 . 1 1 26 26 VAL CG2 C 13 16.169 0.400 . 1 . . . . 26 VAL CG2 . 6761 1 283 . 1 1 26 26 VAL N N 15 114.958 0.400 . 1 . . . . 26 VAL N . 6761 1 284 . 1 1 27 27 THR H H 1 8.429 0.020 . 1 . . . . 27 THR H . 6761 1 285 . 1 1 27 27 THR HA H 1 4.780 0.020 . 1 . . . . 27 THR HA . 6761 1 286 . 1 1 27 27 THR HB H 1 4.601 0.020 . 1 . . . . 27 THR HB . 6761 1 287 . 1 1 27 27 THR HG21 H 1 1.095 0.020 . 1 . . . . 27 THR HG2 . 6761 1 288 . 1 1 27 27 THR HG22 H 1 1.095 0.020 . 1 . . . . 27 THR HG2 . 6761 1 289 . 1 1 27 27 THR HG23 H 1 1.095 0.020 . 1 . . . . 27 THR HG2 . 6761 1 290 . 1 1 27 27 THR C C 13 173.652 0.400 . 1 . . . . 27 THR C . 6761 1 291 . 1 1 27 27 THR CA C 13 58.925 0.400 . 1 . . . . 27 THR CA . 6761 1 292 . 1 1 27 27 THR CB C 13 68.784 0.400 . 1 . . . . 27 THR CB . 6761 1 293 . 1 1 27 27 THR CG2 C 13 21.414 0.400 . 1 . . . . 27 THR CG2 . 6761 1 294 . 1 1 27 27 THR N N 15 114.214 0.400 . 1 . . . . 27 THR N . 6761 1 295 . 1 1 28 28 PRO HA H 1 4.366 0.020 . 1 . . . . 28 PRO HA . 6761 1 296 . 1 1 28 28 PRO HB2 H 1 2.461 0.020 . 2 . . . . 28 PRO HB2 . 6761 1 297 . 1 1 28 28 PRO HB3 H 1 2.013 0.020 . 2 . . . . 28 PRO HB3 . 6761 1 298 . 1 1 28 28 PRO HG2 H 1 2.224 0.020 . 1 . . . . 28 PRO HG2 . 6761 1 299 . 1 1 28 28 PRO HG3 H 1 2.224 0.020 . 1 . . . . 28 PRO HG3 . 6761 1 300 . 1 1 28 28 PRO HD2 H 1 3.846 0.020 . 1 . . . . 28 PRO HD2 . 6761 1 301 . 1 1 28 28 PRO HD3 H 1 3.846 0.020 . 1 . . . . 28 PRO HD3 . 6761 1 302 . 1 1 28 28 PRO C C 13 176.416 0.400 . 1 . . . . 28 PRO C . 6761 1 303 . 1 1 28 28 PRO CA C 13 66.687 0.400 . 1 . . . . 28 PRO CA . 6761 1 304 . 1 1 28 28 PRO CB C 13 32.677 0.400 . 1 . . . . 28 PRO CB . 6761 1 305 . 1 1 28 28 PRO CG C 13 28.250 0.400 . 1 . . . . 28 PRO CG . 6761 1 306 . 1 1 28 28 PRO CD C 13 50.339 0.400 . 1 . . . . 28 PRO CD . 6761 1 307 . 1 1 29 29 SER H H 1 7.496 0.020 . 1 . . . . 29 SER H . 6761 1 308 . 1 1 29 29 SER HA H 1 4.665 0.020 . 1 . . . . 29 SER HA . 6761 1 309 . 1 1 29 29 SER HB2 H 1 3.992 0.020 . 1 . . . . 29 SER HB2 . 6761 1 310 . 1 1 29 29 SER HB3 H 1 3.791 0.020 . 1 . . . . 29 SER HB3 . 6761 1 311 . 1 1 29 29 SER C C 13 174.710 0.400 . 1 . . . . 29 SER C . 6761 1 312 . 1 1 29 29 SER CA C 13 57.817 0.400 . 1 . . . . 29 SER CA . 6761 1 313 . 1 1 29 29 SER CB C 13 63.909 0.400 . 1 . . . . 29 SER CB . 6761 1 314 . 1 1 29 29 SER N N 15 105.692 0.400 . 1 . . . . 29 SER N . 6761 1 315 . 1 1 30 30 THR H H 1 8.073 0.020 . 1 . . . . 30 THR H . 6761 1 316 . 1 1 30 30 THR HA H 1 4.016 0.020 . 1 . . . . 30 THR HA . 6761 1 317 . 1 1 30 30 THR HB H 1 4.134 0.020 . 1 . . . . 30 THR HB . 6761 1 318 . 1 1 30 30 THR HG21 H 1 1.258 0.020 . 1 . . . . 30 THR HG2 . 6761 1 319 . 1 1 30 30 THR HG22 H 1 1.258 0.020 . 1 . . . . 30 THR HG2 . 6761 1 320 . 1 1 30 30 THR HG23 H 1 1.258 0.020 . 1 . . . . 30 THR HG2 . 6761 1 321 . 1 1 30 30 THR C C 13 173.650 0.400 . 1 . . . . 30 THR C . 6761 1 322 . 1 1 30 30 THR CA C 13 65.274 0.400 . 1 . . . . 30 THR CA . 6761 1 323 . 1 1 30 30 THR CB C 13 70.401 0.400 . 1 . . . . 30 THR CB . 6761 1 324 . 1 1 30 30 THR CG2 C 13 21.727 0.400 . 1 . . . . 30 THR CG2 . 6761 1 325 . 1 1 30 30 THR N N 15 122.630 0.400 . 1 . . . . 30 THR N . 6761 1 326 . 1 1 31 31 VAL H H 1 8.719 0.020 . 1 . . . . 31 VAL H . 6761 1 327 . 1 1 31 31 VAL HA H 1 4.748 0.020 . 1 . . . . 31 VAL HA . 6761 1 328 . 1 1 31 31 VAL HB H 1 2.162 0.020 . 1 . . . . 31 VAL HB . 6761 1 329 . 1 1 31 31 VAL HG11 H 1 1.153 0.020 . 2 . . . . 31 VAL HG1 . 6761 1 330 . 1 1 31 31 VAL HG12 H 1 1.153 0.020 . 2 . . . . 31 VAL HG1 . 6761 1 331 . 1 1 31 31 VAL HG13 H 1 1.153 0.020 . 2 . . . . 31 VAL HG1 . 6761 1 332 . 1 1 31 31 VAL HG21 H 1 1.153 0.020 . 2 . . . . 31 VAL HG2 . 6761 1 333 . 1 1 31 31 VAL HG22 H 1 1.153 0.020 . 2 . . . . 31 VAL HG2 . 6761 1 334 . 1 1 31 31 VAL HG23 H 1 1.153 0.020 . 2 . . . . 31 VAL HG2 . 6761 1 335 . 1 1 31 31 VAL C C 13 178.745 0.400 . 1 . . . . 31 VAL C . 6761 1 336 . 1 1 31 31 VAL CA C 13 61.317 0.400 . 1 . . . . 31 VAL CA . 6761 1 337 . 1 1 31 31 VAL CB C 13 32.918 0.400 . 1 . . . . 31 VAL CB . 6761 1 338 . 1 1 31 31 VAL CG1 C 13 22.596 0.400 . 1 . . . . 31 VAL CG1 . 6761 1 339 . 1 1 31 31 VAL N N 15 128.714 0.400 . 1 . . . . 31 VAL N . 6761 1 340 . 1 1 32 32 LEU H H 1 8.755 0.020 . 1 . . . . 32 LEU H . 6761 1 341 . 1 1 32 32 LEU HA H 1 3.962 0.020 . 1 . . . . 32 LEU HA . 6761 1 342 . 1 1 32 32 LEU HB2 H 1 2.192 0.020 . 1 . . . . 32 LEU HB2 . 6761 1 343 . 1 1 32 32 LEU HB3 H 1 1.336 0.020 . 1 . . . . 32 LEU HB3 . 6761 1 344 . 1 1 32 32 LEU HG H 1 2.003 0.020 . 1 . . . . 32 LEU HG . 6761 1 345 . 1 1 32 32 LEU HD11 H 1 0.844 0.020 . 2 . . . . 32 LEU HD1 . 6761 1 346 . 1 1 32 32 LEU HD12 H 1 0.844 0.020 . 2 . . . . 32 LEU HD1 . 6761 1 347 . 1 1 32 32 LEU HD13 H 1 0.844 0.020 . 2 . . . . 32 LEU HD1 . 6761 1 348 . 1 1 32 32 LEU HD21 H 1 0.974 0.020 . 2 . . . . 32 LEU HD2 . 6761 1 349 . 1 1 32 32 LEU HD22 H 1 0.974 0.020 . 2 . . . . 32 LEU HD2 . 6761 1 350 . 1 1 32 32 LEU HD23 H 1 0.974 0.020 . 2 . . . . 32 LEU HD2 . 6761 1 351 . 1 1 32 32 LEU C C 13 179.490 0.400 . 1 . . . . 32 LEU C . 6761 1 352 . 1 1 32 32 LEU CA C 13 58.981 0.400 . 1 . . . . 32 LEU CA . 6761 1 353 . 1 1 32 32 LEU CB C 13 41.346 0.400 . 1 . . . . 32 LEU CB . 6761 1 354 . 1 1 32 32 LEU CG C 13 27.680 0.400 . 1 . . . . 32 LEU CG . 6761 1 355 . 1 1 32 32 LEU CD1 C 13 21.992 0.400 . 1 . . . . 32 LEU CD1 . 6761 1 356 . 1 1 32 32 LEU CD2 C 13 26.116 0.400 . 1 . . . . 32 LEU CD2 . 6761 1 357 . 1 1 32 32 LEU N N 15 127.410 0.400 . 1 . . . . 32 LEU N . 6761 1 358 . 1 1 33 33 LEU H H 1 8.793 0.020 . 1 . . . . 33 LEU H . 6761 1 359 . 1 1 33 33 LEU HA H 1 4.122 0.020 . 1 . . . . 33 LEU HA . 6761 1 360 . 1 1 33 33 LEU HB2 H 1 1.657 0.020 . 1 . . . . 33 LEU HB2 . 6761 1 361 . 1 1 33 33 LEU HB3 H 1 1.643 0.020 . 1 . . . . 33 LEU HB3 . 6761 1 362 . 1 1 33 33 LEU HG H 1 1.622 0.020 . 1 . . . . 33 LEU HG . 6761 1 363 . 1 1 33 33 LEU HD11 H 1 0.902 0.020 . 1 . . . . 33 LEU HD1 . 6761 1 364 . 1 1 33 33 LEU HD12 H 1 0.902 0.020 . 1 . . . . 33 LEU HD1 . 6761 1 365 . 1 1 33 33 LEU HD13 H 1 0.902 0.020 . 1 . . . . 33 LEU HD1 . 6761 1 366 . 1 1 33 33 LEU HD21 H 1 1.039 0.020 . 1 . . . . 33 LEU HD2 . 6761 1 367 . 1 1 33 33 LEU HD22 H 1 1.039 0.020 . 1 . . . . 33 LEU HD2 . 6761 1 368 . 1 1 33 33 LEU HD23 H 1 1.039 0.020 . 1 . . . . 33 LEU HD2 . 6761 1 369 . 1 1 33 33 LEU C C 13 178.042 0.400 . 1 . . . . 33 LEU C . 6761 1 370 . 1 1 33 33 LEU CA C 13 58.667 0.400 . 1 . . . . 33 LEU CA . 6761 1 371 . 1 1 33 33 LEU CB C 13 42.265 0.400 . 1 . . . . 33 LEU CB . 6761 1 372 . 1 1 33 33 LEU CG C 13 27.058 0.400 . 1 . . . . 33 LEU CG . 6761 1 373 . 1 1 33 33 LEU CD1 C 13 25.844 0.400 . 1 . . . . 33 LEU CD1 . 6761 1 374 . 1 1 33 33 LEU CD2 C 13 23.409 0.400 . 1 . . . . 33 LEU CD2 . 6761 1 375 . 1 1 33 33 LEU N N 15 119.967 0.400 . 1 . . . . 33 LEU N . 6761 1 376 . 1 1 34 34 GLN H H 1 7.984 0.020 . 1 . . . . 34 GLN H . 6761 1 377 . 1 1 34 34 GLN HA H 1 4.197 0.020 . 1 . . . . 34 GLN HA . 6761 1 378 . 1 1 34 34 GLN HB2 H 1 2.214 0.020 . 1 . . . . 34 GLN HB2 . 6761 1 379 . 1 1 34 34 GLN HB3 H 1 2.465 0.020 . 1 . . . . 34 GLN HB3 . 6761 1 380 . 1 1 34 34 GLN HG2 H 1 2.512 0.020 . 1 . . . . 34 GLN HG2 . 6761 1 381 . 1 1 34 34 GLN HG3 H 1 2.512 0.020 . 1 . . . . 34 GLN HG3 . 6761 1 382 . 1 1 34 34 GLN C C 13 179.192 0.400 . 1 . . . . 34 GLN C . 6761 1 383 . 1 1 34 34 GLN CA C 13 59.074 0.400 . 1 . . . . 34 GLN CA . 6761 1 384 . 1 1 34 34 GLN CB C 13 28.694 0.400 . 1 . . . . 34 GLN CB . 6761 1 385 . 1 1 34 34 GLN CG C 13 34.939 0.400 . 1 . . . . 34 GLN CG . 6761 1 386 . 1 1 34 34 GLN N N 15 116.389 0.400 . 1 . . . . 34 GLN N . 6761 1 387 . 1 1 35 35 VAL H H 1 7.485 0.020 . 1 . . . . 35 VAL H . 6761 1 388 . 1 1 35 35 VAL HA H 1 3.677 0.020 . 1 . . . . 35 VAL HA . 6761 1 389 . 1 1 35 35 VAL HB H 1 2.507 0.020 . 1 . . . . 35 VAL HB . 6761 1 390 . 1 1 35 35 VAL HG11 H 1 0.830 0.020 . 2 . . . . 35 VAL HG1 . 6761 1 391 . 1 1 35 35 VAL HG12 H 1 0.830 0.020 . 2 . . . . 35 VAL HG1 . 6761 1 392 . 1 1 35 35 VAL HG13 H 1 0.830 0.020 . 2 . . . . 35 VAL HG1 . 6761 1 393 . 1 1 35 35 VAL HG21 H 1 0.706 0.020 . 2 . . . . 35 VAL HG2 . 6761 1 394 . 1 1 35 35 VAL HG22 H 1 0.706 0.020 . 2 . . . . 35 VAL HG2 . 6761 1 395 . 1 1 35 35 VAL HG23 H 1 0.706 0.020 . 2 . . . . 35 VAL HG2 . 6761 1 396 . 1 1 35 35 VAL C C 13 178.849 0.400 . 1 . . . . 35 VAL C . 6761 1 397 . 1 1 35 35 VAL CA C 13 65.885 0.400 . 1 . . . . 35 VAL CA . 6761 1 398 . 1 1 35 35 VAL CB C 13 30.975 0.400 . 1 . . . . 35 VAL CB . 6761 1 399 . 1 1 35 35 VAL CG1 C 13 21.969 0.400 . 1 . . . . 35 VAL CG1 . 6761 1 400 . 1 1 35 35 VAL CG2 C 13 21.882 0.400 . 1 . . . . 35 VAL CG2 . 6761 1 401 . 1 1 35 35 VAL N N 15 119.836 0.400 . 1 . . . . 35 VAL N . 6761 1 402 . 1 1 36 36 LEU H H 1 7.443 0.020 . 1 . . . . 36 LEU H . 6761 1 403 . 1 1 36 36 LEU HA H 1 4.065 0.020 . 1 . . . . 36 LEU HA . 6761 1 404 . 1 1 36 36 LEU HB2 H 1 1.413 0.020 . 1 . . . . 36 LEU HB2 . 6761 1 405 . 1 1 36 36 LEU HB3 H 1 2.348 0.020 . 1 . . . . 36 LEU HB3 . 6761 1 406 . 1 1 36 36 LEU HG H 1 1.572 0.020 . 1 . . . . 36 LEU HG . 6761 1 407 . 1 1 36 36 LEU HD11 H 1 1.160 0.020 . 2 . . . . 36 LEU HD1 . 6761 1 408 . 1 1 36 36 LEU HD12 H 1 1.160 0.020 . 2 . . . . 36 LEU HD1 . 6761 1 409 . 1 1 36 36 LEU HD13 H 1 1.160 0.020 . 2 . . . . 36 LEU HD1 . 6761 1 410 . 1 1 36 36 LEU HD21 H 1 0.848 0.020 . 2 . . . . 36 LEU HD2 . 6761 1 411 . 1 1 36 36 LEU HD22 H 1 0.848 0.020 . 2 . . . . 36 LEU HD2 . 6761 1 412 . 1 1 36 36 LEU HD23 H 1 0.848 0.020 . 2 . . . . 36 LEU HD2 . 6761 1 413 . 1 1 36 36 LEU C C 13 178.718 0.400 . 1 . . . . 36 LEU C . 6761 1 414 . 1 1 36 36 LEU CA C 13 58.506 0.400 . 1 . . . . 36 LEU CA . 6761 1 415 . 1 1 36 36 LEU CB C 13 42.055 0.400 . 1 . . . . 36 LEU CB . 6761 1 416 . 1 1 36 36 LEU CD1 C 13 27.393 0.400 . 1 . . . . 36 LEU CD1 . 6761 1 417 . 1 1 36 36 LEU CD2 C 13 23.748 0.400 . 1 . . . . 36 LEU CD2 . 6761 1 418 . 1 1 36 36 LEU N N 15 121.858 0.400 . 1 . . . . 36 LEU N . 6761 1 419 . 1 1 37 37 GLU H H 1 9.174 0.020 . 1 . . . . 37 GLU H . 6761 1 420 . 1 1 37 37 GLU HA H 1 3.755 0.020 . 1 . . . . 37 GLU HA . 6761 1 421 . 1 1 37 37 GLU HB2 H 1 2.046 0.020 . 2 . . . . 37 GLU HB2 . 6761 1 422 . 1 1 37 37 GLU HB3 H 1 2.211 0.020 . 2 . . . . 37 GLU HB3 . 6761 1 423 . 1 1 37 37 GLU HG2 H 1 2.588 0.020 . 2 . . . . 37 GLU HG2 . 6761 1 424 . 1 1 37 37 GLU HG3 H 1 2.092 0.020 . 2 . . . . 37 GLU HG3 . 6761 1 425 . 1 1 37 37 GLU C C 13 179.127 0.400 . 1 . . . . 37 GLU C . 6761 1 426 . 1 1 37 37 GLU CA C 13 61.106 0.400 . 1 . . . . 37 GLU CA . 6761 1 427 . 1 1 37 37 GLU CB C 13 29.930 0.400 . 1 . . . . 37 GLU CB . 6761 1 428 . 1 1 37 37 GLU CG C 13 37.335 0.400 . 1 . . . . 37 GLU CG . 6761 1 429 . 1 1 37 37 GLU N N 15 119.524 0.400 . 1 . . . . 37 GLU N . 6761 1 430 . 1 1 38 38 ASP H H 1 8.555 0.020 . 1 . . . . 38 ASP H . 6761 1 431 . 1 1 38 38 ASP HA H 1 4.363 0.020 . 1 . . . . 38 ASP HA . 6761 1 432 . 1 1 38 38 ASP HB2 H 1 2.928 0.020 . 2 . . . . 38 ASP HB2 . 6761 1 433 . 1 1 38 38 ASP HB3 H 1 2.735 0.020 . 2 . . . . 38 ASP HB3 . 6761 1 434 . 1 1 38 38 ASP C C 13 178.498 0.400 . 1 . . . . 38 ASP C . 6761 1 435 . 1 1 38 38 ASP CA C 13 58.177 0.400 . 1 . . . . 38 ASP CA . 6761 1 436 . 1 1 38 38 ASP CB C 13 42.241 0.400 . 1 . . . . 38 ASP CB . 6761 1 437 . 1 1 38 38 ASP N N 15 119.660 0.400 . 1 . . . . 38 ASP N . 6761 1 438 . 1 1 39 39 THR H H 1 7.517 0.020 . 1 . . . . 39 THR H . 6761 1 439 . 1 1 39 39 THR HA H 1 3.434 0.020 . 1 . . . . 39 THR HA . 6761 1 440 . 1 1 39 39 THR HB H 1 4.256 0.020 . 1 . . . . 39 THR HB . 6761 1 441 . 1 1 39 39 THR HG21 H 1 1.008 0.020 . 1 . . . . 39 THR HG2 . 6761 1 442 . 1 1 39 39 THR HG22 H 1 1.008 0.020 . 1 . . . . 39 THR HG2 . 6761 1 443 . 1 1 39 39 THR HG23 H 1 1.008 0.020 . 1 . . . . 39 THR HG2 . 6761 1 444 . 1 1 39 39 THR C C 13 176.874 0.400 . 1 . . . . 39 THR C . 6761 1 445 . 1 1 39 39 THR CA C 13 67.383 0.400 . 1 . . . . 39 THR CA . 6761 1 446 . 1 1 39 39 THR CB C 13 68.509 0.400 . 1 . . . . 39 THR CB . 6761 1 447 . 1 1 39 39 THR CG2 C 13 21.899 0.400 . 1 . . . . 39 THR CG2 . 6761 1 448 . 1 1 39 39 THR N N 15 114.019 0.400 . 1 . . . . 39 THR N . 6761 1 449 . 1 1 40 40 CYS H H 1 8.410 0.020 . 1 . . . . 40 CYS H . 6761 1 450 . 1 1 40 40 CYS HA H 1 3.963 0.020 . 1 . . . . 40 CYS HA . 6761 1 451 . 1 1 40 40 CYS HB2 H 1 3.012 0.020 . 1 . . . . 40 CYS HB2 . 6761 1 452 . 1 1 40 40 CYS HB3 H 1 3.353 0.020 . 1 . . . . 40 CYS HB3 . 6761 1 453 . 1 1 40 40 CYS C C 13 176.846 0.400 . 1 . . . . 40 CYS C . 6761 1 454 . 1 1 40 40 CYS CA C 13 65.721 0.400 . 1 . . . . 40 CYS CA . 6761 1 455 . 1 1 40 40 CYS CB C 13 26.867 0.400 . 1 . . . . 40 CYS CB . 6761 1 456 . 1 1 40 40 CYS N N 15 118.314 0.400 . 1 . . . . 40 CYS N . 6761 1 457 . 1 1 41 41 ARG H H 1 8.288 0.020 . 1 . . . . 41 ARG H . 6761 1 458 . 1 1 41 41 ARG HA H 1 4.247 0.020 . 1 . . . . 41 ARG HA . 6761 1 459 . 1 1 41 41 ARG HB2 H 1 1.932 0.020 . 1 . . . . 41 ARG HB2 . 6761 1 460 . 1 1 41 41 ARG HB3 H 1 2.039 0.020 . 1 . . . . 41 ARG HB3 . 6761 1 461 . 1 1 41 41 ARG HG2 H 1 1.820 0.020 . 2 . . . . 41 ARG HG2 . 6761 1 462 . 1 1 41 41 ARG HG3 H 1 1.711 0.020 . 2 . . . . 41 ARG HG3 . 6761 1 463 . 1 1 41 41 ARG HD2 H 1 3.245 0.020 . 2 . . . . 41 ARG HD2 . 6761 1 464 . 1 1 41 41 ARG HD3 H 1 3.300 0.020 . 2 . . . . 41 ARG HD3 . 6761 1 465 . 1 1 41 41 ARG C C 13 178.672 0.400 . 1 . . . . 41 ARG C . 6761 1 466 . 1 1 41 41 ARG CA C 13 58.969 0.400 . 1 . . . . 41 ARG CA . 6761 1 467 . 1 1 41 41 ARG CB C 13 30.176 0.400 . 1 . . . . 41 ARG CB . 6761 1 468 . 1 1 41 41 ARG CG C 13 28.041 0.400 . 1 . . . . 41 ARG CG . 6761 1 469 . 1 1 41 41 ARG CD C 13 43.394 0.400 . 1 . . . . 41 ARG CD . 6761 1 470 . 1 1 41 41 ARG N N 15 119.515 0.400 . 1 . . . . 41 ARG N . 6761 1 471 . 1 1 42 42 ARG H H 1 7.533 0.020 . 1 . . . . 42 ARG H . 6761 1 472 . 1 1 42 42 ARG HA H 1 4.171 0.020 . 1 . . . . 42 ARG HA . 6761 1 473 . 1 1 42 42 ARG HB2 H 1 1.729 0.020 . 2 . . . . 42 ARG HB2 . 6761 1 474 . 1 1 42 42 ARG HB3 H 1 1.606 0.020 . 2 . . . . 42 ARG HB3 . 6761 1 475 . 1 1 42 42 ARG HG2 H 1 1.712 0.020 . 2 . . . . 42 ARG HG2 . 6761 1 476 . 1 1 42 42 ARG HG3 H 1 1.620 0.020 . 2 . . . . 42 ARG HG3 . 6761 1 477 . 1 1 42 42 ARG HD2 H 1 3.178 0.020 . 2 . . . . 42 ARG HD2 . 6761 1 478 . 1 1 42 42 ARG HD3 H 1 3.044 0.020 . 2 . . . . 42 ARG HD3 . 6761 1 479 . 1 1 42 42 ARG C C 13 177.534 0.400 . 1 . . . . 42 ARG C . 6761 1 480 . 1 1 42 42 ARG CA C 13 57.406 0.400 . 1 . . . . 42 ARG CA . 6761 1 481 . 1 1 42 42 ARG CB C 13 29.949 0.400 . 1 . . . . 42 ARG CB . 6761 1 482 . 1 1 42 42 ARG CG C 13 27.137 0.400 . 1 . . . . 42 ARG CG . 6761 1 483 . 1 1 42 42 ARG CD C 13 42.658 0.400 . 1 . . . . 42 ARG CD . 6761 1 484 . 1 1 42 42 ARG N N 15 116.631 0.400 . 1 . . . . 42 ARG N . 6761 1 485 . 1 1 43 43 GLN H H 1 7.639 0.020 . 1 . . . . 43 GLN H . 6761 1 486 . 1 1 43 43 GLN HA H 1 4.364 0.020 . 1 . . . . 43 GLN HA . 6761 1 487 . 1 1 43 43 GLN HB2 H 1 1.520 0.020 . 1 . . . . 43 GLN HB2 . 6761 1 488 . 1 1 43 43 GLN HB3 H 1 2.243 0.020 . 1 . . . . 43 GLN HB3 . 6761 1 489 . 1 1 43 43 GLN HG2 H 1 2.099 0.020 . 2 . . . . 43 GLN HG2 . 6761 1 490 . 1 1 43 43 GLN HG3 H 1 2.043 0.020 . 2 . . . . 43 GLN HG3 . 6761 1 491 . 1 1 43 43 GLN C C 13 173.422 0.400 . 1 . . . . 43 GLN C . 6761 1 492 . 1 1 43 43 GLN CA C 13 54.577 0.400 . 1 . . . . 43 GLN CA . 6761 1 493 . 1 1 43 43 GLN CB C 13 29.176 0.400 . 1 . . . . 43 GLN CB . 6761 1 494 . 1 1 43 43 GLN CG C 13 33.341 0.400 . 1 . . . . 43 GLN CG . 6761 1 495 . 1 1 43 43 GLN N N 15 114.040 0.400 . 1 . . . . 43 GLN N . 6761 1 496 . 1 1 44 44 ASP H H 1 7.578 0.020 . 1 . . . . 44 ASP H . 6761 1 497 . 1 1 44 44 ASP HA H 1 4.284 0.020 . 1 . . . . 44 ASP HA . 6761 1 498 . 1 1 44 44 ASP HB2 H 1 2.919 0.020 . 1 . . . . 44 ASP HB2 . 6761 1 499 . 1 1 44 44 ASP HB3 H 1 2.378 0.020 . 1 . . . . 44 ASP HB3 . 6761 1 500 . 1 1 44 44 ASP C C 13 174.092 0.400 . 1 . . . . 44 ASP C . 6761 1 501 . 1 1 44 44 ASP CA C 13 55.414 0.400 . 1 . . . . 44 ASP CA . 6761 1 502 . 1 1 44 44 ASP CB C 13 38.825 0.400 . 1 . . . . 44 ASP CB . 6761 1 503 . 1 1 44 44 ASP N N 15 116.827 0.400 . 1 . . . . 44 ASP N . 6761 1 504 . 1 1 45 45 PHE H H 1 8.009 0.020 . 1 . . . . 45 PHE H . 6761 1 505 . 1 1 45 45 PHE HA H 1 4.810 0.020 . 1 . . . . 45 PHE HA . 6761 1 506 . 1 1 45 45 PHE HB2 H 1 2.463 0.020 . 1 . . . . 45 PHE HB2 . 6761 1 507 . 1 1 45 45 PHE HB3 H 1 3.057 0.020 . 1 . . . . 45 PHE HB3 . 6761 1 508 . 1 1 45 45 PHE HD1 H 1 7.051 0.020 . 1 . . . . 45 PHE HD1 . 6761 1 509 . 1 1 45 45 PHE HD2 H 1 7.051 0.020 . 1 . . . . 45 PHE HD2 . 6761 1 510 . 1 1 45 45 PHE HE1 H 1 7.215 0.020 . 1 . . . . 45 PHE HE1 . 6761 1 511 . 1 1 45 45 PHE HE2 H 1 7.215 0.020 . 1 . . . . 45 PHE HE2 . 6761 1 512 . 1 1 45 45 PHE C C 13 174.579 0.400 . 1 . . . . 45 PHE C . 6761 1 513 . 1 1 45 45 PHE CA C 13 56.461 0.400 . 1 . . . . 45 PHE CA . 6761 1 514 . 1 1 45 45 PHE CB C 13 43.873 0.400 . 1 . . . . 45 PHE CB . 6761 1 515 . 1 1 45 45 PHE CD1 C 13 131.524 0.400 . 1 . . . . 45 PHE CD1 . 6761 1 516 . 1 1 45 45 PHE CE1 C 13 131.293 0.400 . 1 . . . . 45 PHE CE1 . 6761 1 517 . 1 1 45 45 PHE N N 15 116.027 0.400 . 1 . . . . 45 PHE N . 6761 1 518 . 1 1 46 46 ASN H H 1 9.184 0.020 . 1 . . . . 46 ASN H . 6761 1 519 . 1 1 46 46 ASN HA H 1 5.192 0.020 . 1 . . . . 46 ASN HA . 6761 1 520 . 1 1 46 46 ASN HB2 H 1 2.880 0.020 . 2 . . . . 46 ASN HB2 . 6761 1 521 . 1 1 46 46 ASN HB3 H 1 3.143 0.020 . 2 . . . . 46 ASN HB3 . 6761 1 522 . 1 1 46 46 ASN C C 13 175.060 0.400 . 1 . . . . 46 ASN C . 6761 1 523 . 1 1 46 46 ASN CA C 13 50.055 0.400 . 1 . . . . 46 ASN CA . 6761 1 524 . 1 1 46 46 ASN CB C 13 39.253 0.400 . 1 . . . . 46 ASN CB . 6761 1 525 . 1 1 46 46 ASN N N 15 121.804 0.400 . 1 . . . . 46 ASN N . 6761 1 526 . 1 1 47 47 PRO HA H 1 4.635 0.020 . 1 . . . . 47 PRO HA . 6761 1 527 . 1 1 47 47 PRO HB2 H 1 2.177 0.020 . 1 . . . . 47 PRO HB2 . 6761 1 528 . 1 1 47 47 PRO HB3 H 1 2.177 0.020 . 1 . . . . 47 PRO HB3 . 6761 1 529 . 1 1 47 47 PRO HG2 H 1 2.266 0.020 . 1 . . . . 47 PRO HG2 . 6761 1 530 . 1 1 47 47 PRO HG3 H 1 2.164 0.020 . 1 . . . . 47 PRO HG3 . 6761 1 531 . 1 1 47 47 PRO HD2 H 1 4.220 0.020 . 1 . . . . 47 PRO HD2 . 6761 1 532 . 1 1 47 47 PRO HD3 H 1 4.030 0.020 . 1 . . . . 47 PRO HD3 . 6761 1 533 . 1 1 47 47 PRO C C 13 177.618 0.400 . 1 . . . . 47 PRO C . 6761 1 534 . 1 1 47 47 PRO CA C 13 65.688 0.400 . 1 . . . . 47 PRO CA . 6761 1 535 . 1 1 47 47 PRO CB C 13 32.168 0.400 . 1 . . . . 47 PRO CB . 6761 1 536 . 1 1 47 47 PRO CG C 13 27.464 0.400 . 1 . . . . 47 PRO CG . 6761 1 537 . 1 1 47 47 PRO CD C 13 51.138 0.400 . 1 . . . . 47 PRO CD . 6761 1 538 . 1 1 48 48 SER H H 1 7.871 0.020 . 1 . . . . 48 SER H . 6761 1 539 . 1 1 48 48 SER HA H 1 4.300 0.020 . 1 . . . . 48 SER HA . 6761 1 540 . 1 1 48 48 SER HB2 H 1 3.899 0.020 . 2 . . . . 48 SER HB2 . 6761 1 541 . 1 1 48 48 SER HB3 H 1 3.950 0.020 . 2 . . . . 48 SER HB3 . 6761 1 542 . 1 1 48 48 SER C C 13 175.335 0.400 . 1 . . . . 48 SER C . 6761 1 543 . 1 1 48 48 SER CA C 13 60.663 0.400 . 1 . . . . 48 SER CA . 6761 1 544 . 1 1 48 48 SER CB C 13 63.202 0.400 . 1 . . . . 48 SER CB . 6761 1 545 . 1 1 48 48 SER N N 15 110.572 0.400 . 1 . . . . 48 SER N . 6761 1 546 . 1 1 49 49 GLU H H 1 7.735 0.020 . 1 . . . . 49 GLU H . 6761 1 547 . 1 1 49 49 GLU HA H 1 4.112 0.020 . 1 . . . . 49 GLU HA . 6761 1 548 . 1 1 49 49 GLU HB2 H 1 1.991 0.020 . 1 . . . . 49 GLU HB2 . 6761 1 549 . 1 1 49 49 GLU HB3 H 1 1.862 0.020 . 1 . . . . 49 GLU HB3 . 6761 1 550 . 1 1 49 49 GLU HG2 H 1 2.129 0.020 . 1 . . . . 49 GLU HG2 . 6761 1 551 . 1 1 49 49 GLU HG3 H 1 2.129 0.020 . 1 . . . . 49 GLU HG3 . 6761 1 552 . 1 1 49 49 GLU C C 13 176.010 0.400 . 1 . . . . 49 GLU C . 6761 1 553 . 1 1 49 49 GLU CA C 13 56.169 0.400 . 1 . . . . 49 GLU CA . 6761 1 554 . 1 1 49 49 GLU CB C 13 30.437 0.400 . 1 . . . . 49 GLU CB . 6761 1 555 . 1 1 49 49 GLU CG C 13 37.201 0.400 . 1 . . . . 49 GLU CG . 6761 1 556 . 1 1 49 49 GLU N N 15 117.918 0.400 . 1 . . . . 49 GLU N . 6761 1 557 . 1 1 50 50 TYR H H 1 7.558 0.020 . 1 . . . . 50 TYR H . 6761 1 558 . 1 1 50 50 TYR HA H 1 4.999 0.020 . 1 . . . . 50 TYR HA . 6761 1 559 . 1 1 50 50 TYR HB2 H 1 2.348 0.020 . 1 . . . . 50 TYR HB2 . 6761 1 560 . 1 1 50 50 TYR HB3 H 1 2.972 0.020 . 1 . . . . 50 TYR HB3 . 6761 1 561 . 1 1 50 50 TYR HD1 H 1 6.893 0.020 . 1 . . . . 50 TYR HD1 . 6761 1 562 . 1 1 50 50 TYR HD2 H 1 6.893 0.020 . 1 . . . . 50 TYR HD2 . 6761 1 563 . 1 1 50 50 TYR HE1 H 1 6.757 0.020 . 1 . . . . 50 TYR HE1 . 6761 1 564 . 1 1 50 50 TYR HE2 H 1 6.757 0.020 . 1 . . . . 50 TYR HE2 . 6761 1 565 . 1 1 50 50 TYR C C 13 172.409 0.400 . 1 . . . . 50 TYR C . 6761 1 566 . 1 1 50 50 TYR CA C 13 58.893 0.400 . 1 . . . . 50 TYR CA . 6761 1 567 . 1 1 50 50 TYR CB C 13 44.186 0.400 . 1 . . . . 50 TYR CB . 6761 1 568 . 1 1 50 50 TYR CD1 C 13 133.121 0.400 . 1 . . . . 50 TYR CD1 . 6761 1 569 . 1 1 50 50 TYR CE1 C 13 118.119 0.400 . 1 . . . . 50 TYR CE1 . 6761 1 570 . 1 1 50 50 TYR N N 15 118.290 0.400 . 1 . . . . 50 TYR N . 6761 1 571 . 1 1 51 51 ASP H H 1 9.132 0.020 . 1 . . . . 51 ASP H . 6761 1 572 . 1 1 51 51 ASP HA H 1 5.085 0.020 . 1 . . . . 51 ASP HA . 6761 1 573 . 1 1 51 51 ASP HB2 H 1 2.273 0.020 . 1 . . . . 51 ASP HB2 . 6761 1 574 . 1 1 51 51 ASP HB3 H 1 2.777 0.020 . 1 . . . . 51 ASP HB3 . 6761 1 575 . 1 1 51 51 ASP C C 13 177.020 0.400 . 1 . . . . 51 ASP C . 6761 1 576 . 1 1 51 51 ASP CA C 13 53.029 0.400 . 1 . . . . 51 ASP CA . 6761 1 577 . 1 1 51 51 ASP CB C 13 46.551 0.400 . 1 . . . . 51 ASP CB . 6761 1 578 . 1 1 51 51 ASP N N 15 119.212 0.400 . 1 . . . . 51 ASP N . 6761 1 579 . 1 1 52 52 LEU H H 1 9.653 0.020 . 1 . . . . 52 LEU H . 6761 1 580 . 1 1 52 52 LEU HA H 1 5.220 0.020 . 1 . . . . 52 LEU HA . 6761 1 581 . 1 1 52 52 LEU HB2 H 1 1.734 0.020 . 1 . . . . 52 LEU HB2 . 6761 1 582 . 1 1 52 52 LEU HB3 H 1 1.275 0.020 . 1 . . . . 52 LEU HB3 . 6761 1 583 . 1 1 52 52 LEU HG H 1 1.686 0.020 . 1 . . . . 52 LEU HG . 6761 1 584 . 1 1 52 52 LEU HD11 H 1 0.776 0.020 . 2 . . . . 52 LEU HD1 . 6761 1 585 . 1 1 52 52 LEU HD12 H 1 0.776 0.020 . 2 . . . . 52 LEU HD1 . 6761 1 586 . 1 1 52 52 LEU HD13 H 1 0.776 0.020 . 2 . . . . 52 LEU HD1 . 6761 1 587 . 1 1 52 52 LEU HD21 H 1 0.776 0.020 . 2 . . . . 52 LEU HD2 . 6761 1 588 . 1 1 52 52 LEU HD22 H 1 0.776 0.020 . 2 . . . . 52 LEU HD2 . 6761 1 589 . 1 1 52 52 LEU HD23 H 1 0.776 0.020 . 2 . . . . 52 LEU HD2 . 6761 1 590 . 1 1 52 52 LEU C C 13 175.072 0.400 . 1 . . . . 52 LEU C . 6761 1 591 . 1 1 52 52 LEU CA C 13 53.488 0.400 . 1 . . . . 52 LEU CA . 6761 1 592 . 1 1 52 52 LEU CB C 13 46.619 0.400 . 1 . . . . 52 LEU CB . 6761 1 593 . 1 1 52 52 LEU CG C 13 26.481 0.400 . 1 . . . . 52 LEU CG . 6761 1 594 . 1 1 52 52 LEU CD1 C 13 25.372 0.400 . 1 . . . . 52 LEU CD1 . 6761 1 595 . 1 1 52 52 LEU N N 15 116.740 0.400 . 1 . . . . 52 LEU N . 6761 1 596 . 1 1 53 53 LYS H H 1 9.156 0.020 . 1 . . . . 53 LYS H . 6761 1 597 . 1 1 53 53 LYS HA H 1 5.274 0.020 . 1 . . . . 53 LYS HA . 6761 1 598 . 1 1 53 53 LYS HB2 H 1 1.474 0.020 . 1 . . . . 53 LYS HB2 . 6761 1 599 . 1 1 53 53 LYS HB3 H 1 1.690 0.020 . 1 . . . . 53 LYS HB3 . 6761 1 600 . 1 1 53 53 LYS HG2 H 1 1.158 0.020 . 1 . . . . 53 LYS HG2 . 6761 1 601 . 1 1 53 53 LYS HG3 H 1 1.158 0.020 . 1 . . . . 53 LYS HG3 . 6761 1 602 . 1 1 53 53 LYS HD2 H 1 1.571 0.020 . 1 . . . . 53 LYS HD2 . 6761 1 603 . 1 1 53 53 LYS HD3 H 1 1.571 0.020 . 1 . . . . 53 LYS HD3 . 6761 1 604 . 1 1 53 53 LYS HE2 H 1 2.889 0.020 . 1 . . . . 53 LYS HE2 . 6761 1 605 . 1 1 53 53 LYS HE3 H 1 2.717 0.020 . 1 . . . . 53 LYS HE3 . 6761 1 606 . 1 1 53 53 LYS C C 13 175.156 0.400 . 1 . . . . 53 LYS C . 6761 1 607 . 1 1 53 53 LYS CA C 13 54.627 0.400 . 1 . . . . 53 LYS CA . 6761 1 608 . 1 1 53 53 LYS CB C 13 37.510 0.400 . 1 . . . . 53 LYS CB . 6761 1 609 . 1 1 53 53 LYS CG C 13 25.319 0.400 . 1 . . . . 53 LYS CG . 6761 1 610 . 1 1 53 53 LYS CD C 13 30.254 0.400 . 1 . . . . 53 LYS CD . 6761 1 611 . 1 1 53 53 LYS CE C 13 41.760 0.400 . 1 . . . . 53 LYS CE . 6761 1 612 . 1 1 53 53 LYS N N 15 121.471 0.400 . 1 . . . . 53 LYS N . 6761 1 613 . 1 1 54 54 PHE H H 1 8.612 0.020 . 1 . . . . 54 PHE H . 6761 1 614 . 1 1 54 54 PHE HA H 1 5.120 0.020 . 1 . . . . 54 PHE HA . 6761 1 615 . 1 1 54 54 PHE HB2 H 1 2.834 0.020 . 2 . . . . 54 PHE HB2 . 6761 1 616 . 1 1 54 54 PHE HB3 H 1 2.980 0.020 . 2 . . . . 54 PHE HB3 . 6761 1 617 . 1 1 54 54 PHE HD1 H 1 7.403 0.020 . 1 . . . . 54 PHE HD1 . 6761 1 618 . 1 1 54 54 PHE HD2 H 1 7.403 0.020 . 1 . . . . 54 PHE HD2 . 6761 1 619 . 1 1 54 54 PHE HE1 H 1 7.188 0.020 . 1 . . . . 54 PHE HE1 . 6761 1 620 . 1 1 54 54 PHE HE2 H 1 7.188 0.020 . 1 . . . . 54 PHE HE2 . 6761 1 621 . 1 1 54 54 PHE C C 13 174.623 0.400 . 1 . . . . 54 PHE C . 6761 1 622 . 1 1 54 54 PHE CA C 13 56.002 0.400 . 1 . . . . 54 PHE CA . 6761 1 623 . 1 1 54 54 PHE CB C 13 42.573 0.400 . 1 . . . . 54 PHE CB . 6761 1 624 . 1 1 54 54 PHE CD1 C 13 132.466 0.400 . 1 . . . . 54 PHE CD1 . 6761 1 625 . 1 1 54 54 PHE CE1 C 13 133.379 0.400 . 1 . . . . 54 PHE CE1 . 6761 1 626 . 1 1 54 54 PHE N N 15 123.177 0.400 . 1 . . . . 54 PHE N . 6761 1 627 . 1 1 55 55 GLN H H 1 9.246 0.020 . 1 . . . . 55 GLN H . 6761 1 628 . 1 1 55 55 GLN HA H 1 3.504 0.020 . 1 . . . . 55 GLN HA . 6761 1 629 . 1 1 55 55 GLN HB2 H 1 1.956 0.020 . 2 . . . . 55 GLN HB2 . 6761 1 630 . 1 1 55 55 GLN HB3 H 1 1.744 0.020 . 2 . . . . 55 GLN HB3 . 6761 1 631 . 1 1 55 55 GLN HG2 H 1 1.623 0.020 . 2 . . . . 55 GLN HG2 . 6761 1 632 . 1 1 55 55 GLN HG3 H 1 1.041 0.020 . 2 . . . . 55 GLN HG3 . 6761 1 633 . 1 1 55 55 GLN C C 13 175.379 0.400 . 1 . . . . 55 GLN C . 6761 1 634 . 1 1 55 55 GLN CA C 13 58.182 0.400 . 1 . . . . 55 GLN CA . 6761 1 635 . 1 1 55 55 GLN CB C 13 25.383 0.400 . 1 . . . . 55 GLN CB . 6761 1 636 . 1 1 55 55 GLN CG C 13 33.514 0.400 . 1 . . . . 55 GLN CG . 6761 1 637 . 1 1 55 55 GLN N N 15 125.119 0.400 . 1 . . . . 55 GLN N . 6761 1 638 . 1 1 56 56 ARG H H 1 8.309 0.020 . 1 . . . . 56 ARG H . 6761 1 639 . 1 1 56 56 ARG HA H 1 4.332 0.020 . 1 . . . . 56 ARG HA . 6761 1 640 . 1 1 56 56 ARG HB2 H 1 1.848 0.020 . 1 . . . . 56 ARG HB2 . 6761 1 641 . 1 1 56 56 ARG HB3 H 1 2.113 0.020 . 1 . . . . 56 ARG HB3 . 6761 1 642 . 1 1 56 56 ARG HG2 H 1 1.587 0.020 . 1 . . . . 56 ARG HG2 . 6761 1 643 . 1 1 56 56 ARG HG3 H 1 1.587 0.020 . 1 . . . . 56 ARG HG3 . 6761 1 644 . 1 1 56 56 ARG HD2 H 1 3.182 0.020 . 1 . . . . 56 ARG HD2 . 6761 1 645 . 1 1 56 56 ARG HD3 H 1 3.182 0.020 . 1 . . . . 56 ARG HD3 . 6761 1 646 . 1 1 56 56 ARG C C 13 176.374 0.400 . 1 . . . . 56 ARG C . 6761 1 647 . 1 1 56 56 ARG CA C 13 56.695 0.400 . 1 . . . . 56 ARG CA . 6761 1 648 . 1 1 56 56 ARG CB C 13 30.150 0.400 . 1 . . . . 56 ARG CB . 6761 1 649 . 1 1 56 56 ARG CG C 13 27.603 0.400 . 1 . . . . 56 ARG CG . 6761 1 650 . 1 1 56 56 ARG CD C 13 43.396 0.400 . 1 . . . . 56 ARG CD . 6761 1 651 . 1 1 56 56 ARG N N 15 118.518 0.400 . 1 . . . . 56 ARG N . 6761 1 652 . 1 1 57 57 THR H H 1 8.435 0.020 . 1 . . . . 57 THR H . 6761 1 653 . 1 1 57 57 THR HA H 1 4.483 0.020 . 1 . . . . 57 THR HA . 6761 1 654 . 1 1 57 57 THR HB H 1 4.306 0.020 . 1 . . . . 57 THR HB . 6761 1 655 . 1 1 57 57 THR HG21 H 1 1.260 0.020 . 1 . . . . 57 THR HG2 . 6761 1 656 . 1 1 57 57 THR HG22 H 1 1.260 0.020 . 1 . . . . 57 THR HG2 . 6761 1 657 . 1 1 57 57 THR HG23 H 1 1.260 0.020 . 1 . . . . 57 THR HG2 . 6761 1 658 . 1 1 57 57 THR C C 13 173.423 0.400 . 1 . . . . 57 THR C . 6761 1 659 . 1 1 57 57 THR CA C 13 62.426 0.400 . 1 . . . . 57 THR CA . 6761 1 660 . 1 1 57 57 THR CB C 13 71.158 0.400 . 1 . . . . 57 THR CB . 6761 1 661 . 1 1 57 57 THR CG2 C 13 21.675 0.400 . 1 . . . . 57 THR CG2 . 6761 1 662 . 1 1 57 57 THR N N 15 118.192 0.400 . 1 . . . . 57 THR N . 6761 1 663 . 1 1 58 58 VAL H H 1 8.726 0.020 . 1 . . . . 58 VAL H . 6761 1 664 . 1 1 58 58 VAL HA H 1 4.159 0.020 . 1 . . . . 58 VAL HA . 6761 1 665 . 1 1 58 58 VAL HB H 1 1.995 0.020 . 1 . . . . 58 VAL HB . 6761 1 666 . 1 1 58 58 VAL HG11 H 1 0.945 0.020 . 2 . . . . 58 VAL HG1 . 6761 1 667 . 1 1 58 58 VAL HG12 H 1 0.945 0.020 . 2 . . . . 58 VAL HG1 . 6761 1 668 . 1 1 58 58 VAL HG13 H 1 0.945 0.020 . 2 . . . . 58 VAL HG1 . 6761 1 669 . 1 1 58 58 VAL HG21 H 1 0.945 0.020 . 2 . . . . 58 VAL HG2 . 6761 1 670 . 1 1 58 58 VAL HG22 H 1 0.945 0.020 . 2 . . . . 58 VAL HG2 . 6761 1 671 . 1 1 58 58 VAL HG23 H 1 0.945 0.020 . 2 . . . . 58 VAL HG2 . 6761 1 672 . 1 1 58 58 VAL C C 13 176.315 0.400 . 1 . . . . 58 VAL C . 6761 1 673 . 1 1 58 58 VAL CA C 13 63.653 0.400 . 1 . . . . 58 VAL CA . 6761 1 674 . 1 1 58 58 VAL CB C 13 31.590 0.400 . 1 . . . . 58 VAL CB . 6761 1 675 . 1 1 58 58 VAL CG1 C 13 21.986 0.400 . 1 . . . . 58 VAL CG1 . 6761 1 676 . 1 1 58 58 VAL N N 15 128.077 0.400 . 1 . . . . 58 VAL N . 6761 1 677 . 1 1 59 59 LEU H H 1 8.685 0.020 . 1 . . . . 59 LEU H . 6761 1 678 . 1 1 59 59 LEU HA H 1 4.366 0.020 . 1 . . . . 59 LEU HA . 6761 1 679 . 1 1 59 59 LEU HB2 H 1 1.649 0.020 . 1 . . . . 59 LEU HB2 . 6761 1 680 . 1 1 59 59 LEU HB3 H 1 1.221 0.020 . 1 . . . . 59 LEU HB3 . 6761 1 681 . 1 1 59 59 LEU HG H 1 1.779 0.020 . 1 . . . . 59 LEU HG . 6761 1 682 . 1 1 59 59 LEU HD11 H 1 0.938 0.020 . 2 . . . . 59 LEU HD1 . 6761 1 683 . 1 1 59 59 LEU HD12 H 1 0.938 0.020 . 2 . . . . 59 LEU HD1 . 6761 1 684 . 1 1 59 59 LEU HD13 H 1 0.938 0.020 . 2 . . . . 59 LEU HD1 . 6761 1 685 . 1 1 59 59 LEU HD21 H 1 0.865 0.020 . 2 . . . . 59 LEU HD2 . 6761 1 686 . 1 1 59 59 LEU HD22 H 1 0.865 0.020 . 2 . . . . 59 LEU HD2 . 6761 1 687 . 1 1 59 59 LEU HD23 H 1 0.865 0.020 . 2 . . . . 59 LEU HD2 . 6761 1 688 . 1 1 59 59 LEU C C 13 176.541 0.400 . 1 . . . . 59 LEU C . 6761 1 689 . 1 1 59 59 LEU CA C 13 54.710 0.400 . 1 . . . . 59 LEU CA . 6761 1 690 . 1 1 59 59 LEU CB C 13 43.217 0.400 . 1 . . . . 59 LEU CB . 6761 1 691 . 1 1 59 59 LEU CG C 13 27.154 0.400 . 1 . . . . 59 LEU CG . 6761 1 692 . 1 1 59 59 LEU CD1 C 13 22.980 0.400 . 1 . . . . 59 LEU CD1 . 6761 1 693 . 1 1 59 59 LEU CD2 C 13 22.954 0.400 . 1 . . . . 59 LEU CD2 . 6761 1 694 . 1 1 59 59 LEU N N 15 128.546 0.400 . 1 . . . . 59 LEU N . 6761 1 695 . 1 1 60 60 ASP H H 1 8.328 0.020 . 1 . . . . 60 ASP H . 6761 1 696 . 1 1 60 60 ASP HA H 1 4.595 0.020 . 1 . . . . 60 ASP HA . 6761 1 697 . 1 1 60 60 ASP HB2 H 1 2.639 0.020 . 1 . . . . 60 ASP HB2 . 6761 1 698 . 1 1 60 60 ASP HB3 H 1 2.998 0.020 . 1 . . . . 60 ASP HB3 . 6761 1 699 . 1 1 60 60 ASP C C 13 176.481 0.400 . 1 . . . . 60 ASP C . 6761 1 700 . 1 1 60 60 ASP CA C 13 53.142 0.400 . 1 . . . . 60 ASP CA . 6761 1 701 . 1 1 60 60 ASP CB C 13 40.240 0.400 . 1 . . . . 60 ASP CB . 6761 1 702 . 1 1 60 60 ASP N N 15 121.175 0.400 . 1 . . . . 60 ASP N . 6761 1 703 . 1 1 61 61 LEU H H 1 8.459 0.020 . 1 . . . . 61 LEU H . 6761 1 704 . 1 1 61 61 LEU HA H 1 4.126 0.020 . 1 . . . . 61 LEU HA . 6761 1 705 . 1 1 61 61 LEU HB2 H 1 1.914 0.020 . 1 . . . . 61 LEU HB2 . 6761 1 706 . 1 1 61 61 LEU HB3 H 1 1.361 0.020 . 1 . . . . 61 LEU HB3 . 6761 1 707 . 1 1 61 61 LEU HG H 1 2.166 0.020 . 1 . . . . 61 LEU HG . 6761 1 708 . 1 1 61 61 LEU HD11 H 1 0.793 0.020 . 2 . . . . 61 LEU HD1 . 6761 1 709 . 1 1 61 61 LEU HD12 H 1 0.793 0.020 . 2 . . . . 61 LEU HD1 . 6761 1 710 . 1 1 61 61 LEU HD13 H 1 0.793 0.020 . 2 . . . . 61 LEU HD1 . 6761 1 711 . 1 1 61 61 LEU HD21 H 1 1.114 0.020 . 2 . . . . 61 LEU HD2 . 6761 1 712 . 1 1 61 61 LEU HD22 H 1 1.114 0.020 . 2 . . . . 61 LEU HD2 . 6761 1 713 . 1 1 61 61 LEU HD23 H 1 1.114 0.020 . 2 . . . . 61 LEU HD2 . 6761 1 714 . 1 1 61 61 LEU C C 13 176.716 0.400 . 1 . . . . 61 LEU C . 6761 1 715 . 1 1 61 61 LEU CA C 13 56.188 0.400 . 1 . . . . 61 LEU CA . 6761 1 716 . 1 1 61 61 LEU CB C 13 40.810 0.400 . 1 . . . . 61 LEU CB . 6761 1 717 . 1 1 61 61 LEU CG C 13 26.772 0.400 . 1 . . . . 61 LEU CG . 6761 1 718 . 1 1 61 61 LEU CD1 C 13 23.557 0.400 . 1 . . . . 61 LEU CD1 . 6761 1 719 . 1 1 61 61 LEU CD2 C 13 27.223 0.400 . 1 . . . . 61 LEU CD2 . 6761 1 720 . 1 1 61 61 LEU N N 15 124.242 0.400 . 1 . . . . 61 LEU N . 6761 1 721 . 1 1 62 62 SER H H 1 8.690 0.020 . 1 . . . . 62 SER H . 6761 1 722 . 1 1 62 62 SER HA H 1 4.424 0.020 . 1 . . . . 62 SER HA . 6761 1 723 . 1 1 62 62 SER HB2 H 1 4.052 0.020 . 1 . . . . 62 SER HB2 . 6761 1 724 . 1 1 62 62 SER HB3 H 1 3.902 0.020 . 1 . . . . 62 SER HB3 . 6761 1 725 . 1 1 62 62 SER C C 13 175.339 0.400 . 1 . . . . 62 SER C . 6761 1 726 . 1 1 62 62 SER CA C 13 59.432 0.400 . 1 . . . . 62 SER CA . 6761 1 727 . 1 1 62 62 SER CB C 13 64.359 0.400 . 1 . . . . 62 SER CB . 6761 1 728 . 1 1 62 62 SER N N 15 113.065 0.400 . 1 . . . . 62 SER N . 6761 1 729 . 1 1 63 63 LEU H H 1 7.414 0.020 . 1 . . . . 63 LEU H . 6761 1 730 . 1 1 63 63 LEU HA H 1 4.374 0.020 . 1 . . . . 63 LEU HA . 6761 1 731 . 1 1 63 63 LEU HB2 H 1 1.834 0.020 . 1 . . . . 63 LEU HB2 . 6761 1 732 . 1 1 63 63 LEU HB3 H 1 1.357 0.020 . 1 . . . . 63 LEU HB3 . 6761 1 733 . 1 1 63 63 LEU HG H 1 1.753 0.020 . 1 . . . . 63 LEU HG . 6761 1 734 . 1 1 63 63 LEU HD11 H 1 0.861 0.020 . 2 . . . . 63 LEU HD1 . 6761 1 735 . 1 1 63 63 LEU HD12 H 1 0.861 0.020 . 2 . . . . 63 LEU HD1 . 6761 1 736 . 1 1 63 63 LEU HD13 H 1 0.861 0.020 . 2 . . . . 63 LEU HD1 . 6761 1 737 . 1 1 63 63 LEU HD21 H 1 1.046 0.020 . 2 . . . . 63 LEU HD2 . 6761 1 738 . 1 1 63 63 LEU HD22 H 1 1.046 0.020 . 2 . . . . 63 LEU HD2 . 6761 1 739 . 1 1 63 63 LEU HD23 H 1 1.046 0.020 . 2 . . . . 63 LEU HD2 . 6761 1 740 . 1 1 63 63 LEU C C 13 177.578 0.400 . 1 . . . . 63 LEU C . 6761 1 741 . 1 1 63 63 LEU CA C 13 55.257 0.400 . 1 . . . . 63 LEU CA . 6761 1 742 . 1 1 63 63 LEU CB C 13 43.471 0.400 . 1 . . . . 63 LEU CB . 6761 1 743 . 1 1 63 63 LEU CG C 13 26.507 0.400 . 1 . . . . 63 LEU CG . 6761 1 744 . 1 1 63 63 LEU CD1 C 13 22.960 0.400 . 1 . . . . 63 LEU CD1 . 6761 1 745 . 1 1 63 63 LEU CD2 C 13 23.030 0.400 . 1 . . . . 63 LEU CD2 . 6761 1 746 . 1 1 63 63 LEU N N 15 122.593 0.400 . 1 . . . . 63 LEU N . 6761 1 747 . 1 1 64 64 GLN H H 1 8.042 0.020 . 1 . . . . 64 GLN H . 6761 1 748 . 1 1 64 64 GLN HA H 1 4.778 0.020 . 1 . . . . 64 GLN HA . 6761 1 749 . 1 1 64 64 GLN HB2 H 1 1.904 0.020 . 1 . . . . 64 GLN HB2 . 6761 1 750 . 1 1 64 64 GLN HB3 H 1 2.444 0.020 . 1 . . . . 64 GLN HB3 . 6761 1 751 . 1 1 64 64 GLN HG2 H 1 2.710 0.020 . 2 . . . . 64 GLN HG2 . 6761 1 752 . 1 1 64 64 GLN HG3 H 1 2.401 0.020 . 2 . . . . 64 GLN HG3 . 6761 1 753 . 1 1 64 64 GLN C C 13 178.571 0.400 . 1 . . . . 64 GLN C . 6761 1 754 . 1 1 64 64 GLN CA C 13 55.451 0.400 . 1 . . . . 64 GLN CA . 6761 1 755 . 1 1 64 64 GLN CB C 13 30.525 0.400 . 1 . . . . 64 GLN CB . 6761 1 756 . 1 1 64 64 GLN CG C 13 34.717 0.400 . 1 . . . . 64 GLN CG . 6761 1 757 . 1 1 64 64 GLN N N 15 117.997 0.400 . 1 . . . . 64 GLN N . 6761 1 758 . 1 1 65 65 TRP H H 1 9.372 0.020 . 1 . . . . 65 TRP H . 6761 1 759 . 1 1 65 65 TRP HA H 1 3.979 0.020 . 1 . . . . 65 TRP HA . 6761 1 760 . 1 1 65 65 TRP HB2 H 1 3.121 0.020 . 1 . . . . 65 TRP HB2 . 6761 1 761 . 1 1 65 65 TRP HB3 H 1 3.565 0.020 . 1 . . . . 65 TRP HB3 . 6761 1 762 . 1 1 65 65 TRP HD1 H 1 6.761 0.020 . 1 . . . . 65 TRP HD1 . 6761 1 763 . 1 1 65 65 TRP HE3 H 1 7.095 0.020 . 1 . . . . 65 TRP HE3 . 6761 1 764 . 1 1 65 65 TRP HZ2 H 1 7.148 0.020 . 1 . . . . 65 TRP HZ2 . 6761 1 765 . 1 1 65 65 TRP HZ3 H 1 6.653 0.020 . 1 . . . . 65 TRP HZ3 . 6761 1 766 . 1 1 65 65 TRP HH2 H 1 6.925 0.020 . 1 . . . . 65 TRP HH2 . 6761 1 767 . 1 1 65 65 TRP C C 13 178.834 0.400 . 1 . . . . 65 TRP C . 6761 1 768 . 1 1 65 65 TRP CA C 13 61.142 0.400 . 1 . . . . 65 TRP CA . 6761 1 769 . 1 1 65 65 TRP CB C 13 29.614 0.400 . 1 . . . . 65 TRP CB . 6761 1 770 . 1 1 65 65 TRP CD1 C 13 126.015 0.400 . 1 . . . . 65 TRP CD1 . 6761 1 771 . 1 1 65 65 TRP CE3 C 13 118.406 0.400 . 1 . . . . 65 TRP CE3 . 6761 1 772 . 1 1 65 65 TRP CZ2 C 13 114.840 0.400 . 1 . . . . 65 TRP CZ2 . 6761 1 773 . 1 1 65 65 TRP CZ3 C 13 122.187 0.400 . 1 . . . . 65 TRP CZ3 . 6761 1 774 . 1 1 65 65 TRP CH2 C 13 125.560 0.400 . 1 . . . . 65 TRP CH2 . 6761 1 775 . 1 1 65 65 TRP N N 15 124.604 0.400 . 1 . . . . 65 TRP N . 6761 1 776 . 1 1 66 66 ARG H H 1 8.765 0.020 . 1 . . . . 66 ARG H . 6761 1 777 . 1 1 66 66 ARG HA H 1 4.053 0.020 . 1 . . . . 66 ARG HA . 6761 1 778 . 1 1 66 66 ARG HB2 H 1 1.706 0.020 . 2 . . . . 66 ARG HB2 . 6761 1 779 . 1 1 66 66 ARG HB3 H 1 1.557 0.020 . 2 . . . . 66 ARG HB3 . 6761 1 780 . 1 1 66 66 ARG HG2 H 1 0.077 0.020 . 2 . . . . 66 ARG HG2 . 6761 1 781 . 1 1 66 66 ARG HG3 H 1 1.003 0.020 . 2 . . . . 66 ARG HG3 . 6761 1 782 . 1 1 66 66 ARG HD2 H 1 2.629 0.020 . 2 . . . . 66 ARG HD2 . 6761 1 783 . 1 1 66 66 ARG HD3 H 1 2.779 0.020 . 2 . . . . 66 ARG HD3 . 6761 1 784 . 1 1 66 66 ARG C C 13 176.523 0.400 . 1 . . . . 66 ARG C . 6761 1 785 . 1 1 66 66 ARG CA C 13 57.997 0.400 . 1 . . . . 66 ARG CA . 6761 1 786 . 1 1 66 66 ARG CB C 13 29.512 0.400 . 1 . . . . 66 ARG CB . 6761 1 787 . 1 1 66 66 ARG CG C 13 24.829 0.400 . 1 . . . . 66 ARG CG . 6761 1 788 . 1 1 66 66 ARG CD C 13 43.729 0.400 . 1 . . . . 66 ARG CD . 6761 1 789 . 1 1 66 66 ARG N N 15 113.233 0.400 . 1 . . . . 66 ARG N . 6761 1 790 . 1 1 67 67 PHE H H 1 7.757 0.020 . 1 . . . . 67 PHE H . 6761 1 791 . 1 1 67 67 PHE HA H 1 5.087 0.020 . 1 . . . . 67 PHE HA . 6761 1 792 . 1 1 67 67 PHE HB2 H 1 2.748 0.020 . 1 . . . . 67 PHE HB2 . 6761 1 793 . 1 1 67 67 PHE HB3 H 1 3.625 0.020 . 1 . . . . 67 PHE HB3 . 6761 1 794 . 1 1 67 67 PHE HD1 H 1 7.345 0.020 . 1 . . . . 67 PHE HD1 . 6761 1 795 . 1 1 67 67 PHE HD2 H 1 7.345 0.020 . 1 . . . . 67 PHE HD2 . 6761 1 796 . 1 1 67 67 PHE HE1 H 1 7.132 0.020 . 1 . . . . 67 PHE HE1 . 6761 1 797 . 1 1 67 67 PHE HE2 H 1 7.132 0.020 . 1 . . . . 67 PHE HE2 . 6761 1 798 . 1 1 67 67 PHE C C 13 175.517 0.400 . 1 . . . . 67 PHE C . 6761 1 799 . 1 1 67 67 PHE CA C 13 56.325 0.400 . 1 . . . . 67 PHE CA . 6761 1 800 . 1 1 67 67 PHE CB C 13 40.390 0.400 . 1 . . . . 67 PHE CB . 6761 1 801 . 1 1 67 67 PHE CD1 C 13 131.469 0.400 . 1 . . . . 67 PHE CD1 . 6761 1 802 . 1 1 67 67 PHE CE1 C 13 133.194 0.400 . 1 . . . . 67 PHE CE1 . 6761 1 803 . 1 1 67 67 PHE N N 15 118.550 0.400 . 1 . . . . 67 PHE N . 6761 1 804 . 1 1 68 68 ALA H H 1 7.523 0.020 . 1 . . . . 68 ALA H . 6761 1 805 . 1 1 68 68 ALA HA H 1 4.144 0.020 . 1 . . . . 68 ALA HA . 6761 1 806 . 1 1 68 68 ALA HB1 H 1 1.150 0.020 . 1 . . . . 68 ALA HB . 6761 1 807 . 1 1 68 68 ALA HB2 H 1 1.150 0.020 . 1 . . . . 68 ALA HB . 6761 1 808 . 1 1 68 68 ALA HB3 H 1 1.150 0.020 . 1 . . . . 68 ALA HB . 6761 1 809 . 1 1 68 68 ALA C C 13 175.823 0.400 . 1 . . . . 68 ALA C . 6761 1 810 . 1 1 68 68 ALA CA C 13 53.149 0.400 . 1 . . . . 68 ALA CA . 6761 1 811 . 1 1 68 68 ALA CB C 13 18.945 0.400 . 1 . . . . 68 ALA CB . 6761 1 812 . 1 1 68 68 ALA N N 15 121.342 0.400 . 1 . . . . 68 ALA N . 6761 1 813 . 1 1 69 69 ASN H H 1 8.156 0.020 . 1 . . . . 69 ASN H . 6761 1 814 . 1 1 69 69 ASN HA H 1 4.029 0.020 . 1 . . . . 69 ASN HA . 6761 1 815 . 1 1 69 69 ASN HB2 H 1 2.986 0.020 . 1 . . . . 69 ASN HB2 . 6761 1 816 . 1 1 69 69 ASN HB3 H 1 2.571 0.020 . 1 . . . . 69 ASN HB3 . 6761 1 817 . 1 1 69 69 ASN C C 13 173.800 0.400 . 1 . . . . 69 ASN C . 6761 1 818 . 1 1 69 69 ASN CA C 13 53.801 0.400 . 1 . . . . 69 ASN CA . 6761 1 819 . 1 1 69 69 ASN CB C 13 37.139 0.400 . 1 . . . . 69 ASN CB . 6761 1 820 . 1 1 69 69 ASN N N 15 113.501 0.400 . 1 . . . . 69 ASN N . 6761 1 821 . 1 1 70 70 LEU H H 1 7.668 0.020 . 1 . . . . 70 LEU H . 6761 1 822 . 1 1 70 70 LEU HA H 1 4.365 0.020 . 1 . . . . 70 LEU HA . 6761 1 823 . 1 1 70 70 LEU HB2 H 1 0.811 0.020 . 1 . . . . 70 LEU HB2 . 6761 1 824 . 1 1 70 70 LEU HB3 H 1 0.589 0.020 . 1 . . . . 70 LEU HB3 . 6761 1 825 . 1 1 70 70 LEU HG H 1 1.172 0.020 . 1 . . . . 70 LEU HG . 6761 1 826 . 1 1 70 70 LEU HD11 H 1 0.600 0.020 . 2 . . . . 70 LEU HD1 . 6761 1 827 . 1 1 70 70 LEU HD12 H 1 0.600 0.020 . 2 . . . . 70 LEU HD1 . 6761 1 828 . 1 1 70 70 LEU HD13 H 1 0.600 0.020 . 2 . . . . 70 LEU HD1 . 6761 1 829 . 1 1 70 70 LEU HD21 H 1 0.171 0.020 . 2 . . . . 70 LEU HD2 . 6761 1 830 . 1 1 70 70 LEU HD22 H 1 0.171 0.020 . 2 . . . . 70 LEU HD2 . 6761 1 831 . 1 1 70 70 LEU HD23 H 1 0.171 0.020 . 2 . . . . 70 LEU HD2 . 6761 1 832 . 1 1 70 70 LEU C C 13 174.113 0.400 . 1 . . . . 70 LEU C . 6761 1 833 . 1 1 70 70 LEU CA C 13 50.674 0.400 . 1 . . . . 70 LEU CA . 6761 1 834 . 1 1 70 70 LEU CB C 13 43.115 0.400 . 1 . . . . 70 LEU CB . 6761 1 835 . 1 1 70 70 LEU CG C 13 25.802 0.400 . 1 . . . . 70 LEU CG . 6761 1 836 . 1 1 70 70 LEU CD1 C 13 26.508 0.400 . 1 . . . . 70 LEU CD1 . 6761 1 837 . 1 1 70 70 LEU CD2 C 13 23.411 0.400 . 1 . . . . 70 LEU CD2 . 6761 1 838 . 1 1 70 70 LEU N N 15 118.386 0.400 . 1 . . . . 70 LEU N . 6761 1 839 . 1 1 71 71 PRO HA H 1 4.467 0.020 . 1 . . . . 71 PRO HA . 6761 1 840 . 1 1 71 71 PRO HB2 H 1 2.018 0.020 . 2 . . . . 71 PRO HB2 . 6761 1 841 . 1 1 71 71 PRO HB3 H 1 2.263 0.020 . 2 . . . . 71 PRO HB3 . 6761 1 842 . 1 1 71 71 PRO HG2 H 1 1.903 0.020 . 2 . . . . 71 PRO HG2 . 6761 1 843 . 1 1 71 71 PRO HG3 H 1 2.248 0.020 . 2 . . . . 71 PRO HG3 . 6761 1 844 . 1 1 71 71 PRO HD2 H 1 2.948 0.020 . 2 . . . . 71 PRO HD2 . 6761 1 845 . 1 1 71 71 PRO HD3 H 1 3.560 0.020 . 2 . . . . 71 PRO HD3 . 6761 1 846 . 1 1 71 71 PRO C C 13 176.192 0.400 . 1 . . . . 71 PRO C . 6761 1 847 . 1 1 71 71 PRO CA C 13 61.684 0.400 . 1 . . . . 71 PRO CA . 6761 1 848 . 1 1 71 71 PRO CB C 13 32.158 0.400 . 1 . . . . 71 PRO CB . 6761 1 849 . 1 1 71 71 PRO CG C 13 26.980 0.400 . 1 . . . . 71 PRO CG . 6761 1 850 . 1 1 71 71 PRO CD C 13 50.365 0.400 . 1 . . . . 71 PRO CD . 6761 1 851 . 1 1 72 72 ASN H H 1 8.527 0.020 . 1 . . . . 72 ASN H . 6761 1 852 . 1 1 72 72 ASN HA H 1 4.694 0.020 . 1 . . . . 72 ASN HA . 6761 1 853 . 1 1 72 72 ASN HB2 H 1 2.904 0.020 . 1 . . . . 72 ASN HB2 . 6761 1 854 . 1 1 72 72 ASN HB3 H 1 2.783 0.020 . 1 . . . . 72 ASN HB3 . 6761 1 855 . 1 1 72 72 ASN C C 13 176.694 0.400 . 1 . . . . 72 ASN C . 6761 1 856 . 1 1 72 72 ASN CA C 13 54.383 0.400 . 1 . . . . 72 ASN CA . 6761 1 857 . 1 1 72 72 ASN CB C 13 38.077 0.400 . 1 . . . . 72 ASN CB . 6761 1 858 . 1 1 72 72 ASN N N 15 117.086 0.400 . 1 . . . . 72 ASN N . 6761 1 859 . 1 1 73 73 ASN H H 1 8.800 0.020 . 1 . . . . 73 ASN H . 6761 1 860 . 1 1 73 73 ASN HA H 1 4.421 0.020 . 1 . . . . 73 ASN HA . 6761 1 861 . 1 1 73 73 ASN HB2 H 1 2.962 0.020 . 2 . . . . 73 ASN HB2 . 6761 1 862 . 1 1 73 73 ASN HB3 H 1 2.902 0.020 . 2 . . . . 73 ASN HB3 . 6761 1 863 . 1 1 73 73 ASN C C 13 174.917 0.400 . 1 . . . . 73 ASN C . 6761 1 864 . 1 1 73 73 ASN CA C 13 54.707 0.400 . 1 . . . . 73 ASN CA . 6761 1 865 . 1 1 73 73 ASN CB C 13 37.044 0.400 . 1 . . . . 73 ASN CB . 6761 1 866 . 1 1 73 73 ASN N N 15 117.843 0.400 . 1 . . . . 73 ASN N . 6761 1 867 . 1 1 74 74 ALA H H 1 7.498 0.020 . 1 . . . . 74 ALA H . 6761 1 868 . 1 1 74 74 ALA HA H 1 4.111 0.020 . 1 . . . . 74 ALA HA . 6761 1 869 . 1 1 74 74 ALA HB1 H 1 1.412 0.020 . 1 . . . . 74 ALA HB . 6761 1 870 . 1 1 74 74 ALA HB2 H 1 1.412 0.020 . 1 . . . . 74 ALA HB . 6761 1 871 . 1 1 74 74 ALA HB3 H 1 1.412 0.020 . 1 . . . . 74 ALA HB . 6761 1 872 . 1 1 74 74 ALA C C 13 175.612 0.400 . 1 . . . . 74 ALA C . 6761 1 873 . 1 1 74 74 ALA CA C 13 53.708 0.400 . 1 . . . . 74 ALA CA . 6761 1 874 . 1 1 74 74 ALA CB C 13 19.407 0.400 . 1 . . . . 74 ALA CB . 6761 1 875 . 1 1 74 74 ALA N N 15 120.565 0.400 . 1 . . . . 74 ALA N . 6761 1 876 . 1 1 75 75 LYS H H 1 8.217 0.020 . 1 . . . . 75 LYS H . 6761 1 877 . 1 1 75 75 LYS HA H 1 4.865 0.020 . 1 . . . . 75 LYS HA . 6761 1 878 . 1 1 75 75 LYS HB2 H 1 1.922 0.020 . 2 . . . . 75 LYS HB2 . 6761 1 879 . 1 1 75 75 LYS HB3 H 1 1.962 0.020 . 2 . . . . 75 LYS HB3 . 6761 1 880 . 1 1 75 75 LYS HG2 H 1 1.341 0.020 . 2 . . . . 75 LYS HG2 . 6761 1 881 . 1 1 75 75 LYS HG3 H 1 1.699 0.020 . 2 . . . . 75 LYS HG3 . 6761 1 882 . 1 1 75 75 LYS HD2 H 1 1.749 0.020 . 1 . . . . 75 LYS HD2 . 6761 1 883 . 1 1 75 75 LYS HD3 H 1 1.749 0.020 . 1 . . . . 75 LYS HD3 . 6761 1 884 . 1 1 75 75 LYS HE2 H 1 3.035 0.020 . 1 . . . . 75 LYS HE2 . 6761 1 885 . 1 1 75 75 LYS HE3 H 1 3.035 0.020 . 1 . . . . 75 LYS HE3 . 6761 1 886 . 1 1 75 75 LYS C C 13 175.578 0.400 . 1 . . . . 75 LYS C . 6761 1 887 . 1 1 75 75 LYS CA C 13 55.741 0.400 . 1 . . . . 75 LYS CA . 6761 1 888 . 1 1 75 75 LYS CB C 13 32.219 0.400 . 1 . . . . 75 LYS CB . 6761 1 889 . 1 1 75 75 LYS CG C 13 25.306 0.400 . 1 . . . . 75 LYS CG . 6761 1 890 . 1 1 75 75 LYS CD C 13 29.554 0.400 . 1 . . . . 75 LYS CD . 6761 1 891 . 1 1 75 75 LYS CE C 13 42.066 0.400 . 1 . . . . 75 LYS CE . 6761 1 892 . 1 1 75 75 LYS N N 15 121.372 0.400 . 1 . . . . 75 LYS N . 6761 1 893 . 1 1 76 76 LEU H H 1 9.087 0.020 . 1 . . . . 76 LEU H . 6761 1 894 . 1 1 76 76 LEU HA H 1 5.375 0.020 . 1 . . . . 76 LEU HA . 6761 1 895 . 1 1 76 76 LEU HB2 H 1 1.946 0.020 . 1 . . . . 76 LEU HB2 . 6761 1 896 . 1 1 76 76 LEU HB3 H 1 1.416 0.020 . 1 . . . . 76 LEU HB3 . 6761 1 897 . 1 1 76 76 LEU HG H 1 1.860 0.020 . 1 . . . . 76 LEU HG . 6761 1 898 . 1 1 76 76 LEU HD11 H 1 0.832 0.020 . 2 . . . . 76 LEU HD1 . 6761 1 899 . 1 1 76 76 LEU HD12 H 1 0.832 0.020 . 2 . . . . 76 LEU HD1 . 6761 1 900 . 1 1 76 76 LEU HD13 H 1 0.832 0.020 . 2 . . . . 76 LEU HD1 . 6761 1 901 . 1 1 76 76 LEU HD21 H 1 0.957 0.020 . 2 . . . . 76 LEU HD2 . 6761 1 902 . 1 1 76 76 LEU HD22 H 1 0.957 0.020 . 2 . . . . 76 LEU HD2 . 6761 1 903 . 1 1 76 76 LEU HD23 H 1 0.957 0.020 . 2 . . . . 76 LEU HD2 . 6761 1 904 . 1 1 76 76 LEU C C 13 177.139 0.400 . 1 . . . . 76 LEU C . 6761 1 905 . 1 1 76 76 LEU CA C 13 52.890 0.400 . 1 . . . . 76 LEU CA . 6761 1 906 . 1 1 76 76 LEU CB C 13 44.659 0.400 . 1 . . . . 76 LEU CB . 6761 1 907 . 1 1 76 76 LEU CG C 13 27.625 0.400 . 1 . . . . 76 LEU CG . 6761 1 908 . 1 1 76 76 LEU CD1 C 13 26.081 0.400 . 1 . . . . 76 LEU CD1 . 6761 1 909 . 1 1 76 76 LEU CD2 C 13 24.599 0.400 . 1 . . . . 76 LEU CD2 . 6761 1 910 . 1 1 76 76 LEU N N 15 123.679 0.400 . 1 . . . . 76 LEU N . 6761 1 911 . 1 1 77 77 GLU H H 1 9.105 0.020 . 1 . . . . 77 GLU H . 6761 1 912 . 1 1 77 77 GLU HA H 1 4.920 0.020 . 1 . . . . 77 GLU HA . 6761 1 913 . 1 1 77 77 GLU HB2 H 1 1.911 0.020 . 2 . . . . 77 GLU HB2 . 6761 1 914 . 1 1 77 77 GLU HB3 H 1 2.008 0.020 . 2 . . . . 77 GLU HB3 . 6761 1 915 . 1 1 77 77 GLU HG2 H 1 2.203 0.020 . 1 . . . . 77 GLU HG2 . 6761 1 916 . 1 1 77 77 GLU HG3 H 1 2.203 0.020 . 1 . . . . 77 GLU HG3 . 6761 1 917 . 1 1 77 77 GLU C C 13 175.621 0.400 . 1 . . . . 77 GLU C . 6761 1 918 . 1 1 77 77 GLU CA C 13 55.638 0.400 . 1 . . . . 77 GLU CA . 6761 1 919 . 1 1 77 77 GLU CB C 13 33.371 0.400 . 1 . . . . 77 GLU CB . 6761 1 920 . 1 1 77 77 GLU CG C 13 36.530 0.400 . 1 . . . . 77 GLU CG . 6761 1 921 . 1 1 77 77 GLU N N 15 120.664 0.400 . 1 . . . . 77 GLU N . 6761 1 922 . 1 1 78 78 MET H H 1 8.074 0.020 . 1 . . . . 78 MET H . 6761 1 923 . 1 1 78 78 MET HA H 1 5.179 0.020 . 1 . . . . 78 MET HA . 6761 1 924 . 1 1 78 78 MET HB2 H 1 1.603 0.020 . 2 . . . . 78 MET HB2 . 6761 1 925 . 1 1 78 78 MET HB3 H 1 1.770 0.020 . 2 . . . . 78 MET HB3 . 6761 1 926 . 1 1 78 78 MET HG2 H 1 2.062 0.020 . 1 . . . . 78 MET HG2 . 6761 1 927 . 1 1 78 78 MET HG3 H 1 2.062 0.020 . 1 . . . . 78 MET HG3 . 6761 1 928 . 1 1 78 78 MET HE1 H 1 0.873 0.020 . 1 . . . . 78 MET HE . 6761 1 929 . 1 1 78 78 MET HE2 H 1 0.873 0.020 . 1 . . . . 78 MET HE . 6761 1 930 . 1 1 78 78 MET HE3 H 1 0.873 0.020 . 1 . . . . 78 MET HE . 6761 1 931 . 1 1 78 78 MET C C 13 175.641 0.400 . 1 . . . . 78 MET C . 6761 1 932 . 1 1 78 78 MET CA C 13 55.777 0.400 . 1 . . . . 78 MET CA . 6761 1 933 . 1 1 78 78 MET CB C 13 34.911 0.400 . 1 . . . . 78 MET CB . 6761 1 934 . 1 1 78 78 MET CG C 13 31.517 0.400 . 1 . . . . 78 MET CG . 6761 1 935 . 1 1 78 78 MET CE C 13 16.510 0.400 . 1 . . . . 78 MET CE . 6761 1 936 . 1 1 78 78 MET N N 15 122.483 0.400 . 1 . . . . 78 MET N . 6761 1 937 . 1 1 79 79 VAL H H 1 8.829 0.020 . 1 . . . . 79 VAL H . 6761 1 938 . 1 1 79 79 VAL HA H 1 5.063 0.020 . 1 . . . . 79 VAL HA . 6761 1 939 . 1 1 79 79 VAL HB H 1 2.161 0.020 . 1 . . . . 79 VAL HB . 6761 1 940 . 1 1 79 79 VAL HG11 H 1 0.815 0.020 . 2 . . . . 79 VAL HG1 . 6761 1 941 . 1 1 79 79 VAL HG12 H 1 0.815 0.020 . 2 . . . . 79 VAL HG1 . 6761 1 942 . 1 1 79 79 VAL HG13 H 1 0.815 0.020 . 2 . . . . 79 VAL HG1 . 6761 1 943 . 1 1 79 79 VAL HG21 H 1 0.921 0.020 . 2 . . . . 79 VAL HG2 . 6761 1 944 . 1 1 79 79 VAL HG22 H 1 0.921 0.020 . 2 . . . . 79 VAL HG2 . 6761 1 945 . 1 1 79 79 VAL HG23 H 1 0.921 0.020 . 2 . . . . 79 VAL HG2 . 6761 1 946 . 1 1 79 79 VAL C C 13 172.274 0.400 . 1 . . . . 79 VAL C . 6761 1 947 . 1 1 79 79 VAL CA C 13 57.942 0.400 . 1 . . . . 79 VAL CA . 6761 1 948 . 1 1 79 79 VAL CB C 13 34.232 0.400 . 1 . . . . 79 VAL CB . 6761 1 949 . 1 1 79 79 VAL CG1 C 13 19.542 0.400 . 1 . . . . 79 VAL CG1 . 6761 1 950 . 1 1 79 79 VAL CG2 C 13 22.055 0.400 . 1 . . . . 79 VAL CG2 . 6761 1 951 . 1 1 79 79 VAL N N 15 120.254 0.400 . 1 . . . . 79 VAL N . 6761 1 952 . 1 1 80 80 PRO HA H 1 4.304 0.020 . 1 . . . . 80 PRO HA . 6761 1 953 . 1 1 80 80 PRO HB2 H 1 1.826 0.020 . 2 . . . . 80 PRO HB2 . 6761 1 954 . 1 1 80 80 PRO HB3 H 1 2.292 0.020 . 2 . . . . 80 PRO HB3 . 6761 1 955 . 1 1 80 80 PRO HG2 H 1 2.035 0.020 . 2 . . . . 80 PRO HG2 . 6761 1 956 . 1 1 80 80 PRO HG3 H 1 2.175 0.020 . 2 . . . . 80 PRO HG3 . 6761 1 957 . 1 1 80 80 PRO HD2 H 1 3.991 0.020 . 2 . . . . 80 PRO HD2 . 6761 1 958 . 1 1 80 80 PRO HD3 H 1 3.742 0.020 . 2 . . . . 80 PRO HD3 . 6761 1 959 . 1 1 80 80 PRO C C 13 177.613 0.400 . 1 . . . . 80 PRO C . 6761 1 960 . 1 1 80 80 PRO CA C 13 63.321 0.400 . 1 . . . . 80 PRO CA . 6761 1 961 . 1 1 80 80 PRO CB C 13 32.072 0.400 . 1 . . . . 80 PRO CB . 6761 1 962 . 1 1 80 80 PRO CG C 13 28.203 0.400 . 1 . . . . 80 PRO CG . 6761 1 963 . 1 1 80 80 PRO CD C 13 50.912 0.400 . 1 . . . . 80 PRO CD . 6761 1 964 . 1 1 81 81 VAL H H 1 7.656 0.020 . 1 . . . . 81 VAL H . 6761 1 965 . 1 1 81 81 VAL HA H 1 3.993 0.020 . 1 . . . . 81 VAL HA . 6761 1 966 . 1 1 81 81 VAL HB H 1 1.775 0.020 . 1 . . . . 81 VAL HB . 6761 1 967 . 1 1 81 81 VAL HG11 H 1 0.755 0.020 . 2 . . . . 81 VAL HG1 . 6761 1 968 . 1 1 81 81 VAL HG12 H 1 0.755 0.020 . 2 . . . . 81 VAL HG1 . 6761 1 969 . 1 1 81 81 VAL HG13 H 1 0.755 0.020 . 2 . . . . 81 VAL HG1 . 6761 1 970 . 1 1 81 81 VAL C C 13 176.034 0.400 . 1 . . . . 81 VAL C . 6761 1 971 . 1 1 81 81 VAL CA C 13 62.447 0.400 . 1 . . . . 81 VAL CA . 6761 1 972 . 1 1 81 81 VAL CB C 13 32.451 0.400 . 1 . . . . 81 VAL CB . 6761 1 973 . 1 1 81 81 VAL CG1 C 13 20.571 0.400 . 1 . . . . 81 VAL CG1 . 6761 1 974 . 1 1 81 81 VAL N N 15 121.470 0.400 . 1 . . . . 81 VAL N . 6761 1 975 . 1 1 82 82 SER H H 1 8.418 0.020 . 1 . . . . 82 SER H . 6761 1 976 . 1 1 82 82 SER HA H 1 4.434 0.020 . 1 . . . . 82 SER HA . 6761 1 977 . 1 1 82 82 SER HB2 H 1 3.867 0.020 . 1 . . . . 82 SER HB2 . 6761 1 978 . 1 1 82 82 SER HB3 H 1 3.867 0.020 . 1 . . . . 82 SER HB3 . 6761 1 979 . 1 1 82 82 SER C C 13 174.621 0.400 . 1 . . . . 82 SER C . 6761 1 980 . 1 1 82 82 SER CA C 13 58.716 0.400 . 1 . . . . 82 SER CA . 6761 1 981 . 1 1 82 82 SER CB C 13 63.739 0.400 . 1 . . . . 82 SER CB . 6761 1 982 . 1 1 82 82 SER N N 15 118.765 0.400 . 1 . . . . 82 SER N . 6761 1 983 . 1 1 83 83 ARG H H 1 8.132 0.020 . 1 . . . . 83 ARG H . 6761 1 984 . 1 1 83 83 ARG HA H 1 4.452 0.020 . 1 . . . . 83 ARG HA . 6761 1 985 . 1 1 83 83 ARG HB2 H 1 1.763 0.020 . 2 . . . . 83 ARG HB2 . 6761 1 986 . 1 1 83 83 ARG HB3 H 1 1.877 0.020 . 2 . . . . 83 ARG HB3 . 6761 1 987 . 1 1 83 83 ARG HG2 H 1 1.606 0.020 . 1 . . . . 83 ARG HG2 . 6761 1 988 . 1 1 83 83 ARG HG3 H 1 1.606 0.020 . 1 . . . . 83 ARG HG3 . 6761 1 989 . 1 1 83 83 ARG HD2 H 1 3.168 0.020 . 1 . . . . 83 ARG HD2 . 6761 1 990 . 1 1 83 83 ARG HD3 H 1 3.168 0.020 . 1 . . . . 83 ARG HD3 . 6761 1 991 . 1 1 83 83 ARG C C 13 175.938 0.400 . 1 . . . . 83 ARG C . 6761 1 992 . 1 1 83 83 ARG CA C 13 55.594 0.400 . 1 . . . . 83 ARG CA . 6761 1 993 . 1 1 83 83 ARG CB C 13 31.205 0.400 . 1 . . . . 83 ARG CB . 6761 1 994 . 1 1 83 83 ARG CG C 13 27.030 0.400 . 1 . . . . 83 ARG CG . 6761 1 995 . 1 1 83 83 ARG CD C 13 43.388 0.400 . 1 . . . . 83 ARG CD . 6761 1 996 . 1 1 83 83 ARG N N 15 123.090 0.400 . 1 . . . . 83 ARG N . 6761 1 997 . 1 1 84 84 SER H H 1 8.423 0.020 . 1 . . . . 84 SER H . 6761 1 998 . 1 1 84 84 SER HA H 1 4.347 0.020 . 1 . . . . 84 SER HA . 6761 1 999 . 1 1 84 84 SER HB2 H 1 3.881 0.020 . 2 . . . . 84 SER HB2 . 6761 1 1000 . 1 1 84 84 SER HB3 H 1 3.835 0.020 . 2 . . . . 84 SER HB3 . 6761 1 1001 . 1 1 84 84 SER C C 13 174.890 0.400 . 1 . . . . 84 SER C . 6761 1 1002 . 1 1 84 84 SER CA C 13 58.853 0.400 . 1 . . . . 84 SER CA . 6761 1 1003 . 1 1 84 84 SER CB C 13 63.634 0.400 . 1 . . . . 84 SER CB . 6761 1 1004 . 1 1 84 84 SER N N 15 117.722 0.400 . 1 . . . . 84 SER N . 6761 1 1005 . 1 1 85 85 ARG H H 1 8.538 0.020 . 1 . . . . 85 ARG H . 6761 1 1006 . 1 1 85 85 ARG HA H 1 4.390 0.020 . 1 . . . . 85 ARG HA . 6761 1 1007 . 1 1 85 85 ARG HB2 H 1 1.724 0.020 . 2 . . . . 85 ARG HB2 . 6761 1 1008 . 1 1 85 85 ARG HB3 H 1 1.888 0.020 . 2 . . . . 85 ARG HB3 . 6761 1 1009 . 1 1 85 85 ARG HG2 H 1 1.624 0.020 . 1 . . . . 85 ARG HG2 . 6761 1 1010 . 1 1 85 85 ARG HG3 H 1 1.624 0.020 . 1 . . . . 85 ARG HG3 . 6761 1 1011 . 1 1 85 85 ARG HD2 H 1 3.184 0.020 . 1 . . . . 85 ARG HD2 . 6761 1 1012 . 1 1 85 85 ARG HD3 H 1 3.184 0.020 . 1 . . . . 85 ARG HD3 . 6761 1 1013 . 1 1 85 85 ARG C C 13 176.299 0.400 . 1 . . . . 85 ARG C . 6761 1 1014 . 1 1 85 85 ARG CA C 13 56.313 0.400 . 1 . . . . 85 ARG CA . 6761 1 1015 . 1 1 85 85 ARG CB C 13 30.947 0.400 . 1 . . . . 85 ARG CB . 6761 1 1016 . 1 1 85 85 ARG CG C 13 27.371 0.400 . 1 . . . . 85 ARG CG . 6761 1 1017 . 1 1 85 85 ARG CD C 13 43.492 0.400 . 1 . . . . 85 ARG CD . 6761 1 1018 . 1 1 85 85 ARG N N 15 123.733 0.400 . 1 . . . . 85 ARG N . 6761 1 1019 . 1 1 86 86 GLU H H 1 8.375 0.020 . 1 . . . . 86 GLU H . 6761 1 1020 . 1 1 86 86 GLU HA H 1 4.334 0.020 . 1 . . . . 86 GLU HA . 6761 1 1021 . 1 1 86 86 GLU HB2 H 1 2.087 0.020 . 2 . . . . 86 GLU HB2 . 6761 1 1022 . 1 1 86 86 GLU HB3 H 1 1.930 0.020 . 2 . . . . 86 GLU HB3 . 6761 1 1023 . 1 1 86 86 GLU HG2 H 1 2.268 0.020 . 1 . . . . 86 GLU HG2 . 6761 1 1024 . 1 1 86 86 GLU HG3 H 1 2.268 0.020 . 1 . . . . 86 GLU HG3 . 6761 1 1025 . 1 1 86 86 GLU C C 13 176.530 0.400 . 1 . . . . 86 GLU C . 6761 1 1026 . 1 1 86 86 GLU CA C 13 56.574 0.400 . 1 . . . . 86 GLU CA . 6761 1 1027 . 1 1 86 86 GLU CB C 13 30.618 0.400 . 1 . . . . 86 GLU CB . 6761 1 1028 . 1 1 86 86 GLU CG C 13 36.362 0.400 . 1 . . . . 86 GLU CG . 6761 1 1029 . 1 1 86 86 GLU N N 15 121.675 0.400 . 1 . . . . 86 GLU N . 6761 1 1030 . 1 1 87 87 GLY H H 1 8.254 0.020 . 1 . . . . 87 GLY H . 6761 1 1031 . 1 1 87 87 GLY HA2 H 1 4.141 0.020 . 2 . . . . 87 GLY HA2 . 6761 1 1032 . 1 1 87 87 GLY HA3 H 1 4.091 0.020 . 2 . . . . 87 GLY HA3 . 6761 1 1033 . 1 1 87 87 GLY C C 13 171.853 0.400 . 1 . . . . 87 GLY C . 6761 1 1034 . 1 1 87 87 GLY CA C 13 44.627 0.400 . 1 . . . . 87 GLY CA . 6761 1 1035 . 1 1 87 87 GLY N N 15 110.181 0.400 . 1 . . . . 87 GLY N . 6761 1 1036 . 1 1 88 88 PRO HA H 1 4.464 0.020 . 1 . . . . 88 PRO HA . 6761 1 1037 . 1 1 88 88 PRO HB2 H 1 2.292 0.020 . 2 . . . . 88 PRO HB2 . 6761 1 1038 . 1 1 88 88 PRO HB3 H 1 1.987 0.020 . 2 . . . . 88 PRO HB3 . 6761 1 1039 . 1 1 88 88 PRO HG2 H 1 2.022 0.020 . 1 . . . . 88 PRO HG2 . 6761 1 1040 . 1 1 88 88 PRO HG3 H 1 2.022 0.020 . 1 . . . . 88 PRO HG3 . 6761 1 1041 . 1 1 88 88 PRO HD2 H 1 3.634 0.020 . 1 . . . . 88 PRO HD2 . 6761 1 1042 . 1 1 88 88 PRO HD3 H 1 3.634 0.020 . 1 . . . . 88 PRO HD3 . 6761 1 1043 . 1 1 88 88 PRO C C 13 177.186 0.400 . 1 . . . . 88 PRO C . 6761 1 1044 . 1 1 88 88 PRO CA C 13 63.245 0.400 . 1 . . . . 88 PRO CA . 6761 1 1045 . 1 1 88 88 PRO CB C 13 32.243 0.400 . 1 . . . . 88 PRO CB . 6761 1 1046 . 1 1 88 88 PRO CG C 13 27.224 0.400 . 1 . . . . 88 PRO CG . 6761 1 1047 . 1 1 88 88 PRO CD C 13 49.857 0.400 . 1 . . . . 88 PRO CD . 6761 1 1048 . 1 1 89 89 GLU H H 1 8.594 0.020 . 1 . . . . 89 GLU H . 6761 1 1049 . 1 1 89 89 GLU HA H 1 4.273 0.020 . 1 . . . . 89 GLU HA . 6761 1 1050 . 1 1 89 89 GLU HB2 H 1 2.096 0.020 . 2 . . . . 89 GLU HB2 . 6761 1 1051 . 1 1 89 89 GLU HB3 H 1 1.939 0.020 . 2 . . . . 89 GLU HB3 . 6761 1 1052 . 1 1 89 89 GLU HG2 H 1 2.278 0.020 . 1 . . . . 89 GLU HG2 . 6761 1 1053 . 1 1 89 89 GLU HG3 H 1 2.278 0.020 . 1 . . . . 89 GLU HG3 . 6761 1 1054 . 1 1 89 89 GLU C C 13 175.560 0.400 . 1 . . . . 89 GLU C . 6761 1 1055 . 1 1 89 89 GLU CA C 13 56.800 0.400 . 1 . . . . 89 GLU CA . 6761 1 1056 . 1 1 89 89 GLU CB C 13 30.350 0.400 . 1 . . . . 89 GLU CB . 6761 1 1057 . 1 1 89 89 GLU CG C 13 36.378 0.400 . 1 . . . . 89 GLU CG . 6761 1 1058 . 1 1 89 89 GLU N N 15 121.209 0.400 . 1 . . . . 89 GLU N . 6761 1 1059 . 1 1 90 90 ASN H H 1 7.960 0.020 . 1 . . . . 90 ASN H . 6761 1 1060 . 1 1 90 90 ASN HA H 1 4.450 0.020 . 1 . . . . 90 ASN HA . 6761 1 1061 . 1 1 90 90 ASN HB2 H 1 2.673 0.020 . 2 . . . . 90 ASN HB2 . 6761 1 1062 . 1 1 90 90 ASN HB3 H 1 2.761 0.020 . 2 . . . . 90 ASN HB3 . 6761 1 1063 . 1 1 90 90 ASN C C 13 179.485 0.400 . 1 . . . . 90 ASN C . 6761 1 1064 . 1 1 90 90 ASN CA C 13 54.852 0.400 . 1 . . . . 90 ASN CA . 6761 1 1065 . 1 1 90 90 ASN CB C 13 40.638 0.400 . 1 . . . . 90 ASN CB . 6761 1 1066 . 1 1 90 90 ASN N N 15 124.668 0.400 . 1 . . . . 90 ASN N . 6761 1 stop_ save_