data_7268 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7268 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for the N-terminal Extracellular Domain of Truncated Cadherin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-08-18 _Entry.Accession_date 2006-08-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Eunjung Bang . . . 7268 2 Daniel Haussinger . . . 7268 3 Joerg Stetefeld . . . 7268 4 Thomas Ahrens . . . 7268 5 Sonja Dames . A. . 7268 6 Stephan Grzesiek . . . 7268 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7268 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 450 7268 '15N chemical shifts' 101 7268 '1H chemical shifts' 718 7268 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 3 . . 2008-07-17 2006-08-18 update BMRB 'complete entry citation' 7268 2 . . 2007-06-12 2006-08-18 update author 'Update the shifts' 7268 1 . . 2007-01-09 2006-08-18 original author 'original release' 7268 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2V37 'BMRB Entry Tracking System' 7268 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7268 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17180550 _Citation.Full_citation . _Citation.Title '1H, 13C, and 15N chemical shift assignments for the N-terminal extracellular domain of T-cadherin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 38 _Citation.Journal_issue 2 _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 179 _Citation.Page_last 179 _Citation.Year 2007 _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 Eunjung Bang . . . 7268 1 2 Daniel Haussinger . . . 7268 1 3 Joerg Stetefeld . . . 7268 1 4 Thomas Ahrens . . . 7268 1 5 Stephan Grzesiek . . . 7268 1 6 Sonja Dames . A. . 7268 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID cadherin 7268 1 CDH13 7268 1 'cell adhesion' 7268 1 H-cadherin 7268 1 T-cadherin 7268 1 truncated 7268 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7268 _Assembly.ID 1 _Assembly.Name 'TCAD1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 11741 _Assembly.Enzyme_commission_number . _Assembly.Details 'N-terminal extracellular domain of truncated cadherin' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7268 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'TCAD1 monomer' 1 $TCAD1 . . yes native no no . . . 7268 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TCAD1 _Entity.Sf_category entity _Entity.Sf_framecode TCAD1 _Entity.Entry_ID 7268 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'N-terminal extracellular domain of truncated cadherin' _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 ; SIVVSPILIPENQRQPFPRD VGKVVDSDRPERSKFRLTGK GVDQEPKGIFRINENTGSVS VTRTLDREVIAVYQLFVETT DVNGKTLEGPVPLEVIVIDQ NDNRP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11741 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; A second set of resonances indicates the presence of a second conformation. Mass spectrometry and polyacryl gel electrophoresis show no heterogenity of the sample. A sample that was first unfolded with 8M urea and then refolded showed NMR spectra very similar to the native ones. ; _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 2V37 . "Solution Structure Of The N-Terminal Extracellular Domain Of Human T-Cadherin" . . . . . 100.00 105 100.00 100.00 1.02e-65 . . . . 7268 1 2 no DBJ BAA32411 . "H-cadherin [Homo sapiens]" . . . . . 100.00 713 100.00 100.00 1.91e-61 . . . . 7268 1 3 no DBJ BAG10735 . "cadherin-13 precursor [synthetic construct]" . . . . . 100.00 713 100.00 100.00 1.91e-61 . . . . 7268 1 4 no DBJ BAH12826 . "unnamed protein product [Homo sapiens]" . . . . . 79.05 674 98.80 100.00 1.85e-45 . . . . 7268 1 5 no DBJ BAH14247 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 760 100.00 100.00 1.84e-61 . . . . 7268 1 6 no EMBL CAH92850 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 713 100.00 100.00 1.89e-61 . . . . 7268 1 7 no GB AAA35624 . "cadherin-13 [Homo sapiens]" . . . . . 100.00 713 100.00 100.00 1.91e-61 . . . . 7268 1 8 no GB AAB18911 . "H-cadherin [Homo sapiens]" . . . . . 100.00 713 100.00 100.00 1.91e-61 . . . . 7268 1 9 no GB AAB18912 . "H-cadherin [Homo sapiens]" . . . . . 100.00 713 100.00 100.00 1.91e-61 . . . . 7268 1 10 no GB AAH28624 . "Cadherin 13, H-cadherin (heart) [Homo sapiens]" . . . . . 100.00 713 99.05 100.00 3.14e-61 . . . . 7268 1 11 no GB AAH30653 . "Cadherin 13, H-cadherin (heart) [Homo sapiens]" . . . . . 100.00 713 99.05 100.00 3.14e-61 . . . . 7268 1 12 no REF NP_001103282 . "cadherin-13 precursor [Equus caballus]" . . . . . 100.00 712 97.14 97.14 1.81e-59 . . . . 7268 1 13 no REF NP_001126665 . "cadherin-13 precursor [Pongo abelii]" . . . . . 100.00 713 100.00 100.00 1.89e-61 . . . . 7268 1 14 no REF NP_001207417 . "cadherin-13 isoform 2 [Homo sapiens]" . . . . . 100.00 760 100.00 100.00 2.39e-61 . . . . 7268 1 15 no REF NP_001207418 . "cadherin-13 isoform 3 precursor [Homo sapiens]" . . . . . 79.05 674 98.80 100.00 1.85e-45 . . . . 7268 1 16 no REF NP_001248 . "cadherin-13 isoform 1 preproprotein [Homo sapiens]" . . . . . 100.00 713 100.00 100.00 1.91e-61 . . . . 7268 1 17 no SP P55290 . "RecName: Full=Cadherin-13; AltName: Full=Heart cadherin; Short=H-cadherin; AltName: Full=P105; AltName: Full=Truncated cadherin" . . . . . 100.00 713 100.00 100.00 1.91e-61 . . . . 7268 1 18 no SP Q5R5W6 . "RecName: Full=Cadherin-13; Flags: Precursor [Pongo abelii]" . . . . . 100.00 713 100.00 100.00 1.89e-61 . . . . 7268 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 . SER . 7268 1 2 . ILE . 7268 1 3 . VAL . 7268 1 4 . VAL . 7268 1 5 . SER . 7268 1 6 . PRO . 7268 1 7 . ILE . 7268 1 8 . LEU . 7268 1 9 . ILE . 7268 1 10 . PRO . 7268 1 11 . GLU . 7268 1 12 . ASN . 7268 1 13 . GLN . 7268 1 14 . ARG . 7268 1 15 . GLN . 7268 1 16 . PRO . 7268 1 17 . PHE . 7268 1 18 . PRO . 7268 1 19 . ARG . 7268 1 20 . ASP . 7268 1 21 . VAL . 7268 1 22 . GLY . 7268 1 23 . LYS . 7268 1 24 . VAL . 7268 1 25 . VAL . 7268 1 26 . ASP . 7268 1 27 . SER . 7268 1 28 . ASP . 7268 1 29 . ARG . 7268 1 30 . PRO . 7268 1 31 . GLU . 7268 1 32 . ARG . 7268 1 33 . SER . 7268 1 34 . LYS . 7268 1 35 . PHE . 7268 1 36 . ARG . 7268 1 37 . LEU . 7268 1 38 . THR . 7268 1 39 . GLY . 7268 1 40 . LYS . 7268 1 41 . GLY . 7268 1 42 . VAL . 7268 1 43 . ASP . 7268 1 44 . GLN . 7268 1 45 . GLU . 7268 1 46 . PRO . 7268 1 47 . LYS . 7268 1 48 . GLY . 7268 1 49 . ILE . 7268 1 50 . PHE . 7268 1 51 . ARG . 7268 1 52 . ILE . 7268 1 53 . ASN . 7268 1 54 . GLU . 7268 1 55 . ASN . 7268 1 56 . THR . 7268 1 57 . GLY . 7268 1 58 . SER . 7268 1 59 . VAL . 7268 1 60 . SER . 7268 1 61 . VAL . 7268 1 62 . THR . 7268 1 63 . ARG . 7268 1 64 . THR . 7268 1 65 . LEU . 7268 1 66 . ASP . 7268 1 67 . ARG . 7268 1 68 . GLU . 7268 1 69 . VAL . 7268 1 70 . ILE . 7268 1 71 . ALA . 7268 1 72 . VAL . 7268 1 73 . TYR . 7268 1 74 . GLN . 7268 1 75 . LEU . 7268 1 76 . PHE . 7268 1 77 . VAL . 7268 1 78 . GLU . 7268 1 79 . THR . 7268 1 80 . THR . 7268 1 81 . ASP . 7268 1 82 . VAL . 7268 1 83 . ASN . 7268 1 84 . GLY . 7268 1 85 . LYS . 7268 1 86 . THR . 7268 1 87 . LEU . 7268 1 88 . GLU . 7268 1 89 . GLY . 7268 1 90 . PRO . 7268 1 91 . VAL . 7268 1 92 . PRO . 7268 1 93 . LEU . 7268 1 94 . GLU . 7268 1 95 . VAL . 7268 1 96 . ILE . 7268 1 97 . VAL . 7268 1 98 . ILE . 7268 1 99 . ASP . 7268 1 100 . GLN . 7268 1 101 . ASN . 7268 1 102 . ASP . 7268 1 103 . ASN . 7268 1 104 . ARG . 7268 1 105 . PRO . 7268 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 . SER 1 1 7268 1 . ILE 2 2 7268 1 . VAL 3 3 7268 1 . VAL 4 4 7268 1 . SER 5 5 7268 1 . PRO 6 6 7268 1 . ILE 7 7 7268 1 . LEU 8 8 7268 1 . ILE 9 9 7268 1 . PRO 10 10 7268 1 . GLU 11 11 7268 1 . ASN 12 12 7268 1 . GLN 13 13 7268 1 . ARG 14 14 7268 1 . GLN 15 15 7268 1 . PRO 16 16 7268 1 . PHE 17 17 7268 1 . PRO 18 18 7268 1 . ARG 19 19 7268 1 . ASP 20 20 7268 1 . VAL 21 21 7268 1 . GLY 22 22 7268 1 . LYS 23 23 7268 1 . VAL 24 24 7268 1 . VAL 25 25 7268 1 . ASP 26 26 7268 1 . SER 27 27 7268 1 . ASP 28 28 7268 1 . ARG 29 29 7268 1 . PRO 30 30 7268 1 . GLU 31 31 7268 1 . ARG 32 32 7268 1 . SER 33 33 7268 1 . LYS 34 34 7268 1 . PHE 35 35 7268 1 . ARG 36 36 7268 1 . LEU 37 37 7268 1 . THR 38 38 7268 1 . GLY 39 39 7268 1 . LYS 40 40 7268 1 . GLY 41 41 7268 1 . VAL 42 42 7268 1 . ASP 43 43 7268 1 . GLN 44 44 7268 1 . GLU 45 45 7268 1 . PRO 46 46 7268 1 . LYS 47 47 7268 1 . GLY 48 48 7268 1 . ILE 49 49 7268 1 . PHE 50 50 7268 1 . ARG 51 51 7268 1 . ILE 52 52 7268 1 . ASN 53 53 7268 1 . GLU 54 54 7268 1 . ASN 55 55 7268 1 . THR 56 56 7268 1 . GLY 57 57 7268 1 . SER 58 58 7268 1 . VAL 59 59 7268 1 . SER 60 60 7268 1 . VAL 61 61 7268 1 . THR 62 62 7268 1 . ARG 63 63 7268 1 . THR 64 64 7268 1 . LEU 65 65 7268 1 . ASP 66 66 7268 1 . ARG 67 67 7268 1 . GLU 68 68 7268 1 . VAL 69 69 7268 1 . ILE 70 70 7268 1 . ALA 71 71 7268 1 . VAL 72 72 7268 1 . TYR 73 73 7268 1 . GLN 74 74 7268 1 . LEU 75 75 7268 1 . PHE 76 76 7268 1 . VAL 77 77 7268 1 . GLU 78 78 7268 1 . THR 79 79 7268 1 . THR 80 80 7268 1 . ASP 81 81 7268 1 . VAL 82 82 7268 1 . ASN 83 83 7268 1 . GLY 84 84 7268 1 . LYS 85 85 7268 1 . THR 86 86 7268 1 . LEU 87 87 7268 1 . GLU 88 88 7268 1 . GLY 89 89 7268 1 . PRO 90 90 7268 1 . VAL 91 91 7268 1 . PRO 92 92 7268 1 . LEU 93 93 7268 1 . GLU 94 94 7268 1 . VAL 95 95 7268 1 . ILE 96 96 7268 1 . VAL 97 97 7268 1 . ILE 98 98 7268 1 . ASP 99 99 7268 1 . GLN 100 100 7268 1 . ASN 101 101 7268 1 . ASP 102 102 7268 1 . ASN 103 103 7268 1 . ARG 104 104 7268 1 . PRO 105 105 7268 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 7268 _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 $TCAD1 . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7268 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID . 1 $TCAD1 . . . . . . . . 7268 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 7268 _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 $TCAD1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7268 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7268 _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 'N-terminal extracellular domain of truncated cadherin' '[U-98% 13C; U-99% 15N]' . . 1 $TCAD1 . protein 0.6 . . mM . . . . 7268 1 2 TRIS . . . . . . buffer 5.0 . . mM . . . . 7268 1 3 NaCl . . . . . . salt 10.0 . . mM . . . . 7268 1 4 EDTA . . . . . . 'chelating agent' 1.0 . . mM . . . . 7268 1 5 TCEP . . . . . . 'reducing agent' 1.0 . . mM . . . . 7268 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 7268 _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 7.8 0.02 pH 7268 1 temperature 298 0.1 K 7268 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_DRX_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode DRX_600 _NMR_spectrometer.Entry_ID 7268 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_DRX_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode DRX_800 _NMR_spectrometer.Entry_ID 7268 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 7268 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7268 1 2 '3D HNCO' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7268 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7268 1 4 '3D HBHA(CBCACO)NH' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7268 1 5 '3D CCONH-TOCSY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7268 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7268 1 7 '3D HNHA' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7268 1 8 '3D 15N NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7268 1 9 '3D 13C NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7268 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 7268 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7268 1 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . . . . . 7268 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7268 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 7268 _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 7268 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 SER HA H 1 4.186 0.02 . 1 . . . . 1 SER HA . 7268 1 2 . 1 1 1 1 SER HB2 H 1 3.945 0.02 . 2 . . . . 1 SER HB1 . 7268 1 3 . 1 1 1 1 SER HB3 H 1 3.809 0.02 . 2 . . . . 1 SER HB2 . 7268 1 4 . 1 1 1 1 SER C C 13 170.743 0.1 . 1 . . . . 1 SER C . 7268 1 5 . 1 1 1 1 SER CA C 13 56.471 0.1 . 1 . . . . 1 SER CA . 7268 1 6 . 1 1 1 1 SER CB C 13 62.651 0.1 . 1 . . . . 1 SER CB . 7268 1 7 . 1 1 2 2 ILE H H 1 9.413 0.02 . 1 . . . . 2 ILE HN . 7268 1 8 . 1 1 2 2 ILE HA H 1 4.197 0.02 . 1 . . . . 2 ILE HA . 7268 1 9 . 1 1 2 2 ILE HB H 1 1.597 0.02 . 1 . . . . 2 ILE HB . 7268 1 10 . 1 1 2 2 ILE HG12 H 1 1.726 0.02 . 2 . . . . 2 ILE HG11 . 7268 1 11 . 1 1 2 2 ILE HG13 H 1 0.785 0.02 . 2 . . . . 2 ILE HG12 . 7268 1 12 . 1 1 2 2 ILE HG21 H 1 0.678 0.02 . 1 . . . . 2 ILE HG2 . 7268 1 13 . 1 1 2 2 ILE HG22 H 1 0.678 0.02 . 1 . . . . 2 ILE HG2 . 7268 1 14 . 1 1 2 2 ILE HG23 H 1 0.678 0.02 . 1 . . . . 2 ILE HG2 . 7268 1 15 . 1 1 2 2 ILE HD11 H 1 0.854 0.02 . 1 . . . . 2 ILE HD1 . 7268 1 16 . 1 1 2 2 ILE HD12 H 1 0.854 0.02 . 1 . . . . 2 ILE HD1 . 7268 1 17 . 1 1 2 2 ILE HD13 H 1 0.854 0.02 . 1 . . . . 2 ILE HD1 . 7268 1 18 . 1 1 2 2 ILE C C 13 176.136 0.1 . 1 . . . . 2 ILE C . 7268 1 19 . 1 1 2 2 ILE CA C 13 63.406 0.1 . 1 . . . . 2 ILE CA . 7268 1 20 . 1 1 2 2 ILE CB C 13 38.920 0.1 . 1 . . . . 2 ILE CB . 7268 1 21 . 1 1 2 2 ILE CG1 C 13 29.550 0.1 . 1 . . . . 2 ILE CG1 . 7268 1 22 . 1 1 2 2 ILE CG2 C 13 18.248 0.1 . 1 . . . . 2 ILE CG2 . 7268 1 23 . 1 1 2 2 ILE CD1 C 13 14.281 0.1 . 1 . . . . 2 ILE CD1 . 7268 1 24 . 1 1 2 2 ILE N N 15 125.629 0.1 . 1 . . . . 2 ILE N . 7268 1 25 . 1 1 3 3 VAL H H 1 9.261 0.02 . 1 . . . . 3 VAL HN . 7268 1 26 . 1 1 3 3 VAL HA H 1 4.218 0.02 . 1 . . . . 3 VAL HA . 7268 1 27 . 1 1 3 3 VAL HB H 1 1.916 0.02 . 1 . . . . 3 VAL HB . 7268 1 28 . 1 1 3 3 VAL HG11 H 1 0.913 0.02 . 4 . . . . 3 VAL HG1 . 7268 1 29 . 1 1 3 3 VAL HG12 H 1 0.913 0.02 . 4 . . . . 3 VAL HG1 . 7268 1 30 . 1 1 3 3 VAL HG13 H 1 0.913 0.02 . 4 . . . . 3 VAL HG1 . 7268 1 31 . 1 1 3 3 VAL HG21 H 1 0.850 0.02 . 4 . . . . 3 VAL HG2 . 7268 1 32 . 1 1 3 3 VAL HG22 H 1 0.850 0.02 . 4 . . . . 3 VAL HG2 . 7268 1 33 . 1 1 3 3 VAL HG23 H 1 0.850 0.02 . 4 . . . . 3 VAL HG2 . 7268 1 34 . 1 1 3 3 VAL C C 13 175.900 0.1 . 1 . . . . 3 VAL C . 7268 1 35 . 1 1 3 3 VAL CA C 13 62.448 0.1 . 1 . . . . 3 VAL CA . 7268 1 36 . 1 1 3 3 VAL CB C 13 33.614 0.1 . 1 . . . . 3 VAL CB . 7268 1 37 . 1 1 3 3 VAL CG1 C 13 20.956 0.1 . 2 . . . . 3 VAL CG1 . 7268 1 38 . 1 1 3 3 VAL CG2 C 13 21.176 0.1 . 2 . . . . 3 VAL CG2 . 7268 1 39 . 1 1 3 3 VAL N N 15 130.723 0.1 . 1 . . . . 3 VAL N . 7268 1 40 . 1 1 4 4 VAL H H 1 8.478 0.02 . 1 . . . . 4 VAL HN . 7268 1 41 . 1 1 4 4 VAL HA H 1 4.620 0.02 . 1 . . . . 4 VAL HA . 7268 1 42 . 1 1 4 4 VAL HB H 1 2.058 0.02 . 1 . . . . 4 VAL HB . 7268 1 43 . 1 1 4 4 VAL HG11 H 1 0.834 0.02 . 1 . . . . 4 VAL HG1 . 7268 1 44 . 1 1 4 4 VAL HG12 H 1 0.834 0.02 . 1 . . . . 4 VAL HG1 . 7268 1 45 . 1 1 4 4 VAL HG13 H 1 0.834 0.02 . 1 . . . . 4 VAL HG1 . 7268 1 46 . 1 1 4 4 VAL HG21 H 1 0.799 0.02 . 1 . . . . 4 VAL HG2 . 7268 1 47 . 1 1 4 4 VAL HG22 H 1 0.799 0.02 . 1 . . . . 4 VAL HG2 . 7268 1 48 . 1 1 4 4 VAL HG23 H 1 0.799 0.02 . 1 . . . . 4 VAL HG2 . 7268 1 49 . 1 1 4 4 VAL C C 13 174.718 0.1 . 1 . . . . 4 VAL C . 7268 1 50 . 1 1 4 4 VAL CA C 13 59.867 0.1 . 1 . . . . 4 VAL CA . 7268 1 51 . 1 1 4 4 VAL CB C 13 34.745 0.1 . 1 . . . . 4 VAL CB . 7268 1 52 . 1 1 4 4 VAL CG1 C 13 19.482 0.1 . 1 . . . . 4 VAL CG1 . 7268 1 53 . 1 1 4 4 VAL CG2 C 13 22.633 0.1 . 1 . . . . 4 VAL CG2 . 7268 1 54 . 1 1 4 4 VAL N N 15 122.716 0.1 . 1 . . . . 4 VAL N . 7268 1 55 . 1 1 5 5 SER H H 1 8.302 0.02 . 1 . . . . 5 SER HN . 7268 1 56 . 1 1 5 5 SER HA H 1 4.858 0.02 . 1 . . . . 5 SER HA . 7268 1 57 . 1 1 5 5 SER HB2 H 1 3.838 0.02 . 2 . . . . 5 SER HB1 . 7268 1 58 . 1 1 5 5 SER HB3 H 1 3.709 0.02 . 2 . . . . 5 SER HB2 . 7268 1 59 . 1 1 5 5 SER CA C 13 56.197 0.1 . 1 . . . . 5 SER CA . 7268 1 60 . 1 1 5 5 SER CB C 13 64.170 0.1 . 1 . . . . 5 SER CB . 7268 1 61 . 1 1 5 5 SER N N 15 119.176 0.1 . 1 . . . . 5 SER N . 7268 1 62 . 1 1 6 6 PRO HA H 1 4.599 0.02 . 1 . . . . 6 PRO HA . 7268 1 63 . 1 1 6 6 PRO HB2 H 1 2.146 0.02 . 2 . . . . 6 PRO HB1 . 7268 1 64 . 1 1 6 6 PRO HB3 H 1 1.615 0.02 . 2 . . . . 6 PRO HB2 . 7268 1 65 . 1 1 6 6 PRO HG2 H 1 2.003 0.02 . 2 . . . . 6 PRO HG1 . 7268 1 66 . 1 1 6 6 PRO HD2 H 1 3.800 0.02 . 2 . . . . 6 PRO HD1 . 7268 1 67 . 1 1 6 6 PRO HD3 H 1 3.597 0.02 . 2 . . . . 6 PRO HD2 . 7268 1 68 . 1 1 6 6 PRO C C 13 176.724 0.1 . 1 . . . . 6 PRO C . 7268 1 69 . 1 1 6 6 PRO CA C 13 63.686 0.1 . 1 . . . . 6 PRO CA . 7268 1 70 . 1 1 6 6 PRO CB C 13 32.069 0.1 . 1 . . . . 6 PRO CB . 7268 1 71 . 1 1 6 6 PRO CG C 13 27.508 0.1 . 1 . . . . 6 PRO CG . 7268 1 72 . 1 1 6 6 PRO CD C 13 50.586 0.1 . 1 . . . . 6 PRO CD . 7268 1 73 . 1 1 7 7 ILE H H 1 8.583 0.02 . 1 . . . . 7 ILE HN . 7268 1 74 . 1 1 7 7 ILE HA H 1 4.091 0.02 . 1 . . . . 7 ILE HA . 7268 1 75 . 1 1 7 7 ILE HB H 1 1.660 0.02 . 1 . . . . 7 ILE HB . 7268 1 76 . 1 1 7 7 ILE HG12 H 1 1.770 0.02 . 2 . . . . 7 ILE HG11 . 7268 1 77 . 1 1 7 7 ILE HG13 H 1 0.954 0.02 . 2 . . . . 7 ILE HG12 . 7268 1 78 . 1 1 7 7 ILE HG21 H 1 0.641 0.02 . 1 . . . . 7 ILE HG2 . 7268 1 79 . 1 1 7 7 ILE HG22 H 1 0.641 0.02 . 1 . . . . 7 ILE HG2 . 7268 1 80 . 1 1 7 7 ILE HG23 H 1 0.641 0.02 . 1 . . . . 7 ILE HG2 . 7268 1 81 . 1 1 7 7 ILE HD11 H 1 0.495 0.02 . 1 . . . . 7 ILE HD1 . 7268 1 82 . 1 1 7 7 ILE HD12 H 1 0.495 0.02 . 1 . . . . 7 ILE HD1 . 7268 1 83 . 1 1 7 7 ILE HD13 H 1 0.495 0.02 . 1 . . . . 7 ILE HD1 . 7268 1 84 . 1 1 7 7 ILE C C 13 173.325 0.1 . 1 . . . . 7 ILE C . 7268 1 85 . 1 1 7 7 ILE CA C 13 61.079 0.1 . 1 . . . . 7 ILE CA . 7268 1 86 . 1 1 7 7 ILE CB C 13 39.530 0.1 . 1 . . . . 7 ILE CB . 7268 1 87 . 1 1 7 7 ILE CG1 C 13 27.451 0.1 . 1 . . . . 7 ILE CG1 . 7268 1 88 . 1 1 7 7 ILE CG2 C 13 16.861 0.1 . 1 . . . . 7 ILE CG2 . 7268 1 89 . 1 1 7 7 ILE CD1 C 13 13.173 0.1 . 1 . . . . 7 ILE CD1 . 7268 1 90 . 1 1 7 7 ILE N N 15 125.150 0.1 . 1 . . . . 7 ILE N . 7268 1 91 . 1 1 8 8 LEU H H 1 8.491 0.02 . 1 . . . . 8 LEU HN . 7268 1 92 . 1 1 8 8 LEU HA H 1 5.322 0.02 . 1 . . . . 8 LEU HA . 7268 1 93 . 1 1 8 8 LEU HB2 H 1 1.694 0.02 . 1 . . . . 8 LEU HB1 . 7268 1 94 . 1 1 8 8 LEU HB3 H 1 1.303 0.02 . 1 . . . . 8 LEU HB2 . 7268 1 95 . 1 1 8 8 LEU HG H 1 1.603 0.02 . 1 . . . . 8 LEU HG . 7268 1 96 . 1 1 8 8 LEU HD11 H 1 0.831 0.02 . 4 . . . . 8 LEU HD1 . 7268 1 97 . 1 1 8 8 LEU HD12 H 1 0.831 0.02 . 4 . . . . 8 LEU HD1 . 7268 1 98 . 1 1 8 8 LEU HD13 H 1 0.831 0.02 . 4 . . . . 8 LEU HD1 . 7268 1 99 . 1 1 8 8 LEU HD21 H 1 0.782 0.02 . 4 . . . . 8 LEU HD2 . 7268 1 100 . 1 1 8 8 LEU HD22 H 1 0.782 0.02 . 4 . . . . 8 LEU HD2 . 7268 1 101 . 1 1 8 8 LEU HD23 H 1 0.782 0.02 . 4 . . . . 8 LEU HD2 . 7268 1 102 . 1 1 8 8 LEU C C 13 177.343 0.1 . 1 . . . . 8 LEU C . 7268 1 103 . 1 1 8 8 LEU CA C 13 53.782 0.1 . 1 . . . . 8 LEU CA . 7268 1 104 . 1 1 8 8 LEU CB C 13 42.222 0.1 . 1 . . . . 8 LEU CB . 7268 1 105 . 1 1 8 8 LEU CG C 13 28.471 0.1 . 1 . . . . 8 LEU CG . 7268 1 106 . 1 1 8 8 LEU CD1 C 13 24.853 0.1 . 2 . . . . 8 LEU CD1 . 7268 1 107 . 1 1 8 8 LEU CD2 C 13 24.782 0.1 . 2 . . . . 8 LEU CD2 . 7268 1 108 . 1 1 8 8 LEU N N 15 128.850 0.1 . 1 . . . . 8 LEU N . 7268 1 109 . 1 1 9 9 ILE H H 1 9.057 0.02 . 1 . . . . 9 ILE HN . 7268 1 110 . 1 1 9 9 ILE HA H 1 4.663 0.02 . 1 . . . . 9 ILE HA . 7268 1 111 . 1 1 9 9 ILE HB H 1 1.582 0.02 . 1 . . . . 9 ILE HB . 7268 1 112 . 1 1 9 9 ILE HG12 H 1 1.507 0.02 . 2 . . . . 9 ILE HG11 . 7268 1 113 . 1 1 9 9 ILE HG13 H 1 0.831 0.02 . 2 . . . . 9 ILE HG12 . 7268 1 114 . 1 1 9 9 ILE HG21 H 1 0.956 0.02 . 1 . . . . 9 ILE HG2 . 7268 1 115 . 1 1 9 9 ILE HG22 H 1 0.956 0.02 . 1 . . . . 9 ILE HG2 . 7268 1 116 . 1 1 9 9 ILE HG23 H 1 0.956 0.02 . 1 . . . . 9 ILE HG2 . 7268 1 117 . 1 1 9 9 ILE HD11 H 1 0.837 0.02 . 1 . . . . 9 ILE HD1 . 7268 1 118 . 1 1 9 9 ILE HD12 H 1 0.837 0.02 . 1 . . . . 9 ILE HD1 . 7268 1 119 . 1 1 9 9 ILE HD13 H 1 0.837 0.02 . 1 . . . . 9 ILE HD1 . 7268 1 120 . 1 1 9 9 ILE CA C 13 57.860 0.1 . 1 . . . . 9 ILE CA . 7268 1 121 . 1 1 9 9 ILE CB C 13 42.333 0.1 . 1 . . . . 9 ILE CB . 7268 1 122 . 1 1 9 9 ILE CG1 C 13 27.453 0.1 . 1 . . . . 9 ILE CG1 . 7268 1 123 . 1 1 9 9 ILE CG2 C 13 16.455 0.1 . 1 . . . . 9 ILE CG2 . 7268 1 124 . 1 1 9 9 ILE CD1 C 13 16.622 0.1 . 1 . . . . 9 ILE CD1 . 7268 1 125 . 1 1 9 9 ILE N N 15 124.193 0.1 . 1 . . . . 9 ILE N . 7268 1 126 . 1 1 10 10 PRO HA H 1 4.440 0.02 . 1 . . . . 10 PRO HA . 7268 1 127 . 1 1 10 10 PRO HB2 H 1 2.233 0.02 . 2 . . . . 10 PRO HB1 . 7268 1 128 . 1 1 10 10 PRO HB3 H 1 1.913 0.02 . 2 . . . . 10 PRO HB2 . 7268 1 129 . 1 1 10 10 PRO HG2 H 1 2.128 0.02 . 2 . . . . 10 PRO HG1 . 7268 1 130 . 1 1 10 10 PRO HG3 H 1 1.913 0.02 . 2 . . . . 10 PRO HG2 . 7268 1 131 . 1 1 10 10 PRO HD2 H 1 3.757 0.02 . 2 . . . . 10 PRO HD1 . 7268 1 132 . 1 1 10 10 PRO HD3 H 1 3.706 0.02 . 2 . . . . 10 PRO HD2 . 7268 1 133 . 1 1 10 10 PRO C C 13 176.626 0.1 . 1 . . . . 10 PRO C . 7268 1 134 . 1 1 10 10 PRO CA C 13 62.418 0.1 . 1 . . . . 10 PRO CA . 7268 1 135 . 1 1 10 10 PRO CB C 13 32.597 0.1 . 1 . . . . 10 PRO CB . 7268 1 136 . 1 1 10 10 PRO CG C 13 27.983 0.1 . 1 . . . . 10 PRO CG . 7268 1 137 . 1 1 10 10 PRO CD C 13 50.917 0.1 . 1 . . . . 10 PRO CD . 7268 1 138 . 1 1 11 11 GLU H H 1 8.366 0.02 . 1 . . . . 11 GLU HN . 7268 1 139 . 1 1 11 11 GLU HA H 1 4.057 0.02 . 1 . . . . 11 GLU HA . 7268 1 140 . 1 1 11 11 GLU HB2 H 1 2.270 0.02 . 2 . . . . 11 GLU HB1 . 7268 1 141 . 1 1 11 11 GLU HB3 H 1 1.880 0.02 . 2 . . . . 11 GLU HB2 . 7268 1 142 . 1 1 11 11 GLU HG2 H 1 2.489 0.02 . 2 . . . . 11 GLU HG1 . 7268 1 143 . 1 1 11 11 GLU HG3 H 1 2.189 0.02 . 2 . . . . 11 GLU HG2 . 7268 1 144 . 1 1 11 11 GLU C C 13 175.229 0.1 . 1 . . . . 11 GLU C . 7268 1 145 . 1 1 11 11 GLU CA C 13 55.908 0.1 . 1 . . . . 11 GLU CA . 7268 1 146 . 1 1 11 11 GLU CB C 13 30.161 0.1 . 1 . . . . 11 GLU CB . 7268 1 147 . 1 1 11 11 GLU CG C 13 35.306 0.1 . 1 . . . . 11 GLU CG . 7268 1 148 . 1 1 11 11 GLU N N 15 120.044 0.1 . 1 . . . . 11 GLU N . 7268 1 149 . 1 1 12 12 ASN H H 1 8.852 0.02 . 1 . . . . 12 ASN HN . 7268 1 150 . 1 1 12 12 ASN HA H 1 4.435 0.02 . 1 . . . . 12 ASN HA . 7268 1 151 . 1 1 12 12 ASN HB2 H 1 3.012 0.02 . 2 . . . . 12 ASN HB1 . 7268 1 152 . 1 1 12 12 ASN HB3 H 1 2.766 0.02 . 2 . . . . 12 ASN HB2 . 7268 1 153 . 1 1 12 12 ASN HD21 H 1 7.467 0.02 . 2 . . . . 12 ASN HD21 . 7268 1 154 . 1 1 12 12 ASN HD22 H 1 6.870 0.02 . 2 . . . . 12 ASN HD22 . 7268 1 155 . 1 1 12 12 ASN C C 13 175.657 0.1 . 1 . . . . 12 ASN C . 7268 1 156 . 1 1 12 12 ASN CA C 13 54.305 0.1 . 1 . . . . 12 ASN CA . 7268 1 157 . 1 1 12 12 ASN CB C 13 37.366 0.1 . 1 . . . . 12 ASN CB . 7268 1 158 . 1 1 12 12 ASN N N 15 114.791 0.1 . 1 . . . . 12 ASN N . 7268 1 159 . 1 1 12 12 ASN ND2 N 15 111.824 0.1 . 1 . . . . 12 ASN ND2 . 7268 1 160 . 1 1 13 13 GLN H H 1 9.213 0.02 . 1 . . . . 13 GLN HN . 7268 1 161 . 1 1 13 13 GLN HA H 1 4.097 0.02 . 1 . . . . 13 GLN HA . 7268 1 162 . 1 1 13 13 GLN HB2 H 1 2.362 0.02 . 2 . . . . 13 GLN HB1 . 7268 1 163 . 1 1 13 13 GLN HB3 H 1 1.909 0.02 . 2 . . . . 13 GLN HB2 . 7268 1 164 . 1 1 13 13 GLN HG2 H 1 2.755 0.02 . 2 . . . . 13 GLN HG1 . 7268 1 165 . 1 1 13 13 GLN HG3 H 1 2.264 0.02 . 2 . . . . 13 GLN HG2 . 7268 1 166 . 1 1 13 13 GLN HE21 H 1 7.357 0.02 . 2 . . . . 13 GLN HE21 . 7268 1 167 . 1 1 13 13 GLN HE22 H 1 6.013 0.02 . 2 . . . . 13 GLN HE22 . 7268 1 168 . 1 1 13 13 GLN C C 13 176.223 0.1 . 1 . . . . 13 GLN C . 7268 1 169 . 1 1 13 13 GLN CA C 13 58.077 0.1 . 1 . . . . 13 GLN CA . 7268 1 170 . 1 1 13 13 GLN CB C 13 30.483 0.1 . 1 . . . . 13 GLN CB . 7268 1 171 . 1 1 13 13 GLN CG C 13 34.988 0.1 . 1 . . . . 13 GLN CG . 7268 1 172 . 1 1 13 13 GLN N N 15 118.217 0.1 . 1 . . . . 13 GLN N . 7268 1 173 . 1 1 13 13 GLN NE2 N 15 108.188 0.1 . 1 . . . . 13 GLN NE2 . 7268 1 174 . 1 1 14 14 ARG H H 1 8.436 0.02 . 1 . . . . 14 ARG HN . 7268 1 175 . 1 1 14 14 ARG HA H 1 4.438 0.02 . 1 . . . . 14 ARG HA . 7268 1 176 . 1 1 14 14 ARG HB2 H 1 1.954 0.02 . 1 . . . . 14 ARG HB1 . 7268 1 177 . 1 1 14 14 ARG HB3 H 1 1.635 0.02 . 1 . . . . 14 ARG HB2 . 7268 1 178 . 1 1 14 14 ARG HG2 H 1 1.717 0.02 . 2 . . . . 14 ARG HG1 . 7268 1 179 . 1 1 14 14 ARG HD2 H 1 3.183 0.02 . 2 . . . . 14 ARG HD1 . 7268 1 180 . 1 1 14 14 ARG C C 13 175.142 0.1 . 1 . . . . 14 ARG C . 7268 1 181 . 1 1 14 14 ARG CA C 13 54.966 0.1 . 1 . . . . 14 ARG CA . 7268 1 182 . 1 1 14 14 ARG CB C 13 32.326 0.1 . 1 . . . . 14 ARG CB . 7268 1 183 . 1 1 14 14 ARG CG C 13 27.416 0.1 . 1 . . . . 14 ARG CG . 7268 1 184 . 1 1 14 14 ARG CD C 13 43.170 0.1 . 1 . . . . 14 ARG CD . 7268 1 185 . 1 1 14 14 ARG N N 15 121.490 0.1 . 1 . . . . 14 ARG N . 7268 1 186 . 1 1 15 15 GLN H H 1 8.063 0.02 . 1 . . . . 15 GLN HN . 7268 1 187 . 1 1 15 15 GLN HA H 1 3.302 0.02 . 1 . . . . 15 GLN HA . 7268 1 188 . 1 1 15 15 GLN HB2 H 1 2.085 0.02 . 2 . . . . 15 GLN HB1 . 7268 1 189 . 1 1 15 15 GLN HB3 H 1 1.960 0.02 . 2 . . . . 15 GLN HB2 . 7268 1 190 . 1 1 15 15 GLN HG2 H 1 2.517 0.02 . 2 . . . . 15 GLN HG1 . 7268 1 191 . 1 1 15 15 GLN HE21 H 1 7.671 0.02 . 2 . . . . 15 GLN HE21 . 7268 1 192 . 1 1 15 15 GLN HE22 H 1 7.022 0.02 . 2 . . . . 15 GLN HE22 . 7268 1 193 . 1 1 15 15 GLN CA C 13 55.104 0.1 . 1 . . . . 15 GLN CA . 7268 1 194 . 1 1 15 15 GLN CB C 13 27.152 0.1 . 1 . . . . 15 GLN CB . 7268 1 195 . 1 1 15 15 GLN CG C 13 33.307 0.1 . 1 . . . . 15 GLN CG . 7268 1 196 . 1 1 15 15 GLN N N 15 118.001 0.1 . 1 . . . . 15 GLN N . 7268 1 197 . 1 1 15 15 GLN NE2 N 15 111.961 0.1 . 1 . . . . 15 GLN NE2 . 7268 1 198 . 1 1 16 16 PRO HA H 1 4.551 0.02 . 1 . . . . 16 PRO HA . 7268 1 199 . 1 1 16 16 PRO HB2 H 1 2.271 0.02 . 2 . . . . 16 PRO HB1 . 7268 1 200 . 1 1 16 16 PRO HB3 H 1 1.950 0.02 . 2 . . . . 16 PRO HB2 . 7268 1 201 . 1 1 16 16 PRO HG2 H 1 2.080 0.02 . 2 . . . . 16 PRO HG1 . 7268 1 202 . 1 1 16 16 PRO HG3 H 1 1.950 0.02 . 2 . . . . 16 PRO HG2 . 7268 1 203 . 1 1 16 16 PRO HD2 H 1 3.302 0.02 . 2 . . . . 16 PRO HD1 . 7268 1 204 . 1 1 16 16 PRO HD3 H 1 3.251 0.02 . 2 . . . . 16 PRO HD2 . 7268 1 205 . 1 1 16 16 PRO C C 13 173.732 0.1 . 1 . . . . 16 PRO C . 7268 1 206 . 1 1 16 16 PRO CA C 13 61.979 0.1 . 1 . . . . 16 PRO CA . 7268 1 207 . 1 1 16 16 PRO CB C 13 35.314 0.1 . 1 . . . . 16 PRO CB . 7268 1 208 . 1 1 16 16 PRO CG C 13 27.200 0.1 . 1 . . . . 16 PRO CG . 7268 1 209 . 1 1 16 16 PRO CD C 13 55.104 0.1 . 1 . . . . 16 PRO CD . 7268 1 210 . 1 1 17 17 PHE H H 1 8.122 0.02 . 1 . . . . 17 PHE HN . 7268 1 211 . 1 1 17 17 PHE HA H 1 4.272 0.02 . 1 . . . . 17 PHE HA . 7268 1 212 . 1 1 17 17 PHE HB2 H 1 2.844 0.02 . 1 . . . . 17 PHE HB1 . 7268 1 213 . 1 1 17 17 PHE HB3 H 1 2.422 0.02 . 1 . . . . 17 PHE HB2 . 7268 1 214 . 1 1 17 17 PHE HD1 H 1 6.989 0.02 . 3 . . . . 17 PHE HD1 . 7268 1 215 . 1 1 17 17 PHE HE1 H 1 6.760 0.02 . 3 . . . . 17 PHE HE1 . 7268 1 216 . 1 1 17 17 PHE CA C 13 56.524 0.1 . 1 . . . . 17 PHE CA . 7268 1 217 . 1 1 17 17 PHE CB C 13 41.594 0.1 . 1 . . . . 17 PHE CB . 7268 1 218 . 1 1 17 17 PHE CD1 C 13 131.090 0.1 . 3 . . . . 17 PHE CD1 . 7268 1 219 . 1 1 17 17 PHE CE1 C 13 130.329 0.1 . 3 . . . . 17 PHE CE1 . 7268 1 220 . 1 1 17 17 PHE N N 15 116.702 0.1 . 1 . . . . 17 PHE N . 7268 1 221 . 1 1 18 18 PRO HA H 1 5.180 0.02 . 1 . . . . 18 PRO HA . 7268 1 222 . 1 1 18 18 PRO HB2 H 1 2.129 0.02 . 2 . . . . 18 PRO HB1 . 7268 1 223 . 1 1 18 18 PRO HB3 H 1 2.068 0.02 . 2 . . . . 18 PRO HB2 . 7268 1 224 . 1 1 18 18 PRO HG2 H 1 1.844 0.02 . 2 . . . . 18 PRO HG1 . 7268 1 225 . 1 1 18 18 PRO HG3 H 1 1.785 0.02 . 2 . . . . 18 PRO HG2 . 7268 1 226 . 1 1 18 18 PRO HD2 H 1 3.568 0.02 . 2 . . . . 18 PRO HD1 . 7268 1 227 . 1 1 18 18 PRO CA C 13 62.271 0.1 . 1 . . . . 18 PRO CA . 7268 1 228 . 1 1 18 18 PRO CB C 13 35.845 0.1 . 1 . . . . 18 PRO CB . 7268 1 229 . 1 1 18 18 PRO CG C 13 25.268 0.1 . 1 . . . . 18 PRO CG . 7268 1 230 . 1 1 18 18 PRO CD C 13 50.939 0.1 . 1 . . . . 18 PRO CD . 7268 1 231 . 1 1 19 19 ARG H H 1 8.544 0.02 . 1 . . . . 19 ARG HN . 7268 1 232 . 1 1 19 19 ARG HA H 1 4.700 0.02 . 1 . . . . 19 ARG HA . 7268 1 233 . 1 1 19 19 ARG HB2 H 1 1.723 0.02 . 2 . . . . 19 ARG HB1 . 7268 1 234 . 1 1 19 19 ARG HB3 H 1 1.582 0.02 . 2 . . . . 19 ARG HB2 . 7268 1 235 . 1 1 19 19 ARG HG2 H 1 1.507 0.02 . 2 . . . . 19 ARG HG1 . 7268 1 236 . 1 1 19 19 ARG HG3 H 1 1.456 0.02 . 2 . . . . 19 ARG HG2 . 7268 1 237 . 1 1 19 19 ARG HD2 H 1 3.007 0.02 . 2 . . . . 19 ARG HD1 . 7268 1 238 . 1 1 19 19 ARG HD3 H 1 2.854 0.02 . 2 . . . . 19 ARG HD3 . 7268 1 239 . 1 1 19 19 ARG C C 13 175.185 0.1 . 1 . . . . 19 ARG C . 7268 1 240 . 1 1 19 19 ARG CA C 13 54.758 0.1 . 1 . . . . 19 ARG CA . 7268 1 241 . 1 1 19 19 ARG CB C 13 33.809 0.1 . 1 . . . . 19 ARG CB . 7268 1 242 . 1 1 19 19 ARG CG C 13 27.539 0.1 . 1 . . . . 19 ARG CG . 7268 1 243 . 1 1 19 19 ARG CD C 13 42.987 0.1 . 1 . . . . 19 ARG CD . 7268 1 244 . 1 1 19 19 ARG N N 15 118.523 0.1 . 1 . . . . 19 ARG N . 7268 1 245 . 1 1 20 20 ASP H H 1 8.913 0.02 . 1 . . . . 20 ASP HN . 7268 1 246 . 1 1 20 20 ASP HA H 1 4.841 0.02 . 1 . . . . 20 ASP HA . 7268 1 247 . 1 1 20 20 ASP HB2 H 1 2.675 0.02 . 2 . . . . 20 ASP HB1 . 7268 1 248 . 1 1 20 20 ASP HB3 H 1 2.565 0.02 . 2 . . . . 20 ASP HB2 . 7268 1 249 . 1 1 20 20 ASP C C 13 177.651 0.1 . 1 . . . . 20 ASP C . 7268 1 250 . 1 1 20 20 ASP CA C 13 55.514 0.1 . 1 . . . . 20 ASP CA . 7268 1 251 . 1 1 20 20 ASP CB C 13 40.416 0.1 . 1 . . . . 20 ASP CB . 7268 1 252 . 1 1 20 20 ASP N N 15 125.313 0.1 . 1 . . . . 20 ASP N . 7268 1 253 . 1 1 21 21 VAL H H 1 9.340 0.02 . 1 . . . . 21 VAL HN . 7268 1 254 . 1 1 21 21 VAL HA H 1 4.676 0.02 . 1 . . . . 21 VAL HA . 7268 1 255 . 1 1 21 21 VAL HB H 1 2.327 0.02 . 1 . . . . 21 VAL HB . 7268 1 256 . 1 1 21 21 VAL HG11 H 1 1.025 0.02 . 1 . . . . 21 VAL HG1 . 7268 1 257 . 1 1 21 21 VAL HG12 H 1 1.025 0.02 . 1 . . . . 21 VAL HG1 . 7268 1 258 . 1 1 21 21 VAL HG13 H 1 1.025 0.02 . 1 . . . . 21 VAL HG1 . 7268 1 259 . 1 1 21 21 VAL HG21 H 1 0.671 0.02 . 1 . . . . 21 VAL HG2 . 7268 1 260 . 1 1 21 21 VAL HG22 H 1 0.671 0.02 . 1 . . . . 21 VAL HG2 . 7268 1 261 . 1 1 21 21 VAL HG23 H 1 0.671 0.02 . 1 . . . . 21 VAL HG2 . 7268 1 262 . 1 1 21 21 VAL C C 13 175.071 0.1 . 1 . . . . 21 VAL C . 7268 1 263 . 1 1 21 21 VAL CA C 13 60.753 0.1 . 1 . . . . 21 VAL CA . 7268 1 264 . 1 1 21 21 VAL CB C 13 33.672 0.1 . 1 . . . . 21 VAL CB . 7268 1 265 . 1 1 21 21 VAL CG1 C 13 22.732 0.1 . 1 . . . . 21 VAL CG1 . 7268 1 266 . 1 1 21 21 VAL CG2 C 13 18.724 0.1 . 1 . . . . 21 VAL CG2 . 7268 1 267 . 1 1 21 21 VAL N N 15 113.689 0.1 . 1 . . . . 21 VAL N . 7268 1 268 . 1 1 22 22 GLY H H 1 7.751 0.02 . 1 . . . . 22 GLY HN . 7268 1 269 . 1 1 22 22 GLY HA2 H 1 4.149 0.02 . 2 . . . . 22 GLY HA1 . 7268 1 270 . 1 1 22 22 GLY HA3 H 1 3.900 0.02 . 2 . . . . 22 GLY HA2 . 7268 1 271 . 1 1 22 22 GLY C C 13 171.382 0.1 . 1 . . . . 22 GLY C . 7268 1 272 . 1 1 22 22 GLY CA C 13 45.514 0.1 . 1 . . . . 22 GLY CA . 7268 1 273 . 1 1 22 22 GLY N N 15 107.336 0.1 . 1 . . . . 22 GLY N . 7268 1 274 . 1 1 23 23 LYS H H 1 8.848 0.02 . 1 . . . . 23 LYS HN . 7268 1 275 . 1 1 23 23 LYS HA H 1 4.891 0.02 . 1 . . . . 23 LYS HA . 7268 1 276 . 1 1 23 23 LYS HB2 H 1 1.638 0.02 . 2 . . . . 23 LYS HB1 . 7268 1 277 . 1 1 23 23 LYS HB3 H 1 1.567 0.02 . 2 . . . . 23 LYS HB2 . 7268 1 278 . 1 1 23 23 LYS HG2 H 1 1.176 0.02 . 2 . . . . 23 LYS HG1 . 7268 1 279 . 1 1 23 23 LYS HG3 H 1 0.986 0.02 . 2 . . . . 23 LYS HG2 . 7268 1 280 . 1 1 23 23 LYS HD2 H 1 1.515 0.02 . 2 . . . . 23 LYS HD1 . 7268 1 281 . 1 1 23 23 LYS HE2 H 1 2.856 0.02 . 2 . . . . 23 LYS HE1 . 7268 1 282 . 1 1 23 23 LYS C C 13 174.129 0.1 . 1 . . . . 23 LYS C . 7268 1 283 . 1 1 23 23 LYS CA C 13 56.099 0.1 . 1 . . . . 23 LYS CA . 7268 1 284 . 1 1 23 23 LYS CB C 13 35.734 0.1 . 1 . . . . 23 LYS CB . 7268 1 285 . 1 1 23 23 LYS CG C 13 24.248 0.1 . 1 . . . . 23 LYS CG . 7268 1 286 . 1 1 23 23 LYS CD C 13 29.477 0.1 . 1 . . . . 23 LYS CD . 7268 1 287 . 1 1 23 23 LYS CE C 13 42.142 0.1 . 1 . . . . 23 LYS CE . 7268 1 288 . 1 1 23 23 LYS N N 15 120.466 0.1 . 1 . . . . 23 LYS N . 7268 1 289 . 1 1 24 24 VAL H H 1 8.056 0.02 . 1 . . . . 24 VAL HN . 7268 1 290 . 1 1 24 24 VAL HA H 1 3.991 0.02 . 1 . . . . 24 VAL HA . 7268 1 291 . 1 1 24 24 VAL HB H 1 1.319 0.02 . 1 . . . . 24 VAL HB . 7268 1 292 . 1 1 24 24 VAL HG11 H 1 0.661 0.02 . 1 . . . . 24 VAL HG1 . 7268 1 293 . 1 1 24 24 VAL HG12 H 1 0.661 0.02 . 1 . . . . 24 VAL HG1 . 7268 1 294 . 1 1 24 24 VAL HG13 H 1 0.661 0.02 . 1 . . . . 24 VAL HG1 . 7268 1 295 . 1 1 24 24 VAL HG21 H 1 0.536 0.02 . 1 . . . . 24 VAL HG2 . 7268 1 296 . 1 1 24 24 VAL HG22 H 1 0.536 0.02 . 1 . . . . 24 VAL HG2 . 7268 1 297 . 1 1 24 24 VAL HG23 H 1 0.536 0.02 . 1 . . . . 24 VAL HG2 . 7268 1 298 . 1 1 24 24 VAL C C 13 173.545 0.1 . 1 . . . . 24 VAL C . 7268 1 299 . 1 1 24 24 VAL CA C 13 61.686 0.1 . 1 . . . . 24 VAL CA . 7268 1 300 . 1 1 24 24 VAL CB C 13 32.578 0.1 . 1 . . . . 24 VAL CB . 7268 1 301 . 1 1 24 24 VAL CG1 C 13 22.615 0.1 . 1 . . . . 24 VAL CG1 . 7268 1 302 . 1 1 24 24 VAL CG2 C 13 20.880 0.1 . 1 . . . . 24 VAL CG2 . 7268 1 303 . 1 1 24 24 VAL N N 15 124.676 0.1 . 1 . . . . 24 VAL N . 7268 1 304 . 1 1 25 25 VAL H H 1 7.576 0.02 . 1 . . . . 25 VAL HN . 7268 1 305 . 1 1 25 25 VAL HA H 1 4.221 0.02 . 1 . . . . 25 VAL HA . 7268 1 306 . 1 1 25 25 VAL HB H 1 1.930 0.02 . 1 . . . . 25 VAL HB . 7268 1 307 . 1 1 25 25 VAL HG11 H 1 0.892 0.02 . 4 . . . . 25 VAL HG1 . 7268 1 308 . 1 1 25 25 VAL HG12 H 1 0.892 0.02 . 4 . . . . 25 VAL HG1 . 7268 1 309 . 1 1 25 25 VAL HG13 H 1 0.892 0.02 . 4 . . . . 25 VAL HG1 . 7268 1 310 . 1 1 25 25 VAL HG21 H 1 0.841 0.02 . 4 . . . . 25 VAL HG2 . 7268 1 311 . 1 1 25 25 VAL HG22 H 1 0.841 0.02 . 4 . . . . 25 VAL HG2 . 7268 1 312 . 1 1 25 25 VAL HG23 H 1 0.841 0.02 . 4 . . . . 25 VAL HG2 . 7268 1 313 . 1 1 25 25 VAL C C 13 174.269 0.1 . 1 . . . . 25 VAL C . 7268 1 314 . 1 1 25 25 VAL CA C 13 60.867 0.1 . 1 . . . . 25 VAL CA . 7268 1 315 . 1 1 25 25 VAL CB C 13 35.813 0.1 . 1 . . . . 25 VAL CB . 7268 1 316 . 1 1 25 25 VAL CG1 C 13 20.853 0.1 . 2 . . . . 25 VAL CG1 . 7268 1 317 . 1 1 25 25 VAL CG2 C 13 21.205 0.1 . 2 . . . . 25 VAL CG2 . 7268 1 318 . 1 1 25 25 VAL N N 15 122.532 0.1 . 1 . . . . 25 VAL N . 7268 1 319 . 1 1 26 26 ASP H H 1 8.621 0.02 . 1 . . . . 26 ASP HN . 7268 1 320 . 1 1 26 26 ASP HA H 1 4.997 0.02 . 1 . . . . 26 ASP HA . 7268 1 321 . 1 1 26 26 ASP HB2 H 1 2.634 0.02 . 1 . . . . 26 ASP HB1 . 7268 1 322 . 1 1 26 26 ASP HB3 H 1 2.398 0.02 . 1 . . . . 26 ASP HB2 . 7268 1 323 . 1 1 26 26 ASP C C 13 177.364 0.1 . 1 . . . . 26 ASP C . 7268 1 324 . 1 1 26 26 ASP CA C 13 53.497 0.1 . 1 . . . . 26 ASP CA . 7268 1 325 . 1 1 26 26 ASP CB C 13 42.506 0.1 . 1 . . . . 26 ASP CB . 7268 1 326 . 1 1 26 26 ASP N N 15 122.498 0.1 . 1 . . . . 26 ASP N . 7268 1 327 . 1 1 27 27 SER H H 1 8.954 0.02 . 1 . . . . 27 SER HN . 7268 1 328 . 1 1 27 27 SER HA H 1 4.210 0.02 . 1 . . . . 27 SER HA . 7268 1 329 . 1 1 27 27 SER HB2 H 1 3.970 0.02 . 2 . . . . 27 SER HB1 . 7268 1 330 . 1 1 27 27 SER HB3 H 1 3.817 0.02 . 2 . . . . 27 SER HB2 . 7268 1 331 . 1 1 27 27 SER C C 13 174.420 0.1 . 1 . . . . 27 SER C . 7268 1 332 . 1 1 27 27 SER CA C 13 60.224 0.1 . 1 . . . . 27 SER CA . 7268 1 333 . 1 1 27 27 SER CB C 13 63.524 0.1 . 1 . . . . 27 SER CB . 7268 1 334 . 1 1 27 27 SER N N 15 120.886 0.1 . 1 . . . . 27 SER N . 7268 1 335 . 1 1 28 28 ASP H H 1 8.467 0.02 . 1 . . . . 28 ASP HN . 7268 1 336 . 1 1 28 28 ASP HA H 1 4.760 0.02 . 1 . . . . 28 ASP HA . 7268 1 337 . 1 1 28 28 ASP HB2 H 1 2.706 0.02 . 2 . . . . 28 ASP HB1 . 7268 1 338 . 1 1 28 28 ASP HB3 H 1 2.351 0.02 . 2 . . . . 28 ASP HB2 . 7268 1 339 . 1 1 28 28 ASP C C 13 175.064 0.1 . 1 . . . . 28 ASP C . 7268 1 340 . 1 1 28 28 ASP CA C 13 53.622 0.1 . 1 . . . . 28 ASP CA . 7268 1 341 . 1 1 28 28 ASP CB C 13 41.591 0.1 . 1 . . . . 28 ASP CB . 7268 1 342 . 1 1 28 28 ASP N N 15 121.319 0.1 . 1 . . . . 28 ASP N . 7268 1 343 . 1 1 29 29 ARG H H 1 7.291 0.02 . 1 . . . . 29 ARG HN . 7268 1 344 . 1 1 29 29 ARG HA H 1 4.313 0.02 . 1 . . . . 29 ARG HA . 7268 1 345 . 1 1 29 29 ARG HB2 H 1 1.758 0.02 . 1 . . . . 29 ARG HB1 . 7268 1 346 . 1 1 29 29 ARG HB3 H 1 1.655 0.02 . 1 . . . . 29 ARG HB2 . 7268 1 347 . 1 1 29 29 ARG HG2 H 1 1.600 0.02 . 2 . . . . 29 ARG HG1 . 7268 1 348 . 1 1 29 29 ARG HG3 H 1 1.225 0.02 . 2 . . . . 29 ARG HG2 . 7268 1 349 . 1 1 29 29 ARG HD2 H 1 2.898 0.02 . 2 . . . . 29 ARG HD1 . 7268 1 350 . 1 1 29 29 ARG HD3 H 1 2.741 0.02 . 2 . . . . 29 ARG HD2 . 7268 1 351 . 1 1 29 29 ARG CA C 13 54.361 0.1 . 1 . . . . 29 ARG CA . 7268 1 352 . 1 1 29 29 ARG CB C 13 30.013 0.1 . 1 . . . . 29 ARG CB . 7268 1 353 . 1 1 29 29 ARG CG C 13 26.161 0.1 . 1 . . . . 29 ARG CG . 7268 1 354 . 1 1 29 29 ARG CD C 13 43.818 0.1 . 1 . . . . 29 ARG CD . 7268 1 355 . 1 1 29 29 ARG N N 15 121.943 0.1 . 1 . . . . 29 ARG N . 7268 1 356 . 1 1 30 30 PRO HA H 1 4.466 0.02 . 1 . . . . 30 PRO HA . 7268 1 357 . 1 1 30 30 PRO HB2 H 1 2.336 0.02 . 2 . . . . 30 PRO HB1 . 7268 1 358 . 1 1 30 30 PRO HB3 H 1 1.708 0.02 . 2 . . . . 30 PRO HB2 . 7268 1 359 . 1 1 30 30 PRO HG2 H 1 1.994 0.02 . 2 . . . . 30 PRO HG1 . 7268 1 360 . 1 1 30 30 PRO HG3 H 1 1.845 0.02 . 2 . . . . 30 PRO HG2 . 7268 1 361 . 1 1 30 30 PRO HD2 H 1 3.967 0.02 . 2 . . . . 30 PRO HD1 . 7268 1 362 . 1 1 30 30 PRO HD3 H 1 3.327 0.02 . 2 . . . . 30 PRO HD2 . 7268 1 363 . 1 1 30 30 PRO CA C 13 62.485 0.1 . 1 . . . . 30 PRO CA . 7268 1 364 . 1 1 30 30 PRO CB C 13 32.347 0.1 . 1 . . . . 30 PRO CB . 7268 1 365 . 1 1 30 30 PRO CG C 13 27.816 0.1 . 1 . . . . 30 PRO CG . 7268 1 366 . 1 1 30 30 PRO CD C 13 51.000 0.1 . 1 . . . . 30 PRO CD . 7268 1 367 . 1 1 31 31 GLU HA H 1 4.029 0.02 . 1 . . . . 31 GLU HA . 7268 1 368 . 1 1 31 31 GLU HB2 H 1 1.960 0.02 . 2 . . . . 31 GLU HB1 . 7268 1 369 . 1 1 31 31 GLU HG2 H 1 2.323 0.02 . 2 . . . . 31 GLU HG1 . 7268 1 370 . 1 1 31 31 GLU HG3 H 1 2.253 0.02 . 2 . . . . 31 GLU HG2 . 7268 1 371 . 1 1 31 31 GLU CA C 13 58.382 0.1 . 1 . . . . 31 GLU CA . 7268 1 372 . 1 1 31 31 GLU CB C 13 29.854 0.1 . 1 . . . . 31 GLU CB . 7268 1 373 . 1 1 31 31 GLU CG C 13 36.401 0.1 . 1 . . . . 31 GLU CG . 7268 1 374 . 1 1 32 32 ARG HA H 1 3.990 0.02 . 1 . . . . 32 ARG HA . 7268 1 375 . 1 1 32 32 ARG HB2 H 1 1.976 0.02 . 2 . . . . 32 ARG HB1 . 7268 1 376 . 1 1 32 32 ARG HB3 H 1 1.920 0.02 . 2 . . . . 32 ARG HB2 . 7268 1 377 . 1 1 32 32 ARG HG2 H 1 1.560 0.02 . 2 . . . . 32 ARG HG1 . 7268 1 378 . 1 1 32 32 ARG HD2 H 1 3.188 0.02 . 2 . . . . 32 ARG HD1 . 7268 1 379 . 1 1 32 32 ARG HD3 H 1 3.072 0.02 . 2 . . . . 32 ARG HD2 . 7268 1 380 . 1 1 32 32 ARG C C 13 174.903 0.1 . 1 . . . . 32 ARG C . 7268 1 381 . 1 1 32 32 ARG CA C 13 57.312 0.1 . 1 . . . . 32 ARG CA . 7268 1 382 . 1 1 32 32 ARG CB C 13 28.156 0.1 . 1 . . . . 32 ARG CB . 7268 1 383 . 1 1 32 32 ARG CG C 13 27.930 0.1 . 1 . . . . 32 ARG CG . 7268 1 384 . 1 1 32 32 ARG CD C 13 43.480 0.1 . 1 . . . . 32 ARG CD . 7268 1 385 . 1 1 33 33 SER H H 1 7.638 0.02 . 1 . . . . 33 SER HN . 7268 1 386 . 1 1 33 33 SER HA H 1 4.713 0.02 . 1 . . . . 33 SER HA . 7268 1 387 . 1 1 33 33 SER HB2 H 1 3.692 0.02 . 2 . . . . 33 SER HB1 . 7268 1 388 . 1 1 33 33 SER HB3 H 1 3.527 0.02 . 2 . . . . 33 SER HB2 . 7268 1 389 . 1 1 33 33 SER C C 13 174.341 0.1 . 1 . . . . 33 SER C . 7268 1 390 . 1 1 33 33 SER CA C 13 57.733 0.1 . 1 . . . . 33 SER CA . 7268 1 391 . 1 1 33 33 SER CB C 13 66.241 0.1 . 1 . . . . 33 SER CB . 7268 1 392 . 1 1 33 33 SER N N 15 112.644 0.1 . 1 . . . . 33 SER N . 7268 1 393 . 1 1 34 34 LYS H H 1 8.631 0.02 . 1 . . . . 34 LYS HN . 7268 1 394 . 1 1 34 34 LYS HA H 1 4.746 0.02 . 1 . . . . 34 LYS HA . 7268 1 395 . 1 1 34 34 LYS HB2 H 1 1.654 0.02 . 2 . . . . 34 LYS HB1 . 7268 1 396 . 1 1 34 34 LYS HB3 H 1 1.503 0.02 . 2 . . . . 34 LYS HB2 . 7268 1 397 . 1 1 34 34 LYS HG2 H 1 1.191 0.02 . 2 . . . . 34 LYS HG1 . 7268 1 398 . 1 1 34 34 LYS HG3 H 1 1.100 0.02 . 2 . . . . 34 LYS HG2 . 7268 1 399 . 1 1 34 34 LYS HD2 H 1 1.515 0.02 . 2 . . . . 34 LYS HD1 . 7268 1 400 . 1 1 34 34 LYS HD3 H 1 1.432 0.02 . 2 . . . . 34 LYS HD2 . 7268 1 401 . 1 1 34 34 LYS HE2 H 1 2.865 0.02 . 2 . . . . 34 LYS HE1 . 7268 1 402 . 1 1 34 34 LYS C C 13 175.459 0.1 . 1 . . . . 34 LYS C . 7268 1 403 . 1 1 34 34 LYS CA C 13 54.303 0.1 . 1 . . . . 34 LYS CA . 7268 1 404 . 1 1 34 34 LYS CB C 13 36.999 0.1 . 1 . . . . 34 LYS CB . 7268 1 405 . 1 1 34 34 LYS CG C 13 24.867 0.1 . 1 . . . . 34 LYS CG . 7268 1 406 . 1 1 34 34 LYS CD C 13 29.559 0.1 . 1 . . . . 34 LYS CD . 7268 1 407 . 1 1 34 34 LYS CE C 13 42.453 0.1 . 1 . . . . 34 LYS CE . 7268 1 408 . 1 1 34 34 LYS N N 15 119.384 0.1 . 1 . . . . 34 LYS N . 7268 1 409 . 1 1 35 35 PHE H H 1 9.001 0.02 . 1 . . . . 35 PHE HN . 7268 1 410 . 1 1 35 35 PHE HA H 1 5.348 0.02 . 1 . . . . 35 PHE HA . 7268 1 411 . 1 1 35 35 PHE HB2 H 1 2.840 0.02 . 1 . . . . 35 PHE HB1 . 7268 1 412 . 1 1 35 35 PHE HB3 H 1 2.641 0.02 . 1 . . . . 35 PHE HB2 . 7268 1 413 . 1 1 35 35 PHE HD1 H 1 6.918 0.02 . 3 . . . . 35 PHE HD1 . 7268 1 414 . 1 1 35 35 PHE HE1 H 1 6.832 0.02 . 3 . . . . 35 PHE HE1 . 7268 1 415 . 1 1 35 35 PHE HZ H 1 7.025 0.02 . 1 . . . . 35 PHE HZ . 7268 1 416 . 1 1 35 35 PHE C C 13 175.912 0.1 . 1 . . . . 35 PHE C . 7268 1 417 . 1 1 35 35 PHE CA C 13 58.009 0.1 . 1 . . . . 35 PHE CA . 7268 1 418 . 1 1 35 35 PHE CB C 13 42.526 0.1 . 1 . . . . 35 PHE CB . 7268 1 419 . 1 1 35 35 PHE CD1 C 13 131.598 0.1 . 3 . . . . 35 PHE CD1 . 7268 1 420 . 1 1 35 35 PHE CE1 C 13 131.090 0.1 . 3 . . . . 35 PHE CE1 . 7268 1 421 . 1 1 35 35 PHE CZ C 13 129.568 0.1 . 1 . . . . 35 PHE CZ . 7268 1 422 . 1 1 35 35 PHE N N 15 117.245 0.1 . 1 . . . . 35 PHE N . 7268 1 423 . 1 1 36 36 ARG H H 1 8.935 0.02 . 1 . . . . 36 ARG HN . 7268 1 424 . 1 1 36 36 ARG HA H 1 4.573 0.02 . 1 . . . . 36 ARG HA . 7268 1 425 . 1 1 36 36 ARG HB2 H 1 1.604 0.02 . 2 . . . . 36 ARG HB1 . 7268 1 426 . 1 1 36 36 ARG HB3 H 1 1.552 0.02 . 2 . . . . 36 ARG HB2 . 7268 1 427 . 1 1 36 36 ARG HG2 H 1 1.347 0.02 . 2 . . . . 36 ARG HG1 . 7268 1 428 . 1 1 36 36 ARG HD2 H 1 3.111 0.02 . 2 . . . . 36 ARG HD1 . 7268 1 429 . 1 1 36 36 ARG HD3 H 1 3.072 0.02 . 2 . . . . 36 ARG HD2 . 7268 1 430 . 1 1 36 36 ARG C C 13 173.166 0.1 . 1 . . . . 36 ARG C . 7268 1 431 . 1 1 36 36 ARG CA C 13 55.888 0.1 . 1 . . . . 36 ARG CA . 7268 1 432 . 1 1 36 36 ARG CB C 13 34.834 0.1 . 1 . . . . 36 ARG CB . 7268 1 433 . 1 1 36 36 ARG CG C 13 27.048 0.1 . 1 . . . . 36 ARG CG . 7268 1 434 . 1 1 36 36 ARG CD C 13 44.082 0.1 . 1 . . . . 36 ARG CD . 7268 1 435 . 1 1 36 36 ARG N N 15 120.088 0.1 . 1 . . . . 36 ARG N . 7268 1 436 . 1 1 37 37 LEU H H 1 8.793 0.02 . 1 . . . . 37 LEU HN . 7268 1 437 . 1 1 37 37 LEU HA H 1 5.589 0.02 . 1 . . . . 37 LEU HA . 7268 1 438 . 1 1 37 37 LEU HB2 H 1 1.798 0.02 . 2 . . . . 37 LEU HB1 . 7268 1 439 . 1 1 37 37 LEU HB3 H 1 1.183 0.02 . 2 . . . . 37 LEU HB2 . 7268 1 440 . 1 1 37 37 LEU HG H 1 1.567 0.02 . 1 . . . . 37 LEU HG . 7268 1 441 . 1 1 37 37 LEU HD11 H 1 0.779 0.02 . 4 . . . . 37 LEU HD1 . 7268 1 442 . 1 1 37 37 LEU HD12 H 1 0.779 0.02 . 4 . . . . 37 LEU HD1 . 7268 1 443 . 1 1 37 37 LEU HD13 H 1 0.779 0.02 . 4 . . . . 37 LEU HD1 . 7268 1 444 . 1 1 37 37 LEU HD21 H 1 0.587 0.02 . 4 . . . . 37 LEU HD2 . 7268 1 445 . 1 1 37 37 LEU HD22 H 1 0.587 0.02 . 4 . . . . 37 LEU HD2 . 7268 1 446 . 1 1 37 37 LEU HD23 H 1 0.587 0.02 . 4 . . . . 37 LEU HD2 . 7268 1 447 . 1 1 37 37 LEU C C 13 174.780 0.1 . 1 . . . . 37 LEU C . 7268 1 448 . 1 1 37 37 LEU CA C 13 53.087 0.1 . 1 . . . . 37 LEU CA . 7268 1 449 . 1 1 37 37 LEU CB C 13 47.499 0.1 . 1 . . . . 37 LEU CB . 7268 1 450 . 1 1 37 37 LEU CG C 13 26.985 0.1 . 1 . . . . 37 LEU CG . 7268 1 451 . 1 1 37 37 LEU CD1 C 13 24.795 0.1 . 2 . . . . 37 LEU CD1 . 7268 1 452 . 1 1 37 37 LEU CD2 C 13 26.501 0.1 . 2 . . . . 37 LEU CD2 . 7268 1 453 . 1 1 37 37 LEU N N 15 131.163 0.1 . 1 . . . . 37 LEU N . 7268 1 454 . 1 1 38 38 THR H H 1 9.311 0.02 . 1 . . . . 38 THR HN . 7268 1 455 . 1 1 38 38 THR HA H 1 4.721 0.02 . 1 . . . . 38 THR HA . 7268 1 456 . 1 1 38 38 THR HB H 1 4.407 0.02 . 1 . . . . 38 THR HB . 7268 1 457 . 1 1 38 38 THR HG21 H 1 1.123 0.02 . 1 . . . . 38 THR HG2 . 7268 1 458 . 1 1 38 38 THR HG22 H 1 1.123 0.02 . 1 . . . . 38 THR HG2 . 7268 1 459 . 1 1 38 38 THR HG23 H 1 1.123 0.02 . 1 . . . . 38 THR HG2 . 7268 1 460 . 1 1 38 38 THR C C 13 173.198 0.1 . 1 . . . . 38 THR C . 7268 1 461 . 1 1 38 38 THR CA C 13 60.486 0.1 . 1 . . . . 38 THR CA . 7268 1 462 . 1 1 38 38 THR CB C 13 74.374 0.1 . 1 . . . . 38 THR CB . 7268 1 463 . 1 1 38 38 THR CG2 C 13 22.424 0.1 . 1 . . . . 38 THR CG2 . 7268 1 464 . 1 1 38 38 THR N N 15 115.717 0.1 . 1 . . . . 38 THR N . 7268 1 465 . 1 1 39 39 GLY H H 1 9.282 0.02 . 1 . . . . 39 GLY HN . 7268 1 466 . 1 1 39 39 GLY HA2 H 1 5.172 0.02 . 2 . . . . 39 GLY HA1 . 7268 1 467 . 1 1 39 39 GLY HA3 H 1 3.996 0.02 . 2 . . . . 39 GLY HA2 . 7268 1 468 . 1 1 39 39 GLY C C 13 175.149 0.1 . 1 . . . . 39 GLY C . 7268 1 469 . 1 1 39 39 GLY CA C 13 43.682 0.1 . 1 . . . . 39 GLY CA . 7268 1 470 . 1 1 39 39 GLY N N 15 104.858 0.1 . 1 . . . . 39 GLY N . 7268 1 471 . 1 1 40 40 LYS H H 1 8.822 0.02 . 1 . . . . 40 LYS HN . 7268 1 472 . 1 1 40 40 LYS HA H 1 3.957 0.02 . 1 . . . . 40 LYS HA . 7268 1 473 . 1 1 40 40 LYS HB2 H 1 1.975 0.02 . 2 . . . . 40 LYS HB1 . 7268 1 474 . 1 1 40 40 LYS HB3 H 1 1.914 0.02 . 2 . . . . 40 LYS HB2 . 7268 1 475 . 1 1 40 40 LYS HG2 H 1 1.652 0.02 . 2 . . . . 40 LYS HG1 . 7268 1 476 . 1 1 40 40 LYS HG3 H 1 1.446 0.02 . 2 . . . . 40 LYS HG2 . 7268 1 477 . 1 1 40 40 LYS HD2 H 1 1.809 0.02 . 2 . . . . 40 LYS HD1 . 7268 1 478 . 1 1 40 40 LYS HE2 H 1 3.073 0.02 . 2 . . . . 40 LYS HE1 . 7268 1 479 . 1 1 40 40 LYS C C 13 175.572 0.1 . 1 . . . . 40 LYS C . 7268 1 480 . 1 1 40 40 LYS CA C 13 58.449 0.1 . 1 . . . . 40 LYS CA . 7268 1 481 . 1 1 40 40 LYS CB C 13 31.925 0.1 . 1 . . . . 40 LYS CB . 7268 1 482 . 1 1 40 40 LYS CG C 13 25.494 0.1 . 1 . . . . 40 LYS CG . 7268 1 483 . 1 1 40 40 LYS CD C 13 29.751 0.1 . 1 . . . . 40 LYS CD . 7268 1 484 . 1 1 40 40 LYS CE C 13 42.201 0.1 . 1 . . . . 40 LYS CE . 7268 1 485 . 1 1 40 40 LYS N N 15 123.489 0.1 . 1 . . . . 40 LYS N . 7268 1 486 . 1 1 41 41 GLY H H 1 7.599 0.02 . 1 . . . . 41 GLY HN . 7268 1 487 . 1 1 41 41 GLY HA2 H 1 4.694 0.02 . 2 . . . . 41 GLY HA1 . 7268 1 488 . 1 1 41 41 GLY HA3 H 1 4.382 0.02 . 2 . . . . 41 GLY HA2 . 7268 1 489 . 1 1 41 41 GLY C C 13 174.740 0.1 . 1 . . . . 41 GLY C . 7268 1 490 . 1 1 41 41 GLY CA C 13 45.664 0.1 . 1 . . . . 41 GLY CA . 7268 1 491 . 1 1 41 41 GLY N N 15 111.820 0.1 . 1 . . . . 41 GLY N . 7268 1 492 . 1 1 42 42 VAL H H 1 8.688 0.02 . 1 . . . . 42 VAL HN . 7268 1 493 . 1 1 42 42 VAL HA H 1 4.539 0.02 . 1 . . . . 42 VAL HA . 7268 1 494 . 1 1 42 42 VAL HB H 1 2.113 0.02 . 1 . . . . 42 VAL HB . 7268 1 495 . 1 1 42 42 VAL HG11 H 1 1.039 0.02 . 1 . . . . 42 VAL HG1 . 7268 1 496 . 1 1 42 42 VAL HG12 H 1 1.039 0.02 . 1 . . . . 42 VAL HG1 . 7268 1 497 . 1 1 42 42 VAL HG13 H 1 1.039 0.02 . 1 . . . . 42 VAL HG1 . 7268 1 498 . 1 1 42 42 VAL HG21 H 1 0.807 0.02 . 1 . . . . 42 VAL HG2 . 7268 1 499 . 1 1 42 42 VAL HG22 H 1 0.807 0.02 . 1 . . . . 42 VAL HG2 . 7268 1 500 . 1 1 42 42 VAL HG23 H 1 0.807 0.02 . 1 . . . . 42 VAL HG2 . 7268 1 501 . 1 1 42 42 VAL C C 13 175.367 0.1 . 1 . . . . 42 VAL C . 7268 1 502 . 1 1 42 42 VAL CA C 13 63.554 0.1 . 1 . . . . 42 VAL CA . 7268 1 503 . 1 1 42 42 VAL CB C 13 32.479 0.1 . 1 . . . . 42 VAL CB . 7268 1 504 . 1 1 42 42 VAL CG1 C 13 20.903 0.1 . 1 . . . . 42 VAL CG1 . 7268 1 505 . 1 1 42 42 VAL CG2 C 13 22.342 0.1 . 1 . . . . 42 VAL CG2 . 7268 1 506 . 1 1 42 42 VAL N N 15 121.189 0.1 . 1 . . . . 42 VAL N . 7268 1 507 . 1 1 43 43 ASP H H 1 9.692 0.02 . 1 . . . . 43 ASP HN . 7268 1 508 . 1 1 43 43 ASP HA H 1 4.747 0.02 . 1 . . . . 43 ASP HA . 7268 1 509 . 1 1 43 43 ASP HB2 H 1 2.968 0.02 . 2 . . . . 43 ASP HB1 . 7268 1 510 . 1 1 43 43 ASP HB3 H 1 2.779 0.02 . 2 . . . . 43 ASP HB2 . 7268 1 511 . 1 1 43 43 ASP C C 13 174.956 0.1 . 1 . . . . 43 ASP C . 7268 1 512 . 1 1 43 43 ASP CA C 13 53.398 0.1 . 1 . . . . 43 ASP CA . 7268 1 513 . 1 1 43 43 ASP CB C 13 40.475 0.1 . 1 . . . . 43 ASP CB . 7268 1 514 . 1 1 43 43 ASP N N 15 118.815 0.1 . 1 . . . . 43 ASP N . 7268 1 515 . 1 1 44 44 GLN H H 1 7.685 0.02 . 1 . . . . 44 GLN HN . 7268 1 516 . 1 1 44 44 GLN HA H 1 4.577 0.02 . 1 . . . . 44 GLN HA . 7268 1 517 . 1 1 44 44 GLN HB2 H 1 2.192 0.02 . 2 . . . . 44 GLN HB1 . 7268 1 518 . 1 1 44 44 GLN HB3 H 1 1.453 0.02 . 2 . . . . 44 GLN HB2 . 7268 1 519 . 1 1 44 44 GLN HG2 H 1 2.361 0.02 . 2 . . . . 44 GLN HG1 . 7268 1 520 . 1 1 44 44 GLN HG3 H 1 2.276 0.02 . 2 . . . . 44 GLN HG2 . 7268 1 521 . 1 1 44 44 GLN HE21 H 1 7.773 0.02 . 2 . . . . 44 GLN HE21 . 7268 1 522 . 1 1 44 44 GLN HE22 H 1 6.917 0.02 . 2 . . . . 44 GLN HE22 . 7268 1 523 . 1 1 44 44 GLN C C 13 174.544 0.1 . 1 . . . . 44 GLN C . 7268 1 524 . 1 1 44 44 GLN CA C 13 53.495 0.1 . 1 . . . . 44 GLN CA . 7268 1 525 . 1 1 44 44 GLN CB C 13 31.957 0.1 . 1 . . . . 44 GLN CB . 7268 1 526 . 1 1 44 44 GLN CG C 13 33.372 0.1 . 1 . . . . 44 GLN CG . 7268 1 527 . 1 1 44 44 GLN N N 15 119.963 0.1 . 1 . . . . 44 GLN N . 7268 1 528 . 1 1 44 44 GLN NE2 N 15 112.293 0.1 . 1 . . . . 44 GLN NE2 . 7268 1 529 . 1 1 45 45 GLU H H 1 8.757 0.02 . 1 . . . . 45 GLU HN . 7268 1 530 . 1 1 45 45 GLU HA H 1 4.410 0.02 . 1 . . . . 45 GLU HA . 7268 1 531 . 1 1 45 45 GLU HB2 H 1 1.968 0.02 . 2 . . . . 45 GLU HB1 . 7268 1 532 . 1 1 45 45 GLU HB3 H 1 1.877 0.02 . 2 . . . . 45 GLU HB2 . 7268 1 533 . 1 1 45 45 GLU HG2 H 1 2.369 0.02 . 2 . . . . 45 GLU HG1 . 7268 1 534 . 1 1 45 45 GLU HG3 H 1 2.330 0.02 . 2 . . . . 45 GLU HG2 . 7268 1 535 . 1 1 45 45 GLU CA C 13 55.259 0.1 . 1 . . . . 45 GLU CA . 7268 1 536 . 1 1 45 45 GLU CB C 13 29.238 0.1 . 1 . . . . 45 GLU CB . 7268 1 537 . 1 1 45 45 GLU CG C 13 35.235 0.1 . 1 . . . . 45 GLU CG . 7268 1 538 . 1 1 45 45 GLU N N 15 120.709 0.1 . 1 . . . . 45 GLU N . 7268 1 539 . 1 1 46 46 PRO HA H 1 4.685 0.02 . 1 . . . . 46 PRO HA . 7268 1 540 . 1 1 46 46 PRO HB2 H 1 2.252 0.02 . 2 . . . . 46 PRO HB1 . 7268 1 541 . 1 1 46 46 PRO HB3 H 1 2.024 0.02 . 2 . . . . 46 PRO HB2 . 7268 1 542 . 1 1 46 46 PRO HG2 H 1 2.270 0.02 . 2 . . . . 46 PRO HG1 . 7268 1 543 . 1 1 46 46 PRO HG3 H 1 2.011 0.02 . 2 . . . . 46 PRO HG2 . 7268 1 544 . 1 1 46 46 PRO HD2 H 1 3.494 0.02 . 2 . . . . 46 PRO HD1 . 7268 1 545 . 1 1 46 46 PRO C C 13 174.531 0.1 . 1 . . . . 46 PRO C . 7268 1 546 . 1 1 46 46 PRO CA C 13 61.569 0.1 . 1 . . . . 46 PRO CA . 7268 1 547 . 1 1 46 46 PRO CB C 13 33.256 0.1 . 1 . . . . 46 PRO CB . 7268 1 548 . 1 1 46 46 PRO CG C 13 25.815 0.1 . 1 . . . . 46 PRO CG . 7268 1 549 . 1 1 46 46 PRO CD C 13 49.739 0.1 . 1 . . . . 46 PRO CD . 7268 1 550 . 1 1 47 47 LYS H H 1 7.955 0.02 . 1 . . . . 47 LYS HN . 7268 1 551 . 1 1 47 47 LYS HA H 1 3.715 0.02 . 1 . . . . 47 LYS HA . 7268 1 552 . 1 1 47 47 LYS HB2 H 1 1.660 0.02 . 1 . . . . 47 LYS HB1 . 7268 1 553 . 1 1 47 47 LYS HB3 H 1 1.547 0.02 . 1 . . . . 47 LYS HB2 . 7268 1 554 . 1 1 47 47 LYS HG2 H 1 1.145 0.02 . 2 . . . . 47 LYS HG1 . 7268 1 555 . 1 1 47 47 LYS HG3 H 1 0.834 0.02 . 2 . . . . 47 LYS HG2 . 7268 1 556 . 1 1 47 47 LYS HD2 H 1 1.577 0.02 . 2 . . . . 47 LYS HD1 . 7268 1 557 . 1 1 47 47 LYS HE2 H 1 2.942 0.02 . 2 . . . . 47 LYS HE1 . 7268 1 558 . 1 1 47 47 LYS HE3 H 1 2.872 0.02 . 2 . . . . 47 LYS HE2 . 7268 1 559 . 1 1 47 47 LYS C C 13 180.083 0.1 . 1 . . . . 47 LYS C . 7268 1 560 . 1 1 47 47 LYS CA C 13 57.325 0.1 . 1 . . . . 47 LYS CA . 7268 1 561 . 1 1 47 47 LYS CB C 13 33.908 0.1 . 1 . . . . 47 LYS CB . 7268 1 562 . 1 1 47 47 LYS CG C 13 26.678 0.1 . 1 . . . . 47 LYS CG . 7268 1 563 . 1 1 47 47 LYS CD C 13 29.799 0.1 . 1 . . . . 47 LYS CD . 7268 1 564 . 1 1 47 47 LYS CE C 13 42.084 0.1 . 1 . . . . 47 LYS CE . 7268 1 565 . 1 1 47 47 LYS N N 15 122.233 0.1 . 1 . . . . 47 LYS N . 7268 1 566 . 1 1 48 48 GLY H H 1 8.677 0.02 . 1 . . . . 48 GLY HN . 7268 1 567 . 1 1 48 48 GLY HA2 H 1 3.891 0.02 . 2 . . . . 48 GLY HA1 . 7268 1 568 . 1 1 48 48 GLY HA3 H 1 3.802 0.02 . 2 . . . . 48 GLY HA2 . 7268 1 569 . 1 1 48 48 GLY C C 13 174.392 0.1 . 1 . . . . 48 GLY C . 7268 1 570 . 1 1 48 48 GLY CA C 13 46.509 0.1 . 1 . . . . 48 GLY CA . 7268 1 571 . 1 1 48 48 GLY N N 15 104.708 0.1 . 1 . . . . 48 GLY N . 7268 1 572 . 1 1 49 49 ILE H H 1 7.948 0.02 . 1 . . . . 49 ILE HN . 7268 1 573 . 1 1 49 49 ILE HA H 1 3.129 0.02 . 1 . . . . 49 ILE HA . 7268 1 574 . 1 1 49 49 ILE HB H 1 1.605 0.02 . 1 . . . . 49 ILE HB . 7268 1 575 . 1 1 49 49 ILE HG12 H 1 1.224 0.02 . 2 . . . . 49 ILE HG11 . 7268 1 576 . 1 1 49 49 ILE HG13 H 1 0.620 0.02 . 2 . . . . 49 ILE HG12 . 7268 1 577 . 1 1 49 49 ILE HG21 H 1 -0.319 0.02 . 1 . . . . 49 ILE HG2 . 7268 1 578 . 1 1 49 49 ILE HG22 H 1 -0.319 0.02 . 1 . . . . 49 ILE HG2 . 7268 1 579 . 1 1 49 49 ILE HG23 H 1 -0.319 0.02 . 1 . . . . 49 ILE HG2 . 7268 1 580 . 1 1 49 49 ILE HD11 H 1 0.590 0.02 . 1 . . . . 49 ILE HD1 . 7268 1 581 . 1 1 49 49 ILE HD12 H 1 0.590 0.02 . 1 . . . . 49 ILE HD1 . 7268 1 582 . 1 1 49 49 ILE HD13 H 1 0.590 0.02 . 1 . . . . 49 ILE HD1 . 7268 1 583 . 1 1 49 49 ILE C C 13 174.430 0.1 . 1 . . . . 49 ILE C . 7268 1 584 . 1 1 49 49 ILE CA C 13 64.178 0.1 . 1 . . . . 49 ILE CA . 7268 1 585 . 1 1 49 49 ILE CB C 13 36.737 0.1 . 1 . . . . 49 ILE CB . 7268 1 586 . 1 1 49 49 ILE CG1 C 13 27.902 0.1 . 1 . . . . 49 ILE CG1 . 7268 1 587 . 1 1 49 49 ILE CG2 C 13 18.387 0.1 . 1 . . . . 49 ILE CG2 . 7268 1 588 . 1 1 49 49 ILE CD1 C 13 12.448 0.1 . 1 . . . . 49 ILE CD1 . 7268 1 589 . 1 1 49 49 ILE N N 15 122.577 0.1 . 1 . . . . 49 ILE N . 7268 1 590 . 1 1 50 50 PHE H H 1 7.632 0.02 . 1 . . . . 50 PHE HN . 7268 1 591 . 1 1 50 50 PHE HA H 1 5.639 0.02 . 1 . . . . 50 PHE HA . 7268 1 592 . 1 1 50 50 PHE HB2 H 1 2.645 0.02 . 1 . . . . 50 PHE HB1 . 7268 1 593 . 1 1 50 50 PHE HB3 H 1 2.304 0.02 . 1 . . . . 50 PHE HB2 . 7268 1 594 . 1 1 50 50 PHE HD1 H 1 6.699 0.02 . 3 . . . . 50 PHE HD1 . 7268 1 595 . 1 1 50 50 PHE HE1 H 1 6.287 0.02 . 3 . . . . 50 PHE HE1 . 7268 1 596 . 1 1 50 50 PHE HZ H 1 6.260 0.02 . 1 . . . . 50 PHE HZ . 7268 1 597 . 1 1 50 50 PHE C C 13 174.744 0.1 . 1 . . . . 50 PHE C . 7268 1 598 . 1 1 50 50 PHE CA C 13 54.896 0.1 . 1 . . . . 50 PHE CA . 7268 1 599 . 1 1 50 50 PHE CB C 13 42.081 0.1 . 1 . . . . 50 PHE CB . 7268 1 600 . 1 1 50 50 PHE CD1 C 13 131.598 0.1 . 3 . . . . 50 PHE CD1 . 7268 1 601 . 1 1 50 50 PHE CE1 C 13 130.583 0.1 . 3 . . . . 50 PHE CE1 . 7268 1 602 . 1 1 50 50 PHE CZ C 13 129.568 0.1 . 1 . . . . 50 PHE CZ . 7268 1 603 . 1 1 50 50 PHE N N 15 113.230 0.1 . 1 . . . . 50 PHE N . 7268 1 604 . 1 1 51 51 ARG H H 1 8.498 0.02 . 1 . . . . 51 ARG HN . 7268 1 605 . 1 1 51 51 ARG HA H 1 4.629 0.02 . 1 . . . . 51 ARG HA . 7268 1 606 . 1 1 51 51 ARG HB2 H 1 1.699 0.02 . 2 . . . . 51 ARG HB1 . 7268 1 607 . 1 1 51 51 ARG HB3 H 1 1.534 0.02 . 2 . . . . 51 ARG HB2 . 7268 1 608 . 1 1 51 51 ARG HG2 H 1 1.427 0.02 . 2 . . . . 51 ARG HG1 . 7268 1 609 . 1 1 51 51 ARG HG3 H 1 1.304 0.02 . 2 . . . . 51 ARG HG2 . 7268 1 610 . 1 1 51 51 ARG HD2 H 1 2.999 0.02 . 2 . . . . 51 ARG HD1 . 7268 1 611 . 1 1 51 51 ARG C C 13 173.936 0.1 . 1 . . . . 51 ARG C . 7268 1 612 . 1 1 51 51 ARG CA C 13 54.131 0.1 . 1 . . . . 51 ARG CA . 7268 1 613 . 1 1 51 51 ARG CB C 13 34.501 0.1 . 1 . . . . 51 ARG CB . 7268 1 614 . 1 1 51 51 ARG CG C 13 26.640 0.1 . 1 . . . . 51 ARG CG . 7268 1 615 . 1 1 51 51 ARG CD C 13 43.832 0.1 . 1 . . . . 51 ARG CD . 7268 1 616 . 1 1 51 51 ARG N N 15 116.702 0.1 . 1 . . . . 51 ARG N . 7268 1 617 . 1 1 52 52 ILE H H 1 8.803 0.02 . 1 . . . . 52 ILE HN . 7268 1 618 . 1 1 52 52 ILE HA H 1 5.258 0.02 . 1 . . . . 52 ILE HA . 7268 1 619 . 1 1 52 52 ILE HB H 1 1.377 0.02 . 1 . . . . 52 ILE HB . 7268 1 620 . 1 1 52 52 ILE HG12 H 1 1.220 0.02 . 2 . . . . 52 ILE HG11 . 7268 1 621 . 1 1 52 52 ILE HG13 H 1 0.813 0.02 . 2 . . . . 52 ILE HG12 . 7268 1 622 . 1 1 52 52 ILE HG21 H 1 0.723 0.02 . 1 . . . . 52 ILE HG2 . 7268 1 623 . 1 1 52 52 ILE HG22 H 1 0.723 0.02 . 1 . . . . 52 ILE HG2 . 7268 1 624 . 1 1 52 52 ILE HG23 H 1 0.723 0.02 . 1 . . . . 52 ILE HG2 . 7268 1 625 . 1 1 52 52 ILE HD11 H 1 0.445 0.02 . 1 . . . . 52 ILE HD1 . 7268 1 626 . 1 1 52 52 ILE HD12 H 1 0.445 0.02 . 1 . . . . 52 ILE HD1 . 7268 1 627 . 1 1 52 52 ILE HD13 H 1 0.445 0.02 . 1 . . . . 52 ILE HD1 . 7268 1 628 . 1 1 52 52 ILE C C 13 173.003 0.1 . 1 . . . . 52 ILE C . 7268 1 629 . 1 1 52 52 ILE CA C 13 58.410 0.1 . 1 . . . . 52 ILE CA . 7268 1 630 . 1 1 52 52 ILE CB C 13 42.998 0.1 . 1 . . . . 52 ILE CB . 7268 1 631 . 1 1 52 52 ILE CG1 C 13 29.536 0.1 . 1 . . . . 52 ILE CG1 . 7268 1 632 . 1 1 52 52 ILE CG2 C 13 16.891 0.1 . 1 . . . . 52 ILE CG2 . 7268 1 633 . 1 1 52 52 ILE CD1 C 13 15.146 0.1 . 1 . . . . 52 ILE CD1 . 7268 1 634 . 1 1 52 52 ILE N N 15 120.358 0.1 . 1 . . . . 52 ILE N . 7268 1 635 . 1 1 53 53 ASN H H 1 8.381 0.02 . 1 . . . . 53 ASN HN . 7268 1 636 . 1 1 53 53 ASN HA H 1 4.792 0.02 . 1 . . . . 53 ASN HA . 7268 1 637 . 1 1 53 53 ASN HB2 H 1 3.216 0.02 . 2 . . . . 53 ASN HB1 . 7268 1 638 . 1 1 53 53 ASN HB3 H 1 2.569 0.02 . 2 . . . . 53 ASN HB2 . 7268 1 639 . 1 1 53 53 ASN C C 13 176.638 0.1 . 1 . . . . 53 ASN C . 7268 1 640 . 1 1 53 53 ASN CA C 13 52.832 0.1 . 1 . . . . 53 ASN CA . 7268 1 641 . 1 1 53 53 ASN CB C 13 39.139 0.1 . 1 . . . . 53 ASN CB . 7268 1 642 . 1 1 53 53 ASN N N 15 124.620 0.1 . 1 . . . . 53 ASN N . 7268 1 643 . 1 1 54 54 GLU H H 1 9.459 0.02 . 1 . . . . 54 GLU HN . 7268 1 644 . 1 1 54 54 GLU HA H 1 4.358 0.02 . 1 . . . . 54 GLU HA . 7268 1 645 . 1 1 54 54 GLU HB2 H 1 2.246 0.02 . 2 . . . . 54 GLU HB1 . 7268 1 646 . 1 1 54 54 GLU HG2 H 1 2.492 0.02 . 2 . . . . 54 GLU HG1 . 7268 1 647 . 1 1 54 54 GLU HG3 H 1 2.267 0.02 . 2 . . . . 54 GLU HG2 . 7268 1 648 . 1 1 54 54 GLU C C 13 175.832 0.1 . 1 . . . . 54 GLU C . 7268 1 649 . 1 1 54 54 GLU CA C 13 58.892 0.1 . 1 . . . . 54 GLU CA . 7268 1 650 . 1 1 54 54 GLU CB C 13 29.828 0.1 . 1 . . . . 54 GLU CB . 7268 1 651 . 1 1 54 54 GLU CG C 13 35.185 0.1 . 1 . . . . 54 GLU CG . 7268 1 652 . 1 1 54 54 GLU N N 15 127.382 0.1 . 1 . . . . 54 GLU N . 7268 1 653 . 1 1 55 55 ASN H H 1 8.363 0.02 . 1 . . . . 55 ASN HN . 7268 1 654 . 1 1 55 55 ASN HA H 1 5.105 0.02 . 1 . . . . 55 ASN HA . 7268 1 655 . 1 1 55 55 ASN HB2 H 1 2.920 0.02 . 2 . . . . 55 ASN HB1 . 7268 1 656 . 1 1 55 55 ASN C C 13 176.977 0.1 . 1 . . . . 55 ASN C . 7268 1 657 . 1 1 55 55 ASN CA C 13 55.113 0.1 . 1 . . . . 55 ASN CA . 7268 1 658 . 1 1 55 55 ASN CB C 13 40.630 0.1 . 1 . . . . 55 ASN CB . 7268 1 659 . 1 1 55 55 ASN N N 15 113.060 0.1 . 1 . . . . 55 ASN N . 7268 1 660 . 1 1 56 56 THR H H 1 8.106 0.02 . 1 . . . . 56 THR HN . 7268 1 661 . 1 1 56 56 THR HA H 1 4.632 0.02 . 1 . . . . 56 THR HA . 7268 1 662 . 1 1 56 56 THR HB H 1 4.419 0.02 . 1 . . . . 56 THR HB . 7268 1 663 . 1 1 56 56 THR HG21 H 1 1.183 0.02 . 1 . . . . 56 THR HG2 . 7268 1 664 . 1 1 56 56 THR HG22 H 1 1.183 0.02 . 1 . . . . 56 THR HG2 . 7268 1 665 . 1 1 56 56 THR HG23 H 1 1.183 0.02 . 1 . . . . 56 THR HG2 . 7268 1 666 . 1 1 56 56 THR C C 13 176.947 0.1 . 1 . . . . 56 THR C . 7268 1 667 . 1 1 56 56 THR CA C 13 62.149 0.1 . 1 . . . . 56 THR CA . 7268 1 668 . 1 1 56 56 THR CB C 13 71.128 0.1 . 1 . . . . 56 THR CB . 7268 1 669 . 1 1 56 56 THR CG2 C 13 20.740 0.1 . 1 . . . . 56 THR CG2 . 7268 1 670 . 1 1 56 56 THR N N 15 108.241 0.1 . 1 . . . . 56 THR N . 7268 1 671 . 1 1 57 57 GLY H H 1 8.724 0.02 . 1 . . . . 57 GLY HN . 7268 1 672 . 1 1 57 57 GLY HA2 H 1 3.843 0.02 . 2 . . . . 57 GLY HA1 . 7268 1 673 . 1 1 57 57 GLY HA3 H 1 2.607 0.02 . 2 . . . . 57 GLY HA2 . 7268 1 674 . 1 1 57 57 GLY C C 13 173.758 0.1 . 1 . . . . 57 GLY C . 7268 1 675 . 1 1 57 57 GLY CA C 13 45.667 0.1 . 1 . . . . 57 GLY CA . 7268 1 676 . 1 1 57 57 GLY N N 15 110.605 0.1 . 1 . . . . 57 GLY N . 7268 1 677 . 1 1 58 58 SER H H 1 7.635 0.02 . 1 . . . . 58 SER HN . 7268 1 678 . 1 1 58 58 SER HA H 1 4.428 0.02 . 1 . . . . 58 SER HA . 7268 1 679 . 1 1 58 58 SER HB2 H 1 3.733 0.02 . 2 . . . . 58 SER HB1 . 7268 1 680 . 1 1 58 58 SER HB3 H 1 3.642 0.02 . 2 . . . . 58 SER HB2 . 7268 1 681 . 1 1 58 58 SER C C 13 173.940 0.1 . 1 . . . . 58 SER C . 7268 1 682 . 1 1 58 58 SER CA C 13 60.052 0.1 . 1 . . . . 58 SER CA . 7268 1 683 . 1 1 58 58 SER CB C 13 63.412 0.1 . 1 . . . . 58 SER CB . 7268 1 684 . 1 1 58 58 SER N N 15 114.387 0.1 . 1 . . . . 58 SER N . 7268 1 685 . 1 1 59 59 VAL H H 1 9.021 0.02 . 1 . . . . 59 VAL HN . 7268 1 686 . 1 1 59 59 VAL HA H 1 4.707 0.02 . 1 . . . . 59 VAL HA . 7268 1 687 . 1 1 59 59 VAL HB H 1 1.410 0.02 . 1 . . . . 59 VAL HB . 7268 1 688 . 1 1 59 59 VAL HG11 H 1 0.653 0.02 . 1 . . . . 59 VAL HG1 . 7268 1 689 . 1 1 59 59 VAL HG12 H 1 0.653 0.02 . 1 . . . . 59 VAL HG1 . 7268 1 690 . 1 1 59 59 VAL HG13 H 1 0.653 0.02 . 1 . . . . 59 VAL HG1 . 7268 1 691 . 1 1 59 59 VAL HG21 H 1 0.624 0.02 . 1 . . . . 59 VAL HG2 . 7268 1 692 . 1 1 59 59 VAL HG22 H 1 0.624 0.02 . 1 . . . . 59 VAL HG2 . 7268 1 693 . 1 1 59 59 VAL HG23 H 1 0.624 0.02 . 1 . . . . 59 VAL HG2 . 7268 1 694 . 1 1 59 59 VAL C C 13 174.492 0.1 . 1 . . . . 59 VAL C . 7268 1 695 . 1 1 59 59 VAL CA C 13 61.522 0.1 . 1 . . . . 59 VAL CA . 7268 1 696 . 1 1 59 59 VAL CB C 13 33.641 0.1 . 1 . . . . 59 VAL CB . 7268 1 697 . 1 1 59 59 VAL CG1 C 13 21.525 0.1 . 1 . . . . 59 VAL CG1 . 7268 1 698 . 1 1 59 59 VAL CG2 C 13 20.262 0.1 . 1 . . . . 59 VAL CG2 . 7268 1 699 . 1 1 59 59 VAL N N 15 130.400 0.1 . 1 . . . . 59 VAL N . 7268 1 700 . 1 1 60 60 SER H H 1 9.274 0.02 . 1 . . . . 60 SER HN . 7268 1 701 . 1 1 60 60 SER HA H 1 5.668 0.02 . 1 . . . . 60 SER HA . 7268 1 702 . 1 1 60 60 SER HB2 H 1 3.879 0.02 . 2 . . . . 60 SER HB1 . 7268 1 703 . 1 1 60 60 SER HB3 H 1 3.471 0.02 . 2 . . . . 60 SER HB2 . 7268 1 704 . 1 1 60 60 SER C C 13 171.948 0.1 . 1 . . . . 60 SER C . 7268 1 705 . 1 1 60 60 SER CA C 13 56.362 0.1 . 1 . . . . 60 SER CA . 7268 1 706 . 1 1 60 60 SER CB C 13 66.869 0.1 . 1 . . . . 60 SER CB . 7268 1 707 . 1 1 60 60 SER N N 15 120.823 0.1 . 1 . . . . 60 SER N . 7268 1 708 . 1 1 61 61 VAL H H 1 9.072 0.02 . 1 . . . . 61 VAL HN . 7268 1 709 . 1 1 61 61 VAL HA H 1 5.438 0.02 . 1 . . . . 61 VAL HA . 7268 1 710 . 1 1 61 61 VAL HB H 1 1.882 0.02 . 1 . . . . 61 VAL HB . 7268 1 711 . 1 1 61 61 VAL HG11 H 1 1.197 0.02 . 1 . . . . 61 VAL HG1 . 7268 1 712 . 1 1 61 61 VAL HG12 H 1 1.197 0.02 . 1 . . . . 61 VAL HG1 . 7268 1 713 . 1 1 61 61 VAL HG13 H 1 1.197 0.02 . 1 . . . . 61 VAL HG1 . 7268 1 714 . 1 1 61 61 VAL HG21 H 1 0.970 0.02 . 1 . . . . 61 VAL HG2 . 7268 1 715 . 1 1 61 61 VAL HG22 H 1 0.970 0.02 . 1 . . . . 61 VAL HG2 . 7268 1 716 . 1 1 61 61 VAL HG23 H 1 0.970 0.02 . 1 . . . . 61 VAL HG2 . 7268 1 717 . 1 1 61 61 VAL C C 13 176.502 0.1 . 1 . . . . 61 VAL C . 7268 1 718 . 1 1 61 61 VAL CA C 13 58.263 0.1 . 1 . . . . 61 VAL CA . 7268 1 719 . 1 1 61 61 VAL CB C 13 36.216 0.1 . 1 . . . . 61 VAL CB . 7268 1 720 . 1 1 61 61 VAL CG1 C 13 20.999 0.1 . 1 . . . . 61 VAL CG1 . 7268 1 721 . 1 1 61 61 VAL CG2 C 13 23.094 0.1 . 1 . . . . 61 VAL CG2 . 7268 1 722 . 1 1 61 61 VAL N N 15 119.325 0.1 . 1 . . . . 61 VAL N . 7268 1 723 . 1 1 62 62 THR H H 1 8.750 0.02 . 1 . . . . 62 THR HN . 7268 1 724 . 1 1 62 62 THR HA H 1 4.132 0.02 . 1 . . . . 62 THR HA . 7268 1 725 . 1 1 62 62 THR HB H 1 4.383 0.02 . 1 . . . . 62 THR HB . 7268 1 726 . 1 1 62 62 THR HG21 H 1 0.922 0.02 . 1 . . . . 62 THR HG2 . 7268 1 727 . 1 1 62 62 THR HG22 H 1 0.922 0.02 . 1 . . . . 62 THR HG2 . 7268 1 728 . 1 1 62 62 THR HG23 H 1 0.922 0.02 . 1 . . . . 62 THR HG2 . 7268 1 729 . 1 1 62 62 THR C C 13 173.155 0.1 . 1 . . . . 62 THR C . 7268 1 730 . 1 1 62 62 THR CA C 13 62.074 0.1 . 1 . . . . 62 THR CA . 7268 1 731 . 1 1 62 62 THR CB C 13 70.018 0.1 . 1 . . . . 62 THR CB . 7268 1 732 . 1 1 62 62 THR CG2 C 13 19.969 0.1 . 1 . . . . 62 THR CG2 . 7268 1 733 . 1 1 62 62 THR N N 15 113.571 0.1 . 1 . . . . 62 THR N . 7268 1 734 . 1 1 63 63 ARG H H 1 6.954 0.02 . 1 . . . . 63 ARG HN . 7268 1 735 . 1 1 63 63 ARG HA H 1 3.142 0.02 . 1 . . . . 63 ARG HA . 7268 1 736 . 1 1 63 63 ARG HB2 H 1 1.761 0.02 . 2 . . . . 63 ARG HB1 . 7268 1 737 . 1 1 63 63 ARG HB3 H 1 1.368 0.02 . 2 . . . . 63 ARG HB2 . 7268 1 738 . 1 1 63 63 ARG HG2 H 1 1.098 0.02 . 2 . . . . 63 ARG HG1 . 7268 1 739 . 1 1 63 63 ARG HG3 H 1 1.049 0.02 . 2 . . . . 63 ARG HG2 . 7268 1 740 . 1 1 63 63 ARG HD2 H 1 2.896 0.02 . 2 . . . . 63 ARG HD1 . 7268 1 741 . 1 1 63 63 ARG C C 13 172.477 0.1 . 1 . . . . 63 ARG C . 7268 1 742 . 1 1 63 63 ARG CA C 13 53.706 0.1 . 1 . . . . 63 ARG CA . 7268 1 743 . 1 1 63 63 ARG CB C 13 31.803 0.1 . 1 . . . . 63 ARG CB . 7268 1 744 . 1 1 63 63 ARG CG C 13 23.893 0.1 . 1 . . . . 63 ARG CG . 7268 1 745 . 1 1 63 63 ARG CD C 13 43.727 0.1 . 1 . . . . 63 ARG CD . 7268 1 746 . 1 1 63 63 ARG N N 15 116.658 0.1 . 1 . . . . 63 ARG N . 7268 1 747 . 1 1 64 64 THR H H 1 7.394 0.02 . 1 . . . . 64 THR HN . 7268 1 748 . 1 1 64 64 THR HA H 1 3.932 0.02 . 1 . . . . 64 THR HA . 7268 1 749 . 1 1 64 64 THR HB H 1 4.000 0.02 . 1 . . . . 64 THR HB . 7268 1 750 . 1 1 64 64 THR HG21 H 1 1.197 0.02 . 1 . . . . 64 THR HG2 . 7268 1 751 . 1 1 64 64 THR HG22 H 1 1.197 0.02 . 1 . . . . 64 THR HG2 . 7268 1 752 . 1 1 64 64 THR HG23 H 1 1.197 0.02 . 1 . . . . 64 THR HG2 . 7268 1 753 . 1 1 64 64 THR C C 13 172.341 0.1 . 1 . . . . 64 THR C . 7268 1 754 . 1 1 64 64 THR CA C 13 63.604 0.1 . 1 . . . . 64 THR CA . 7268 1 755 . 1 1 64 64 THR CB C 13 69.318 0.1 . 1 . . . . 64 THR CB . 7268 1 756 . 1 1 64 64 THR CG2 C 13 20.932 0.1 . 1 . . . . 64 THR CG2 . 7268 1 757 . 1 1 64 64 THR N N 15 114.431 0.1 . 1 . . . . 64 THR N . 7268 1 758 . 1 1 65 65 LEU H H 1 8.528 0.02 . 1 . . . . 65 LEU HN . 7268 1 759 . 1 1 65 65 LEU HA H 1 4.744 0.02 . 1 . . . . 65 LEU HA . 7268 1 760 . 1 1 65 65 LEU HB2 H 1 1.733 0.02 . 2 . . . . 65 LEU HB1 . 7268 1 761 . 1 1 65 65 LEU HB3 H 1 1.642 0.02 . 2 . . . . 65 LEU HB2 . 7268 1 762 . 1 1 65 65 LEU HG H 1 1.704 0.02 . 1 . . . . 65 LEU HG . 7268 1 763 . 1 1 65 65 LEU HD11 H 1 0.835 0.02 . 4 . . . . 65 LEU HD1 . 7268 1 764 . 1 1 65 65 LEU HD12 H 1 0.835 0.02 . 4 . . . . 65 LEU HD1 . 7268 1 765 . 1 1 65 65 LEU HD13 H 1 0.835 0.02 . 4 . . . . 65 LEU HD1 . 7268 1 766 . 1 1 65 65 LEU HD21 H 1 0.586 0.02 . 4 . . . . 65 LEU HD2 . 7268 1 767 . 1 1 65 65 LEU HD22 H 1 0.586 0.02 . 4 . . . . 65 LEU HD2 . 7268 1 768 . 1 1 65 65 LEU HD23 H 1 0.586 0.02 . 4 . . . . 65 LEU HD2 . 7268 1 769 . 1 1 65 65 LEU C C 13 175.610 0.1 . 1 . . . . 65 LEU C . 7268 1 770 . 1 1 65 65 LEU CA C 13 54.090 0.1 . 1 . . . . 65 LEU CA . 7268 1 771 . 1 1 65 65 LEU CB C 13 44.792 0.1 . 1 . . . . 65 LEU CB . 7268 1 772 . 1 1 65 65 LEU CG C 13 26.241 0.1 . 1 . . . . 65 LEU CG . 7268 1 773 . 1 1 65 65 LEU CD1 C 13 27.207 0.1 . 2 . . . . 65 LEU CD1 . 7268 1 774 . 1 1 65 65 LEU CD2 C 13 22.373 0.1 . 2 . . . . 65 LEU CD2 . 7268 1 775 . 1 1 65 65 LEU N N 15 124.747 0.1 . 1 . . . . 65 LEU N . 7268 1 776 . 1 1 66 66 ASP H H 1 8.034 0.02 . 1 . . . . 66 ASP HN . 7268 1 777 . 1 1 66 66 ASP HA H 1 4.927 0.02 . 1 . . . . 66 ASP HA . 7268 1 778 . 1 1 66 66 ASP HB2 H 1 2.760 0.02 . 2 . . . . 66 ASP HB1 . 7268 1 779 . 1 1 66 66 ASP HB3 H 1 2.651 0.02 . 2 . . . . 66 ASP HB2 . 7268 1 780 . 1 1 66 66 ASP C C 13 176.998 0.1 . 1 . . . . 66 ASP C . 7268 1 781 . 1 1 66 66 ASP CA C 13 52.956 0.1 . 1 . . . . 66 ASP CA . 7268 1 782 . 1 1 66 66 ASP CB C 13 43.494 0.1 . 1 . . . . 66 ASP CB . 7268 1 783 . 1 1 66 66 ASP N N 15 118.762 0.1 . 1 . . . . 66 ASP N . 7268 1 784 . 1 1 67 67 ARG H H 1 9.140 0.02 . 1 . . . . 67 ARG HN . 7268 1 785 . 1 1 67 67 ARG HA H 1 4.143 0.02 . 1 . . . . 67 ARG HA . 7268 1 786 . 1 1 67 67 ARG HB2 H 1 1.717 0.02 . 2 . . . . 67 ARG HB1 . 7268 1 787 . 1 1 67 67 ARG HG2 H 1 1.657 0.02 . 2 . . . . 67 ARG HG1 . 7268 1 788 . 1 1 67 67 ARG HG3 H 1 1.496 0.02 . 2 . . . . 67 ARG HG2 . 7268 1 789 . 1 1 67 67 ARG HD2 H 1 3.063 0.02 . 2 . . . . 67 ARG HD1 . 7268 1 790 . 1 1 67 67 ARG HD3 H 1 2.978 0.02 . 2 . . . . 67 ARG HD2 . 7268 1 791 . 1 1 67 67 ARG C C 13 176.533 0.1 . 1 . . . . 67 ARG C . 7268 1 792 . 1 1 67 67 ARG CA C 13 57.721 0.1 . 1 . . . . 67 ARG CA . 7268 1 793 . 1 1 67 67 ARG CB C 13 30.822 0.1 . 1 . . . . 67 ARG CB . 7268 1 794 . 1 1 67 67 ARG CG C 13 27.500 0.1 . 1 . . . . 67 ARG CG . 7268 1 795 . 1 1 67 67 ARG CD C 13 43.735 0.1 . 1 . . . . 67 ARG CD . 7268 1 796 . 1 1 67 67 ARG N N 15 124.168 0.1 . 1 . . . . 67 ARG N . 7268 1 797 . 1 1 68 68 GLU H H 1 8.530 0.02 . 1 . . . . 68 GLU HN . 7268 1 798 . 1 1 68 68 GLU HA H 1 3.941 0.02 . 1 . . . . 68 GLU HA . 7268 1 799 . 1 1 68 68 GLU HB2 H 1 2.014 0.02 . 2 . . . . 68 GLU HB1 . 7268 1 800 . 1 1 68 68 GLU HG2 H 1 2.322 0.02 . 2 . . . . 68 GLU HG1 . 7268 1 801 . 1 1 68 68 GLU HG3 H 1 2.176 0.02 . 2 . . . . 68 GLU HG2 . 7268 1 802 . 1 1 68 68 GLU C C 13 177.354 0.1 . 1 . . . . 68 GLU C . 7268 1 803 . 1 1 68 68 GLU CA C 13 58.159 0.1 . 1 . . . . 68 GLU CA . 7268 1 804 . 1 1 68 68 GLU CB C 13 29.578 0.1 . 1 . . . . 68 GLU CB . 7268 1 805 . 1 1 68 68 GLU CG C 13 36.743 0.1 . 1 . . . . 68 GLU CG . 7268 1 806 . 1 1 68 68 GLU N N 15 117.170 0.1 . 1 . . . . 68 GLU N . 7268 1 807 . 1 1 69 69 VAL H H 1 7.625 0.02 . 1 . . . . 69 VAL HN . 7268 1 808 . 1 1 69 69 VAL HA H 1 3.904 0.02 . 1 . . . . 69 VAL HA . 7268 1 809 . 1 1 69 69 VAL HB H 1 2.159 0.02 . 1 . . . . 69 VAL HB . 7268 1 810 . 1 1 69 69 VAL HG11 H 1 0.969 0.02 . 4 . . . . 69 VAL HG1 . 7268 1 811 . 1 1 69 69 VAL HG12 H 1 0.969 0.02 . 4 . . . . 69 VAL HG1 . 7268 1 812 . 1 1 69 69 VAL HG13 H 1 0.969 0.02 . 4 . . . . 69 VAL HG1 . 7268 1 813 . 1 1 69 69 VAL HG21 H 1 0.888 0.02 . 4 . . . . 69 VAL HG2 . 7268 1 814 . 1 1 69 69 VAL HG22 H 1 0.888 0.02 . 4 . . . . 69 VAL HG2 . 7268 1 815 . 1 1 69 69 VAL HG23 H 1 0.888 0.02 . 4 . . . . 69 VAL HG2 . 7268 1 816 . 1 1 69 69 VAL C C 13 176.182 0.1 . 1 . . . . 69 VAL C . 7268 1 817 . 1 1 69 69 VAL CA C 13 64.833 0.1 . 1 . . . . 69 VAL CA . 7268 1 818 . 1 1 69 69 VAL CB C 13 32.616 0.1 . 1 . . . . 69 VAL CB . 7268 1 819 . 1 1 69 69 VAL CG1 C 13 21.311 0.1 . 2 . . . . 69 VAL CG1 . 7268 1 820 . 1 1 69 69 VAL CG2 C 13 21.678 0.1 . 2 . . . . 69 VAL CG2 . 7268 1 821 . 1 1 69 69 VAL N N 15 118.752 0.1 . 1 . . . . 69 VAL N . 7268 1 822 . 1 1 70 70 ILE H H 1 7.278 0.02 . 1 . . . . 70 ILE HN . 7268 1 823 . 1 1 70 70 ILE HA H 1 3.905 0.02 . 1 . . . . 70 ILE HA . 7268 1 824 . 1 1 70 70 ILE HB H 1 1.509 0.02 . 1 . . . . 70 ILE HB . 7268 1 825 . 1 1 70 70 ILE HG12 H 1 1.441 0.02 . 2 . . . . 70 ILE HG11 . 7268 1 826 . 1 1 70 70 ILE HG13 H 1 0.848 0.02 . 2 . . . . 70 ILE HG12 . 7268 1 827 . 1 1 70 70 ILE HG21 H 1 0.029 0.02 . 1 . . . . 70 ILE HG2 . 7268 1 828 . 1 1 70 70 ILE HG22 H 1 0.029 0.02 . 1 . . . . 70 ILE HG2 . 7268 1 829 . 1 1 70 70 ILE HG23 H 1 0.029 0.02 . 1 . . . . 70 ILE HG2 . 7268 1 830 . 1 1 70 70 ILE HD11 H 1 0.745 0.02 . 1 . . . . 70 ILE HD1 . 7268 1 831 . 1 1 70 70 ILE HD12 H 1 0.745 0.02 . 1 . . . . 70 ILE HD1 . 7268 1 832 . 1 1 70 70 ILE HD13 H 1 0.745 0.02 . 1 . . . . 70 ILE HD1 . 7268 1 833 . 1 1 70 70 ILE C C 13 174.180 0.1 . 1 . . . . 70 ILE C . 7268 1 834 . 1 1 70 70 ILE CA C 13 61.924 0.1 . 1 . . . . 70 ILE CA . 7268 1 835 . 1 1 70 70 ILE CB C 13 41.604 0.1 . 1 . . . . 70 ILE CB . 7268 1 836 . 1 1 70 70 ILE CG1 C 13 28.484 0.1 . 1 . . . . 70 ILE CG1 . 7268 1 837 . 1 1 70 70 ILE CG2 C 13 17.576 0.1 . 1 . . . . 70 ILE CG2 . 7268 1 838 . 1 1 70 70 ILE CD1 C 13 13.671 0.1 . 1 . . . . 70 ILE CD1 . 7268 1 839 . 1 1 70 70 ILE N N 15 117.548 0.1 . 1 . . . . 70 ILE N . 7268 1 840 . 1 1 71 71 ALA H H 1 8.420 0.02 . 1 . . . . 71 ALA HN . 7268 1 841 . 1 1 71 71 ALA HA H 1 4.498 0.02 . 1 . . . . 71 ALA HA . 7268 1 842 . 1 1 71 71 ALA HB1 H 1 1.471 0.02 . 1 . . . . 71 ALA HB . 7268 1 843 . 1 1 71 71 ALA HB2 H 1 1.471 0.02 . 1 . . . . 71 ALA HB . 7268 1 844 . 1 1 71 71 ALA HB3 H 1 1.471 0.02 . 1 . . . . 71 ALA HB . 7268 1 845 . 1 1 71 71 ALA C C 13 176.213 0.1 . 1 . . . . 71 ALA C . 7268 1 846 . 1 1 71 71 ALA CA C 13 52.923 0.1 . 1 . . . . 71 ALA CA . 7268 1 847 . 1 1 71 71 ALA CB C 13 20.383 0.1 . 1 . . . . 71 ALA CB . 7268 1 848 . 1 1 71 71 ALA N N 15 126.997 0.1 . 1 . . . . 71 ALA N . 7268 1 849 . 1 1 72 72 VAL H H 1 7.030 0.02 . 1 . . . . 72 VAL HN . 7268 1 850 . 1 1 72 72 VAL HA H 1 4.978 0.02 . 1 . . . . 72 VAL HA . 7268 1 851 . 1 1 72 72 VAL HB H 1 1.847 0.02 . 1 . . . . 72 VAL HB . 7268 1 852 . 1 1 72 72 VAL HG11 H 1 0.862 0.02 . 4 . . . . 72 VAL HG1 . 7268 1 853 . 1 1 72 72 VAL HG12 H 1 0.862 0.02 . 4 . . . . 72 VAL HG1 . 7268 1 854 . 1 1 72 72 VAL HG13 H 1 0.862 0.02 . 4 . . . . 72 VAL HG1 . 7268 1 855 . 1 1 72 72 VAL HG21 H 1 0.755 0.02 . 4 . . . . 72 VAL HG2 . 7268 1 856 . 1 1 72 72 VAL HG22 H 1 0.755 0.02 . 4 . . . . 72 VAL HG2 . 7268 1 857 . 1 1 72 72 VAL HG23 H 1 0.755 0.02 . 4 . . . . 72 VAL HG2 . 7268 1 858 . 1 1 72 72 VAL CA C 13 60.028 0.1 . 1 . . . . 72 VAL CA . 7268 1 859 . 1 1 72 72 VAL CB C 13 35.512 0.1 . 1 . . . . 72 VAL CB . 7268 1 860 . 1 1 72 72 VAL CG1 C 13 21.357 0.1 . 2 . . . . 72 VAL CG1 . 7268 1 861 . 1 1 72 72 VAL CG2 C 13 20.745 0.1 . 2 . . . . 72 VAL CG2 . 7268 1 862 . 1 1 72 72 VAL N N 15 115.455 0.1 . 1 . . . . 72 VAL N . 7268 1 863 . 1 1 73 73 TYR HA H 1 4.452 0.02 . 1 . . . . 73 TYR HA . 7268 1 864 . 1 1 73 73 TYR HB2 H 1 2.855 0.02 . 1 . . . . 73 TYR HB1 . 7268 1 865 . 1 1 73 73 TYR HB3 H 1 2.663 0.02 . 1 . . . . 73 TYR HB2 . 7268 1 866 . 1 1 73 73 TYR HD1 H 1 7.044 0.02 . 3 . . . . 73 TYR HD1 . 7268 1 867 . 1 1 73 73 TYR HE1 H 1 6.564 0.02 . 3 . . . . 73 TYR HE1 . 7268 1 868 . 1 1 73 73 TYR C C 13 174.619 0.1 . 1 . . . . 73 TYR C . 7268 1 869 . 1 1 73 73 TYR CA C 13 56.975 0.1 . 1 . . . . 73 TYR CA . 7268 1 870 . 1 1 73 73 TYR CB C 13 39.609 0.1 . 1 . . . . 73 TYR CB . 7268 1 871 . 1 1 73 73 TYR CD1 C 13 133.628 0.1 . 3 . . . . 73 TYR CD1 . 7268 1 872 . 1 1 73 73 TYR CE1 C 13 117.641 0.1 . 3 . . . . 73 TYR CE1 . 7268 1 873 . 1 1 74 74 GLN H H 1 8.601 0.02 . 1 . . . . 74 GLN HN . 7268 1 874 . 1 1 74 74 GLN HA H 1 4.437 0.02 . 1 . . . . 74 GLN HA . 7268 1 875 . 1 1 74 74 GLN HB2 H 1 2.069 0.02 . 2 . . . . 74 GLN HB1 . 7268 1 876 . 1 1 74 74 GLN HB3 H 1 1.855 0.02 . 2 . . . . 74 GLN HB2 . 7268 1 877 . 1 1 74 74 GLN HG2 H 1 2.057 0.02 . 2 . . . . 74 GLN HG1 . 7268 1 878 . 1 1 74 74 GLN HG3 H 1 1.956 0.02 . 2 . . . . 74 GLN HG2 . 7268 1 879 . 1 1 74 74 GLN HE21 H 1 7.364 0.02 . 2 . . . . 74 GLN HE21 . 7268 1 880 . 1 1 74 74 GLN HE22 H 1 6.748 0.02 . 2 . . . . 74 GLN HE22 . 7268 1 881 . 1 1 74 74 GLN C C 13 173.033 0.1 . 1 . . . . 74 GLN C . 7268 1 882 . 1 1 74 74 GLN CA C 13 55.336 0.1 . 1 . . . . 74 GLN CA . 7268 1 883 . 1 1 74 74 GLN CB C 13 29.020 0.1 . 1 . . . . 74 GLN CB . 7268 1 884 . 1 1 74 74 GLN CG C 13 34.433 0.1 . 1 . . . . 74 GLN CG . 7268 1 885 . 1 1 74 74 GLN N N 15 123.131 0.1 . 1 . . . . 74 GLN N . 7268 1 886 . 1 1 74 74 GLN NE2 N 15 112.772 0.1 . 1 . . . . 74 GLN NE2 . 7268 1 887 . 1 1 75 75 LEU H H 1 8.373 0.02 . 1 . . . . 75 LEU HN . 7268 1 888 . 1 1 75 75 LEU HA H 1 4.952 0.02 . 1 . . . . 75 LEU HA . 7268 1 889 . 1 1 75 75 LEU HB2 H 1 1.566 0.02 . 2 . . . . 75 LEU HB1 . 7268 1 890 . 1 1 75 75 LEU HB3 H 1 1.384 0.02 . 2 . . . . 75 LEU HB2 . 7268 1 891 . 1 1 75 75 LEU HG H 1 1.308 0.02 . 1 . . . . 75 LEU HG . 7268 1 892 . 1 1 75 75 LEU HD11 H 1 0.635 0.02 . 4 . . . . 75 LEU HD1 . 7268 1 893 . 1 1 75 75 LEU HD12 H 1 0.635 0.02 . 4 . . . . 75 LEU HD1 . 7268 1 894 . 1 1 75 75 LEU HD13 H 1 0.635 0.02 . 4 . . . . 75 LEU HD1 . 7268 1 895 . 1 1 75 75 LEU HD21 H 1 0.119 0.02 . 4 . . . . 75 LEU HD2 . 7268 1 896 . 1 1 75 75 LEU HD22 H 1 0.119 0.02 . 4 . . . . 75 LEU HD2 . 7268 1 897 . 1 1 75 75 LEU HD23 H 1 0.119 0.02 . 4 . . . . 75 LEU HD2 . 7268 1 898 . 1 1 75 75 LEU C C 13 175.757 0.1 . 1 . . . . 75 LEU C . 7268 1 899 . 1 1 75 75 LEU CA C 13 52.597 0.1 . 1 . . . . 75 LEU CA . 7268 1 900 . 1 1 75 75 LEU CB C 13 43.896 0.1 . 1 . . . . 75 LEU CB . 7268 1 901 . 1 1 75 75 LEU CG C 13 27.460 0.1 . 1 . . . . 75 LEU CG . 7268 1 902 . 1 1 75 75 LEU CD1 C 13 23.781 0.1 . 2 . . . . 75 LEU CD1 . 7268 1 903 . 1 1 75 75 LEU CD2 C 13 25.616 0.1 . 2 . . . . 75 LEU CD2 . 7268 1 904 . 1 1 75 75 LEU N N 15 125.220 0.1 . 1 . . . . 75 LEU N . 7268 1 905 . 1 1 76 76 PHE H H 1 8.844 0.02 . 1 . . . . 76 PHE HN . 7268 1 906 . 1 1 76 76 PHE HA H 1 5.186 0.02 . 1 . . . . 76 PHE HA . 7268 1 907 . 1 1 76 76 PHE HB2 H 1 2.890 0.02 . 1 . . . . 76 PHE HB1 . 7268 1 908 . 1 1 76 76 PHE HB3 H 1 2.624 0.02 . 1 . . . . 76 PHE HB2 . 7268 1 909 . 1 1 76 76 PHE HD1 H 1 6.811 0.02 . 3 . . . . 76 PHE HD1 . 7268 1 910 . 1 1 76 76 PHE HE1 H 1 7.221 0.02 . 3 . . . . 76 PHE HE1 . 7268 1 911 . 1 1 76 76 PHE HZ H 1 7.168 0.02 . 1 . . . . 76 PHE HZ . 7268 1 912 . 1 1 76 76 PHE C C 13 174.423 0.1 . 1 . . . . 76 PHE C . 7268 1 913 . 1 1 76 76 PHE CA C 13 57.042 0.1 . 1 . . . . 76 PHE CA . 7268 1 914 . 1 1 76 76 PHE CB C 13 42.550 0.1 . 1 . . . . 76 PHE CB . 7268 1 915 . 1 1 76 76 PHE CD1 C 13 131.851 0.1 . 3 . . . . 76 PHE CD1 . 7268 1 916 . 1 1 76 76 PHE CE1 C 13 131.598 0.1 . 3 . . . . 76 PHE CE1 . 7268 1 917 . 1 1 76 76 PHE CZ C 13 129.568 0.1 . 1 . . . . 76 PHE CZ . 7268 1 918 . 1 1 76 76 PHE N N 15 116.176 0.1 . 1 . . . . 76 PHE N . 7268 1 919 . 1 1 77 77 VAL H H 1 9.428 0.02 . 1 . . . . 77 VAL HN . 7268 1 920 . 1 1 77 77 VAL HA H 1 5.516 0.02 . 1 . . . . 77 VAL HA . 7268 1 921 . 1 1 77 77 VAL HB H 1 1.785 0.02 . 1 . . . . 77 VAL HB . 7268 1 922 . 1 1 77 77 VAL HG11 H 1 0.971 0.02 . 4 . . . . 77 VAL HG1 . 7268 1 923 . 1 1 77 77 VAL HG12 H 1 0.971 0.02 . 4 . . . . 77 VAL HG1 . 7268 1 924 . 1 1 77 77 VAL HG13 H 1 0.971 0.02 . 4 . . . . 77 VAL HG1 . 7268 1 925 . 1 1 77 77 VAL HG21 H 1 0.937 0.02 . 4 . . . . 77 VAL HG2 . 7268 1 926 . 1 1 77 77 VAL HG22 H 1 0.937 0.02 . 4 . . . . 77 VAL HG2 . 7268 1 927 . 1 1 77 77 VAL HG23 H 1 0.937 0.02 . 4 . . . . 77 VAL HG2 . 7268 1 928 . 1 1 77 77 VAL C C 13 173.183 0.1 . 1 . . . . 77 VAL C . 7268 1 929 . 1 1 77 77 VAL CA C 13 59.118 0.1 . 1 . . . . 77 VAL CA . 7268 1 930 . 1 1 77 77 VAL CB C 13 35.850 0.1 . 1 . . . . 77 VAL CB . 7268 1 931 . 1 1 77 77 VAL CG1 C 13 22.732 0.1 . 2 . . . . 77 VAL CG1 . 7268 1 932 . 1 1 77 77 VAL CG2 C 13 20.972 0.1 . 2 . . . . 77 VAL CG2 . 7268 1 933 . 1 1 77 77 VAL N N 15 119.634 0.1 . 1 . . . . 77 VAL N . 7268 1 934 . 1 1 78 78 GLU H H 1 8.856 0.02 . 1 . . . . 78 GLU HN . 7268 1 935 . 1 1 78 78 GLU HA H 1 5.243 0.02 . 1 . . . . 78 GLU HA . 7268 1 936 . 1 1 78 78 GLU HB2 H 1 2.019 0.02 . 2 . . . . 78 GLU HB1 . 7268 1 937 . 1 1 78 78 GLU HG2 H 1 2.003 0.02 . 2 . . . . 78 GLU HG1 . 7268 1 938 . 1 1 78 78 GLU C C 13 176.065 0.1 . 1 . . . . 78 GLU C . 7268 1 939 . 1 1 78 78 GLU CA C 13 54.278 0.1 . 1 . . . . 78 GLU CA . 7268 1 940 . 1 1 78 78 GLU CB C 13 36.100 0.1 . 1 . . . . 78 GLU CB . 7268 1 941 . 1 1 78 78 GLU CG C 13 36.976 0.1 . 1 . . . . 78 GLU CG . 7268 1 942 . 1 1 78 78 GLU N N 15 124.233 0.1 . 1 . . . . 78 GLU N . 7268 1 943 . 1 1 79 79 THR H H 1 8.538 0.02 . 1 . . . . 79 THR HN . 7268 1 944 . 1 1 79 79 THR HA H 1 5.307 0.02 . 1 . . . . 79 THR HA . 7268 1 945 . 1 1 79 79 THR HB H 1 3.888 0.02 . 1 . . . . 79 THR HB . 7268 1 946 . 1 1 79 79 THR HG21 H 1 0.841 0.02 . 1 . . . . 79 THR HG2 . 7268 1 947 . 1 1 79 79 THR HG22 H 1 0.841 0.02 . 1 . . . . 79 THR HG2 . 7268 1 948 . 1 1 79 79 THR HG23 H 1 0.841 0.02 . 1 . . . . 79 THR HG2 . 7268 1 949 . 1 1 79 79 THR C C 13 175.739 0.1 . 1 . . . . 79 THR C . 7268 1 950 . 1 1 79 79 THR CA C 13 59.836 0.1 . 1 . . . . 79 THR CA . 7268 1 951 . 1 1 79 79 THR CB C 13 70.819 0.1 . 1 . . . . 79 THR CB . 7268 1 952 . 1 1 79 79 THR CG2 C 13 23.766 0.1 . 1 . . . . 79 THR CG2 . 7268 1 953 . 1 1 79 79 THR N N 15 111.158 0.1 . 1 . . . . 79 THR N . 7268 1 954 . 1 1 80 80 THR H H 1 9.443 0.02 . 1 . . . . 80 THR HN . 7268 1 955 . 1 1 80 80 THR HA H 1 5.324 0.02 . 1 . . . . 80 THR HA . 7268 1 956 . 1 1 80 80 THR HB H 1 3.759 0.02 . 1 . . . . 80 THR HB . 7268 1 957 . 1 1 80 80 THR HG21 H 1 0.765 0.02 . 1 . . . . 80 THR HG2 . 7268 1 958 . 1 1 80 80 THR HG22 H 1 0.765 0.02 . 1 . . . . 80 THR HG2 . 7268 1 959 . 1 1 80 80 THR HG23 H 1 0.765 0.02 . 1 . . . . 80 THR HG2 . 7268 1 960 . 1 1 80 80 THR C C 13 173.675 0.1 . 1 . . . . 80 THR C . 7268 1 961 . 1 1 80 80 THR CA C 13 59.214 0.1 . 1 . . . . 80 THR CA . 7268 1 962 . 1 1 80 80 THR CB C 13 72.089 0.1 . 1 . . . . 80 THR CB . 7268 1 963 . 1 1 80 80 THR CG2 C 13 19.956 0.1 . 1 . . . . 80 THR CG2 . 7268 1 964 . 1 1 80 80 THR N N 15 113.718 0.1 . 1 . . . . 80 THR N . 7268 1 965 . 1 1 81 81 ASP H H 1 8.613 0.02 . 1 . . . . 81 ASP HN . 7268 1 966 . 1 1 81 81 ASP HA H 1 4.729 0.02 . 1 . . . . 81 ASP HA . 7268 1 967 . 1 1 81 81 ASP HB2 H 1 3.419 0.02 . 2 . . . . 81 ASP HB1 . 7268 1 968 . 1 1 81 81 ASP HB3 H 1 2.612 0.02 . 2 . . . . 81 ASP HB2 . 7268 1 969 . 1 1 81 81 ASP C C 13 179.397 0.1 . 1 . . . . 81 ASP C . 7268 1 970 . 1 1 81 81 ASP CA C 13 52.244 0.1 . 1 . . . . 81 ASP CA . 7268 1 971 . 1 1 81 81 ASP CB C 13 41.556 0.1 . 1 . . . . 81 ASP CB . 7268 1 972 . 1 1 81 81 ASP N N 15 119.384 0.1 . 1 . . . . 81 ASP N . 7268 1 973 . 1 1 82 82 VAL H H 1 8.294 0.02 . 1 . . . . 82 VAL HN . 7268 1 974 . 1 1 82 82 VAL HA H 1 3.800 0.02 . 1 . . . . 82 VAL HA . 7268 1 975 . 1 1 82 82 VAL HB H 1 2.174 0.02 . 1 . . . . 82 VAL HB . 7268 1 976 . 1 1 82 82 VAL HG11 H 1 0.930 0.02 . 4 . . . . 82 VAL HG1 . 7268 1 977 . 1 1 82 82 VAL HG12 H 1 0.930 0.02 . 4 . . . . 82 VAL HG1 . 7268 1 978 . 1 1 82 82 VAL HG13 H 1 0.930 0.02 . 4 . . . . 82 VAL HG1 . 7268 1 979 . 1 1 82 82 VAL HG21 H 1 0.915 0.02 . 4 . . . . 82 VAL HG2 . 7268 1 980 . 1 1 82 82 VAL HG22 H 1 0.915 0.02 . 4 . . . . 82 VAL HG2 . 7268 1 981 . 1 1 82 82 VAL HG23 H 1 0.915 0.02 . 4 . . . . 82 VAL HG2 . 7268 1 982 . 1 1 82 82 VAL C C 13 175.834 0.1 . 1 . . . . 82 VAL C . 7268 1 983 . 1 1 82 82 VAL CA C 13 64.648 0.1 . 1 . . . . 82 VAL CA . 7268 1 984 . 1 1 82 82 VAL CB C 13 31.689 0.1 . 1 . . . . 82 VAL CB . 7268 1 985 . 1 1 82 82 VAL CG1 C 13 20.283 0.1 . 2 . . . . 82 VAL CG1 . 7268 1 986 . 1 1 82 82 VAL CG2 C 13 20.400 0.1 . 2 . . . . 82 VAL CG2 . 7268 1 987 . 1 1 82 82 VAL N N 15 115.644 0.1 . 1 . . . . 82 VAL N . 7268 1 988 . 1 1 83 83 ASN H H 1 7.917 0.02 . 1 . . . . 83 ASN HN . 7268 1 989 . 1 1 83 83 ASN HA H 1 4.854 0.02 . 1 . . . . 83 ASN HA . 7268 1 990 . 1 1 83 83 ASN HB2 H 1 2.945 0.02 . 2 . . . . 83 ASN HB1 . 7268 1 991 . 1 1 83 83 ASN HB3 H 1 2.775 0.02 . 2 . . . . 83 ASN HB2 . 7268 1 992 . 1 1 83 83 ASN HD21 H 1 7.909 0.02 . 2 . . . . 83 ASN HD21 . 7268 1 993 . 1 1 83 83 ASN HD22 H 1 6.905 0.02 . 2 . . . . 83 ASN HD22 . 7268 1 994 . 1 1 83 83 ASN C C 13 175.680 0.1 . 1 . . . . 83 ASN C . 7268 1 995 . 1 1 83 83 ASN CA C 13 53.079 0.1 . 1 . . . . 83 ASN CA . 7268 1 996 . 1 1 83 83 ASN CB C 13 39.505 0.1 . 1 . . . . 83 ASN CB . 7268 1 997 . 1 1 83 83 ASN N N 15 117.119 0.1 . 1 . . . . 83 ASN N . 7268 1 998 . 1 1 83 83 ASN ND2 N 15 114.654 0.1 . 1 . . . . 83 ASN ND2 . 7268 1 999 . 1 1 84 84 GLY H H 1 8.020 0.02 . 1 . . . . 84 GLY HN . 7268 1 1000 . 1 1 84 84 GLY HA2 H 1 4.234 0.02 . 2 . . . . 84 GLY HA1 . 7268 1 1001 . 1 1 84 84 GLY HA3 H 1 3.437 0.02 . 2 . . . . 84 GLY HA2 . 7268 1 1002 . 1 1 84 84 GLY C C 13 173.612 0.1 . 1 . . . . 84 GLY C . 7268 1 1003 . 1 1 84 84 GLY CA C 13 45.259 0.1 . 1 . . . . 84 GLY CA . 7268 1 1004 . 1 1 84 84 GLY N N 15 107.851 0.1 . 1 . . . . 84 GLY N . 7268 1 1005 . 1 1 85 85 LYS H H 1 8.379 0.02 . 1 . . . . 85 LYS HN . 7268 1 1006 . 1 1 85 85 LYS HA H 1 4.276 0.02 . 1 . . . . 85 LYS HA . 7268 1 1007 . 1 1 85 85 LYS HB2 H 1 1.789 0.02 . 2 . . . . 85 LYS HB1 . 7268 1 1008 . 1 1 85 85 LYS HB3 H 1 1.713 0.02 . 2 . . . . 85 LYS HB2 . 7268 1 1009 . 1 1 85 85 LYS HG2 H 1 1.397 0.02 . 2 . . . . 85 LYS HG1 . 7268 1 1010 . 1 1 85 85 LYS HG3 H 1 1.234 0.02 . 2 . . . . 85 LYS HG2 . 7268 1 1011 . 1 1 85 85 LYS HD2 H 1 1.630 0.02 . 2 . . . . 85 LYS HD1 . 7268 1 1012 . 1 1 85 85 LYS HD3 H 1 1.567 0.02 . 2 . . . . 85 LYS HD2 . 7268 1 1013 . 1 1 85 85 LYS HE2 H 1 2.949 0.02 . 2 . . . . 85 LYS HE1 . 7268 1 1014 . 1 1 85 85 LYS C C 13 176.717 0.1 . 1 . . . . 85 LYS C . 7268 1 1015 . 1 1 85 85 LYS CA C 13 55.863 0.1 . 1 . . . . 85 LYS CA . 7268 1 1016 . 1 1 85 85 LYS CB C 13 32.500 0.1 . 1 . . . . 85 LYS CB . 7268 1 1017 . 1 1 85 85 LYS CG C 13 24.943 0.1 . 1 . . . . 85 LYS CG . 7268 1 1018 . 1 1 85 85 LYS CD C 13 29.086 0.1 . 1 . . . . 85 LYS CD . 7268 1 1019 . 1 1 85 85 LYS CE C 13 42.237 0.1 . 1 . . . . 85 LYS CE . 7268 1 1020 . 1 1 85 85 LYS N N 15 123.534 0.1 . 1 . . . . 85 LYS N . 7268 1 1021 . 1 1 86 86 THR H H 1 8.519 0.02 . 1 . . . . 86 THR HN . 7268 1 1022 . 1 1 86 86 THR HA H 1 3.831 0.02 . 1 . . . . 86 THR HA . 7268 1 1023 . 1 1 86 86 THR HB H 1 3.729 0.02 . 1 . . . . 86 THR HB . 7268 1 1024 . 1 1 86 86 THR HG21 H 1 1.019 0.02 . 1 . . . . 86 THR HG2 . 7268 1 1025 . 1 1 86 86 THR HG22 H 1 1.019 0.02 . 1 . . . . 86 THR HG2 . 7268 1 1026 . 1 1 86 86 THR HG23 H 1 1.019 0.02 . 1 . . . . 86 THR HG2 . 7268 1 1027 . 1 1 86 86 THR C C 13 174.189 0.1 . 1 . . . . 86 THR C . 7268 1 1028 . 1 1 86 86 THR CA C 13 66.247 0.1 . 1 . . . . 86 THR CA . 7268 1 1029 . 1 1 86 86 THR CB C 13 69.512 0.1 . 1 . . . . 86 THR CB . 7268 1 1030 . 1 1 86 86 THR CG2 C 13 22.316 0.1 . 1 . . . . 86 THR CG2 . 7268 1 1031 . 1 1 86 86 THR N N 15 122.588 0.1 . 1 . . . . 86 THR N . 7268 1 1032 . 1 1 87 87 LEU H H 1 9.450 0.02 . 1 . . . . 87 LEU HN . 7268 1 1033 . 1 1 87 87 LEU HA H 1 4.379 0.02 . 1 . . . . 87 LEU HA . 7268 1 1034 . 1 1 87 87 LEU HB2 H 1 1.749 0.02 . 1 . . . . 87 LEU HB1 . 7268 1 1035 . 1 1 87 87 LEU HB3 H 1 1.339 0.02 . 1 . . . . 87 LEU HB2 . 7268 1 1036 . 1 1 87 87 LEU HG H 1 1.529 0.02 . 1 . . . . 87 LEU HG . 7268 1 1037 . 1 1 87 87 LEU HD11 H 1 0.780 0.02 . 4 . . . . 87 LEU HD1 . 7268 1 1038 . 1 1 87 87 LEU HD12 H 1 0.780 0.02 . 4 . . . . 87 LEU HD1 . 7268 1 1039 . 1 1 87 87 LEU HD13 H 1 0.780 0.02 . 4 . . . . 87 LEU HD1 . 7268 1 1040 . 1 1 87 87 LEU HD21 H 1 0.651 0.02 . 4 . . . . 87 LEU HD2 . 7268 1 1041 . 1 1 87 87 LEU HD22 H 1 0.651 0.02 . 4 . . . . 87 LEU HD2 . 7268 1 1042 . 1 1 87 87 LEU HD23 H 1 0.651 0.02 . 4 . . . . 87 LEU HD2 . 7268 1 1043 . 1 1 87 87 LEU C C 13 176.248 0.1 . 1 . . . . 87 LEU C . 7268 1 1044 . 1 1 87 87 LEU CA C 13 55.533 0.1 . 1 . . . . 87 LEU CA . 7268 1 1045 . 1 1 87 87 LEU CB C 13 41.983 0.1 . 1 . . . . 87 LEU CB . 7268 1 1046 . 1 1 87 87 LEU CG C 13 26.642 0.1 . 1 . . . . 87 LEU CG . 7268 1 1047 . 1 1 87 87 LEU CD1 C 13 22.375 0.1 . 2 . . . . 87 LEU CD1 . 7268 1 1048 . 1 1 87 87 LEU CD2 C 13 25.935 0.1 . 2 . . . . 87 LEU CD2 . 7268 1 1049 . 1 1 87 87 LEU N N 15 129.149 0.1 . 1 . . . . 87 LEU N . 7268 1 1050 . 1 1 88 88 GLU H H 1 7.544 0.02 . 1 . . . . 88 GLU HN . 7268 1 1051 . 1 1 88 88 GLU HA H 1 4.438 0.02 . 1 . . . . 88 GLU HA . 7268 1 1052 . 1 1 88 88 GLU HB2 H 1 1.934 0.02 . 2 . . . . 88 GLU HB1 . 7268 1 1053 . 1 1 88 88 GLU HG2 H 1 2.352 0.02 . 2 . . . . 88 GLU HG1 . 7268 1 1054 . 1 1 88 88 GLU HG3 H 1 2.101 0.02 . 2 . . . . 88 GLU HG2 . 7268 1 1055 . 1 1 88 88 GLU C C 13 174.392 0.1 . 1 . . . . 88 GLU C . 7268 1 1056 . 1 1 88 88 GLU CA C 13 55.792 0.1 . 1 . . . . 88 GLU CA . 7268 1 1057 . 1 1 88 88 GLU CB C 13 32.573 0.1 . 1 . . . . 88 GLU CB . 7268 1 1058 . 1 1 88 88 GLU CG C 13 36.355 0.1 . 1 . . . . 88 GLU CG . 7268 1 1059 . 1 1 88 88 GLU N N 15 119.927 0.1 . 1 . . . . 88 GLU N . 7268 1 1060 . 1 1 89 89 GLY H H 1 8.471 0.02 . 1 . . . . 89 GLY HN . 7268 1 1061 . 1 1 89 89 GLY HA2 H 1 4.731 0.02 . 2 . . . . 89 GLY HA1 . 7268 1 1062 . 1 1 89 89 GLY HA3 H 1 3.473 0.02 . 2 . . . . 89 GLY HA2 . 7268 1 1063 . 1 1 89 89 GLY CA C 13 43.322 0.1 . 1 . . . . 89 GLY CA . 7268 1 1064 . 1 1 89 89 GLY N N 15 109.864 0.1 . 1 . . . . 89 GLY N . 7268 1 1065 . 1 1 90 90 PRO HA H 1 4.758 0.02 . 1 . . . . 90 PRO HA . 7268 1 1066 . 1 1 90 90 PRO HB2 H 1 2.296 0.02 . 2 . . . . 90 PRO HB1 . 7268 1 1067 . 1 1 90 90 PRO HB3 H 1 1.857 0.02 . 2 . . . . 90 PRO HB2 . 7268 1 1068 . 1 1 90 90 PRO HG2 H 1 1.786 0.02 . 2 . . . . 90 PRO HG1 . 7268 1 1069 . 1 1 90 90 PRO HG3 H 1 1.611 0.02 . 2 . . . . 90 PRO HG2 . 7268 1 1070 . 1 1 90 90 PRO HD2 H 1 3.622 0.02 . 2 . . . . 90 PRO HD1 . 7268 1 1071 . 1 1 90 90 PRO HD3 H 1 3.400 0.02 . 2 . . . . 90 PRO HD2 . 7268 1 1072 . 1 1 90 90 PRO C C 13 176.443 0.1 . 1 . . . . 90 PRO C . 7268 1 1073 . 1 1 90 90 PRO CA C 13 62.001 0.1 . 1 . . . . 90 PRO CA . 7268 1 1074 . 1 1 90 90 PRO CB C 13 35.285 0.1 . 1 . . . . 90 PRO CB . 7268 1 1075 . 1 1 90 90 PRO CG C 13 25.389 0.1 . 1 . . . . 90 PRO CG . 7268 1 1076 . 1 1 90 90 PRO CD C 13 50.676 0.1 . 1 . . . . 90 PRO CD . 7268 1 1077 . 1 1 91 91 VAL H H 1 9.800 0.02 . 1 . . . . 91 VAL HN . 7268 1 1078 . 1 1 91 91 VAL HA H 1 4.868 0.02 . 1 . . . . 91 VAL HA . 7268 1 1079 . 1 1 91 91 VAL HB H 1 2.162 0.02 . 1 . . . . 91 VAL HB . 7268 1 1080 . 1 1 91 91 VAL HG11 H 1 1.025 0.02 . 1 . . . . 91 VAL HG1 . 7268 1 1081 . 1 1 91 91 VAL HG12 H 1 1.025 0.02 . 1 . . . . 91 VAL HG1 . 7268 1 1082 . 1 1 91 91 VAL HG13 H 1 1.025 0.02 . 1 . . . . 91 VAL HG1 . 7268 1 1083 . 1 1 91 91 VAL HG21 H 1 0.978 0.02 . 1 . . . . 91 VAL HG2 . 7268 1 1084 . 1 1 91 91 VAL HG22 H 1 0.978 0.02 . 1 . . . . 91 VAL HG2 . 7268 1 1085 . 1 1 91 91 VAL HG23 H 1 0.978 0.02 . 1 . . . . 91 VAL HG2 . 7268 1 1086 . 1 1 91 91 VAL CA C 13 59.086 0.1 . 1 . . . . 91 VAL CA . 7268 1 1087 . 1 1 91 91 VAL CB C 13 34.348 0.1 . 1 . . . . 91 VAL CB . 7268 1 1088 . 1 1 91 91 VAL CG1 C 13 21.452 0.1 . 1 . . . . 91 VAL CG1 . 7268 1 1089 . 1 1 91 91 VAL CG2 C 13 21.664 0.1 . 1 . . . . 91 VAL CG2 . 7268 1 1090 . 1 1 91 91 VAL N N 15 125.128 0.1 . 1 . . . . 91 VAL N . 7268 1 1091 . 1 1 92 92 PRO HA H 1 4.481 0.02 . 1 . . . . 92 PRO HA . 7268 1 1092 . 1 1 92 92 PRO HB2 H 1 2.047 0.02 . 2 . . . . 92 PRO HB1 . 7268 1 1093 . 1 1 92 92 PRO HB3 H 1 1.778 0.02 . 2 . . . . 92 PRO HB2 . 7268 1 1094 . 1 1 92 92 PRO HG2 H 1 2.111 0.02 . 2 . . . . 92 PRO HG1 . 7268 1 1095 . 1 1 92 92 PRO HG3 H 1 2.026 0.02 . 2 . . . . 92 PRO HG2 . 7268 1 1096 . 1 1 92 92 PRO HD2 H 1 3.961 0.02 . 2 . . . . 92 PRO HD1 . 7268 1 1097 . 1 1 92 92 PRO HD3 H 1 3.810 0.02 . 2 . . . . 92 PRO HD2 . 7268 1 1098 . 1 1 92 92 PRO C C 13 175.153 0.1 . 1 . . . . 92 PRO C . 7268 1 1099 . 1 1 92 92 PRO CA C 13 62.812 0.1 . 1 . . . . 92 PRO CA . 7268 1 1100 . 1 1 92 92 PRO CB C 13 32.586 0.1 . 1 . . . . 92 PRO CB . 7268 1 1101 . 1 1 92 92 PRO CG C 13 27.561 0.1 . 1 . . . . 92 PRO CG . 7268 1 1102 . 1 1 92 92 PRO CD C 13 51.420 0.1 . 1 . . . . 92 PRO CD . 7268 1 1103 . 1 1 93 93 LEU H H 1 8.243 0.02 . 1 . . . . 93 LEU HN . 7268 1 1104 . 1 1 93 93 LEU HA H 1 4.384 0.02 . 1 . . . . 93 LEU HA . 7268 1 1105 . 1 1 93 93 LEU HB2 H 1 1.182 0.02 . 2 . . . . 93 LEU HB1 . 7268 1 1106 . 1 1 93 93 LEU HB3 H 1 1.045 0.02 . 2 . . . . 93 LEU HB2 . 7268 1 1107 . 1 1 93 93 LEU HG H 1 1.139 0.02 . 1 . . . . 93 LEU HG . 7268 1 1108 . 1 1 93 93 LEU HD11 H 1 0.616 0.02 . 4 . . . . 93 LEU HD1 . 7268 1 1109 . 1 1 93 93 LEU HD12 H 1 0.616 0.02 . 4 . . . . 93 LEU HD1 . 7268 1 1110 . 1 1 93 93 LEU HD13 H 1 0.616 0.02 . 4 . . . . 93 LEU HD1 . 7268 1 1111 . 1 1 93 93 LEU HD21 H 1 0.431 0.02 . 4 . . . . 93 LEU HD2 . 7268 1 1112 . 1 1 93 93 LEU HD22 H 1 0.431 0.02 . 4 . . . . 93 LEU HD2 . 7268 1 1113 . 1 1 93 93 LEU HD23 H 1 0.431 0.02 . 4 . . . . 93 LEU HD2 . 7268 1 1114 . 1 1 93 93 LEU C C 13 173.659 0.1 . 1 . . . . 93 LEU C . 7268 1 1115 . 1 1 93 93 LEU CA C 13 53.943 0.1 . 1 . . . . 93 LEU CA . 7268 1 1116 . 1 1 93 93 LEU CB C 13 44.985 0.1 . 1 . . . . 93 LEU CB . 7268 1 1117 . 1 1 93 93 LEU CG C 13 27.113 0.1 . 1 . . . . 93 LEU CG . 7268 1 1118 . 1 1 93 93 LEU CD1 C 13 24.807 0.1 . 2 . . . . 93 LEU CD1 . 7268 1 1119 . 1 1 93 93 LEU CD2 C 13 25.750 0.1 . 2 . . . . 93 LEU CD2 . 7268 1 1120 . 1 1 93 93 LEU N N 15 123.848 0.1 . 1 . . . . 93 LEU N . 7268 1 1121 . 1 1 94 94 GLU H H 1 8.367 0.02 . 1 . . . . 94 GLU HN . 7268 1 1122 . 1 1 94 94 GLU HA H 1 4.715 0.02 . 1 . . . . 94 GLU HA . 7268 1 1123 . 1 1 94 94 GLU HB2 H 1 1.751 0.02 . 2 . . . . 94 GLU HB1 . 7268 1 1124 . 1 1 94 94 GLU HG2 H 1 2.046 0.02 . 2 . . . . 94 GLU HG1 . 7268 1 1125 . 1 1 94 94 GLU HG3 H 1 1.966 0.02 . 2 . . . . 94 GLU HG2 . 7268 1 1126 . 1 1 94 94 GLU C C 13 174.831 0.1 . 1 . . . . 94 GLU C . 7268 1 1127 . 1 1 94 94 GLU CA C 13 55.690 0.1 . 1 . . . . 94 GLU CA . 7268 1 1128 . 1 1 94 94 GLU CB C 13 32.209 0.1 . 1 . . . . 94 GLU CB . 7268 1 1129 . 1 1 94 94 GLU CG C 13 37.217 0.1 . 1 . . . . 94 GLU CG . 7268 1 1130 . 1 1 94 94 GLU N N 15 124.957 0.1 . 1 . . . . 94 GLU N . 7268 1 1131 . 1 1 95 95 VAL H H 1 8.297 0.02 . 1 . . . . 95 VAL HN . 7268 1 1132 . 1 1 95 95 VAL HA H 1 4.805 0.02 . 1 . . . . 95 VAL HA . 7268 1 1133 . 1 1 95 95 VAL HB H 1 1.698 0.02 . 1 . . . . 95 VAL HB . 7268 1 1134 . 1 1 95 95 VAL HG11 H 1 0.596 0.02 . 1 . . . . 95 VAL HG1 . 7268 1 1135 . 1 1 95 95 VAL HG12 H 1 0.596 0.02 . 1 . . . . 95 VAL HG1 . 7268 1 1136 . 1 1 95 95 VAL HG13 H 1 0.596 0.02 . 1 . . . . 95 VAL HG1 . 7268 1 1137 . 1 1 95 95 VAL HG21 H 1 0.098 0.02 . 1 . . . . 95 VAL HG2 . 7268 1 1138 . 1 1 95 95 VAL HG22 H 1 0.098 0.02 . 1 . . . . 95 VAL HG2 . 7268 1 1139 . 1 1 95 95 VAL HG23 H 1 0.098 0.02 . 1 . . . . 95 VAL HG2 . 7268 1 1140 . 1 1 95 95 VAL C C 13 174.642 0.1 . 1 . . . . 95 VAL C . 7268 1 1141 . 1 1 95 95 VAL CA C 13 60.780 0.1 . 1 . . . . 95 VAL CA . 7268 1 1142 . 1 1 95 95 VAL CB C 13 33.190 0.1 . 1 . . . . 95 VAL CB . 7268 1 1143 . 1 1 95 95 VAL CG1 C 13 21.454 0.1 . 1 . . . . 95 VAL CG1 . 7268 1 1144 . 1 1 95 95 VAL CG2 C 13 19.747 0.1 . 1 . . . . 95 VAL CG2 . 7268 1 1145 . 1 1 95 95 VAL N N 15 122.603 0.1 . 1 . . . . 95 VAL N . 7268 1 1146 . 1 1 96 96 ILE H H 1 9.109 0.02 . 1 . . . . 96 ILE HN . 7268 1 1147 . 1 1 96 96 ILE HA H 1 4.534 0.02 . 1 . . . . 96 ILE HA . 7268 1 1148 . 1 1 96 96 ILE HB H 1 1.695 0.02 . 1 . . . . 96 ILE HB . 7268 1 1149 . 1 1 96 96 ILE HG12 H 1 1.394 0.02 . 9 . . . . 96 ILE HG11 . 7268 1 1150 . 1 1 96 96 ILE HG13 H 1 0.993 0.02 . 9 . . . . 96 ILE HG12 . 7268 1 1151 . 1 1 96 96 ILE HG21 H 1 0.790 0.02 . 4 . . . . 96 ILE HG2 . 7268 1 1152 . 1 1 96 96 ILE HG22 H 1 0.790 0.02 . 4 . . . . 96 ILE HG2 . 7268 1 1153 . 1 1 96 96 ILE HG23 H 1 0.790 0.02 . 4 . . . . 96 ILE HG2 . 7268 1 1154 . 1 1 96 96 ILE HD11 H 1 0.747 0.02 . 1 . . . . 96 ILE HD1 . 7268 1 1155 . 1 1 96 96 ILE HD12 H 1 0.747 0.02 . 1 . . . . 96 ILE HD1 . 7268 1 1156 . 1 1 96 96 ILE HD13 H 1 0.747 0.02 . 1 . . . . 96 ILE HD1 . 7268 1 1157 . 1 1 96 96 ILE C C 13 174.529 0.1 . 1 . . . . 96 ILE C . 7268 1 1158 . 1 1 96 96 ILE CA C 13 60.428 0.1 . 1 . . . . 96 ILE CA . 7268 1 1159 . 1 1 96 96 ILE CB C 13 40.864 0.1 . 1 . . . . 96 ILE CB . 7268 1 1160 . 1 1 96 96 ILE CG1 C 13 28.170 0.1 . 1 . . . . 96 ILE CG1 . 7268 1 1161 . 1 1 96 96 ILE CG2 C 13 17.907 0.1 . 1 . . . . 96 ILE CG2 . 7268 1 1162 . 1 1 96 96 ILE CD1 C 13 13.652 0.1 . 1 . . . . 96 ILE CD1 . 7268 1 1163 . 1 1 96 96 ILE N N 15 127.734 0.1 . 1 . . . . 96 ILE N . 7268 1 1164 . 1 1 97 97 VAL H H 1 8.541 0.02 . 1 . . . . 97 VAL HN . 7268 1 1165 . 1 1 97 97 VAL HA H 1 4.982 0.02 . 1 . . . . 97 VAL HA . 7268 1 1166 . 1 1 97 97 VAL HB H 1 2.099 0.02 . 1 . . . . 97 VAL HB . 7268 1 1167 . 1 1 97 97 VAL HG11 H 1 1.087 0.02 . 1 . . . . 97 VAL HG1 . 7268 1 1168 . 1 1 97 97 VAL HG12 H 1 1.087 0.02 . 1 . . . . 97 VAL HG1 . 7268 1 1169 . 1 1 97 97 VAL HG13 H 1 1.087 0.02 . 1 . . . . 97 VAL HG1 . 7268 1 1170 . 1 1 97 97 VAL HG21 H 1 0.912 0.02 . 1 . . . . 97 VAL HG2 . 7268 1 1171 . 1 1 97 97 VAL HG22 H 1 0.912 0.02 . 1 . . . . 97 VAL HG2 . 7268 1 1172 . 1 1 97 97 VAL HG23 H 1 0.912 0.02 . 1 . . . . 97 VAL HG2 . 7268 1 1173 . 1 1 97 97 VAL C C 13 176.703 0.1 . 1 . . . . 97 VAL C . 7268 1 1174 . 1 1 97 97 VAL CA C 13 61.477 0.1 . 1 . . . . 97 VAL CA . 7268 1 1175 . 1 1 97 97 VAL CB C 13 31.884 0.1 . 1 . . . . 97 VAL CB . 7268 1 1176 . 1 1 97 97 VAL CG1 C 13 22.015 0.1 . 1 . . . . 97 VAL CG1 . 7268 1 1177 . 1 1 97 97 VAL CG2 C 13 22.653 0.1 . 1 . . . . 97 VAL CG2 . 7268 1 1178 . 1 1 97 97 VAL N N 15 127.422 0.1 . 1 . . . . 97 VAL N . 7268 1 1179 . 1 1 98 98 ILE H H 1 8.506 0.02 . 1 . . . . 98 ILE HN . 7268 1 1180 . 1 1 98 98 ILE HA H 1 4.616 0.02 . 1 . . . . 98 ILE HA . 7268 1 1181 . 1 1 98 98 ILE HB H 1 1.988 0.02 . 1 . . . . 98 ILE HB . 7268 1 1182 . 1 1 98 98 ILE HG12 H 1 1.345 0.02 . 9 . . . . 98 ILE HG11 . 7268 1 1183 . 1 1 98 98 ILE HG13 H 1 0.650 0.02 . 9 . . . . 98 ILE HG12 . 7268 1 1184 . 1 1 98 98 ILE HG21 H 1 0.833 0.02 . 4 . . . . 98 ILE HG2 . 7268 1 1185 . 1 1 98 98 ILE HG22 H 1 0.833 0.02 . 4 . . . . 98 ILE HG2 . 7268 1 1186 . 1 1 98 98 ILE HG23 H 1 0.833 0.02 . 4 . . . . 98 ILE HG2 . 7268 1 1187 . 1 1 98 98 ILE HD11 H 1 0.784 0.02 . 1 . . . . 98 ILE HD1 . 7268 1 1188 . 1 1 98 98 ILE HD12 H 1 0.784 0.02 . 1 . . . . 98 ILE HD1 . 7268 1 1189 . 1 1 98 98 ILE HD13 H 1 0.784 0.02 . 1 . . . . 98 ILE HD1 . 7268 1 1190 . 1 1 98 98 ILE C C 13 175.246 0.1 . 1 . . . . 98 ILE C . 7268 1 1191 . 1 1 98 98 ILE CA C 13 59.864 0.1 . 1 . . . . 98 ILE CA . 7268 1 1192 . 1 1 98 98 ILE CB C 13 40.708 0.1 . 1 . . . . 98 ILE CB . 7268 1 1193 . 1 1 98 98 ILE CG1 C 13 25.829 0.1 . 1 . . . . 98 ILE CG1 . 7268 1 1194 . 1 1 98 98 ILE CG2 C 13 18.619 0.1 . 1 . . . . 98 ILE CG2 . 7268 1 1195 . 1 1 98 98 ILE CD1 C 13 14.037 0.1 . 1 . . . . 98 ILE CD1 . 7268 1 1196 . 1 1 98 98 ILE N N 15 122.204 0.1 . 1 . . . . 98 ILE N . 7268 1 1197 . 1 1 99 99 ASP H H 1 8.268 0.02 . 1 . . . . 99 ASP HN . 7268 1 1198 . 1 1 99 99 ASP HA H 1 4.496 0.02 . 1 . . . . 99 ASP HA . 7268 1 1199 . 1 1 99 99 ASP HB2 H 1 2.652 0.02 . 1 . . . . 99 ASP HB1 . 7268 1 1200 . 1 1 99 99 ASP HB3 H 1 2.540 0.02 . 1 . . . . 99 ASP HB2 . 7268 1 1201 . 1 1 99 99 ASP C C 13 176.604 0.1 . 1 . . . . 99 ASP C . 7268 1 1202 . 1 1 99 99 ASP CA C 13 54.304 0.1 . 1 . . . . 99 ASP CA . 7268 1 1203 . 1 1 99 99 ASP CB C 13 41.960 0.1 . 1 . . . . 99 ASP CB . 7268 1 1204 . 1 1 99 99 ASP N N 15 119.833 0.1 . 1 . . . . 99 ASP N . 7268 1 1205 . 1 1 100 100 GLN H H 1 9.023 0.02 . 1 . . . . 100 GLN HN . 7268 1 1206 . 1 1 100 100 GLN HA H 1 4.288 0.02 . 1 . . . . 100 GLN HA . 7268 1 1207 . 1 1 100 100 GLN HB2 H 1 2.076 0.02 . 2 . . . . 100 GLN HB1 . 7268 1 1208 . 1 1 100 100 GLN HG2 H 1 2.395 0.02 . 2 . . . . 100 GLN HG1 . 7268 1 1209 . 1 1 100 100 GLN HG3 H 1 2.351 0.02 . 2 . . . . 100 GLN HG2 . 7268 1 1210 . 1 1 100 100 GLN HE21 H 1 7.730 0.02 . 2 . . . . 100 GLN HE21 . 7268 1 1211 . 1 1 100 100 GLN HE22 H 1 6.835 0.02 . 2 . . . . 100 GLN HE22 . 7268 1 1212 . 1 1 100 100 GLN C C 13 175.974 0.1 . 1 . . . . 100 GLN C . 7268 1 1213 . 1 1 100 100 GLN CA C 13 56.892 0.1 . 1 . . . . 100 GLN CA . 7268 1 1214 . 1 1 100 100 GLN CB C 13 29.603 0.1 . 1 . . . . 100 GLN CB . 7268 1 1215 . 1 1 100 100 GLN CG C 13 33.676 0.1 . 1 . . . . 100 GLN CG . 7268 1 1216 . 1 1 100 100 GLN N N 15 121.747 0.1 . 1 . . . . 100 GLN N . 7268 1 1217 . 1 1 100 100 GLN NE2 N 15 112.072 0.1 . 1 . . . . 100 GLN NE2 . 7268 1 1218 . 1 1 101 101 ASN H H 1 8.752 0.02 . 1 . . . . 101 ASN HN . 7268 1 1219 . 1 1 101 101 ASN HA H 1 4.714 0.02 . 1 . . . . 101 ASN HA . 7268 1 1220 . 1 1 101 101 ASN HB2 H 1 2.816 0.02 . 2 . . . . 101 ASN HB1 . 7268 1 1221 . 1 1 101 101 ASN HB3 H 1 2.733 0.02 . 2 . . . . 101 ASN HB2 . 7268 1 1222 . 1 1 101 101 ASN HD21 H 1 7.743 0.02 . 2 . . . . 101 ASN HD21 . 7268 1 1223 . 1 1 101 101 ASN HD22 H 1 6.915 0.02 . 2 . . . . 101 ASN HD22 . 7268 1 1224 . 1 1 101 101 ASN C C 13 174.955 0.1 . 1 . . . . 101 ASN C . 7268 1 1225 . 1 1 101 101 ASN CA C 13 53.488 0.1 . 1 . . . . 101 ASN CA . 7268 1 1226 . 1 1 101 101 ASN CB C 13 39.137 0.1 . 1 . . . . 101 ASN CB . 7268 1 1227 . 1 1 101 101 ASN N N 15 119.607 0.1 . 1 . . . . 101 ASN N . 7268 1 1228 . 1 1 101 101 ASN ND2 N 15 113.173 0.1 . 1 . . . . 101 ASN ND2 . 7268 1 1229 . 1 1 102 102 ASP H H 1 8.252 0.02 . 1 . . . . 102 ASP HN . 7268 1 1230 . 1 1 102 102 ASP HA H 1 4.639 0.02 . 1 . . . . 102 ASP HA . 7268 1 1231 . 1 1 102 102 ASP HB2 H 1 2.681 0.02 . 2 . . . . 102 ASP HB1 . 7268 1 1232 . 1 1 102 102 ASP HB3 H 1 2.547 0.02 . 2 . . . . 102 ASP HB2 . 7268 1 1233 . 1 1 102 102 ASP C C 13 175.836 0.1 . 1 . . . . 102 ASP C . 7268 1 1234 . 1 1 102 102 ASP CA C 13 54.446 0.1 . 1 . . . . 102 ASP CA . 7268 1 1235 . 1 1 102 102 ASP CB C 13 41.450 0.1 . 1 . . . . 102 ASP CB . 7268 1 1236 . 1 1 102 102 ASP N N 15 120.250 0.1 . 1 . . . . 102 ASP N . 7268 1 1237 . 1 1 103 103 ASN H H 1 8.315 0.02 . 1 . . . . 103 ASN HN . 7268 1 1238 . 1 1 103 103 ASN HA H 1 4.638 0.02 . 1 . . . . 103 ASN HA . 7268 1 1239 . 1 1 103 103 ASN HB2 H 1 2.766 0.02 . 2 . . . . 103 ASN HB1 . 7268 1 1240 . 1 1 103 103 ASN HB3 H 1 2.689 0.02 . 2 . . . . 103 ASN HB2 . 7268 1 1241 . 1 1 103 103 ASN HD21 H 1 7.574 0.02 . 2 . . . . 103 ASN HD21 . 7268 1 1242 . 1 1 103 103 ASN HD22 H 1 6.856 0.02 . 2 . . . . 103 ASN HD22 . 7268 1 1243 . 1 1 103 103 ASN C C 13 174.710 0.1 . 1 . . . . 103 ASN C . 7268 1 1244 . 1 1 103 103 ASN CA C 13 53.291 0.1 . 1 . . . . 103 ASN CA . 7268 1 1245 . 1 1 103 103 ASN CB C 13 38.884 0.1 . 1 . . . . 103 ASN CB . 7268 1 1246 . 1 1 103 103 ASN N N 15 118.782 0.1 . 1 . . . . 103 ASN N . 7268 1 1247 . 1 1 103 103 ASN ND2 N 15 112.481 0.1 . 1 . . . . 103 ASN ND2 . 7268 1 1248 . 1 1 104 104 ARG H H 1 8.088 0.02 . 1 . . . . 104 ARG HN . 7268 1 1249 . 1 1 104 104 ARG HA H 1 4.565 0.02 . 1 . . . . 104 ARG HA . 7268 1 1250 . 1 1 104 104 ARG HB2 H 1 1.830 0.02 . 1 . . . . 104 ARG HB1 . 7268 1 1251 . 1 1 104 104 ARG HB3 H 1 1.725 0.02 . 1 . . . . 104 ARG HB2 . 7268 1 1252 . 1 1 104 104 ARG HG2 H 1 1.631 0.02 . 2 . . . . 104 ARG HG1 . 7268 1 1253 . 1 1 104 104 ARG HD2 H 1 3.172 0.02 . 2 . . . . 104 ARG HD1 . 7268 1 1254 . 1 1 104 104 ARG CA C 13 54.066 0.1 . 1 . . . . 104 ARG CA . 7268 1 1255 . 1 1 104 104 ARG CB C 13 30.155 0.1 . 1 . . . . 104 ARG CB . 7268 1 1256 . 1 1 104 104 ARG CG C 13 26.782 0.1 . 1 . . . . 104 ARG CG . 7268 1 1257 . 1 1 104 104 ARG CD C 13 43.455 0.1 . 1 . . . . 104 ARG CD . 7268 1 1258 . 1 1 104 104 ARG N N 15 122.496 0.1 . 1 . . . . 104 ARG N . 7268 1 1259 . 1 1 105 105 PRO HA H 1 4.201 0.02 . 1 . . . . 105 PRO HA . 7268 1 1260 . 1 1 105 105 PRO HB2 H 1 2.178 0.02 . 2 . . . . 105 PRO HB1 . 7268 1 1261 . 1 1 105 105 PRO HB3 H 1 1.851 0.02 . 2 . . . . 105 PRO HB2 . 7268 1 1262 . 1 1 105 105 PRO HG2 H 1 1.936 0.02 . 2 . . . . 105 PRO HG1 . 7268 1 1263 . 1 1 105 105 PRO HD2 H 1 3.696 0.02 . 2 . . . . 105 PRO HD1 . 7268 1 1264 . 1 1 105 105 PRO HD3 H 1 3.578 0.02 . 2 . . . . 105 PRO HD2 . 7268 1 1265 . 1 1 105 105 PRO CA C 13 64.852 0.1 . 1 . . . . 105 PRO CA . 7268 1 1266 . 1 1 105 105 PRO CB C 13 32.135 0.1 . 1 . . . . 105 PRO CB . 7268 1 1267 . 1 1 105 105 PRO CG C 13 27.283 0.1 . 1 . . . . 105 PRO CG . 7268 1 1268 . 1 1 105 105 PRO CD C 13 50.358 0.1 . 1 . . . . 105 PRO CD . 7268 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 28 7268 1 1 29 7268 1 1 30 7268 1 1 31 7268 1 1 32 7268 1 1 33 7268 1 2 96 7268 1 2 97 7268 1 2 98 7268 1 2 99 7268 1 2 100 7268 1 2 101 7268 1 3 307 7268 1 3 308 7268 1 3 309 7268 1 3 310 7268 1 3 311 7268 1 3 312 7268 1 4 254 7268 1 4 255 7268 1 4 256 7268 1 4 257 7268 1 4 258 7268 1 4 259 7268 1 5 290 7268 1 5 291 7268 1 5 292 7268 1 5 293 7268 1 5 294 7268 1 5 295 7268 1 6 305 7268 1 6 306 7268 1 6 307 7268 1 6 308 7268 1 6 309 7268 1 6 310 7268 1 7 441 7268 1 7 442 7268 1 7 443 7268 1 7 444 7268 1 7 445 7268 1 7 446 7268 1 8 763 7268 1 8 764 7268 1 8 765 7268 1 8 766 7268 1 8 767 7268 1 8 768 7268 1 9 810 7268 1 9 811 7268 1 9 812 7268 1 9 813 7268 1 9 814 7268 1 9 815 7268 1 10 852 7268 1 10 853 7268 1 10 854 7268 1 10 855 7268 1 10 856 7268 1 10 857 7268 1 11 892 7268 1 11 893 7268 1 11 894 7268 1 11 895 7268 1 11 896 7268 1 11 897 7268 1 12 922 7268 1 12 923 7268 1 12 924 7268 1 12 925 7268 1 12 926 7268 1 12 927 7268 1 13 976 7268 1 13 977 7268 1 13 978 7268 1 13 979 7268 1 13 980 7268 1 13 981 7268 1 14 1037 7268 1 14 1038 7268 1 14 1039 7268 1 14 1040 7268 1 14 1041 7268 1 14 1042 7268 1 15 1108 7268 1 15 1109 7268 1 15 1110 7268 1 15 1111 7268 1 15 1112 7268 1 15 1113 7268 1 16 1151 7268 1 16 1152 7268 1 16 1153 7268 1 17 1184 7268 1 17 1185 7268 1 17 1186 7268 1 stop_ save_