data_5615 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5615 _Entry.Title ; 1H/13C/15N assignment of the C-terminal domain of the E. amylovora response regulator RcsB ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-12-04 _Entry.Accession_date 2002-12-04 _Entry.Last_release_date 2003-12-11 _Entry.Original_release_date 2003-12-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Primoz Pristovsek . . . 5615 2 Kaushik SenGupta . . . 5615 3 Frank Loehr . . . 5615 4 Soma SenGupta . . . 5615 5 Frank Bernhard . . . 5615 6 Heinz Rueterjans . . . 5615 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5615 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 632 5615 '13C chemical shifts' 375 5615 '15N chemical shifts' 92 5615 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-12-11 2002-12-04 original author . 5615 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5615 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12740396 _Citation.Full_citation . _Citation.Title ; Structural analysis of the DNA-binding domain of the Erwinia amylovora RcsB protein and its interaction with the RcsAB box ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 278 _Citation.Journal_issue 20 _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 17752 _Citation.Page_last 17759 _Citation.Year 2003 _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 Primoz Pristovsek . . . 5615 1 2 Kaushik SenGupta . . . 5615 1 3 Frank Loehr . . . 5615 1 4 B. Schafer . . . 5615 1 5 M. Trebra . W. . 5615 1 6 Heinz Rueterjans . . . 5615 1 7 Frank Bernhard . . . 5615 1 stop_ save_ save_ref-1 _Citation.Sf_category citations _Citation.Sf_framecode ref-1 _Citation.Entry_ID 5615 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11908496 _Citation.Full_citation ; Pristovsek P, Ruterjans H, Jerala R. Semiautomatic sequence-specific assignment of proteins based on the tertiary structure--the program st2nmr. J Comput Chem. 2002 Feb;23(3):335-40. ; _Citation.Title 'Semiautomatic sequence-specific assignment of proteins based on the tertiary structure--the program st2nmr.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full 'Journal of computational chemistry' _Citation.Journal_volume 23 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0192-8651 _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 335 _Citation.Page_last 340 _Citation.Year 2002 _Citation.Details ; The sequence-specific assignment of resonances is still the most time-consuming procedure that is necessary as the first step in high-resolution NMR studies of proteins. In many cases a reliable three-dimensional (3D) structure of the protein is available, for example, from X-ray spectroscopy or homology modeling. Here we introduce the st2nmr program that uses the 3D structure and Nuclear Overhauser Effect spectroscopy (NOESY) peak list(s) to evaluate and optimize trial sequence-specific assignments of spin systems derived from correlation spectra to residues of the protein. A distance-dependent target function that scores trial assignments based on the presence of expected NOESY crosspeaks is optimized in a Monte Carlo fashion. The performance of the program st2nmr is tested on real NMR data of an alpha-helical (cytochrome c) and beta-sheet (lipocalin) protein using homology models and/or X-ray structures; it succeeded in completely reproducing the correct sequence-specific assignments in most cases using 2D and/or 15N/13C Nuclear Overhauser Effect (NOE) data. Additionally to amino acid residues the program can also handle ligands that are bound to the protein, such as heme, and can be used as a complementary tool to fully automated assignment procedures. ; 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 Primoz Pristovsek P. . . 5615 2 2 Heinz Ruterjans H. . . 5615 2 3 Roman Jerala R. . . 5615 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_C-RcsB _Assembly.Sf_category assembly _Assembly.Sf_framecode system_C-RcsB _Assembly.Entry_ID 5615 _Assembly.ID 1 _Assembly.Name C-RcsB _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5615 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 'RcsB monomer' 1 $C-RcsB . . . native . . . . . 5615 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID C-RcsB system 5615 1 RcsB abbreviation 5615 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'response regulator' 5615 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C-RcsB _Entity.Sf_category entity _Entity.Sf_framecode C-RcsB _Entity.Entry_ID 5615 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'response regulator' _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 ; MRGSHHHHHHGSYTPESVAK LLEKISAGGYGDKRLSPKES EVLRLFAEGFLVTEIAKKLN RSIKTISSQKKSAMMKLGVD NDIALLNYLSSVSMTPVDK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 10989 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'contains His-tag' _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 1P4W . "Solution Structure Of The Dna-Binding Domain Of The Erwinia Amylovora Rcsb Protein" . . . . . 100.00 99 100.00 100.00 5.58e-64 . . . . 5615 1 2 no DBJ BAN97122 . "hypothetical protein E05_23560 [Plautia stali symbiont]" . . . . . 87.88 630 97.70 97.70 6.21e-45 . . . . 5615 1 3 no DBJ GAJ89526 . "colanic acid biosynthesis two-component response regulator RcsB [Erwinia amylovora NBRC 12687]" . . . . . 87.88 215 100.00 100.00 5.38e-52 . . . . 5615 1 4 no EMBL CAA70978 . "rcsB [Erwinia amylovora]" . . . . . 87.88 215 100.00 100.00 5.38e-52 . . . . 5615 1 5 no EMBL CAO96276 . "Regulator of capsule synthesis B component [Erwinia tasmaniensis Et1/99]" . . . . . 87.88 215 97.70 100.00 1.08e-50 . . . . 5615 1 6 no EMBL CAX55067 . "RcsB protein [Erwinia pyrifoliae Ep1/96]" . . . . . 87.88 215 97.70 98.85 6.91e-51 . . . . 5615 1 7 no EMBL CAY73751 . "activator of exoploysaccharide synthesis [Erwinia pyrifoliae DSM 12163]" . . . . . 87.88 215 97.70 98.85 6.91e-51 . . . . 5615 1 8 no EMBL CBA21538 . "activator of exoploysaccharide synthesis [Erwinia amylovora CFBP1430]" . . . . . 87.88 215 100.00 100.00 5.38e-52 . . . . 5615 1 9 no GB ADP13087 . "transcriptional regulator RcsB [Erwinia sp. Ejp617]" . . . . . 87.88 215 97.70 98.85 6.91e-51 . . . . 5615 1 10 no GB ADU69998 . "two component transcriptional regulator, LuxR family [Pantoea sp. At-9b]" . . . . . 87.88 216 97.70 97.70 1.50e-49 . . . . 5615 1 11 no GB AIX73097 . "transcriptional regulator [Pantoea sp. PSNIH2]" . . . . . 84.85 217 98.81 98.81 9.78e-49 . . . . 5615 1 12 no GB EKV53357 . "activator of exoploysaccharide synthesis [Erwinia amylovora ACW56400]" . . . . . 87.88 215 100.00 100.00 5.38e-52 . . . . 5615 1 13 no GB EOS96240 . "transcriptional regulator RcsB [Erwinia tracheiphila PSU-1]" . . . . . 87.88 216 97.70 97.70 5.54e-50 . . . . 5615 1 14 no REF WP_004158545 . "transcriptional regulator [Erwinia amylovora]" . . . . . 87.88 215 100.00 100.00 5.38e-52 . . . . 5615 1 15 no REF WP_004172989 . "activator of exoploysaccharide synthesis [Erwinia amylovora]" . . . . . 87.88 227 100.00 100.00 5.60e-52 . . . . 5615 1 16 no REF WP_012440971 . "MULTISPECIES: transcriptional regulator [Erwinia]" . . . . . 87.88 215 97.70 100.00 1.08e-50 . . . . 5615 1 17 no REF WP_012667617 . "MULTISPECIES: transcriptional regulator [Erwinia]" . . . . . 87.88 215 97.70 98.85 6.91e-51 . . . . 5615 1 18 no REF WP_013509853 . "MULTISPECIES: transcriptional regulator [Pantoea]" . . . . . 87.88 216 97.70 97.70 1.50e-49 . . . . 5615 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'response regulator' common 5615 1 RcsB abbreviation 5615 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5615 1 2 . ARG . 5615 1 3 . GLY . 5615 1 4 . SER . 5615 1 5 . HIS . 5615 1 6 . HIS . 5615 1 7 . HIS . 5615 1 8 . HIS . 5615 1 9 . HIS . 5615 1 10 . HIS . 5615 1 11 . GLY . 5615 1 12 . SER . 5615 1 13 . TYR . 5615 1 14 . THR . 5615 1 15 . PRO . 5615 1 16 . GLU . 5615 1 17 . SER . 5615 1 18 . VAL . 5615 1 19 . ALA . 5615 1 20 . LYS . 5615 1 21 . LEU . 5615 1 22 . LEU . 5615 1 23 . GLU . 5615 1 24 . LYS . 5615 1 25 . ILE . 5615 1 26 . SER . 5615 1 27 . ALA . 5615 1 28 . GLY . 5615 1 29 . GLY . 5615 1 30 . TYR . 5615 1 31 . GLY . 5615 1 32 . ASP . 5615 1 33 . LYS . 5615 1 34 . ARG . 5615 1 35 . LEU . 5615 1 36 . SER . 5615 1 37 . PRO . 5615 1 38 . LYS . 5615 1 39 . GLU . 5615 1 40 . SER . 5615 1 41 . GLU . 5615 1 42 . VAL . 5615 1 43 . LEU . 5615 1 44 . ARG . 5615 1 45 . LEU . 5615 1 46 . PHE . 5615 1 47 . ALA . 5615 1 48 . GLU . 5615 1 49 . GLY . 5615 1 50 . PHE . 5615 1 51 . LEU . 5615 1 52 . VAL . 5615 1 53 . THR . 5615 1 54 . GLU . 5615 1 55 . ILE . 5615 1 56 . ALA . 5615 1 57 . LYS . 5615 1 58 . LYS . 5615 1 59 . LEU . 5615 1 60 . ASN . 5615 1 61 . ARG . 5615 1 62 . SER . 5615 1 63 . ILE . 5615 1 64 . LYS . 5615 1 65 . THR . 5615 1 66 . ILE . 5615 1 67 . SER . 5615 1 68 . SER . 5615 1 69 . GLN . 5615 1 70 . LYS . 5615 1 71 . LYS . 5615 1 72 . SER . 5615 1 73 . ALA . 5615 1 74 . MET . 5615 1 75 . MET . 5615 1 76 . LYS . 5615 1 77 . LEU . 5615 1 78 . GLY . 5615 1 79 . VAL . 5615 1 80 . ASP . 5615 1 81 . ASN . 5615 1 82 . ASP . 5615 1 83 . ILE . 5615 1 84 . ALA . 5615 1 85 . LEU . 5615 1 86 . LEU . 5615 1 87 . ASN . 5615 1 88 . TYR . 5615 1 89 . LEU . 5615 1 90 . SER . 5615 1 91 . SER . 5615 1 92 . VAL . 5615 1 93 . SER . 5615 1 94 . MET . 5615 1 95 . THR . 5615 1 96 . PRO . 5615 1 97 . VAL . 5615 1 98 . ASP . 5615 1 99 . LYS . 5615 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5615 1 . ARG 2 2 5615 1 . GLY 3 3 5615 1 . SER 4 4 5615 1 . HIS 5 5 5615 1 . HIS 6 6 5615 1 . HIS 7 7 5615 1 . HIS 8 8 5615 1 . HIS 9 9 5615 1 . HIS 10 10 5615 1 . GLY 11 11 5615 1 . SER 12 12 5615 1 . TYR 13 13 5615 1 . THR 14 14 5615 1 . PRO 15 15 5615 1 . GLU 16 16 5615 1 . SER 17 17 5615 1 . VAL 18 18 5615 1 . ALA 19 19 5615 1 . LYS 20 20 5615 1 . LEU 21 21 5615 1 . LEU 22 22 5615 1 . GLU 23 23 5615 1 . LYS 24 24 5615 1 . ILE 25 25 5615 1 . SER 26 26 5615 1 . ALA 27 27 5615 1 . GLY 28 28 5615 1 . GLY 29 29 5615 1 . TYR 30 30 5615 1 . GLY 31 31 5615 1 . ASP 32 32 5615 1 . LYS 33 33 5615 1 . ARG 34 34 5615 1 . LEU 35 35 5615 1 . SER 36 36 5615 1 . PRO 37 37 5615 1 . LYS 38 38 5615 1 . GLU 39 39 5615 1 . SER 40 40 5615 1 . GLU 41 41 5615 1 . VAL 42 42 5615 1 . LEU 43 43 5615 1 . ARG 44 44 5615 1 . LEU 45 45 5615 1 . PHE 46 46 5615 1 . ALA 47 47 5615 1 . GLU 48 48 5615 1 . GLY 49 49 5615 1 . PHE 50 50 5615 1 . LEU 51 51 5615 1 . VAL 52 52 5615 1 . THR 53 53 5615 1 . GLU 54 54 5615 1 . ILE 55 55 5615 1 . ALA 56 56 5615 1 . LYS 57 57 5615 1 . LYS 58 58 5615 1 . LEU 59 59 5615 1 . ASN 60 60 5615 1 . ARG 61 61 5615 1 . SER 62 62 5615 1 . ILE 63 63 5615 1 . LYS 64 64 5615 1 . THR 65 65 5615 1 . ILE 66 66 5615 1 . SER 67 67 5615 1 . SER 68 68 5615 1 . GLN 69 69 5615 1 . LYS 70 70 5615 1 . LYS 71 71 5615 1 . SER 72 72 5615 1 . ALA 73 73 5615 1 . MET 74 74 5615 1 . MET 75 75 5615 1 . LYS 76 76 5615 1 . LEU 77 77 5615 1 . GLY 78 78 5615 1 . VAL 79 79 5615 1 . ASP 80 80 5615 1 . ASN 81 81 5615 1 . ASP 82 82 5615 1 . ILE 83 83 5615 1 . ALA 84 84 5615 1 . LEU 85 85 5615 1 . LEU 86 86 5615 1 . ASN 87 87 5615 1 . TYR 88 88 5615 1 . LEU 89 89 5615 1 . SER 90 90 5615 1 . SER 91 91 5615 1 . VAL 92 92 5615 1 . SER 93 93 5615 1 . MET 94 94 5615 1 . THR 95 95 5615 1 . PRO 96 96 5615 1 . VAL 97 97 5615 1 . ASP 98 98 5615 1 . LYS 99 99 5615 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 5615 _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 $C-RcsB . 552 . . 'Erwinia Amylovora' 'Erwinia amylovora' . . Eubacteria . Erwinia Amylovora . . . . . . . . . . . . . . . . . . . . . 5615 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 5615 _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 $C-RcsB . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5615 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5615 _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 'response regulator' '[U-99% 13C; U-99% 15N]' . . 1 $C-RcsB . . . 0.8 1.2 mM . . . . 5615 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5615 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.4 0.3 n/a 5615 1 temperature 289 0.1 K 5615 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5615 _Software.ID 1 _Software.Name FELIX _Software.Version 97.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5615 1 visualisation 5615 1 stop_ save_ save_st2nmr _Software.Sf_category software _Software.Sf_framecode st2nmr _Software.Entry_ID 5615 _Software.ID 2 _Software.Name st2nmr _Software.Version 1.05 _Software.Details 'In-house developed software for sequence-specific assignment.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'semi-automated sequence-specific assignment' 5615 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref-1 5615 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5615 _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_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5615 _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_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5615 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5615 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 600 . . . 5615 1 2 NMR_spectrometer_2 Bruker DRX . 800 . . . 5615 1 3 NMR_spectrometer_3 Bruker DMX . 500 . . . 5615 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5615 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5615 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5615 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5615 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5615 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5615 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . 5615 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 2 2 ARG HA H 1 4.38 0.01 . 1 . . . . . . . . 5615 1 2 . 1 1 2 2 ARG HB2 H 1 1.85 0.01 . 1 . . . . . . . . 5615 1 3 . 1 1 2 2 ARG HB3 H 1 1.85 0.01 . 1 . . . . . . . . 5615 1 4 . 1 1 2 2 ARG HG2 H 1 1.66 0.01 . 1 . . . . . . . . 5615 1 5 . 1 1 2 2 ARG HG3 H 1 1.66 0.01 . 1 . . . . . . . . 5615 1 6 . 1 1 2 2 ARG HD2 H 1 3.19 0.01 . 1 . . . . . . . . 5615 1 7 . 1 1 2 2 ARG HD3 H 1 3.19 0.01 . 1 . . . . . . . . 5615 1 8 . 1 1 2 2 ARG C C 13 176.6 0.1 . 1 . . . . . . . . 5615 1 9 . 1 1 2 2 ARG CA C 13 56.6 0.1 . 1 . . . . . . . . 5615 1 10 . 1 1 2 2 ARG CB C 13 30.7 0.1 . 1 . . . . . . . . 5615 1 11 . 1 1 2 2 ARG CG C 13 27.1 0.1 . 1 . . . . . . . . 5615 1 12 . 1 1 2 2 ARG CD C 13 43.5 0.1 . 1 . . . . . . . . 5615 1 13 . 1 1 3 3 GLY H H 1 8.78 0.01 . 1 . . . . . . . . 5615 1 14 . 1 1 3 3 GLY HA2 H 1 4.00 0.01 . 2 . . . . . . . . 5615 1 15 . 1 1 3 3 GLY HA3 H 1 4.03 0.01 . 2 . . . . . . . . 5615 1 16 . 1 1 3 3 GLY C C 13 174.1 0.1 . 1 . . . . . . . . 5615 1 17 . 1 1 3 3 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 5615 1 18 . 1 1 3 3 GLY N N 15 111.4 0.1 . 1 . . . . . . . . 5615 1 19 . 1 1 4 4 SER H H 1 8.32 0.01 . 1 . . . . . . . . 5615 1 20 . 1 1 4 4 SER HA H 1 4.43 0.01 . 1 . . . . . . . . 5615 1 21 . 1 1 4 4 SER HB2 H 1 3.80 0.01 . 1 . . . . . . . . 5615 1 22 . 1 1 4 4 SER HB3 H 1 3.80 0.01 . 1 . . . . . . . . 5615 1 23 . 1 1 4 4 SER C C 13 174.5 0.1 . 1 . . . . . . . . 5615 1 24 . 1 1 4 4 SER CA C 13 58.5 0.1 . 1 . . . . . . . . 5615 1 25 . 1 1 4 4 SER CB C 13 63.9 0.1 . 1 . . . . . . . . 5615 1 26 . 1 1 4 4 SER N N 15 115.6 0.1 . 1 . . . . . . . . 5615 1 27 . 1 1 5 5 HIS H H 1 8.71 0.01 . 1 . . . . . . . . 5615 1 28 . 1 1 5 5 HIS HA H 1 4.60 0.01 . 1 . . . . . . . . 5615 1 29 . 1 1 5 5 HIS HB2 H 1 3.09 0.01 . 2 . . . . . . . . 5615 1 30 . 1 1 5 5 HIS HB3 H 1 3.00 0.01 . 2 . . . . . . . . 5615 1 31 . 1 1 5 5 HIS HD2 H 1 7.01 0.01 . 1 . . . . . . . . 5615 1 32 . 1 1 5 5 HIS HE1 H 1 8.10 0.01 . 1 . . . . . . . . 5615 1 33 . 1 1 5 5 HIS C C 13 174.6 0.1 . 1 . . . . . . . . 5615 1 34 . 1 1 5 5 HIS CA C 13 56.9 0.1 . 1 . . . . . . . . 5615 1 35 . 1 1 5 5 HIS CB C 13 30.0 0.1 . 1 . . . . . . . . 5615 1 36 . 1 1 5 5 HIS N N 15 120.9 0.1 . 1 . . . . . . . . 5615 1 37 . 1 1 10 10 HIS HA H 1 4.66 0.01 . 1 . . . . . . . . 5615 1 38 . 1 1 10 10 HIS HB2 H 1 3.23 0.01 . 2 . . . . . . . . 5615 1 39 . 1 1 10 10 HIS HB3 H 1 3.12 0.01 . 2 . . . . . . . . 5615 1 40 . 1 1 10 10 HIS C C 13 175.2 0.1 . 1 . . . . . . . . 5615 1 41 . 1 1 10 10 HIS CA C 13 56.0 0.1 . 1 . . . . . . . . 5615 1 42 . 1 1 10 10 HIS CB C 13 30.0 0.1 . 1 . . . . . . . . 5615 1 43 . 1 1 11 11 GLY H H 1 8.58 0.01 . 1 . . . . . . . . 5615 1 44 . 1 1 11 11 GLY HA2 H 1 4.00 0.01 . 1 . . . . . . . . 5615 1 45 . 1 1 11 11 GLY HA3 H 1 3.96 0.01 . 1 . . . . . . . . 5615 1 46 . 1 1 11 11 GLY C C 13 173.9 0.1 . 1 . . . . . . . . 5615 1 47 . 1 1 11 11 GLY CA C 13 45.3 0.1 . 1 . . . . . . . . 5615 1 48 . 1 1 11 11 GLY N N 15 110.6 0.1 . 1 . . . . . . . . 5615 1 49 . 1 1 12 12 SER H H 1 8.35 0.01 . 1 . . . . . . . . 5615 1 50 . 1 1 12 12 SER HA H 1 4.47 0.01 . 1 . . . . . . . . 5615 1 51 . 1 1 12 12 SER HB2 H 1 3.78 0.01 . 1 . . . . . . . . 5615 1 52 . 1 1 12 12 SER HB3 H 1 3.78 0.01 . 1 . . . . . . . . 5615 1 53 . 1 1 12 12 SER C C 13 174.0 0.1 . 1 . . . . . . . . 5615 1 54 . 1 1 12 12 SER CA C 13 58.4 0.1 . 1 . . . . . . . . 5615 1 55 . 1 1 12 12 SER CB C 13 63.9 0.1 . 1 . . . . . . . . 5615 1 56 . 1 1 12 12 SER N N 15 115.9 0.1 . 1 . . . . . . . . 5615 1 57 . 1 1 13 13 TYR H H 1 8.27 0.01 . 1 . . . . . . . . 5615 1 58 . 1 1 13 13 TYR HA H 1 4.69 0.01 . 1 . . . . . . . . 5615 1 59 . 1 1 13 13 TYR HB2 H 1 2.97 0.01 . 2 . . . . . . . . 5615 1 60 . 1 1 13 13 TYR HB3 H 1 2.88 0.01 . 2 . . . . . . . . 5615 1 61 . 1 1 13 13 TYR HD1 H 1 6.99 0.01 . 1 . . . . . . . . 5615 1 62 . 1 1 13 13 TYR HD2 H 1 6.99 0.01 . 1 . . . . . . . . 5615 1 63 . 1 1 13 13 TYR HE1 H 1 6.70 0.01 . 1 . . . . . . . . 5615 1 64 . 1 1 13 13 TYR HE2 H 1 6.70 0.01 . 1 . . . . . . . . 5615 1 65 . 1 1 13 13 TYR C C 13 175.4 0.1 . 1 . . . . . . . . 5615 1 66 . 1 1 13 13 TYR CA C 13 57.7 0.1 . 1 . . . . . . . . 5615 1 67 . 1 1 13 13 TYR CB C 13 39.2 0.1 . 1 . . . . . . . . 5615 1 68 . 1 1 13 13 TYR N N 15 122.2 0.1 . 1 . . . . . . . . 5615 1 69 . 1 1 15 15 PRO HA H 1 4.33 0.01 . 1 . . . . . . . . 5615 1 70 . 1 1 15 15 PRO HB2 H 1 2.40 0.01 . 2 . . . . . . . . 5615 1 71 . 1 1 15 15 PRO HB3 H 1 1.95 0.01 . 2 . . . . . . . . 5615 1 72 . 1 1 15 15 PRO HG2 H 1 2.13 0.01 . 2 . . . . . . . . 5615 1 73 . 1 1 15 15 PRO HG3 H 1 2.04 0.01 . 2 . . . . . . . . 5615 1 74 . 1 1 15 15 PRO HD2 H 1 3.76 0.01 . 1 . . . . . . . . 5615 1 75 . 1 1 15 15 PRO HD3 H 1 3.76 0.01 . 1 . . . . . . . . 5615 1 76 . 1 1 15 15 PRO C C 13 178.3 0.1 . 1 . . . . . . . . 5615 1 77 . 1 1 15 15 PRO CA C 13 64.4 0.1 . 1 . . . . . . . . 5615 1 78 . 1 1 15 15 PRO CB C 13 32.1 0.1 . 1 . . . . . . . . 5615 1 79 . 1 1 15 15 PRO CG C 13 27.9 0.1 . 1 . . . . . . . . 5615 1 80 . 1 1 15 15 PRO CD C 13 50.9 0.1 . 1 . . . . . . . . 5615 1 81 . 1 1 16 16 GLU H H 1 8.78 0.01 . 1 . . . . . . . . 5615 1 82 . 1 1 16 16 GLU HA H 1 4.17 0.01 . 1 . . . . . . . . 5615 1 83 . 1 1 16 16 GLU HB2 H 1 2.04 0.01 . 1 . . . . . . . . 5615 1 84 . 1 1 16 16 GLU HB3 H 1 2.04 0.01 . 1 . . . . . . . . 5615 1 85 . 1 1 16 16 GLU HG2 H 1 2.35 0.01 . 1 . . . . . . . . 5615 1 86 . 1 1 16 16 GLU HG3 H 1 2.35 0.01 . 1 . . . . . . . . 5615 1 87 . 1 1 16 16 GLU C C 13 177.9 0.1 . 1 . . . . . . . . 5615 1 88 . 1 1 16 16 GLU CA C 13 58.8 0.1 . 1 . . . . . . . . 5615 1 89 . 1 1 16 16 GLU CB C 13 29.5 0.1 . 1 . . . . . . . . 5615 1 90 . 1 1 16 16 GLU CG C 13 36.7 0.1 . 1 . . . . . . . . 5615 1 91 . 1 1 16 16 GLU N N 15 119.4 0.1 . 1 . . . . . . . . 5615 1 92 . 1 1 17 17 SER H H 1 8.29 0.01 . 1 . . . . . . . . 5615 1 93 . 1 1 17 17 SER HA H 1 4.31 0.01 . 1 . . . . . . . . 5615 1 94 . 1 1 17 17 SER C C 13 176.6 0.1 . 1 . . . . . . . . 5615 1 95 . 1 1 17 17 SER CA C 13 60.3 0.1 . 1 . . . . . . . . 5615 1 96 . 1 1 17 17 SER CB C 13 63.1 0.1 . 1 . . . . . . . . 5615 1 97 . 1 1 17 17 SER N N 15 116.8 0.1 . 1 . . . . . . . . 5615 1 98 . 1 1 18 18 VAL H H 1 8.12 0.01 . 1 . . . . . . . . 5615 1 99 . 1 1 18 18 VAL HA H 1 3.80 0.01 . 1 . . . . . . . . 5615 1 100 . 1 1 18 18 VAL HB H 1 2.13 0.01 . 1 . . . . . . . . 5615 1 101 . 1 1 18 18 VAL HG11 H 1 0.95 0.01 . 1 . . . . . . . . 5615 1 102 . 1 1 18 18 VAL HG12 H 1 0.95 0.01 . 1 . . . . . . . . 5615 1 103 . 1 1 18 18 VAL HG13 H 1 0.95 0.01 . 1 . . . . . . . . 5615 1 104 . 1 1 18 18 VAL HG21 H 1 0.98 0.01 . 1 . . . . . . . . 5615 1 105 . 1 1 18 18 VAL HG22 H 1 0.98 0.01 . 1 . . . . . . . . 5615 1 106 . 1 1 18 18 VAL HG23 H 1 0.98 0.01 . 1 . . . . . . . . 5615 1 107 . 1 1 18 18 VAL C C 13 176.9 0.1 . 1 . . . . . . . . 5615 1 108 . 1 1 18 18 VAL CA C 13 65.4 0.1 . 1 . . . . . . . . 5615 1 109 . 1 1 18 18 VAL CB C 13 31.8 0.1 . 1 . . . . . . . . 5615 1 110 . 1 1 18 18 VAL CG1 C 13 21.5 0.1 . 1 . . . . . . . . 5615 1 111 . 1 1 18 18 VAL CG2 C 13 22.7 0.1 . 1 . . . . . . . . 5615 1 112 . 1 1 18 18 VAL N N 15 123.6 0.1 . 1 . . . . . . . . 5615 1 113 . 1 1 19 19 ALA H H 1 8.17 0.01 . 1 . . . . . . . . 5615 1 114 . 1 1 19 19 ALA HA H 1 4.08 0.01 . 1 . . . . . . . . 5615 1 115 . 1 1 19 19 ALA HB1 H 1 1.47 0.01 . 1 . . . . . . . . 5615 1 116 . 1 1 19 19 ALA HB2 H 1 1.47 0.01 . 1 . . . . . . . . 5615 1 117 . 1 1 19 19 ALA HB3 H 1 1.47 0.01 . 1 . . . . . . . . 5615 1 118 . 1 1 19 19 ALA C C 13 180.2 0.1 . 1 . . . . . . . . 5615 1 119 . 1 1 19 19 ALA CA C 13 55.0 0.1 . 1 . . . . . . . . 5615 1 120 . 1 1 19 19 ALA CB C 13 18.2 0.1 . 1 . . . . . . . . 5615 1 121 . 1 1 19 19 ALA N N 15 123.2 0.1 . 1 . . . . . . . . 5615 1 122 . 1 1 20 20 LYS H H 1 7.94 0.01 . 1 . . . . . . . . 5615 1 123 . 1 1 20 20 LYS HA H 1 4.14 0.01 . 1 . . . . . . . . 5615 1 124 . 1 1 20 20 LYS HB2 H 1 1.90 0.01 . 2 . . . . . . . . 5615 1 125 . 1 1 20 20 LYS HB3 H 1 1.71 0.01 . 2 . . . . . . . . 5615 1 126 . 1 1 20 20 LYS HG2 H 1 1.59 0.01 . 1 . . . . . . . . 5615 1 127 . 1 1 20 20 LYS HG3 H 1 1.59 0.01 . 1 . . . . . . . . 5615 1 128 . 1 1 20 20 LYS HD2 H 1 1.51 0.01 . 1 . . . . . . . . 5615 1 129 . 1 1 20 20 LYS HD3 H 1 1.51 0.01 . 1 . . . . . . . . 5615 1 130 . 1 1 20 20 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 5615 1 131 . 1 1 20 20 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 5615 1 132 . 1 1 20 20 LYS C C 13 178.7 0.1 . 1 . . . . . . . . 5615 1 133 . 1 1 20 20 LYS CA C 13 58.3 0.1 . 1 . . . . . . . . 5615 1 134 . 1 1 20 20 LYS CB C 13 32.2 0.1 . 1 . . . . . . . . 5615 1 135 . 1 1 20 20 LYS CG C 13 25.0 0.1 . 1 . . . . . . . . 5615 1 136 . 1 1 20 20 LYS CD C 13 28.8 0.1 . 1 . . . . . . . . 5615 1 137 . 1 1 20 20 LYS CE C 13 42.1 0.1 . 1 . . . . . . . . 5615 1 138 . 1 1 20 20 LYS N N 15 117.9 0.1 . 1 . . . . . . . . 5615 1 139 . 1 1 21 21 LEU H H 1 7.92 0.01 . 1 . . . . . . . . 5615 1 140 . 1 1 21 21 LEU HA H 1 4.21 0.01 . 1 . . . . . . . . 5615 1 141 . 1 1 21 21 LEU HB2 H 1 1.78 0.01 . 2 . . . . . . . . 5615 1 142 . 1 1 21 21 LEU HB3 H 1 1.66 0.01 . 2 . . . . . . . . 5615 1 143 . 1 1 21 21 LEU HG H 1 1.42 0.01 . 1 . . . . . . . . 5615 1 144 . 1 1 21 21 LEU HD11 H 1 0.92 0.01 . 1 . . . . . . . . 5615 1 145 . 1 1 21 21 LEU HD12 H 1 0.92 0.01 . 1 . . . . . . . . 5615 1 146 . 1 1 21 21 LEU HD13 H 1 0.92 0.01 . 1 . . . . . . . . 5615 1 147 . 1 1 21 21 LEU HD21 H 1 0.92 0.01 . 1 . . . . . . . . 5615 1 148 . 1 1 21 21 LEU HD22 H 1 0.92 0.01 . 1 . . . . . . . . 5615 1 149 . 1 1 21 21 LEU HD23 H 1 0.92 0.01 . 1 . . . . . . . . 5615 1 150 . 1 1 21 21 LEU C C 13 178.6 0.1 . 1 . . . . . . . . 5615 1 151 . 1 1 21 21 LEU CA C 13 57.6 0.1 . 1 . . . . . . . . 5615 1 152 . 1 1 21 21 LEU CB C 13 41.8 0.1 . 1 . . . . . . . . 5615 1 153 . 1 1 21 21 LEU CG C 13 27.0 0.1 . 1 . . . . . . . . 5615 1 154 . 1 1 21 21 LEU CD1 C 13 24.5 0.1 . 1 . . . . . . . . 5615 1 155 . 1 1 21 21 LEU CD2 C 13 24.5 0.1 . 1 . . . . . . . . 5615 1 156 . 1 1 21 21 LEU N N 15 122.3 0.1 . 1 . . . . . . . . 5615 1 157 . 1 1 22 22 LEU H H 1 8.35 0.01 . 1 . . . . . . . . 5615 1 158 . 1 1 22 22 LEU HA H 1 4.09 0.01 . 1 . . . . . . . . 5615 1 159 . 1 1 22 22 LEU HB2 H 1 1.83 0.01 . 1 . . . . . . . . 5615 1 160 . 1 1 22 22 LEU HB3 H 1 1.56 0.01 . 1 . . . . . . . . 5615 1 161 . 1 1 22 22 LEU HG H 1 1.56 0.01 . 1 . . . . . . . . 5615 1 162 . 1 1 22 22 LEU HD11 H 1 0.87 0.01 . 1 . . . . . . . . 5615 1 163 . 1 1 22 22 LEU HD12 H 1 0.87 0.01 . 1 . . . . . . . . 5615 1 164 . 1 1 22 22 LEU HD13 H 1 0.87 0.01 . 1 . . . . . . . . 5615 1 165 . 1 1 22 22 LEU HD21 H 1 0.90 0.01 . 1 . . . . . . . . 5615 1 166 . 1 1 22 22 LEU HD22 H 1 0.90 0.01 . 1 . . . . . . . . 5615 1 167 . 1 1 22 22 LEU HD23 H 1 0.90 0.01 . 1 . . . . . . . . 5615 1 168 . 1 1 22 22 LEU C C 13 179.3 0.1 . 1 . . . . . . . . 5615 1 169 . 1 1 22 22 LEU CA C 13 57.1 0.1 . 1 . . . . . . . . 5615 1 170 . 1 1 22 22 LEU CB C 13 41.2 0.1 . 1 . . . . . . . . 5615 1 171 . 1 1 22 22 LEU CG C 13 27.2 0.1 . 1 . . . . . . . . 5615 1 172 . 1 1 22 22 LEU CD1 C 13 24.9 0.1 . 1 . . . . . . . . 5615 1 173 . 1 1 22 22 LEU CD2 C 13 23.0 0.1 . 1 . . . . . . . . 5615 1 174 . 1 1 22 22 LEU N N 15 119.2 0.1 . 1 . . . . . . . . 5615 1 175 . 1 1 23 23 GLU H H 1 8.02 0.01 . 1 . . . . . . . . 5615 1 176 . 1 1 23 23 GLU HA H 1 4.11 0.01 . 1 . . . . . . . . 5615 1 177 . 1 1 23 23 GLU HB2 H 1 2.26 0.01 . 1 . . . . . . . . 5615 1 178 . 1 1 23 23 GLU HB3 H 1 2.14 0.01 . 1 . . . . . . . . 5615 1 179 . 1 1 23 23 GLU HG2 H 1 2.42 0.01 . 1 . . . . . . . . 5615 1 180 . 1 1 23 23 GLU HG3 H 1 2.42 0.01 . 1 . . . . . . . . 5615 1 181 . 1 1 23 23 GLU C C 13 178.2 0.1 . 1 . . . . . . . . 5615 1 182 . 1 1 23 23 GLU CA C 13 58.8 0.1 . 1 . . . . . . . . 5615 1 183 . 1 1 23 23 GLU CB C 13 29.9 0.1 . 1 . . . . . . . . 5615 1 184 . 1 1 23 23 GLU CG C 13 36.3 0.1 . 1 . . . . . . . . 5615 1 185 . 1 1 23 23 GLU N N 15 120.5 0.1 . 1 . . . . . . . . 5615 1 186 . 1 1 24 24 LYS H H 1 7.93 0.01 . 1 . . . . . . . . 5615 1 187 . 1 1 24 24 LYS HA H 1 4.20 0.01 . 1 . . . . . . . . 5615 1 188 . 1 1 24 24 LYS C C 13 178.8 0.1 . 1 . . . . . . . . 5615 1 189 . 1 1 24 24 LYS CA C 13 58.6 0.1 . 1 . . . . . . . . 5615 1 190 . 1 1 24 24 LYS CB C 13 32.6 0.1 . 1 . . . . . . . . 5615 1 191 . 1 1 24 24 LYS N N 15 120.5 0.1 . 1 . . . . . . . . 5615 1 192 . 1 1 25 25 ILE HA H 1 4.00 0.01 . 1 . . . . . . . . 5615 1 193 . 1 1 25 25 ILE HB H 1 1.97 0.01 . 1 . . . . . . . . 5615 1 194 . 1 1 25 25 ILE HG12 H 1 1.66 0.01 . 2 . . . . . . . . 5615 1 195 . 1 1 25 25 ILE HG13 H 1 1.55 0.01 . 2 . . . . . . . . 5615 1 196 . 1 1 25 25 ILE HG21 H 1 0.94 0.01 . 1 . . . . . . . . 5615 1 197 . 1 1 25 25 ILE HG22 H 1 0.94 0.01 . 1 . . . . . . . . 5615 1 198 . 1 1 25 25 ILE HG23 H 1 0.94 0.01 . 1 . . . . . . . . 5615 1 199 . 1 1 25 25 ILE HD11 H 1 0.85 0.01 . 1 . . . . . . . . 5615 1 200 . 1 1 25 25 ILE HD12 H 1 0.85 0.01 . 1 . . . . . . . . 5615 1 201 . 1 1 25 25 ILE HD13 H 1 0.85 0.01 . 1 . . . . . . . . 5615 1 202 . 1 1 25 25 ILE C C 13 177.7 0.1 . 1 . . . . . . . . 5615 1 203 . 1 1 25 25 ILE CA C 13 63.2 0.1 . 1 . . . . . . . . 5615 1 204 . 1 1 25 25 ILE CB C 13 38.3 0.1 . 1 . . . . . . . . 5615 1 205 . 1 1 25 25 ILE CG1 C 13 27.9 0.1 . 1 . . . . . . . . 5615 1 206 . 1 1 25 25 ILE CG2 C 13 17.5 0.1 . 1 . . . . . . . . 5615 1 207 . 1 1 25 25 ILE CD1 C 13 14.0 0.1 . 1 . . . . . . . . 5615 1 208 . 1 1 26 26 SER H H 1 8.19 0.01 . 1 . . . . . . . . 5615 1 209 . 1 1 26 26 SER HA H 1 4.42 0.01 . 1 . . . . . . . . 5615 1 210 . 1 1 26 26 SER HB2 H 1 3.95 0.01 . 1 . . . . . . . . 5615 1 211 . 1 1 26 26 SER HB3 H 1 3.95 0.01 . 1 . . . . . . . . 5615 1 212 . 1 1 26 26 SER C C 13 174.9 0.1 . 1 . . . . . . . . 5615 1 213 . 1 1 26 26 SER CA C 13 59.9 0.1 . 1 . . . . . . . . 5615 1 214 . 1 1 26 26 SER CB C 13 63.7 0.1 . 1 . . . . . . . . 5615 1 215 . 1 1 26 26 SER N N 15 117.1 0.1 . 1 . . . . . . . . 5615 1 216 . 1 1 27 27 ALA H H 1 7.99 0.01 . 1 . . . . . . . . 5615 1 217 . 1 1 27 27 ALA HA H 1 4.37 0.01 . 1 . . . . . . . . 5615 1 218 . 1 1 27 27 ALA HB1 H 1 1.51 0.01 . 1 . . . . . . . . 5615 1 219 . 1 1 27 27 ALA HB2 H 1 1.51 0.01 . 1 . . . . . . . . 5615 1 220 . 1 1 27 27 ALA HB3 H 1 1.51 0.01 . 1 . . . . . . . . 5615 1 221 . 1 1 27 27 ALA C C 13 178.4 0.1 . 1 . . . . . . . . 5615 1 222 . 1 1 27 27 ALA CA C 13 53.0 0.1 . 1 . . . . . . . . 5615 1 223 . 1 1 27 27 ALA CB C 13 19.1 0.1 . 1 . . . . . . . . 5615 1 224 . 1 1 27 27 ALA N N 15 124.3 0.1 . 1 . . . . . . . . 5615 1 225 . 1 1 28 28 GLY H H 1 8.17 0.01 . 1 . . . . . . . . 5615 1 226 . 1 1 28 28 GLY HA2 H 1 4.00 0.01 . 1 . . . . . . . . 5615 1 227 . 1 1 28 28 GLY HA3 H 1 4.04 0.01 . 1 . . . . . . . . 5615 1 228 . 1 1 28 28 GLY C C 13 174.8 0.1 . 1 . . . . . . . . 5615 1 229 . 1 1 28 28 GLY CA C 13 45.7 0.1 . 1 . . . . . . . . 5615 1 230 . 1 1 28 28 GLY N N 15 106.4 0.1 . 1 . . . . . . . . 5615 1 231 . 1 1 29 29 GLY H H 1 8.19 0.01 . 1 . . . . . . . . 5615 1 232 . 1 1 29 29 GLY HA2 H 1 3.94 0.01 . 2 . . . . . . . . 5615 1 233 . 1 1 29 29 GLY HA3 H 1 3.95 0.01 . 2 . . . . . . . . 5615 1 234 . 1 1 29 29 GLY C C 13 173.7 0.1 . 1 . . . . . . . . 5615 1 235 . 1 1 29 29 GLY CA C 13 45.3 0.1 . 1 . . . . . . . . 5615 1 236 . 1 1 29 29 GLY N N 15 108.2 0.1 . 1 . . . . . . . . 5615 1 237 . 1 1 30 30 TYR H H 1 8.19 0.01 . 1 . . . . . . . . 5615 1 238 . 1 1 30 30 TYR HA H 1 4.58 0.01 . 1 . . . . . . . . 5615 1 239 . 1 1 30 30 TYR HB2 H 1 3.06 0.01 . 1 . . . . . . . . 5615 1 240 . 1 1 30 30 TYR HB3 H 1 2.99 0.01 . 1 . . . . . . . . 5615 1 241 . 1 1 30 30 TYR HD1 H 1 7.10 0.01 . 1 . . . . . . . . 5615 1 242 . 1 1 30 30 TYR HD2 H 1 7.10 0.01 . 1 . . . . . . . . 5615 1 243 . 1 1 30 30 TYR HE1 H 1 6.82 0.01 . 1 . . . . . . . . 5615 1 244 . 1 1 30 30 TYR HE2 H 1 6.82 0.01 . 1 . . . . . . . . 5615 1 245 . 1 1 30 30 TYR C C 13 176.3 0.1 . 1 . . . . . . . . 5615 1 246 . 1 1 30 30 TYR CA C 13 57.9 0.1 . 1 . . . . . . . . 5615 1 247 . 1 1 30 30 TYR CB C 13 39.2 0.1 . 1 . . . . . . . . 5615 1 248 . 1 1 30 30 TYR N N 15 119.3 0.1 . 1 . . . . . . . . 5615 1 249 . 1 1 31 31 GLY H H 1 8.43 0.01 . 1 . . . . . . . . 5615 1 250 . 1 1 31 31 GLY HA2 H 1 3.95 0.01 . 2 . . . . . . . . 5615 1 251 . 1 1 31 31 GLY HA3 H 1 3.84 0.01 . 2 . . . . . . . . 5615 1 252 . 1 1 31 31 GLY C C 13 174.4 0.1 . 1 . . . . . . . . 5615 1 253 . 1 1 31 31 GLY CA C 13 45.7 0.1 . 1 . . . . . . . . 5615 1 254 . 1 1 31 31 GLY N N 15 110.9 0.1 . 1 . . . . . . . . 5615 1 255 . 1 1 32 32 ASP H H 1 8.41 0.01 . 1 . . . . . . . . 5615 1 256 . 1 1 32 32 ASP HA H 1 4.49 0.01 . 1 . . . . . . . . 5615 1 257 . 1 1 32 32 ASP HB2 H 1 2.75 0.01 . 1 . . . . . . . . 5615 1 258 . 1 1 32 32 ASP HB3 H 1 2.75 0.01 . 1 . . . . . . . . 5615 1 259 . 1 1 32 32 ASP C C 13 176.7 0.1 . 1 . . . . . . . . 5615 1 260 . 1 1 32 32 ASP CA C 13 55.0 0.1 . 1 . . . . . . . . 5615 1 261 . 1 1 32 32 ASP CB C 13 41.1 0.1 . 1 . . . . . . . . 5615 1 262 . 1 1 32 32 ASP N N 15 121.6 0.1 . 1 . . . . . . . . 5615 1 263 . 1 1 33 33 LYS H H 1 8.31 0.01 . 1 . . . . . . . . 5615 1 264 . 1 1 33 33 LYS HA H 1 4.33 0.01 . 1 . . . . . . . . 5615 1 265 . 1 1 33 33 LYS HB2 H 1 1.98 0.01 . 2 . . . . . . . . 5615 1 266 . 1 1 33 33 LYS HB3 H 1 1.83 0.01 . 2 . . . . . . . . 5615 1 267 . 1 1 33 33 LYS HG2 H 1 1.53 0.01 . 1 . . . . . . . . 5615 1 268 . 1 1 33 33 LYS HG3 H 1 1.53 0.01 . 1 . . . . . . . . 5615 1 269 . 1 1 33 33 LYS HD2 H 1 1.74 0.01 . 1 . . . . . . . . 5615 1 270 . 1 1 33 33 LYS HD3 H 1 1.74 0.01 . 1 . . . . . . . . 5615 1 271 . 1 1 33 33 LYS HE2 H 1 3.05 0.01 . 1 . . . . . . . . 5615 1 272 . 1 1 33 33 LYS HE3 H 1 3.05 0.01 . 1 . . . . . . . . 5615 1 273 . 1 1 33 33 LYS C C 13 176.0 0.1 . 1 . . . . . . . . 5615 1 274 . 1 1 33 33 LYS CA C 13 56.1 0.1 . 1 . . . . . . . . 5615 1 275 . 1 1 33 33 LYS CB C 13 32.5 0.1 . 1 . . . . . . . . 5615 1 276 . 1 1 33 33 LYS CG C 13 24.9 0.1 . 1 . . . . . . . . 5615 1 277 . 1 1 33 33 LYS CD C 13 28.9 0.1 . 1 . . . . . . . . 5615 1 278 . 1 1 33 33 LYS CE C 13 42.4 0.1 . 1 . . . . . . . . 5615 1 279 . 1 1 33 33 LYS N N 15 120.8 0.1 . 1 . . . . . . . . 5615 1 280 . 1 1 34 34 ARG H H 1 8.07 0.01 . 1 . . . . . . . . 5615 1 281 . 1 1 34 34 ARG HA H 1 4.26 0.01 . 1 . . . . . . . . 5615 1 282 . 1 1 34 34 ARG HB2 H 1 1.77 0.01 . 2 . . . . . . . . 5615 1 283 . 1 1 34 34 ARG HB3 H 1 1.64 0.01 . 2 . . . . . . . . 5615 1 284 . 1 1 34 34 ARG HG2 H 1 1.64 0.01 . 1 . . . . . . . . 5615 1 285 . 1 1 34 34 ARG HG3 H 1 1.64 0.01 . 1 . . . . . . . . 5615 1 286 . 1 1 34 34 ARG HD2 H 1 3.19 0.01 . 2 . . . . . . . . 5615 1 287 . 1 1 34 34 ARG HD3 H 1 3.13 0.01 . 2 . . . . . . . . 5615 1 288 . 1 1 34 34 ARG HE H 1 7.41 0.01 . 1 . . . . . . . . 5615 1 289 . 1 1 34 34 ARG C C 13 177.1 0.1 . 1 . . . . . . . . 5615 1 290 . 1 1 34 34 ARG CA C 13 56.4 0.1 . 1 . . . . . . . . 5615 1 291 . 1 1 34 34 ARG CB C 13 30.8 0.1 . 1 . . . . . . . . 5615 1 292 . 1 1 34 34 ARG N N 15 119.2 0.1 . 1 . . . . . . . . 5615 1 293 . 1 1 34 34 ARG NE N 15 105.9 0.1 . 1 . . . . . . . . 5615 1 294 . 1 1 35 35 LEU H H 1 8.45 0.01 . 1 . . . . . . . . 5615 1 295 . 1 1 35 35 LEU HA H 1 4.38 0.01 . 1 . . . . . . . . 5615 1 296 . 1 1 35 35 LEU HB2 H 1 1.54 0.01 . 1 . . . . . . . . 5615 1 297 . 1 1 35 35 LEU HB3 H 1 1.54 0.01 . 1 . . . . . . . . 5615 1 298 . 1 1 35 35 LEU HD11 H 1 0.91 0.01 . 2 . . . . . . . . 5615 1 299 . 1 1 35 35 LEU HD12 H 1 0.91 0.01 . 2 . . . . . . . . 5615 1 300 . 1 1 35 35 LEU HD13 H 1 0.91 0.01 . 2 . . . . . . . . 5615 1 301 . 1 1 35 35 LEU HD21 H 1 0.84 0.01 . 2 . . . . . . . . 5615 1 302 . 1 1 35 35 LEU HD22 H 1 0.84 0.01 . 2 . . . . . . . . 5615 1 303 . 1 1 35 35 LEU HD23 H 1 0.84 0.01 . 2 . . . . . . . . 5615 1 304 . 1 1 35 35 LEU C C 13 177.4 0.1 . 1 . . . . . . . . 5615 1 305 . 1 1 35 35 LEU CA C 13 54.9 0.1 . 1 . . . . . . . . 5615 1 306 . 1 1 35 35 LEU CB C 13 42.7 0.1 . 1 . . . . . . . . 5615 1 307 . 1 1 35 35 LEU CG C 13 27.6 0.1 . 1 . . . . . . . . 5615 1 308 . 1 1 35 35 LEU CD1 C 13 26.5 0.1 . 1 . . . . . . . . 5615 1 309 . 1 1 35 35 LEU CD2 C 13 24.5 0.1 . 1 . . . . . . . . 5615 1 310 . 1 1 35 35 LEU N N 15 123.7 0.1 . 1 . . . . . . . . 5615 1 311 . 1 1 36 36 SER H H 1 9.48 0.01 . 1 . . . . . . . . 5615 1 312 . 1 1 36 36 SER HA H 1 4.91 0.01 . 1 . . . . . . . . 5615 1 313 . 1 1 36 36 SER C C 13 173.8 0.1 . 1 . . . . . . . . 5615 1 314 . 1 1 36 36 SER CA C 13 56.2 0.1 . 1 . . . . . . . . 5615 1 315 . 1 1 36 36 SER CB C 13 63.6 0.1 . 1 . . . . . . . . 5615 1 316 . 1 1 36 36 SER N N 15 122.1 0.1 . 1 . . . . . . . . 5615 1 317 . 1 1 37 37 PRO HA H 1 4.38 0.01 . 1 . . . . . . . . 5615 1 318 . 1 1 37 37 PRO HB2 H 1 2.45 0.01 . 2 . . . . . . . . 5615 1 319 . 1 1 37 37 PRO HB3 H 1 1.97 0.01 . 2 . . . . . . . . 5615 1 320 . 1 1 37 37 PRO HG2 H 1 2.23 0.01 . 2 . . . . . . . . 5615 1 321 . 1 1 37 37 PRO HG3 H 1 2.07 0.01 . 2 . . . . . . . . 5615 1 322 . 1 1 37 37 PRO HD2 H 1 3.99 0.01 . 1 . . . . . . . . 5615 1 323 . 1 1 37 37 PRO HD3 H 1 3.99 0.01 . 1 . . . . . . . . 5615 1 324 . 1 1 37 37 PRO C C 13 179.7 0.1 . 1 . . . . . . . . 5615 1 325 . 1 1 37 37 PRO CA C 13 65.9 0.1 . 1 . . . . . . . . 5615 1 326 . 1 1 37 37 PRO CB C 13 32.0 0.1 . 1 . . . . . . . . 5615 1 327 . 1 1 37 37 PRO CG C 13 28.1 0.1 . 1 . . . . . . . . 5615 1 328 . 1 1 37 37 PRO CD C 13 50.2 0.1 . 1 . . . . . . . . 5615 1 329 . 1 1 38 38 LYS H H 1 7.84 0.01 . 1 . . . . . . . . 5615 1 330 . 1 1 38 38 LYS HA H 1 4.31 0.01 . 1 . . . . . . . . 5615 1 331 . 1 1 38 38 LYS HB2 H 1 1.63 0.01 . 1 . . . . . . . . 5615 1 332 . 1 1 38 38 LYS HB3 H 1 1.63 0.01 . 1 . . . . . . . . 5615 1 333 . 1 1 38 38 LYS HG2 H 1 1.44 0.01 . 1 . . . . . . . . 5615 1 334 . 1 1 38 38 LYS HG3 H 1 1.44 0.01 . 1 . . . . . . . . 5615 1 335 . 1 1 38 38 LYS HD2 H 1 1.44 0.01 . 1 . . . . . . . . 5615 1 336 . 1 1 38 38 LYS HD3 H 1 1.44 0.01 . 1 . . . . . . . . 5615 1 337 . 1 1 38 38 LYS HE2 H 1 2.97 0.01 . 1 . . . . . . . . 5615 1 338 . 1 1 38 38 LYS HE3 H 1 2.97 0.01 . 1 . . . . . . . . 5615 1 339 . 1 1 38 38 LYS C C 13 179.5 0.1 . 1 . . . . . . . . 5615 1 340 . 1 1 38 38 LYS CA C 13 59.1 0.1 . 1 . . . . . . . . 5615 1 341 . 1 1 38 38 LYS CB C 13 32.8 0.1 . 1 . . . . . . . . 5615 1 342 . 1 1 38 38 LYS CG C 13 26.1 0.1 . 1 . . . . . . . . 5615 1 343 . 1 1 38 38 LYS CD C 13 29.1 0.1 . 1 . . . . . . . . 5615 1 344 . 1 1 38 38 LYS CE C 13 42.3 0.1 . 1 . . . . . . . . 5615 1 345 . 1 1 38 38 LYS N N 15 115.6 0.1 . 1 . . . . . . . . 5615 1 346 . 1 1 39 39 GLU H H 1 7.63 0.01 . 1 . . . . . . . . 5615 1 347 . 1 1 39 39 GLU HA H 1 3.62 0.01 . 1 . . . . . . . . 5615 1 348 . 1 1 39 39 GLU HB2 H 1 2.26 0.01 . 1 . . . . . . . . 5615 1 349 . 1 1 39 39 GLU HB3 H 1 1.75 0.01 . 1 . . . . . . . . 5615 1 350 . 1 1 39 39 GLU HG2 H 1 2.68 0.01 . 2 . . . . . . . . 5615 1 351 . 1 1 39 39 GLU HG3 H 1 2.54 0.01 . 2 . . . . . . . . 5615 1 352 . 1 1 39 39 GLU C C 13 178.7 0.1 . 1 . . . . . . . . 5615 1 353 . 1 1 39 39 GLU CA C 13 59.3 0.1 . 1 . . . . . . . . 5615 1 354 . 1 1 39 39 GLU CB C 13 30.6 0.1 . 1 . . . . . . . . 5615 1 355 . 1 1 39 39 GLU CG C 13 36.4 0.1 . 1 . . . . . . . . 5615 1 356 . 1 1 39 39 GLU N N 15 118.8 0.1 . 1 . . . . . . . . 5615 1 357 . 1 1 40 40 SER H H 1 8.66 0.01 . 1 . . . . . . . . 5615 1 358 . 1 1 40 40 SER HA H 1 3.97 0.01 . 1 . . . . . . . . 5615 1 359 . 1 1 40 40 SER HB2 H 1 3.99 0.01 . 1 . . . . . . . . 5615 1 360 . 1 1 40 40 SER HB3 H 1 3.99 0.01 . 1 . . . . . . . . 5615 1 361 . 1 1 40 40 SER C C 13 176.1 0.1 . 1 . . . . . . . . 5615 1 362 . 1 1 40 40 SER CA C 13 59.3 0.1 . 1 . . . . . . . . 5615 1 363 . 1 1 40 40 SER CB C 13 62.6 0.1 . 1 . . . . . . . . 5615 1 364 . 1 1 40 40 SER N N 15 113.8 0.1 . 1 . . . . . . . . 5615 1 365 . 1 1 41 41 GLU H H 1 7.76 0.01 . 1 . . . . . . . . 5615 1 366 . 1 1 41 41 GLU HA H 1 4.10 0.01 . 1 . . . . . . . . 5615 1 367 . 1 1 41 41 GLU HB2 H 1 2.17 0.01 . 2 . . . . . . . . 5615 1 368 . 1 1 41 41 GLU HB3 H 1 2.08 0.01 . 2 . . . . . . . . 5615 1 369 . 1 1 41 41 GLU HG2 H 1 2.32 0.01 . 1 . . . . . . . . 5615 1 370 . 1 1 41 41 GLU HG3 H 1 2.32 0.01 . 1 . . . . . . . . 5615 1 371 . 1 1 41 41 GLU C C 13 178.2 0.1 . 1 . . . . . . . . 5615 1 372 . 1 1 41 41 GLU CA C 13 59.1 0.1 . 1 . . . . . . . . 5615 1 373 . 1 1 41 41 GLU CB C 13 30.2 0.1 . 1 . . . . . . . . 5615 1 374 . 1 1 41 41 GLU CG C 13 36.2 0.1 . 1 . . . . . . . . 5615 1 375 . 1 1 41 41 GLU N N 15 120.3 0.1 . 1 . . . . . . . . 5615 1 376 . 1 1 42 42 VAL H H 1 7.28 0.01 . 1 . . . . . . . . 5615 1 377 . 1 1 42 42 VAL HA H 1 3.48 0.01 . 1 . . . . . . . . 5615 1 378 . 1 1 42 42 VAL HB H 1 2.16 0.01 . 1 . . . . . . . . 5615 1 379 . 1 1 42 42 VAL HG11 H 1 0.97 0.01 . 1 . . . . . . . . 5615 1 380 . 1 1 42 42 VAL HG12 H 1 0.97 0.01 . 1 . . . . . . . . 5615 1 381 . 1 1 42 42 VAL HG13 H 1 0.97 0.01 . 1 . . . . . . . . 5615 1 382 . 1 1 42 42 VAL HG21 H 1 1.16 0.01 . 1 . . . . . . . . 5615 1 383 . 1 1 42 42 VAL HG22 H 1 1.16 0.01 . 1 . . . . . . . . 5615 1 384 . 1 1 42 42 VAL HG23 H 1 1.16 0.01 . 1 . . . . . . . . 5615 1 385 . 1 1 42 42 VAL C C 13 177.5 0.1 . 1 . . . . . . . . 5615 1 386 . 1 1 42 42 VAL CA C 13 67.4 0.1 . 1 . . . . . . . . 5615 1 387 . 1 1 42 42 VAL CB C 13 32.1 0.1 . 1 . . . . . . . . 5615 1 388 . 1 1 42 42 VAL CG1 C 13 21.2 0.1 . 1 . . . . . . . . 5615 1 389 . 1 1 42 42 VAL CG2 C 13 24.5 0.1 . 1 . . . . . . . . 5615 1 390 . 1 1 42 42 VAL N N 15 118.2 0.1 . 1 . . . . . . . . 5615 1 391 . 1 1 43 43 LEU H H 1 8.14 0.01 . 1 . . . . . . . . 5615 1 392 . 1 1 43 43 LEU HA H 1 4.06 0.01 . 1 . . . . . . . . 5615 1 393 . 1 1 43 43 LEU HB2 H 1 1.90 0.01 . 2 . . . . . . . . 5615 1 394 . 1 1 43 43 LEU HB3 H 1 1.59 0.01 . 2 . . . . . . . . 5615 1 395 . 1 1 43 43 LEU HG H 1 1.59 0.01 . 1 . . . . . . . . 5615 1 396 . 1 1 43 43 LEU HD11 H 1 0.89 0.01 . 2 . . . . . . . . 5615 1 397 . 1 1 43 43 LEU HD12 H 1 0.89 0.01 . 2 . . . . . . . . 5615 1 398 . 1 1 43 43 LEU HD13 H 1 0.89 0.01 . 2 . . . . . . . . 5615 1 399 . 1 1 43 43 LEU HD21 H 1 0.80 0.01 . 2 . . . . . . . . 5615 1 400 . 1 1 43 43 LEU HD22 H 1 0.80 0.01 . 2 . . . . . . . . 5615 1 401 . 1 1 43 43 LEU HD23 H 1 0.80 0.01 . 2 . . . . . . . . 5615 1 402 . 1 1 43 43 LEU C C 13 178.4 0.1 . 1 . . . . . . . . 5615 1 403 . 1 1 43 43 LEU CA C 13 58.1 0.1 . 1 . . . . . . . . 5615 1 404 . 1 1 43 43 LEU CB C 13 41.2 0.1 . 1 . . . . . . . . 5615 1 405 . 1 1 43 43 LEU CG C 13 27.2 0.1 . 1 . . . . . . . . 5615 1 406 . 1 1 43 43 LEU CD1 C 13 26.1 0.1 . 1 . . . . . . . . 5615 1 407 . 1 1 43 43 LEU CD2 C 13 24.0 0.1 . 1 . . . . . . . . 5615 1 408 . 1 1 43 43 LEU N N 15 117.7 0.1 . 1 . . . . . . . . 5615 1 409 . 1 1 44 44 ARG H H 1 8.53 0.01 . 1 . . . . . . . . 5615 1 410 . 1 1 44 44 ARG HA H 1 3.88 0.01 . 1 . . . . . . . . 5615 1 411 . 1 1 44 44 ARG HB2 H 1 1.94 0.01 . 2 . . . . . . . . 5615 1 412 . 1 1 44 44 ARG HB3 H 1 1.90 0.01 . 2 . . . . . . . . 5615 1 413 . 1 1 44 44 ARG HG2 H 1 1.66 0.01 . 2 . . . . . . . . 5615 1 414 . 1 1 44 44 ARG HG3 H 1 1.56 0.01 . 2 . . . . . . . . 5615 1 415 . 1 1 44 44 ARG HD2 H 1 3.25 0.01 . 2 . . . . . . . . 5615 1 416 . 1 1 44 44 ARG HD3 H 1 3.14 0.01 . 2 . . . . . . . . 5615 1 417 . 1 1 44 44 ARG HE H 1 7.58 0.01 . 1 . . . . . . . . 5615 1 418 . 1 1 44 44 ARG C C 13 178.6 0.1 . 1 . . . . . . . . 5615 1 419 . 1 1 44 44 ARG CA C 13 59.9 0.1 . 1 . . . . . . . . 5615 1 420 . 1 1 44 44 ARG CB C 13 29.8 0.1 . 1 . . . . . . . . 5615 1 421 . 1 1 44 44 ARG CG C 13 27.9 0.1 . 1 . . . . . . . . 5615 1 422 . 1 1 44 44 ARG CD C 13 43.4 0.1 . 1 . . . . . . . . 5615 1 423 . 1 1 44 44 ARG N N 15 119.2 0.1 . 1 . . . . . . . . 5615 1 424 . 1 1 44 44 ARG NE N 15 126.2 0.1 . 1 . . . . . . . . 5615 1 425 . 1 1 45 45 LEU H H 1 7.53 0.01 . 1 . . . . . . . . 5615 1 426 . 1 1 45 45 LEU HA H 1 4.30 0.01 . 1 . . . . . . . . 5615 1 427 . 1 1 45 45 LEU HB2 H 1 1.90 0.01 . 2 . . . . . . . . 5615 1 428 . 1 1 45 45 LEU HB3 H 1 1.23 0.01 . 2 . . . . . . . . 5615 1 429 . 1 1 45 45 LEU HD11 H 1 0.78 0.01 . 1 . . . . . . . . 5615 1 430 . 1 1 45 45 LEU HD12 H 1 0.78 0.01 . 1 . . . . . . . . 5615 1 431 . 1 1 45 45 LEU HD13 H 1 0.78 0.01 . 1 . . . . . . . . 5615 1 432 . 1 1 45 45 LEU HD21 H 1 0.66 0.01 . 1 . . . . . . . . 5615 1 433 . 1 1 45 45 LEU HD22 H 1 0.66 0.01 . 1 . . . . . . . . 5615 1 434 . 1 1 45 45 LEU HD23 H 1 0.66 0.01 . 1 . . . . . . . . 5615 1 435 . 1 1 45 45 LEU C C 13 179.5 0.1 . 1 . . . . . . . . 5615 1 436 . 1 1 45 45 LEU CA C 13 57.7 0.1 . 1 . . . . . . . . 5615 1 437 . 1 1 45 45 LEU CB C 13 42.5 0.1 . 1 . . . . . . . . 5615 1 438 . 1 1 45 45 LEU CD1 C 13 27.2 0.1 . 1 . . . . . . . . 5615 1 439 . 1 1 45 45 LEU CD2 C 13 23.2 0.1 . 1 . . . . . . . . 5615 1 440 . 1 1 45 45 LEU N N 15 117.2 0.1 . 1 . . . . . . . . 5615 1 441 . 1 1 46 46 PHE H H 1 8.70 0.01 . 1 . . . . . . . . 5615 1 442 . 1 1 46 46 PHE HA H 1 4.61 0.01 . 1 . . . . . . . . 5615 1 443 . 1 1 46 46 PHE HB2 H 1 3.16 0.01 . 2 . . . . . . . . 5615 1 444 . 1 1 46 46 PHE HB3 H 1 3.09 0.01 . 2 . . . . . . . . 5615 1 445 . 1 1 46 46 PHE HD1 H 1 7.18 0.01 . 1 . . . . . . . . 5615 1 446 . 1 1 46 46 PHE HD2 H 1 7.18 0.01 . 1 . . . . . . . . 5615 1 447 . 1 1 46 46 PHE HE1 H 1 7.24 0.01 . 1 . . . . . . . . 5615 1 448 . 1 1 46 46 PHE HE2 H 1 7.24 0.01 . 1 . . . . . . . . 5615 1 449 . 1 1 46 46 PHE C C 13 179.9 0.1 . 1 . . . . . . . . 5615 1 450 . 1 1 46 46 PHE CA C 13 61.7 0.1 . 1 . . . . . . . . 5615 1 451 . 1 1 46 46 PHE CB C 13 39.4 0.1 . 1 . . . . . . . . 5615 1 452 . 1 1 46 46 PHE N N 15 122.1 0.1 . 1 . . . . . . . . 5615 1 453 . 1 1 47 47 ALA H H 1 8.88 0.01 . 1 . . . . . . . . 5615 1 454 . 1 1 47 47 ALA HA H 1 3.95 0.01 . 1 . . . . . . . . 5615 1 455 . 1 1 47 47 ALA HB1 H 1 1.59 0.01 . 1 . . . . . . . . 5615 1 456 . 1 1 47 47 ALA HB2 H 1 1.59 0.01 . 1 . . . . . . . . 5615 1 457 . 1 1 47 47 ALA HB3 H 1 1.59 0.01 . 1 . . . . . . . . 5615 1 458 . 1 1 47 47 ALA C C 13 178.8 0.1 . 1 . . . . . . . . 5615 1 459 . 1 1 47 47 ALA CA C 13 54.6 0.1 . 1 . . . . . . . . 5615 1 460 . 1 1 47 47 ALA CB C 13 18.3 0.1 . 1 . . . . . . . . 5615 1 461 . 1 1 47 47 ALA N N 15 123.1 0.1 . 1 . . . . . . . . 5615 1 462 . 1 1 48 48 GLU H H 1 7.67 0.01 . 1 . . . . . . . . 5615 1 463 . 1 1 48 48 GLU HA H 1 4.17 0.01 . 1 . . . . . . . . 5615 1 464 . 1 1 48 48 GLU HB2 H 1 2.32 0.01 . 2 . . . . . . . . 5615 1 465 . 1 1 48 48 GLU HB3 H 1 2.31 0.01 . 2 . . . . . . . . 5615 1 466 . 1 1 48 48 GLU HG2 H 1 2.68 0.01 . 1 . . . . . . . . 5615 1 467 . 1 1 48 48 GLU HG3 H 1 2.68 0.01 . 1 . . . . . . . . 5615 1 468 . 1 1 48 48 GLU C C 13 176.4 0.1 . 1 . . . . . . . . 5615 1 469 . 1 1 48 48 GLU CA C 13 56.9 0.1 . 1 . . . . . . . . 5615 1 470 . 1 1 48 48 GLU CB C 13 30.3 0.1 . 1 . . . . . . . . 5615 1 471 . 1 1 48 48 GLU CG C 13 37.1 0.1 . 1 . . . . . . . . 5615 1 472 . 1 1 48 48 GLU N N 15 116.3 0.1 . 1 . . . . . . . . 5615 1 473 . 1 1 49 49 GLY H H 1 7.70 0.01 . 1 . . . . . . . . 5615 1 474 . 1 1 49 49 GLY HA2 H 1 4.05 0.01 . 1 . . . . . . . . 5615 1 475 . 1 1 49 49 GLY HA3 H 1 3.51 0.01 . 1 . . . . . . . . 5615 1 476 . 1 1 49 49 GLY C C 13 174.7 0.1 . 1 . . . . . . . . 5615 1 477 . 1 1 49 49 GLY CA C 13 45.1 0.1 . 1 . . . . . . . . 5615 1 478 . 1 1 49 49 GLY N N 15 105.7 0.1 . 1 . . . . . . . . 5615 1 479 . 1 1 50 50 PHE H H 1 7.51 0.01 . 1 . . . . . . . . 5615 1 480 . 1 1 50 50 PHE HA H 1 4.53 0.01 . 1 . . . . . . . . 5615 1 481 . 1 1 50 50 PHE HB2 H 1 2.93 0.01 . 2 . . . . . . . . 5615 1 482 . 1 1 50 50 PHE HB3 H 1 2.55 0.01 . 2 . . . . . . . . 5615 1 483 . 1 1 50 50 PHE HD1 H 1 7.45 0.01 . 1 . . . . . . . . 5615 1 484 . 1 1 50 50 PHE HD2 H 1 7.45 0.01 . 1 . . . . . . . . 5615 1 485 . 1 1 50 50 PHE HE1 H 1 7.41 0.01 . 1 . . . . . . . . 5615 1 486 . 1 1 50 50 PHE HE2 H 1 7.41 0.01 . 1 . . . . . . . . 5615 1 487 . 1 1 50 50 PHE HZ H 1 7.28 0.01 . 1 . . . . . . . . 5615 1 488 . 1 1 50 50 PHE C C 13 175.6 0.1 . 1 . . . . . . . . 5615 1 489 . 1 1 50 50 PHE CA C 13 58.7 0.1 . 1 . . . . . . . . 5615 1 490 . 1 1 50 50 PHE CB C 13 39.6 0.1 . 1 . . . . . . . . 5615 1 491 . 1 1 50 50 PHE N N 15 118.9 0.1 . 1 . . . . . . . . 5615 1 492 . 1 1 51 51 LEU H H 1 9.09 0.01 . 1 . . . . . . . . 5615 1 493 . 1 1 51 51 LEU HA H 1 4.63 0.01 . 1 . . . . . . . . 5615 1 494 . 1 1 51 51 LEU HB2 H 1 1.92 0.01 . 2 . . . . . . . . 5615 1 495 . 1 1 51 51 LEU HB3 H 1 1.70 0.01 . 2 . . . . . . . . 5615 1 496 . 1 1 51 51 LEU HG H 1 1.70 0.01 . 1 . . . . . . . . 5615 1 497 . 1 1 51 51 LEU HD11 H 1 0.98 0.01 . 2 . . . . . . . . 5615 1 498 . 1 1 51 51 LEU HD12 H 1 0.98 0.01 . 2 . . . . . . . . 5615 1 499 . 1 1 51 51 LEU HD13 H 1 0.98 0.01 . 2 . . . . . . . . 5615 1 500 . 1 1 51 51 LEU HD21 H 1 0.96 0.01 . 2 . . . . . . . . 5615 1 501 . 1 1 51 51 LEU HD22 H 1 0.96 0.01 . 2 . . . . . . . . 5615 1 502 . 1 1 51 51 LEU HD23 H 1 0.96 0.01 . 2 . . . . . . . . 5615 1 503 . 1 1 51 51 LEU C C 13 180.0 0.1 . 1 . . . . . . . . 5615 1 504 . 1 1 51 51 LEU CA C 13 53.8 0.1 . 1 . . . . . . . . 5615 1 505 . 1 1 51 51 LEU CB C 13 43.3 0.1 . 1 . . . . . . . . 5615 1 506 . 1 1 51 51 LEU CG C 13 27.5 0.1 . 1 . . . . . . . . 5615 1 507 . 1 1 51 51 LEU CD1 C 13 25.5 0.1 . 1 . . . . . . . . 5615 1 508 . 1 1 51 51 LEU CD2 C 13 22.5 0.1 . 1 . . . . . . . . 5615 1 509 . 1 1 51 51 LEU N N 15 121.2 0.1 . 1 . . . . . . . . 5615 1 510 . 1 1 52 52 VAL H H 1 9.25 0.01 . 1 . . . . . . . . 5615 1 511 . 1 1 52 52 VAL HA H 1 3.67 0.01 . 1 . . . . . . . . 5615 1 512 . 1 1 52 52 VAL HB H 1 2.30 0.01 . 1 . . . . . . . . 5615 1 513 . 1 1 52 52 VAL HG11 H 1 1.17 0.01 . 1 . . . . . . . . 5615 1 514 . 1 1 52 52 VAL HG12 H 1 1.17 0.01 . 1 . . . . . . . . 5615 1 515 . 1 1 52 52 VAL HG13 H 1 1.17 0.01 . 1 . . . . . . . . 5615 1 516 . 1 1 52 52 VAL HG21 H 1 1.05 0.01 . 1 . . . . . . . . 5615 1 517 . 1 1 52 52 VAL HG22 H 1 1.05 0.01 . 1 . . . . . . . . 5615 1 518 . 1 1 52 52 VAL HG23 H 1 1.05 0.01 . 1 . . . . . . . . 5615 1 519 . 1 1 52 52 VAL C C 13 177.0 0.1 . 1 . . . . . . . . 5615 1 520 . 1 1 52 52 VAL CA C 13 68.1 0.1 . 1 . . . . . . . . 5615 1 521 . 1 1 52 52 VAL CB C 13 31.4 0.1 . 1 . . . . . . . . 5615 1 522 . 1 1 52 52 VAL CG1 C 13 22.7 0.1 . 1 . . . . . . . . 5615 1 523 . 1 1 52 52 VAL CG2 C 13 21.0 0.1 . 1 . . . . . . . . 5615 1 524 . 1 1 52 52 VAL N N 15 121.5 0.1 . 1 . . . . . . . . 5615 1 525 . 1 1 53 53 THR H H 1 7.84 0.01 . 1 . . . . . . . . 5615 1 526 . 1 1 53 53 THR HA H 1 3.92 0.01 . 1 . . . . . . . . 5615 1 527 . 1 1 53 53 THR HB H 1 4.23 0.01 . 1 . . . . . . . . 5615 1 528 . 1 1 53 53 THR HG21 H 1 1.38 0.01 . 1 . . . . . . . . 5615 1 529 . 1 1 53 53 THR HG22 H 1 1.38 0.01 . 1 . . . . . . . . 5615 1 530 . 1 1 53 53 THR HG23 H 1 1.38 0.01 . 1 . . . . . . . . 5615 1 531 . 1 1 53 53 THR C C 13 177.2 0.1 . 1 . . . . . . . . 5615 1 532 . 1 1 53 53 THR CA C 13 65.0 0.1 . 1 . . . . . . . . 5615 1 533 . 1 1 53 53 THR CB C 13 68.0 0.1 . 1 . . . . . . . . 5615 1 534 . 1 1 53 53 THR CG2 C 13 23.0 0.1 . 1 . . . . . . . . 5615 1 535 . 1 1 53 53 THR N N 15 108.9 0.1 . 1 . . . . . . . . 5615 1 536 . 1 1 54 54 GLU H H 1 6.99 0.01 . 1 . . . . . . . . 5615 1 537 . 1 1 54 54 GLU HA H 1 4.23 0.01 . 1 . . . . . . . . 5615 1 538 . 1 1 54 54 GLU HB2 H 1 2.18 0.01 . 1 . . . . . . . . 5615 1 539 . 1 1 54 54 GLU HB3 H 1 2.18 0.01 . 1 . . . . . . . . 5615 1 540 . 1 1 54 54 GLU HG2 H 1 2.68 0.01 . 2 . . . . . . . . 5615 1 541 . 1 1 54 54 GLU HG3 H 1 2.42 0.01 . 2 . . . . . . . . 5615 1 542 . 1 1 54 54 GLU C C 13 179.1 0.1 . 1 . . . . . . . . 5615 1 543 . 1 1 54 54 GLU CA C 13 58.4 0.1 . 1 . . . . . . . . 5615 1 544 . 1 1 54 54 GLU CB C 13 30.4 0.1 . 1 . . . . . . . . 5615 1 545 . 1 1 54 54 GLU CG C 13 37.4 0.1 . 1 . . . . . . . . 5615 1 546 . 1 1 54 54 GLU N N 15 121.8 0.1 . 1 . . . . . . . . 5615 1 547 . 1 1 55 55 ILE H H 1 8.70 0.01 . 1 . . . . . . . . 5615 1 548 . 1 1 55 55 ILE HA H 1 3.26 0.01 . 1 . . . . . . . . 5615 1 549 . 1 1 55 55 ILE HB H 1 1.92 0.01 . 1 . . . . . . . . 5615 1 550 . 1 1 55 55 ILE HG12 H 1 0.92 0.01 . 1 . . . . . . . . 5615 1 551 . 1 1 55 55 ILE HG13 H 1 0.92 0.01 . 1 . . . . . . . . 5615 1 552 . 1 1 55 55 ILE HG21 H 1 0.92 0.01 . 1 . . . . . . . . 5615 1 553 . 1 1 55 55 ILE HG22 H 1 0.92 0.01 . 1 . . . . . . . . 5615 1 554 . 1 1 55 55 ILE HG23 H 1 0.92 0.01 . 1 . . . . . . . . 5615 1 555 . 1 1 55 55 ILE HD11 H 1 0.71 0.01 . 1 . . . . . . . . 5615 1 556 . 1 1 55 55 ILE HD12 H 1 0.71 0.01 . 1 . . . . . . . . 5615 1 557 . 1 1 55 55 ILE HD13 H 1 0.71 0.01 . 1 . . . . . . . . 5615 1 558 . 1 1 55 55 ILE C C 13 176.8 0.1 . 1 . . . . . . . . 5615 1 559 . 1 1 55 55 ILE CA C 13 66.5 0.1 . 1 . . . . . . . . 5615 1 560 . 1 1 55 55 ILE CB C 13 38.1 0.1 . 1 . . . . . . . . 5615 1 561 . 1 1 55 55 ILE CG1 C 13 29.5 0.1 . 1 . . . . . . . . 5615 1 562 . 1 1 55 55 ILE CG2 C 13 18.7 0.1 . 1 . . . . . . . . 5615 1 563 . 1 1 55 55 ILE CD1 C 13 12.8 0.1 . 1 . . . . . . . . 5615 1 564 . 1 1 55 55 ILE N N 15 122.1 0.1 . 1 . . . . . . . . 5615 1 565 . 1 1 56 56 ALA H H 1 8.23 0.01 . 1 . . . . . . . . 5615 1 566 . 1 1 56 56 ALA HA H 1 3.78 0.01 . 1 . . . . . . . . 5615 1 567 . 1 1 56 56 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 5615 1 568 . 1 1 56 56 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 5615 1 569 . 1 1 56 56 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 5615 1 570 . 1 1 56 56 ALA C C 13 179.3 0.1 . 1 . . . . . . . . 5615 1 571 . 1 1 56 56 ALA CA C 13 56.3 0.1 . 1 . . . . . . . . 5615 1 572 . 1 1 56 56 ALA CB C 13 18.3 0.1 . 1 . . . . . . . . 5615 1 573 . 1 1 56 56 ALA N N 15 121.2 0.1 . 1 . . . . . . . . 5615 1 574 . 1 1 57 57 LYS H H 1 7.04 0.01 . 1 . . . . . . . . 5615 1 575 . 1 1 57 57 LYS HA H 1 4.16 0.01 . 1 . . . . . . . . 5615 1 576 . 1 1 57 57 LYS HB2 H 1 1.95 0.01 . 1 . . . . . . . . 5615 1 577 . 1 1 57 57 LYS HB3 H 1 1.75 0.01 . 1 . . . . . . . . 5615 1 578 . 1 1 57 57 LYS HG2 H 1 1.61 0.01 . 1 . . . . . . . . 5615 1 579 . 1 1 57 57 LYS HG3 H 1 1.61 0.01 . 1 . . . . . . . . 5615 1 580 . 1 1 57 57 LYS HD2 H 1 1.56 0.01 . 1 . . . . . . . . 5615 1 581 . 1 1 57 57 LYS HD3 H 1 1.56 0.01 . 1 . . . . . . . . 5615 1 582 . 1 1 57 57 LYS HE2 H 1 3.02 0.01 . 1 . . . . . . . . 5615 1 583 . 1 1 57 57 LYS HE3 H 1 3.02 0.01 . 1 . . . . . . . . 5615 1 584 . 1 1 57 57 LYS C C 13 179.5 0.1 . 1 . . . . . . . . 5615 1 585 . 1 1 57 57 LYS CA C 13 58.8 0.1 . 1 . . . . . . . . 5615 1 586 . 1 1 57 57 LYS CB C 13 32.4 0.1 . 1 . . . . . . . . 5615 1 587 . 1 1 57 57 LYS CG C 13 24.9 0.1 . 1 . . . . . . . . 5615 1 588 . 1 1 57 57 LYS CD C 13 29.2 0.1 . 1 . . . . . . . . 5615 1 589 . 1 1 57 57 LYS CE C 13 42.4 0.1 . 1 . . . . . . . . 5615 1 590 . 1 1 57 57 LYS N N 15 115.7 0.1 . 1 . . . . . . . . 5615 1 591 . 1 1 58 58 LYS H H 1 8.18 0.01 . 1 . . . . . . . . 5615 1 592 . 1 1 58 58 LYS HA H 1 3.94 0.01 . 1 . . . . . . . . 5615 1 593 . 1 1 58 58 LYS HB2 H 1 1.71 0.01 . 1 . . . . . . . . 5615 1 594 . 1 1 58 58 LYS HB3 H 1 1.71 0.01 . 1 . . . . . . . . 5615 1 595 . 1 1 58 58 LYS HG2 H 1 1.42 0.01 . 1 . . . . . . . . 5615 1 596 . 1 1 58 58 LYS HG3 H 1 1.42 0.01 . 1 . . . . . . . . 5615 1 597 . 1 1 58 58 LYS HD2 H 1 1.33 0.01 . 2 . . . . . . . . 5615 1 598 . 1 1 58 58 LYS HD3 H 1 1.20 0.01 . 2 . . . . . . . . 5615 1 599 . 1 1 58 58 LYS HE2 H 1 2.32 0.01 . 2 . . . . . . . . 5615 1 600 . 1 1 58 58 LYS HE3 H 1 2.23 0.01 . 2 . . . . . . . . 5615 1 601 . 1 1 58 58 LYS C C 13 178.4 0.1 . 1 . . . . . . . . 5615 1 602 . 1 1 58 58 LYS CA C 13 59.2 0.1 . 1 . . . . . . . . 5615 1 603 . 1 1 58 58 LYS CB C 13 32.9 0.1 . 1 . . . . . . . . 5615 1 604 . 1 1 58 58 LYS CG C 13 24.7 0.1 . 1 . . . . . . . . 5615 1 605 . 1 1 58 58 LYS CD C 13 29.5 0.1 . 1 . . . . . . . . 5615 1 606 . 1 1 58 58 LYS CE C 13 40.9 0.1 . 1 . . . . . . . . 5615 1 607 . 1 1 58 58 LYS N N 15 119.4 0.1 . 1 . . . . . . . . 5615 1 608 . 1 1 59 59 LEU H H 1 8.18 0.01 . 1 . . . . . . . . 5615 1 609 . 1 1 59 59 LEU HA H 1 4.36 0.01 . 1 . . . . . . . . 5615 1 610 . 1 1 59 59 LEU HB2 H 1 1.45 0.01 . 1 . . . . . . . . 5615 1 611 . 1 1 59 59 LEU HB3 H 1 1.45 0.01 . 1 . . . . . . . . 5615 1 612 . 1 1 59 59 LEU HG H 1 1.59 0.01 . 1 . . . . . . . . 5615 1 613 . 1 1 59 59 LEU HD11 H 1 0.67 0.01 . 2 . . . . . . . . 5615 1 614 . 1 1 59 59 LEU HD12 H 1 0.67 0.01 . 2 . . . . . . . . 5615 1 615 . 1 1 59 59 LEU HD13 H 1 0.67 0.01 . 2 . . . . . . . . 5615 1 616 . 1 1 59 59 LEU HD21 H 1 0.69 0.01 . 2 . . . . . . . . 5615 1 617 . 1 1 59 59 LEU HD22 H 1 0.69 0.01 . 2 . . . . . . . . 5615 1 618 . 1 1 59 59 LEU HD23 H 1 0.69 0.01 . 2 . . . . . . . . 5615 1 619 . 1 1 59 59 LEU C C 13 176.1 0.1 . 1 . . . . . . . . 5615 1 620 . 1 1 59 59 LEU CA C 13 53.9 0.1 . 1 . . . . . . . . 5615 1 621 . 1 1 59 59 LEU CB C 13 41.2 0.1 . 1 . . . . . . . . 5615 1 622 . 1 1 59 59 LEU CD1 C 13 26.6 0.1 . 1 . . . . . . . . 5615 1 623 . 1 1 59 59 LEU CD2 C 13 21.7 0.1 . 1 . . . . . . . . 5615 1 624 . 1 1 59 59 LEU N N 15 113.8 0.1 . 1 . . . . . . . . 5615 1 625 . 1 1 60 60 ASN H H 1 7.88 0.01 . 1 . . . . . . . . 5615 1 626 . 1 1 60 60 ASN HA H 1 4.38 0.01 . 1 . . . . . . . . 5615 1 627 . 1 1 60 60 ASN HB2 H 1 3.23 0.01 . 1 . . . . . . . . 5615 1 628 . 1 1 60 60 ASN HB3 H 1 2.64 0.01 . 1 . . . . . . . . 5615 1 629 . 1 1 60 60 ASN HD21 H 1 7.60 0.01 . 2 . . . . . . . . 5615 1 630 . 1 1 60 60 ASN HD22 H 1 6.85 0.01 . 2 . . . . . . . . 5615 1 631 . 1 1 60 60 ASN C C 13 174.4 0.1 . 1 . . . . . . . . 5615 1 632 . 1 1 60 60 ASN CA C 13 54.0 0.1 . 1 . . . . . . . . 5615 1 633 . 1 1 60 60 ASN CB C 13 37.1 0.1 . 1 . . . . . . . . 5615 1 634 . 1 1 60 60 ASN N N 15 118.6 0.1 . 1 . . . . . . . . 5615 1 635 . 1 1 60 60 ASN ND2 N 15 112.1 0.1 . 1 . . . . . . . . 5615 1 636 . 1 1 61 61 ARG H H 1 8.23 0.01 . 1 . . . . . . . . 5615 1 637 . 1 1 61 61 ARG HA H 1 4.77 0.01 . 1 . . . . . . . . 5615 1 638 . 1 1 61 61 ARG HB2 H 1 1.80 0.01 . 2 . . . . . . . . 5615 1 639 . 1 1 61 61 ARG HB3 H 1 1.42 0.01 . 2 . . . . . . . . 5615 1 640 . 1 1 61 61 ARG HG2 H 1 1.66 0.01 . 2 . . . . . . . . 5615 1 641 . 1 1 61 61 ARG HG3 H 1 1.42 0.01 . 2 . . . . . . . . 5615 1 642 . 1 1 61 61 ARG HD2 H 1 3.37 0.01 . 2 . . . . . . . . 5615 1 643 . 1 1 61 61 ARG HD3 H 1 3.02 0.01 . 2 . . . . . . . . 5615 1 644 . 1 1 61 61 ARG C C 13 174.6 0.1 . 1 . . . . . . . . 5615 1 645 . 1 1 61 61 ARG CA C 13 54.1 0.1 . 1 . . . . . . . . 5615 1 646 . 1 1 61 61 ARG CB C 13 35.0 0.1 . 1 . . . . . . . . 5615 1 647 . 1 1 61 61 ARG CG C 13 27.9 0.1 . 1 . . . . . . . . 5615 1 648 . 1 1 61 61 ARG CD C 13 44.4 0.1 . 1 . . . . . . . . 5615 1 649 . 1 1 61 61 ARG N N 15 116.0 0.1 . 1 . . . . . . . . 5615 1 650 . 1 1 62 62 SER H H 1 8.81 0.01 . 1 . . . . . . . . 5615 1 651 . 1 1 62 62 SER HA H 1 4.43 0.01 . 1 . . . . . . . . 5615 1 652 . 1 1 62 62 SER HB2 H 1 4.07 0.01 . 1 . . . . . . . . 5615 1 653 . 1 1 62 62 SER HB3 H 1 4.07 0.01 . 1 . . . . . . . . 5615 1 654 . 1 1 62 62 SER C C 13 175.2 0.1 . 1 . . . . . . . . 5615 1 655 . 1 1 62 62 SER CA C 13 57.5 0.1 . 1 . . . . . . . . 5615 1 656 . 1 1 62 62 SER CB C 13 64.9 0.1 . 1 . . . . . . . . 5615 1 657 . 1 1 62 62 SER N N 15 115.8 0.1 . 1 . . . . . . . . 5615 1 658 . 1 1 63 63 ILE H H 1 8.88 0.01 . 1 . . . . . . . . 5615 1 659 . 1 1 63 63 ILE HA H 1 3.53 0.01 . 1 . . . . . . . . 5615 1 660 . 1 1 63 63 ILE HB H 1 1.82 0.01 . 1 . . . . . . . . 5615 1 661 . 1 1 63 63 ILE HG12 H 1 1.71 0.01 . 2 . . . . . . . . 5615 1 662 . 1 1 63 63 ILE HG13 H 1 1.04 0.01 . 2 . . . . . . . . 5615 1 663 . 1 1 63 63 ILE HG21 H 1 1.01 0.01 . 1 . . . . . . . . 5615 1 664 . 1 1 63 63 ILE HG22 H 1 1.01 0.01 . 1 . . . . . . . . 5615 1 665 . 1 1 63 63 ILE HG23 H 1 1.01 0.01 . 1 . . . . . . . . 5615 1 666 . 1 1 63 63 ILE HD11 H 1 0.92 0.01 . 1 . . . . . . . . 5615 1 667 . 1 1 63 63 ILE HD12 H 1 0.92 0.01 . 1 . . . . . . . . 5615 1 668 . 1 1 63 63 ILE HD13 H 1 0.92 0.01 . 1 . . . . . . . . 5615 1 669 . 1 1 63 63 ILE C C 13 178.4 0.1 . 1 . . . . . . . . 5615 1 670 . 1 1 63 63 ILE CA C 13 65.7 0.1 . 1 . . . . . . . . 5615 1 671 . 1 1 63 63 ILE CB C 13 38.1 0.1 . 1 . . . . . . . . 5615 1 672 . 1 1 63 63 ILE CG1 C 13 29.7 0.1 . 1 . . . . . . . . 5615 1 673 . 1 1 63 63 ILE CG2 C 13 17.3 0.1 . 1 . . . . . . . . 5615 1 674 . 1 1 63 63 ILE CD1 C 13 14.0 0.1 . 1 . . . . . . . . 5615 1 675 . 1 1 63 63 ILE N N 15 122.0 0.1 . 1 . . . . . . . . 5615 1 676 . 1 1 64 64 LYS H H 1 8.40 0.01 . 1 . . . . . . . . 5615 1 677 . 1 1 64 64 LYS HA H 1 4.06 0.01 . 1 . . . . . . . . 5615 1 678 . 1 1 64 64 LYS HB2 H 1 1.87 0.01 . 2 . . . . . . . . 5615 1 679 . 1 1 64 64 LYS HB3 H 1 1.82 0.01 . 2 . . . . . . . . 5615 1 680 . 1 1 64 64 LYS HG2 H 1 1.71 0.01 . 2 . . . . . . . . 5615 1 681 . 1 1 64 64 LYS HG3 H 1 1.49 0.01 . 2 . . . . . . . . 5615 1 682 . 1 1 64 64 LYS HD2 H 1 1.42 0.01 . 1 . . . . . . . . 5615 1 683 . 1 1 64 64 LYS HD3 H 1 1.42 0.01 . 1 . . . . . . . . 5615 1 684 . 1 1 64 64 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 5615 1 685 . 1 1 64 64 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 5615 1 686 . 1 1 64 64 LYS C C 13 179.3 0.1 . 1 . . . . . . . . 5615 1 687 . 1 1 64 64 LYS CA C 13 59.7 0.1 . 1 . . . . . . . . 5615 1 688 . 1 1 64 64 LYS CB C 13 32.3 0.1 . 1 . . . . . . . . 5615 1 689 . 1 1 64 64 LYS CG C 13 25.2 0.1 . 1 . . . . . . . . 5615 1 690 . 1 1 64 64 LYS CD C 13 29.5 0.1 . 1 . . . . . . . . 5615 1 691 . 1 1 64 64 LYS CE C 13 42.1 0.1 . 1 . . . . . . . . 5615 1 692 . 1 1 64 64 LYS N N 15 121.2 0.1 . 1 . . . . . . . . 5615 1 693 . 1 1 65 65 THR H H 1 8.18 0.01 . 1 . . . . . . . . 5615 1 694 . 1 1 65 65 THR HA H 1 3.94 0.01 . 1 . . . . . . . . 5615 1 695 . 1 1 65 65 THR HB H 1 3.80 0.01 . 1 . . . . . . . . 5615 1 696 . 1 1 65 65 THR HG21 H 1 1.20 0.01 . 1 . . . . . . . . 5615 1 697 . 1 1 65 65 THR HG22 H 1 1.20 0.01 . 1 . . . . . . . . 5615 1 698 . 1 1 65 65 THR HG23 H 1 1.20 0.01 . 1 . . . . . . . . 5615 1 699 . 1 1 65 65 THR C C 13 176.1 0.1 . 1 . . . . . . . . 5615 1 700 . 1 1 65 65 THR CA C 13 66.9 0.1 . 1 . . . . . . . . 5615 1 701 . 1 1 65 65 THR CB C 13 67.6 0.1 . 1 . . . . . . . . 5615 1 702 . 1 1 65 65 THR CG2 C 13 22.2 0.1 . 1 . . . . . . . . 5615 1 703 . 1 1 65 65 THR N N 15 119.4 0.1 . 1 . . . . . . . . 5615 1 704 . 1 1 66 66 ILE H H 1 8.43 0.01 . 1 . . . . . . . . 5615 1 705 . 1 1 66 66 ILE HA H 1 3.86 0.01 . 1 . . . . . . . . 5615 1 706 . 1 1 66 66 ILE HB H 1 2.21 0.01 . 1 . . . . . . . . 5615 1 707 . 1 1 66 66 ILE HG12 H 1 1.82 0.01 . 1 . . . . . . . . 5615 1 708 . 1 1 66 66 ILE HG13 H 1 1.82 0.01 . 1 . . . . . . . . 5615 1 709 . 1 1 66 66 ILE HG21 H 1 1.00 0.01 . 1 . . . . . . . . 5615 1 710 . 1 1 66 66 ILE HG22 H 1 1.00 0.01 . 1 . . . . . . . . 5615 1 711 . 1 1 66 66 ILE HG23 H 1 1.00 0.01 . 1 . . . . . . . . 5615 1 712 . 1 1 66 66 ILE HD11 H 1 0.73 0.01 . 1 . . . . . . . . 5615 1 713 . 1 1 66 66 ILE HD12 H 1 0.73 0.01 . 1 . . . . . . . . 5615 1 714 . 1 1 66 66 ILE HD13 H 1 0.73 0.01 . 1 . . . . . . . . 5615 1 715 . 1 1 66 66 ILE C C 13 178.4 0.1 . 1 . . . . . . . . 5615 1 716 . 1 1 66 66 ILE CA C 13 62.0 0.1 . 1 . . . . . . . . 5615 1 717 . 1 1 66 66 ILE CB C 13 35.0 0.1 . 1 . . . . . . . . 5615 1 718 . 1 1 66 66 ILE CG1 C 13 26.5 0.1 . 1 . . . . . . . . 5615 1 719 . 1 1 66 66 ILE CG2 C 13 19.2 0.1 . 1 . . . . . . . . 5615 1 720 . 1 1 66 66 ILE CD1 C 13 11.8 0.1 . 1 . . . . . . . . 5615 1 721 . 1 1 66 66 ILE N N 15 120.6 0.1 . 1 . . . . . . . . 5615 1 722 . 1 1 67 67 SER H H 1 8.92 0.01 . 1 . . . . . . . . 5615 1 723 . 1 1 67 67 SER HA H 1 4.08 0.01 . 1 . . . . . . . . 5615 1 724 . 1 1 67 67 SER HB2 H 1 3.97 0.01 . 1 . . . . . . . . 5615 1 725 . 1 1 67 67 SER HB3 H 1 3.97 0.01 . 1 . . . . . . . . 5615 1 726 . 1 1 67 67 SER C C 13 178.4 0.1 . 1 . . . . . . . . 5615 1 727 . 1 1 67 67 SER CA C 13 62.6 0.1 . 1 . . . . . . . . 5615 1 728 . 1 1 67 67 SER CB C 13 62.6 0.1 . 1 . . . . . . . . 5615 1 729 . 1 1 67 67 SER N N 15 115.2 0.1 . 1 . . . . . . . . 5615 1 730 . 1 1 68 68 SER H H 1 8.17 0.01 . 1 . . . . . . . . 5615 1 731 . 1 1 68 68 SER HA H 1 4.27 0.01 . 1 . . . . . . . . 5615 1 732 . 1 1 68 68 SER HB2 H 1 4.14 0.01 . 1 . . . . . . . . 5615 1 733 . 1 1 68 68 SER HB3 H 1 4.14 0.01 . 1 . . . . . . . . 5615 1 734 . 1 1 68 68 SER C C 13 177.1 0.1 . 1 . . . . . . . . 5615 1 735 . 1 1 68 68 SER CA C 13 62.1 0.1 . 1 . . . . . . . . 5615 1 736 . 1 1 68 68 SER CB C 13 62.1 0.1 . 1 . . . . . . . . 5615 1 737 . 1 1 68 68 SER N N 15 118.3 0.1 . 1 . . . . . . . . 5615 1 738 . 1 1 69 69 GLN H H 1 8.51 0.01 . 1 . . . . . . . . 5615 1 739 . 1 1 69 69 GLN HA H 1 4.32 0.01 . 1 . . . . . . . . 5615 1 740 . 1 1 69 69 GLN HB2 H 1 2.47 0.01 . 2 . . . . . . . . 5615 1 741 . 1 1 69 69 GLN HB3 H 1 1.56 0.01 . 2 . . . . . . . . 5615 1 742 . 1 1 69 69 GLN HG2 H 1 2.69 0.01 . 2 . . . . . . . . 5615 1 743 . 1 1 69 69 GLN HG3 H 1 2.47 0.01 . 2 . . . . . . . . 5615 1 744 . 1 1 69 69 GLN HE21 H 1 7.42 0.01 . 2 . . . . . . . . 5615 1 745 . 1 1 69 69 GLN HE22 H 1 5.86 0.01 . 2 . . . . . . . . 5615 1 746 . 1 1 69 69 GLN C C 13 177.9 0.1 . 1 . . . . . . . . 5615 1 747 . 1 1 69 69 GLN CA C 13 58.9 0.1 . 1 . . . . . . . . 5615 1 748 . 1 1 69 69 GLN CB C 13 27.9 0.1 . 1 . . . . . . . . 5615 1 749 . 1 1 69 69 GLN CG C 13 34.4 0.1 . 1 . . . . . . . . 5615 1 750 . 1 1 69 69 GLN N N 15 124.2 0.1 . 1 . . . . . . . . 5615 1 751 . 1 1 69 69 GLN NE2 N 15 107.7 0.1 . 1 . . . . . . . . 5615 1 752 . 1 1 70 70 LYS H H 1 8.80 0.01 . 1 . . . . . . . . 5615 1 753 . 1 1 70 70 LYS HA H 1 3.71 0.01 . 1 . . . . . . . . 5615 1 754 . 1 1 70 70 LYS HB2 H 1 2.16 0.01 . 2 . . . . . . . . 5615 1 755 . 1 1 70 70 LYS HB3 H 1 1.95 0.01 . 2 . . . . . . . . 5615 1 756 . 1 1 70 70 LYS HG2 H 1 1.57 0.01 . 2 . . . . . . . . 5615 1 757 . 1 1 70 70 LYS HG3 H 1 1.20 0.01 . 2 . . . . . . . . 5615 1 758 . 1 1 70 70 LYS HD2 H 1 0.92 0.01 . 2 . . . . . . . . 5615 1 759 . 1 1 70 70 LYS HD3 H 1 0.73 0.01 . 2 . . . . . . . . 5615 1 760 . 1 1 70 70 LYS C C 13 177.6 0.1 . 1 . . . . . . . . 5615 1 761 . 1 1 70 70 LYS CA C 13 60.0 0.1 . 1 . . . . . . . . 5615 1 762 . 1 1 70 70 LYS CB C 13 32.3 0.1 . 1 . . . . . . . . 5615 1 763 . 1 1 70 70 LYS CG C 13 24.9 0.1 . 1 . . . . . . . . 5615 1 764 . 1 1 70 70 LYS CD C 13 29.9 0.1 . 1 . . . . . . . . 5615 1 765 . 1 1 70 70 LYS CE C 13 40.9 0.1 . 1 . . . . . . . . 5615 1 766 . 1 1 70 70 LYS N N 15 119.8 0.1 . 1 . . . . . . . . 5615 1 767 . 1 1 71 71 LYS H H 1 8.10 0.01 . 1 . . . . . . . . 5615 1 768 . 1 1 71 71 LYS HA H 1 4.03 0.01 . 1 . . . . . . . . 5615 1 769 . 1 1 71 71 LYS HB2 H 1 1.95 0.01 . 1 . . . . . . . . 5615 1 770 . 1 1 71 71 LYS HB3 H 1 1.71 0.01 . 1 . . . . . . . . 5615 1 771 . 1 1 71 71 LYS HG2 H 1 1.54 0.01 . 1 . . . . . . . . 5615 1 772 . 1 1 71 71 LYS HG3 H 1 1.54 0.01 . 1 . . . . . . . . 5615 1 773 . 1 1 71 71 LYS HD2 H 1 1.45 0.01 . 1 . . . . . . . . 5615 1 774 . 1 1 71 71 LYS HD3 H 1 1.45 0.01 . 1 . . . . . . . . 5615 1 775 . 1 1 71 71 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 5615 1 776 . 1 1 71 71 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 5615 1 777 . 1 1 71 71 LYS C C 13 179.0 0.1 . 1 . . . . . . . . 5615 1 778 . 1 1 71 71 LYS CA C 13 59.7 0.1 . 1 . . . . . . . . 5615 1 779 . 1 1 71 71 LYS CB C 13 32.4 0.1 . 1 . . . . . . . . 5615 1 780 . 1 1 71 71 LYS CG C 13 24.9 0.1 . 1 . . . . . . . . 5615 1 781 . 1 1 71 71 LYS CD C 13 29.2 0.1 . 1 . . . . . . . . 5615 1 782 . 1 1 71 71 LYS CE C 13 42.1 0.1 . 1 . . . . . . . . 5615 1 783 . 1 1 71 71 LYS N N 15 118.5 0.1 . 1 . . . . . . . . 5615 1 784 . 1 1 72 72 SER H H 1 8.44 0.01 . 1 . . . . . . . . 5615 1 785 . 1 1 72 72 SER HA H 1 4.19 0.01 . 1 . . . . . . . . 5615 1 786 . 1 1 72 72 SER HB2 H 1 4.04 0.01 . 1 . . . . . . . . 5615 1 787 . 1 1 72 72 SER HB3 H 1 4.04 0.01 . 1 . . . . . . . . 5615 1 788 . 1 1 72 72 SER C C 13 177.4 0.1 . 1 . . . . . . . . 5615 1 789 . 1 1 72 72 SER CA C 13 61.1 0.1 . 1 . . . . . . . . 5615 1 790 . 1 1 72 72 SER CB C 13 62.2 0.1 . 1 . . . . . . . . 5615 1 791 . 1 1 72 72 SER N N 15 115.0 0.1 . 1 . . . . . . . . 5615 1 792 . 1 1 73 73 ALA H H 1 8.12 0.01 . 1 . . . . . . . . 5615 1 793 . 1 1 73 73 ALA HA H 1 3.83 0.01 . 1 . . . . . . . . 5615 1 794 . 1 1 73 73 ALA HB1 H 1 1.49 0.01 . 1 . . . . . . . . 5615 1 795 . 1 1 73 73 ALA HB2 H 1 1.49 0.01 . 1 . . . . . . . . 5615 1 796 . 1 1 73 73 ALA HB3 H 1 1.49 0.01 . 1 . . . . . . . . 5615 1 797 . 1 1 73 73 ALA C C 13 179.1 0.1 . 1 . . . . . . . . 5615 1 798 . 1 1 73 73 ALA CA C 13 55.0 0.1 . 1 . . . . . . . . 5615 1 799 . 1 1 73 73 ALA CB C 13 19.2 0.1 . 1 . . . . . . . . 5615 1 800 . 1 1 73 73 ALA N N 15 122.7 0.1 . 1 . . . . . . . . 5615 1 801 . 1 1 74 74 MET H H 1 8.38 0.01 . 1 . . . . . . . . 5615 1 802 . 1 1 74 74 MET HA H 1 3.59 0.01 . 1 . . . . . . . . 5615 1 803 . 1 1 74 74 MET HB2 H 1 2.13 0.01 . 2 . . . . . . . . 5615 1 804 . 1 1 74 74 MET HB3 H 1 1.97 0.01 . 2 . . . . . . . . 5615 1 805 . 1 1 74 74 MET HG2 H 1 2.83 0.01 . 1 . . . . . . . . 5615 1 806 . 1 1 74 74 MET HG3 H 1 2.83 0.01 . 1 . . . . . . . . 5615 1 807 . 1 1 74 74 MET C C 13 178.8 0.1 . 1 . . . . . . . . 5615 1 808 . 1 1 74 74 MET CA C 13 60.3 0.1 . 1 . . . . . . . . 5615 1 809 . 1 1 74 74 MET CB C 13 33.2 0.1 . 1 . . . . . . . . 5615 1 810 . 1 1 74 74 MET CG C 13 33.2 0.1 . 1 . . . . . . . . 5615 1 811 . 1 1 74 74 MET N N 15 115.3 0.1 . 1 . . . . . . . . 5615 1 812 . 1 1 75 75 MET H H 1 8.12 0.01 . 1 . . . . . . . . 5615 1 813 . 1 1 75 75 MET HA H 1 4.21 0.01 . 1 . . . . . . . . 5615 1 814 . 1 1 75 75 MET HB2 H 1 2.76 0.01 . 2 . . . . . . . . 5615 1 815 . 1 1 75 75 MET HB3 H 1 2.61 0.01 . 2 . . . . . . . . 5615 1 816 . 1 1 75 75 MET HG2 H 1 2.25 0.01 . 1 . . . . . . . . 5615 1 817 . 1 1 75 75 MET HG3 H 1 2.25 0.01 . 1 . . . . . . . . 5615 1 818 . 1 1 75 75 MET C C 13 178.8 0.1 . 1 . . . . . . . . 5615 1 819 . 1 1 75 75 MET CA C 13 58.6 0.1 . 1 . . . . . . . . 5615 1 820 . 1 1 75 75 MET CB C 13 32.2 0.1 . 1 . . . . . . . . 5615 1 821 . 1 1 75 75 MET CG C 13 32.2 0.1 . 1 . . . . . . . . 5615 1 822 . 1 1 75 75 MET N N 15 118.5 0.1 . 1 . . . . . . . . 5615 1 823 . 1 1 76 76 LYS H H 1 7.98 0.01 . 1 . . . . . . . . 5615 1 824 . 1 1 76 76 LYS HA H 1 3.97 0.01 . 1 . . . . . . . . 5615 1 825 . 1 1 76 76 LYS HB2 H 1 1.83 0.01 . 1 . . . . . . . . 5615 1 826 . 1 1 76 76 LYS HB3 H 1 1.83 0.01 . 1 . . . . . . . . 5615 1 827 . 1 1 76 76 LYS HG2 H 1 1.31 0.01 . 1 . . . . . . . . 5615 1 828 . 1 1 76 76 LYS HG3 H 1 1.31 0.01 . 1 . . . . . . . . 5615 1 829 . 1 1 76 76 LYS HD2 H 1 1.31 0.01 . 1 . . . . . . . . 5615 1 830 . 1 1 76 76 LYS HD3 H 1 1.31 0.01 . 1 . . . . . . . . 5615 1 831 . 1 1 76 76 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 5615 1 832 . 1 1 76 76 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 5615 1 833 . 1 1 76 76 LYS C C 13 178.5 0.1 . 1 . . . . . . . . 5615 1 834 . 1 1 76 76 LYS CA C 13 60.0 0.1 . 1 . . . . . . . . 5615 1 835 . 1 1 76 76 LYS CB C 13 32.8 0.1 . 1 . . . . . . . . 5615 1 836 . 1 1 76 76 LYS CG C 13 27.2 0.1 . 1 . . . . . . . . 5615 1 837 . 1 1 76 76 LYS CD C 13 30.5 0.1 . 1 . . . . . . . . 5615 1 838 . 1 1 76 76 LYS CE C 13 42.2 0.1 . 1 . . . . . . . . 5615 1 839 . 1 1 76 76 LYS N N 15 120.9 0.1 . 1 . . . . . . . . 5615 1 840 . 1 1 77 77 LEU H H 1 7.70 0.01 . 1 . . . . . . . . 5615 1 841 . 1 1 77 77 LEU HA H 1 4.11 0.01 . 1 . . . . . . . . 5615 1 842 . 1 1 77 77 LEU HB2 H 1 1.55 0.01 . 1 . . . . . . . . 5615 1 843 . 1 1 77 77 LEU HB3 H 1 1.55 0.01 . 1 . . . . . . . . 5615 1 844 . 1 1 77 77 LEU HG H 1 1.09 0.01 . 1 . . . . . . . . 5615 1 845 . 1 1 77 77 LEU HD11 H 1 0.56 0.01 . 1 . . . . . . . . 5615 1 846 . 1 1 77 77 LEU HD12 H 1 0.56 0.01 . 1 . . . . . . . . 5615 1 847 . 1 1 77 77 LEU HD13 H 1 0.56 0.01 . 1 . . . . . . . . 5615 1 848 . 1 1 77 77 LEU HD21 H 1 0.65 0.01 . 1 . . . . . . . . 5615 1 849 . 1 1 77 77 LEU HD22 H 1 0.65 0.01 . 1 . . . . . . . . 5615 1 850 . 1 1 77 77 LEU HD23 H 1 0.65 0.01 . 1 . . . . . . . . 5615 1 851 . 1 1 77 77 LEU C C 13 177.0 0.1 . 1 . . . . . . . . 5615 1 852 . 1 1 77 77 LEU CA C 13 55.0 0.1 . 1 . . . . . . . . 5615 1 853 . 1 1 77 77 LEU CB C 13 42.7 0.1 . 1 . . . . . . . . 5615 1 854 . 1 1 77 77 LEU CD1 C 13 25.5 0.1 . 1 . . . . . . . . 5615 1 855 . 1 1 77 77 LEU CD2 C 13 22.0 0.1 . 1 . . . . . . . . 5615 1 856 . 1 1 77 77 LEU N N 15 116.3 0.1 . 1 . . . . . . . . 5615 1 857 . 1 1 78 78 GLY H H 1 7.84 0.01 . 1 . . . . . . . . 5615 1 858 . 1 1 78 78 GLY HA2 H 1 3.97 0.01 . 1 . . . . . . . . 5615 1 859 . 1 1 78 78 GLY HA3 H 1 3.85 0.01 . 1 . . . . . . . . 5615 1 860 . 1 1 78 78 GLY C C 13 174.8 0.1 . 1 . . . . . . . . 5615 1 861 . 1 1 78 78 GLY CA C 13 46.3 0.1 . 1 . . . . . . . . 5615 1 862 . 1 1 78 78 GLY N N 15 107.8 0.1 . 1 . . . . . . . . 5615 1 863 . 1 1 79 79 VAL H H 1 7.75 0.01 . 1 . . . . . . . . 5615 1 864 . 1 1 79 79 VAL HA H 1 4.68 0.01 . 1 . . . . . . . . 5615 1 865 . 1 1 79 79 VAL HB H 1 1.99 0.01 . 1 . . . . . . . . 5615 1 866 . 1 1 79 79 VAL HG11 H 1 0.78 0.01 . 1 . . . . . . . . 5615 1 867 . 1 1 79 79 VAL HG12 H 1 0.78 0.01 . 1 . . . . . . . . 5615 1 868 . 1 1 79 79 VAL HG13 H 1 0.78 0.01 . 1 . . . . . . . . 5615 1 869 . 1 1 79 79 VAL HG21 H 1 0.77 0.01 . 1 . . . . . . . . 5615 1 870 . 1 1 79 79 VAL HG22 H 1 0.77 0.01 . 1 . . . . . . . . 5615 1 871 . 1 1 79 79 VAL HG23 H 1 0.77 0.01 . 1 . . . . . . . . 5615 1 872 . 1 1 79 79 VAL C C 13 176.0 0.1 . 1 . . . . . . . . 5615 1 873 . 1 1 79 79 VAL CA C 13 59.0 0.1 . 1 . . . . . . . . 5615 1 874 . 1 1 79 79 VAL CB C 13 34.2 0.1 . 1 . . . . . . . . 5615 1 875 . 1 1 79 79 VAL CG1 C 13 21.8 0.1 . 1 . . . . . . . . 5615 1 876 . 1 1 79 79 VAL CG2 C 13 19.7 0.1 . 1 . . . . . . . . 5615 1 877 . 1 1 79 79 VAL N N 15 112.0 0.1 . 1 . . . . . . . . 5615 1 878 . 1 1 80 80 ASP H H 1 8.64 0.01 . 1 . . . . . . . . 5615 1 879 . 1 1 80 80 ASP HA H 1 4.66 0.01 . 1 . . . . . . . . 5615 1 880 . 1 1 80 80 ASP HB2 H 1 2.79 0.01 . 2 . . . . . . . . 5615 1 881 . 1 1 80 80 ASP HB3 H 1 2.55 0.01 . 2 . . . . . . . . 5615 1 882 . 1 1 80 80 ASP C C 13 175.7 0.1 . 1 . . . . . . . . 5615 1 883 . 1 1 80 80 ASP CA C 13 54.1 0.1 . 1 . . . . . . . . 5615 1 884 . 1 1 80 80 ASP CB C 13 42.3 0.1 . 1 . . . . . . . . 5615 1 885 . 1 1 80 80 ASP N N 15 119.2 0.1 . 1 . . . . . . . . 5615 1 886 . 1 1 81 81 ASN H H 1 8.30 0.01 . 1 . . . . . . . . 5615 1 887 . 1 1 81 81 ASN HB2 H 1 2.99 0.01 . 1 . . . . . . . . 5615 1 888 . 1 1 81 81 ASN HB3 H 1 2.90 0.01 . 1 . . . . . . . . 5615 1 889 . 1 1 81 81 ASN HD21 H 1 7.88 0.01 . 2 . . . . . . . . 5615 1 890 . 1 1 81 81 ASN HD22 H 1 6.97 0.01 . 2 . . . . . . . . 5615 1 891 . 1 1 81 81 ASN N N 15 117.4 0.1 . 1 . . . . . . . . 5615 1 892 . 1 1 81 81 ASN ND2 N 15 116.9 0.1 . 1 . . . . . . . . 5615 1 893 . 1 1 82 82 ASP HA H 1 4.20 0.01 . 1 . . . . . . . . 5615 1 894 . 1 1 82 82 ASP HB2 H 1 2.83 0.01 . 2 . . . . . . . . 5615 1 895 . 1 1 82 82 ASP HB3 H 1 2.75 0.01 . 2 . . . . . . . . 5615 1 896 . 1 1 82 82 ASP C C 13 177.7 0.1 . 1 . . . . . . . . 5615 1 897 . 1 1 82 82 ASP CA C 13 55.3 0.1 . 1 . . . . . . . . 5615 1 898 . 1 1 82 82 ASP CB C 13 40.6 0.1 . 1 . . . . . . . . 5615 1 899 . 1 1 83 83 ILE H H 1 8.15 0.01 . 1 . . . . . . . . 5615 1 900 . 1 1 83 83 ILE HA H 1 3.83 0.01 . 1 . . . . . . . . 5615 1 901 . 1 1 83 83 ILE HB H 1 1.97 0.01 . 1 . . . . . . . . 5615 1 902 . 1 1 83 83 ILE HG12 H 1 1.65 0.01 . 2 . . . . . . . . 5615 1 903 . 1 1 83 83 ILE HG13 H 1 1.28 0.01 . 2 . . . . . . . . 5615 1 904 . 1 1 83 83 ILE HG21 H 1 1.28 0.01 . 1 . . . . . . . . 5615 1 905 . 1 1 83 83 ILE HG22 H 1 1.28 0.01 . 1 . . . . . . . . 5615 1 906 . 1 1 83 83 ILE HG23 H 1 1.28 0.01 . 1 . . . . . . . . 5615 1 907 . 1 1 83 83 ILE HD11 H 1 0.94 0.01 . 1 . . . . . . . . 5615 1 908 . 1 1 83 83 ILE HD12 H 1 0.94 0.01 . 1 . . . . . . . . 5615 1 909 . 1 1 83 83 ILE HD13 H 1 0.94 0.01 . 1 . . . . . . . . 5615 1 910 . 1 1 83 83 ILE C C 13 178.4 0.1 . 1 . . . . . . . . 5615 1 911 . 1 1 83 83 ILE CA C 13 64.4 0.1 . 1 . . . . . . . . 5615 1 912 . 1 1 83 83 ILE CB C 13 37.6 0.1 . 1 . . . . . . . . 5615 1 913 . 1 1 83 83 ILE CG1 C 13 28.9 0.1 . 1 . . . . . . . . 5615 1 914 . 1 1 83 83 ILE CG2 C 13 17.2 0.1 . 1 . . . . . . . . 5615 1 915 . 1 1 83 83 ILE CD1 C 13 12.5 0.1 . 1 . . . . . . . . 5615 1 916 . 1 1 83 83 ILE N N 15 122.7 0.1 . 1 . . . . . . . . 5615 1 917 . 1 1 84 84 ALA H H 1 8.31 0.01 . 1 . . . . . . . . 5615 1 918 . 1 1 84 84 ALA HA H 1 4.28 0.01 . 1 . . . . . . . . 5615 1 919 . 1 1 84 84 ALA HB1 H 1 1.57 0.01 . 1 . . . . . . . . 5615 1 920 . 1 1 84 84 ALA HB2 H 1 1.57 0.01 . 1 . . . . . . . . 5615 1 921 . 1 1 84 84 ALA HB3 H 1 1.57 0.01 . 1 . . . . . . . . 5615 1 922 . 1 1 84 84 ALA C C 13 181.3 0.1 . 1 . . . . . . . . 5615 1 923 . 1 1 84 84 ALA CA C 13 54.8 0.1 . 1 . . . . . . . . 5615 1 924 . 1 1 84 84 ALA CB C 13 18.8 0.1 . 1 . . . . . . . . 5615 1 925 . 1 1 84 84 ALA N N 15 122.9 0.1 . 1 . . . . . . . . 5615 1 926 . 1 1 85 85 LEU H H 1 8.24 0.01 . 1 . . . . . . . . 5615 1 927 . 1 1 85 85 LEU HA H 1 4.18 0.01 . 1 . . . . . . . . 5615 1 928 . 1 1 85 85 LEU HB2 H 1 2.30 0.01 . 2 . . . . . . . . 5615 1 929 . 1 1 85 85 LEU HB3 H 1 1.47 0.01 . 2 . . . . . . . . 5615 1 930 . 1 1 85 85 LEU HG H 1 1.47 0.01 . 1 . . . . . . . . 5615 1 931 . 1 1 85 85 LEU HD11 H 1 0.68 0.01 . 1 . . . . . . . . 5615 1 932 . 1 1 85 85 LEU HD12 H 1 0.68 0.01 . 1 . . . . . . . . 5615 1 933 . 1 1 85 85 LEU HD13 H 1 0.68 0.01 . 1 . . . . . . . . 5615 1 934 . 1 1 85 85 LEU HD21 H 1 0.90 0.01 . 1 . . . . . . . . 5615 1 935 . 1 1 85 85 LEU HD22 H 1 0.90 0.01 . 1 . . . . . . . . 5615 1 936 . 1 1 85 85 LEU HD23 H 1 0.90 0.01 . 1 . . . . . . . . 5615 1 937 . 1 1 85 85 LEU C C 13 177.4 0.1 . 1 . . . . . . . . 5615 1 938 . 1 1 85 85 LEU CA C 13 58.4 0.1 . 1 . . . . . . . . 5615 1 939 . 1 1 85 85 LEU CB C 13 41.6 0.1 . 1 . . . . . . . . 5615 1 940 . 1 1 85 85 LEU CD1 C 13 25.7 0.1 . 1 . . . . . . . . 5615 1 941 . 1 1 85 85 LEU CD2 C 13 23.0 0.1 . 1 . . . . . . . . 5615 1 942 . 1 1 85 85 LEU N N 15 120.0 0.1 . 1 . . . . . . . . 5615 1 943 . 1 1 86 86 LEU H H 1 8.54 0.01 . 1 . . . . . . . . 5615 1 944 . 1 1 86 86 LEU HA H 1 4.14 0.01 . 1 . . . . . . . . 5615 1 945 . 1 1 86 86 LEU HB2 H 1 1.92 0.01 . 2 . . . . . . . . 5615 1 946 . 1 1 86 86 LEU HB3 H 1 1.66 0.01 . 2 . . . . . . . . 5615 1 947 . 1 1 86 86 LEU HG H 1 1.66 0.01 . 1 . . . . . . . . 5615 1 948 . 1 1 86 86 LEU HD11 H 1 0.88 0.01 . 2 . . . . . . . . 5615 1 949 . 1 1 86 86 LEU HD12 H 1 0.88 0.01 . 2 . . . . . . . . 5615 1 950 . 1 1 86 86 LEU HD13 H 1 0.88 0.01 . 2 . . . . . . . . 5615 1 951 . 1 1 86 86 LEU HD21 H 1 0.84 0.01 . 2 . . . . . . . . 5615 1 952 . 1 1 86 86 LEU HD22 H 1 0.84 0.01 . 2 . . . . . . . . 5615 1 953 . 1 1 86 86 LEU HD23 H 1 0.84 0.01 . 2 . . . . . . . . 5615 1 954 . 1 1 86 86 LEU C C 13 180.1 0.1 . 1 . . . . . . . . 5615 1 955 . 1 1 86 86 LEU CA C 13 58.2 0.1 . 1 . . . . . . . . 5615 1 956 . 1 1 86 86 LEU CB C 13 41.1 0.1 . 1 . . . . . . . . 5615 1 957 . 1 1 86 86 LEU CG C 13 25.0 0.1 . 1 . . . . . . . . 5615 1 958 . 1 1 86 86 LEU CD1 C 13 25.0 0.1 . 1 . . . . . . . . 5615 1 959 . 1 1 86 86 LEU CD2 C 13 23.5 0.1 . 1 . . . . . . . . 5615 1 960 . 1 1 86 86 LEU N N 15 120.1 0.1 . 1 . . . . . . . . 5615 1 961 . 1 1 87 87 ASN H H 1 8.57 0.01 . 1 . . . . . . . . 5615 1 962 . 1 1 87 87 ASN HA H 1 4.51 0.01 . 1 . . . . . . . . 5615 1 963 . 1 1 87 87 ASN HB2 H 1 2.90 0.01 . 1 . . . . . . . . 5615 1 964 . 1 1 87 87 ASN HB3 H 1 2.90 0.01 . 1 . . . . . . . . 5615 1 965 . 1 1 87 87 ASN HD21 H 1 7.73 0.01 . 2 . . . . . . . . 5615 1 966 . 1 1 87 87 ASN HD22 H 1 6.99 0.01 . 2 . . . . . . . . 5615 1 967 . 1 1 87 87 ASN C C 13 177.8 0.1 . 1 . . . . . . . . 5615 1 968 . 1 1 87 87 ASN CA C 13 56.0 0.1 . 1 . . . . . . . . 5615 1 969 . 1 1 87 87 ASN CB C 13 38.2 0.1 . 1 . . . . . . . . 5615 1 970 . 1 1 87 87 ASN N N 15 118.8 0.1 . 1 . . . . . . . . 5615 1 971 . 1 1 87 87 ASN ND2 N 15 112.1 0.1 . 1 . . . . . . . . 5615 1 972 . 1 1 88 88 TYR H H 1 8.33 0.01 . 1 . . . . . . . . 5615 1 973 . 1 1 88 88 TYR HA H 1 4.25 0.01 . 1 . . . . . . . . 5615 1 974 . 1 1 88 88 TYR HB2 H 1 3.33 0.01 . 1 . . . . . . . . 5615 1 975 . 1 1 88 88 TYR HB3 H 1 3.23 0.01 . 1 . . . . . . . . 5615 1 976 . 1 1 88 88 TYR HD1 H 1 6.97 0.01 . 1 . . . . . . . . 5615 1 977 . 1 1 88 88 TYR HD2 H 1 6.97 0.01 . 1 . . . . . . . . 5615 1 978 . 1 1 88 88 TYR HE1 H 1 6.74 0.01 . 1 . . . . . . . . 5615 1 979 . 1 1 88 88 TYR HE2 H 1 6.74 0.01 . 1 . . . . . . . . 5615 1 980 . 1 1 88 88 TYR C C 13 178.2 0.1 . 1 . . . . . . . . 5615 1 981 . 1 1 88 88 TYR CA C 13 61.4 0.1 . 1 . . . . . . . . 5615 1 982 . 1 1 88 88 TYR CB C 13 38.3 0.1 . 1 . . . . . . . . 5615 1 983 . 1 1 88 88 TYR N N 15 122.8 0.1 . 1 . . . . . . . . 5615 1 984 . 1 1 89 89 LEU H H 1 8.55 0.01 . 1 . . . . . . . . 5615 1 985 . 1 1 89 89 LEU HA H 1 3.97 0.01 . 1 . . . . . . . . 5615 1 986 . 1 1 89 89 LEU HB2 H 1 1.99 0.01 . 2 . . . . . . . . 5615 1 987 . 1 1 89 89 LEU HB3 H 1 1.52 0.01 . 2 . . . . . . . . 5615 1 988 . 1 1 89 89 LEU HG H 1 1.99 0.01 . 1 . . . . . . . . 5615 1 989 . 1 1 89 89 LEU HD11 H 1 0.90 0.01 . 2 . . . . . . . . 5615 1 990 . 1 1 89 89 LEU HD12 H 1 0.90 0.01 . 2 . . . . . . . . 5615 1 991 . 1 1 89 89 LEU HD13 H 1 0.90 0.01 . 2 . . . . . . . . 5615 1 992 . 1 1 89 89 LEU HD21 H 1 0.91 0.01 . 2 . . . . . . . . 5615 1 993 . 1 1 89 89 LEU HD22 H 1 0.91 0.01 . 2 . . . . . . . . 5615 1 994 . 1 1 89 89 LEU HD23 H 1 0.91 0.01 . 2 . . . . . . . . 5615 1 995 . 1 1 89 89 LEU C C 13 178.4 0.1 . 1 . . . . . . . . 5615 1 996 . 1 1 89 89 LEU CA C 13 57.2 0.1 . 1 . . . . . . . . 5615 1 997 . 1 1 89 89 LEU CB C 13 41.4 0.1 . 1 . . . . . . . . 5615 1 998 . 1 1 89 89 LEU CG C 13 26.5 0.1 . 1 . . . . . . . . 5615 1 999 . 1 1 89 89 LEU CD1 C 13 26.5 0.1 . 1 . . . . . . . . 5615 1 1000 . 1 1 89 89 LEU CD2 C 13 22.3 0.1 . 1 . . . . . . . . 5615 1 1001 . 1 1 89 89 LEU N N 15 118.4 0.1 . 1 . . . . . . . . 5615 1 1002 . 1 1 90 90 SER H H 1 8.04 0.01 . 1 . . . . . . . . 5615 1 1003 . 1 1 90 90 SER HA H 1 4.38 0.01 . 1 . . . . . . . . 5615 1 1004 . 1 1 90 90 SER HB2 H 1 4.02 0.01 . 1 . . . . . . . . 5615 1 1005 . 1 1 90 90 SER HB3 H 1 4.02 0.01 . 1 . . . . . . . . 5615 1 1006 . 1 1 90 90 SER C C 13 175.4 0.1 . 1 . . . . . . . . 5615 1 1007 . 1 1 90 90 SER CA C 13 60.2 0.1 . 1 . . . . . . . . 5615 1 1008 . 1 1 90 90 SER CB C 13 63.6 0.1 . 1 . . . . . . . . 5615 1 1009 . 1 1 90 90 SER N N 15 112.8 0.1 . 1 . . . . . . . . 5615 1 1010 . 1 1 91 91 SER H H 1 7.83 0.01 . 1 . . . . . . . . 5615 1 1011 . 1 1 91 91 SER HA H 1 4.40 0.01 . 1 . . . . . . . . 5615 1 1012 . 1 1 91 91 SER HB2 H 1 3.95 0.01 . 1 . . . . . . . . 5615 1 1013 . 1 1 91 91 SER HB3 H 1 3.95 0.01 . 1 . . . . . . . . 5615 1 1014 . 1 1 91 91 SER C C 13 175.1 0.1 . 1 . . . . . . . . 5615 1 1015 . 1 1 91 91 SER CA C 13 59.9 0.1 . 1 . . . . . . . . 5615 1 1016 . 1 1 91 91 SER CB C 13 63.8 0.1 . 1 . . . . . . . . 5615 1 1017 . 1 1 91 91 SER N N 15 116.9 0.1 . 1 . . . . . . . . 5615 1 1018 . 1 1 92 92 VAL H H 1 7.70 0.01 . 1 . . . . . . . . 5615 1 1019 . 1 1 92 92 VAL HA H 1 4.12 0.01 . 1 . . . . . . . . 5615 1 1020 . 1 1 92 92 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 5615 1 1021 . 1 1 92 92 VAL HG11 H 1 0.81 0.01 . 1 . . . . . . . . 5615 1 1022 . 1 1 92 92 VAL HG12 H 1 0.81 0.01 . 1 . . . . . . . . 5615 1 1023 . 1 1 92 92 VAL HG13 H 1 0.81 0.01 . 1 . . . . . . . . 5615 1 1024 . 1 1 92 92 VAL HG21 H 1 0.79 0.01 . 1 . . . . . . . . 5615 1 1025 . 1 1 92 92 VAL HG22 H 1 0.79 0.01 . 1 . . . . . . . . 5615 1 1026 . 1 1 92 92 VAL HG23 H 1 0.79 0.01 . 1 . . . . . . . . 5615 1 1027 . 1 1 92 92 VAL C C 13 176.2 0.1 . 1 . . . . . . . . 5615 1 1028 . 1 1 92 92 VAL CA C 13 62.7 0.1 . 1 . . . . . . . . 5615 1 1029 . 1 1 92 92 VAL CB C 13 32.1 0.1 . 1 . . . . . . . . 5615 1 1030 . 1 1 92 92 VAL CG1 C 13 21.3 0.1 . 1 . . . . . . . . 5615 1 1031 . 1 1 92 92 VAL CG2 C 13 20.6 0.1 . 1 . . . . . . . . 5615 1 1032 . 1 1 92 92 VAL N N 15 119.6 0.1 . 1 . . . . . . . . 5615 1 1033 . 1 1 93 93 SER H H 1 8.09 0.01 . 1 . . . . . . . . 5615 1 1034 . 1 1 93 93 SER HA H 1 4.42 0.01 . 1 . . . . . . . . 5615 1 1035 . 1 1 93 93 SER HB2 H 1 3.81 0.01 . 1 . . . . . . . . 5615 1 1036 . 1 1 93 93 SER HB3 H 1 3.81 0.01 . 1 . . . . . . . . 5615 1 1037 . 1 1 93 93 SER C C 13 174.6 0.1 . 1 . . . . . . . . 5615 1 1038 . 1 1 93 93 SER CA C 13 58.7 0.1 . 1 . . . . . . . . 5615 1 1039 . 1 1 93 93 SER CB C 13 63.9 0.1 . 1 . . . . . . . . 5615 1 1040 . 1 1 93 93 SER N N 15 117.4 0.1 . 1 . . . . . . . . 5615 1 1041 . 1 1 94 94 MET H H 1 8.31 0.01 . 1 . . . . . . . . 5615 1 1042 . 1 1 94 94 MET HA H 1 4.57 0.01 . 1 . . . . . . . . 5615 1 1043 . 1 1 94 94 MET HB2 H 1 2.13 0.01 . 2 . . . . . . . . 5615 1 1044 . 1 1 94 94 MET HB3 H 1 2.02 0.01 . 2 . . . . . . . . 5615 1 1045 . 1 1 94 94 MET HG2 H 1 2.63 0.01 . 2 . . . . . . . . 5615 1 1046 . 1 1 94 94 MET HG3 H 1 2.52 0.01 . 2 . . . . . . . . 5615 1 1047 . 1 1 94 94 MET C C 13 176.1 0.1 . 1 . . . . . . . . 5615 1 1048 . 1 1 94 94 MET CA C 13 55.3 0.1 . 1 . . . . . . . . 5615 1 1049 . 1 1 94 94 MET CB C 13 32.8 0.1 . 1 . . . . . . . . 5615 1 1050 . 1 1 94 94 MET CG C 13 32.1 0.1 . 1 . . . . . . . . 5615 1 1051 . 1 1 94 94 MET N N 15 122.0 0.1 . 1 . . . . . . . . 5615 1 1052 . 1 1 95 95 THR H H 1 8.19 0.01 . 1 . . . . . . . . 5615 1 1053 . 1 1 95 95 THR HA H 1 4.14 0.01 . 1 . . . . . . . . 5615 1 1054 . 1 1 95 95 THR CA C 13 60.2 0.1 . 1 . . . . . . . . 5615 1 1055 . 1 1 95 95 THR CB C 13 69.8 0.1 . 1 . . . . . . . . 5615 1 1056 . 1 1 95 95 THR N N 15 118.1 0.1 . 1 . . . . . . . . 5615 1 1057 . 1 1 96 96 PRO HA H 1 4.50 0.01 . 1 . . . . . . . . 5615 1 1058 . 1 1 96 96 PRO HB2 H 1 2.31 0.01 . 2 . . . . . . . . 5615 1 1059 . 1 1 96 96 PRO HB3 H 1 1.94 0.01 . 2 . . . . . . . . 5615 1 1060 . 1 1 96 96 PRO HG2 H 1 2.06 0.01 . 1 . . . . . . . . 5615 1 1061 . 1 1 96 96 PRO HG3 H 1 2.06 0.01 . 1 . . . . . . . . 5615 1 1062 . 1 1 96 96 PRO HD2 H 1 3.88 0.01 . 2 . . . . . . . . 5615 1 1063 . 1 1 96 96 PRO HD3 H 1 3.71 0.01 . 2 . . . . . . . . 5615 1 1064 . 1 1 96 96 PRO C C 13 176.8 0.1 . 1 . . . . . . . . 5615 1 1065 . 1 1 96 96 PRO CA C 13 63.2 0.1 . 1 . . . . . . . . 5615 1 1066 . 1 1 96 96 PRO CB C 13 32.1 0.1 . 1 . . . . . . . . 5615 1 1067 . 1 1 96 96 PRO CG C 13 27.5 0.1 . 1 . . . . . . . . 5615 1 1068 . 1 1 96 96 PRO CD C 13 51.1 0.1 . 1 . . . . . . . . 5615 1 1069 . 1 1 97 97 VAL H H 1 8.32 0.01 . 1 . . . . . . . . 5615 1 1070 . 1 1 97 97 VAL HA H 1 4.14 0.01 . 1 . . . . . . . . 5615 1 1071 . 1 1 97 97 VAL HB H 1 2.10 0.01 . 1 . . . . . . . . 5615 1 1072 . 1 1 97 97 VAL HG11 H 1 0.97 0.01 . 2 . . . . . . . . 5615 1 1073 . 1 1 97 97 VAL HG12 H 1 0.97 0.01 . 2 . . . . . . . . 5615 1 1074 . 1 1 97 97 VAL HG13 H 1 0.97 0.01 . 2 . . . . . . . . 5615 1 1075 . 1 1 97 97 VAL HG21 H 1 0.96 0.01 . 2 . . . . . . . . 5615 1 1076 . 1 1 97 97 VAL HG22 H 1 0.96 0.01 . 2 . . . . . . . . 5615 1 1077 . 1 1 97 97 VAL HG23 H 1 0.96 0.01 . 2 . . . . . . . . 5615 1 1078 . 1 1 97 97 VAL C C 13 175.8 0.1 . 1 . . . . . . . . 5615 1 1079 . 1 1 97 97 VAL CA C 13 62.1 0.1 . 1 . . . . . . . . 5615 1 1080 . 1 1 97 97 VAL CB C 13 32.8 0.1 . 1 . . . . . . . . 5615 1 1081 . 1 1 97 97 VAL CG1 C 13 21.2 0.1 . 1 . . . . . . . . 5615 1 1082 . 1 1 97 97 VAL CG2 C 13 20.5 0.1 . 1 . . . . . . . . 5615 1 1083 . 1 1 97 97 VAL N N 15 120.1 0.1 . 1 . . . . . . . . 5615 1 1084 . 1 1 98 98 ASP H H 1 8.46 0.01 . 1 . . . . . . . . 5615 1 1085 . 1 1 98 98 ASP HA H 1 4.64 0.01 . 1 . . . . . . . . 5615 1 1086 . 1 1 98 98 ASP HB2 H 1 2.71 0.01 . 2 . . . . . . . . 5615 1 1087 . 1 1 98 98 ASP HB3 H 1 2.63 0.01 . 2 . . . . . . . . 5615 1 1088 . 1 1 98 98 ASP C C 13 175.0 0.1 . 1 . . . . . . . . 5615 1 1089 . 1 1 98 98 ASP CA C 13 54.4 0.1 . 1 . . . . . . . . 5615 1 1090 . 1 1 98 98 ASP CB C 13 41.2 0.1 . 1 . . . . . . . . 5615 1 1091 . 1 1 98 98 ASP N N 15 124.3 0.1 . 1 . . . . . . . . 5615 1 1092 . 1 1 99 99 LYS H H 1 7.89 0.01 . 1 . . . . . . . . 5615 1 1093 . 1 1 99 99 LYS HA H 1 4.16 0.01 . 1 . . . . . . . . 5615 1 1094 . 1 1 99 99 LYS HB2 H 1 1.80 0.01 . 2 . . . . . . . . 5615 1 1095 . 1 1 99 99 LYS HB3 H 1 1.69 0.01 . 2 . . . . . . . . 5615 1 1096 . 1 1 99 99 LYS C C 13 181.2 0.1 . 1 . . . . . . . . 5615 1 1097 . 1 1 99 99 LYS CA C 13 57.7 0.1 . 1 . . . . . . . . 5615 1 1098 . 1 1 99 99 LYS CB C 13 33.8 0.1 . 1 . . . . . . . . 5615 1 1099 . 1 1 99 99 LYS N N 15 126.4 0.1 . 1 . . . . . . . . 5615 1 stop_ save_