data_5538 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5538 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for a PWWP domain from Sch. pombe ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-09-25 _Entry.Accession_date 2002-09-25 _Entry.Last_release_date 2003-08-01 _Entry.Original_release_date 2003-08-01 _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 Leanne Slater . M. . 5538 2 Mark Allen . D. . 5538 3 Mark Bycroft . . . 5538 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5538 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 787 5538 '13C chemical shifts' 364 5538 '15N chemical shifts' 104 5538 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 . . 2003-08-01 2002-09-25 original author . 5538 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5538 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22727213 _Citation.DOI . _Citation.PubMed_ID 12842472 _Citation.Full_citation . _Citation.Title 'Structural Variation in PWWP Domains' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 330 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 571 _Citation.Page_last 576 _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 Leanne Slater . M. . 5538 1 2 Mark Allen . D. . 5538 1 3 Mark Bycroft . . . 5538 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID PWWP 5538 1 chromatin 5538 1 beta-barrel 5538 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PWWP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PWWP _Assembly.Entry_ID 5538 _Assembly.ID 1 _Assembly.Name 'PWWP domain' _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 monomeric 5538 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 'PWWP domain' 1 $PWWP_domain . . . native . . . . . 5538 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1H3Z . . . . . ; Residues 1 of the NMR data corresponds to a non-native residue. Residue 2 (ser) of the NMR data corresponds to residue 118 of the PDB structure 1H3Z ; 5538 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'PWWP domain' system 5538 1 PWWP abbreviation 5538 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PWWP_domain _Entity.Sf_category entity _Entity.Sf_framecode PWWP_domain _Entity.Entry_ID 5538 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PWWP domain' _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 ; GSERVNYKPGMRVLTKMSGF PWWPSMVVTESKMTSVARKS KPKRAGTFYPVIFFPNKEYL WTGSDSLTPLTSEAISQFLE KPKPKTASLIKAYKMAQSTP DLDSLSVPS ; _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 109 _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 12194 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1H3Z . "Solution Structure Of A Pwwp Domain From Schizosaccharomyces Pombe" . . . . . 100.00 109 100.00 100.00 4.89e-71 . . . . 5538 1 2 no EMBL CAA22121 . "PWWP domain protein (predicted) [Schizosaccharomyces pombe]" . . . . . 99.08 568 100.00 100.00 4.52e-70 . . . . 5538 1 3 no REF NP_596684 . "PWWP domain protein (predicted) [Schizosaccharomyces pombe 972h-]" . . . . . 99.08 568 100.00 100.00 4.52e-70 . . . . 5538 1 4 no SP O94312 . "RecName: Full=PWWP domain-containing protein2 [Schizosaccharomyces pombe 972h-]" . . . . . 99.08 568 100.00 100.00 4.52e-70 . . . . 5538 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PWWP domain' common 5538 1 PWWP abbreviation 5538 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 GLY . 5538 1 2 1 SER . 5538 1 3 2 GLU . 5538 1 4 3 ARG . 5538 1 5 4 VAL . 5538 1 6 5 ASN . 5538 1 7 6 TYR . 5538 1 8 7 LYS . 5538 1 9 8 PRO . 5538 1 10 9 GLY . 5538 1 11 10 MET . 5538 1 12 11 ARG . 5538 1 13 12 VAL . 5538 1 14 13 LEU . 5538 1 15 14 THR . 5538 1 16 15 LYS . 5538 1 17 16 MET . 5538 1 18 17 SER . 5538 1 19 18 GLY . 5538 1 20 19 PHE . 5538 1 21 20 PRO . 5538 1 22 21 TRP . 5538 1 23 22 TRP . 5538 1 24 23 PRO . 5538 1 25 24 SER . 5538 1 26 25 MET . 5538 1 27 26 VAL . 5538 1 28 27 VAL . 5538 1 29 28 THR . 5538 1 30 29 GLU . 5538 1 31 30 SER . 5538 1 32 31 LYS . 5538 1 33 32 MET . 5538 1 34 33 THR . 5538 1 35 34 SER . 5538 1 36 35 VAL . 5538 1 37 36 ALA . 5538 1 38 37 ARG . 5538 1 39 38 LYS . 5538 1 40 39 SER . 5538 1 41 40 LYS . 5538 1 42 41 PRO . 5538 1 43 42 LYS . 5538 1 44 43 ARG . 5538 1 45 44 ALA . 5538 1 46 45 GLY . 5538 1 47 46 THR . 5538 1 48 47 PHE . 5538 1 49 48 TYR . 5538 1 50 49 PRO . 5538 1 51 50 VAL . 5538 1 52 51 ILE . 5538 1 53 52 PHE . 5538 1 54 53 PHE . 5538 1 55 54 PRO . 5538 1 56 55 ASN . 5538 1 57 56 LYS . 5538 1 58 57 GLU . 5538 1 59 58 TYR . 5538 1 60 59 LEU . 5538 1 61 60 TRP . 5538 1 62 61 THR . 5538 1 63 62 GLY . 5538 1 64 63 SER . 5538 1 65 64 ASP . 5538 1 66 65 SER . 5538 1 67 66 LEU . 5538 1 68 67 THR . 5538 1 69 68 PRO . 5538 1 70 69 LEU . 5538 1 71 70 THR . 5538 1 72 71 SER . 5538 1 73 72 GLU . 5538 1 74 73 ALA . 5538 1 75 74 ILE . 5538 1 76 75 SER . 5538 1 77 76 GLN . 5538 1 78 77 PHE . 5538 1 79 78 LEU . 5538 1 80 79 GLU . 5538 1 81 80 LYS . 5538 1 82 81 PRO . 5538 1 83 82 LYS . 5538 1 84 83 PRO . 5538 1 85 84 LYS . 5538 1 86 85 THR . 5538 1 87 86 ALA . 5538 1 88 87 SER . 5538 1 89 88 LEU . 5538 1 90 89 ILE . 5538 1 91 90 LYS . 5538 1 92 91 ALA . 5538 1 93 92 TYR . 5538 1 94 93 LYS . 5538 1 95 94 MET . 5538 1 96 95 ALA . 5538 1 97 96 GLN . 5538 1 98 97 SER . 5538 1 99 98 THR . 5538 1 100 99 PRO . 5538 1 101 100 ASP . 5538 1 102 101 LEU . 5538 1 103 102 ASP . 5538 1 104 103 SER . 5538 1 105 104 LEU . 5538 1 106 105 SER . 5538 1 107 106 VAL . 5538 1 108 107 PRO . 5538 1 109 108 SER . 5538 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 . GLY 1 1 5538 1 . SER 2 2 5538 1 . GLU 3 3 5538 1 . ARG 4 4 5538 1 . VAL 5 5 5538 1 . ASN 6 6 5538 1 . TYR 7 7 5538 1 . LYS 8 8 5538 1 . PRO 9 9 5538 1 . GLY 10 10 5538 1 . MET 11 11 5538 1 . ARG 12 12 5538 1 . VAL 13 13 5538 1 . LEU 14 14 5538 1 . THR 15 15 5538 1 . LYS 16 16 5538 1 . MET 17 17 5538 1 . SER 18 18 5538 1 . GLY 19 19 5538 1 . PHE 20 20 5538 1 . PRO 21 21 5538 1 . TRP 22 22 5538 1 . TRP 23 23 5538 1 . PRO 24 24 5538 1 . SER 25 25 5538 1 . MET 26 26 5538 1 . VAL 27 27 5538 1 . VAL 28 28 5538 1 . THR 29 29 5538 1 . GLU 30 30 5538 1 . SER 31 31 5538 1 . LYS 32 32 5538 1 . MET 33 33 5538 1 . THR 34 34 5538 1 . SER 35 35 5538 1 . VAL 36 36 5538 1 . ALA 37 37 5538 1 . ARG 38 38 5538 1 . LYS 39 39 5538 1 . SER 40 40 5538 1 . LYS 41 41 5538 1 . PRO 42 42 5538 1 . LYS 43 43 5538 1 . ARG 44 44 5538 1 . ALA 45 45 5538 1 . GLY 46 46 5538 1 . THR 47 47 5538 1 . PHE 48 48 5538 1 . TYR 49 49 5538 1 . PRO 50 50 5538 1 . VAL 51 51 5538 1 . ILE 52 52 5538 1 . PHE 53 53 5538 1 . PHE 54 54 5538 1 . PRO 55 55 5538 1 . ASN 56 56 5538 1 . LYS 57 57 5538 1 . GLU 58 58 5538 1 . TYR 59 59 5538 1 . LEU 60 60 5538 1 . TRP 61 61 5538 1 . THR 62 62 5538 1 . GLY 63 63 5538 1 . SER 64 64 5538 1 . ASP 65 65 5538 1 . SER 66 66 5538 1 . LEU 67 67 5538 1 . THR 68 68 5538 1 . PRO 69 69 5538 1 . LEU 70 70 5538 1 . THR 71 71 5538 1 . SER 72 72 5538 1 . GLU 73 73 5538 1 . ALA 74 74 5538 1 . ILE 75 75 5538 1 . SER 76 76 5538 1 . GLN 77 77 5538 1 . PHE 78 78 5538 1 . LEU 79 79 5538 1 . GLU 80 80 5538 1 . LYS 81 81 5538 1 . PRO 82 82 5538 1 . LYS 83 83 5538 1 . PRO 84 84 5538 1 . LYS 85 85 5538 1 . THR 86 86 5538 1 . ALA 87 87 5538 1 . SER 88 88 5538 1 . LEU 89 89 5538 1 . ILE 90 90 5538 1 . LYS 91 91 5538 1 . ALA 92 92 5538 1 . TYR 93 93 5538 1 . LYS 94 94 5538 1 . MET 95 95 5538 1 . ALA 96 96 5538 1 . GLN 97 97 5538 1 . SER 98 98 5538 1 . THR 99 99 5538 1 . PRO 100 100 5538 1 . ASP 101 101 5538 1 . LEU 102 102 5538 1 . ASP 103 103 5538 1 . SER 104 104 5538 1 . LEU 105 105 5538 1 . SER 106 106 5538 1 . VAL 107 107 5538 1 . PRO 108 108 5538 1 . SER 109 109 5538 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 5538 _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 $PWWP_domain . 4896 . . 'Schizosaccharomyces pombe' 'Fission yeast' . . Eukaryota Fungi Schizosaccharomyces pombe . . . . . . . . . . . . . . . . . . . . . 5538 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 5538 _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 $PWWP_domain . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5538 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5538 _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 'PWWP domain' '[U-99% 13C; U-99% 15N]' . . 1 $PWWP_domain . . 1.0 0.5 1.5 mM . . . . 5538 1 2 'potassium phosphate' . . . . . . . 50 . . mM . . . . 5538 1 3 NaCl . . . . . . . 300 . . mM . . . . 5538 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5538 _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 6.0 0.2 n/a 5538 1 temperature 290 0.1 K 5538 1 'ionic strength' 0.35 0.02 M 5538 1 stop_ save_ ############################ # Computer software used # ############################ save_Ansig _Software.Sf_category software _Software.Sf_framecode Ansig _Software.Entry_ID 5538 _Software.ID 1 _Software.Name Ansig _Software.Version 3.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 5538 1 'through space NOE determination' 5538 1 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 5538 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Advance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5538 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Advance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5538 _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 Advance . 800 . . . 5538 1 2 NMR_spectrometer_2 Bruker Advance . 600 . . . 5538 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 5538 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5538 1 2 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5538 1 3 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5538 1 4 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5538 1 5 '2D DQF-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5538 1 6 15N-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5538 1 7 13C-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5538 1 8 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5538 1 9 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5538 1 10 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5538 1 11 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5538 1 12 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5538 1 13 13C-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5538 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5538 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5538 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5538 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5538 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5538 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D DQF-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5538 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5538 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 13C-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5538 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5538 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5538 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5538 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5538 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HNHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5538 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name 13C-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.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 5538 _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 . . . . . . . . . 5538 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5538 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5538 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5538 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 . 5538 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY C C 13 170.37 0.1 . 1 . . . . . . . . 5538 1 2 . 1 1 1 1 GLY CA C 13 43.01 0.1 . 1 . . . . . . . . 5538 1 3 . 1 1 2 2 SER HA H 1 4.47 0.005 . 1 . . . . . . . . 5538 1 4 . 1 1 2 2 SER HB2 H 1 3.87 0.005 . 1 . . . . . . . . 5538 1 5 . 1 1 2 2 SER HB3 H 1 3.87 0.005 . 1 . . . . . . . . 5538 1 6 . 1 1 2 2 SER C C 13 174.35 0.1 . 1 . . . . . . . . 5538 1 7 . 1 1 2 2 SER CA C 13 57.84 0.1 . 1 . . . . . . . . 5538 1 8 . 1 1 2 2 SER CB C 13 63.19 0.1 . 1 . . . . . . . . 5538 1 9 . 1 1 2 2 SER N N 15 115.80 0.1 . 1 . . . . . . . . 5538 1 10 . 1 1 3 3 GLU H H 1 8.71 0.005 . 1 . . . . . . . . 5538 1 11 . 1 1 3 3 GLU HA H 1 4.27 0.005 . 1 . . . . . . . . 5538 1 12 . 1 1 3 3 GLU HB2 H 1 2.00 0.005 . 2 . . . . . . . . 5538 1 13 . 1 1 3 3 GLU HB3 H 1 1.90 0.005 . 2 . . . . . . . . 5538 1 14 . 1 1 3 3 GLU HG2 H 1 2.23 0.005 . 2 . . . . . . . . 5538 1 15 . 1 1 3 3 GLU HG3 H 1 2.27 0.005 . 2 . . . . . . . . 5538 1 16 . 1 1 3 3 GLU C C 13 176.23 0.1 . 1 . . . . . . . . 5538 1 17 . 1 1 3 3 GLU CA C 13 56.15 0.1 . 1 . . . . . . . . 5538 1 18 . 1 1 3 3 GLU CB C 13 29.40 0.1 . 1 . . . . . . . . 5538 1 19 . 1 1 3 3 GLU N N 15 122.95 0.1 . 1 . . . . . . . . 5538 1 20 . 1 1 4 4 ARG H H 1 8.43 0.005 . 1 . . . . . . . . 5538 1 21 . 1 1 4 4 ARG HA H 1 4.28 0.005 . 1 . . . . . . . . 5538 1 22 . 1 1 4 4 ARG HB2 H 1 1.78 0.005 . 2 . . . . . . . . 5538 1 23 . 1 1 4 4 ARG HB3 H 1 1.73 0.005 . 2 . . . . . . . . 5538 1 24 . 1 1 4 4 ARG HG2 H 1 1.60 0.005 . 2 . . . . . . . . 5538 1 25 . 1 1 4 4 ARG HG3 H 1 1.52 0.005 . 2 . . . . . . . . 5538 1 26 . 1 1 4 4 ARG HD2 H 1 3.18 0.005 . 1 . . . . . . . . 5538 1 27 . 1 1 4 4 ARG HD3 H 1 3.18 0.005 . 1 . . . . . . . . 5538 1 28 . 1 1 4 4 ARG C C 13 175.77 0.1 . 1 . . . . . . . . 5538 1 29 . 1 1 4 4 ARG CA C 13 55.63 0.1 . 1 . . . . . . . . 5538 1 30 . 1 1 4 4 ARG CB C 13 30.10 0.1 . 1 . . . . . . . . 5538 1 31 . 1 1 4 4 ARG N N 15 122.70 0.1 . 1 . . . . . . . . 5538 1 32 . 1 1 5 5 VAL H H 1 8.16 0.005 . 1 . . . . . . . . 5538 1 33 . 1 1 5 5 VAL HA H 1 3.79 0.005 . 1 . . . . . . . . 5538 1 34 . 1 1 5 5 VAL HB H 1 1.64 0.005 . 1 . . . . . . . . 5538 1 35 . 1 1 5 5 VAL HG11 H 1 0.23 0.005 . 1 . . . . . . . . 5538 1 36 . 1 1 5 5 VAL HG12 H 1 0.23 0.005 . 1 . . . . . . . . 5538 1 37 . 1 1 5 5 VAL HG13 H 1 0.23 0.005 . 1 . . . . . . . . 5538 1 38 . 1 1 5 5 VAL HG21 H 1 0.76 0.005 . 1 . . . . . . . . 5538 1 39 . 1 1 5 5 VAL HG22 H 1 0.76 0.005 . 1 . . . . . . . . 5538 1 40 . 1 1 5 5 VAL HG23 H 1 0.76 0.005 . 1 . . . . . . . . 5538 1 41 . 1 1 5 5 VAL C C 13 174.72 0.1 . 1 . . . . . . . . 5538 1 42 . 1 1 5 5 VAL CA C 13 61.35 0.1 . 1 . . . . . . . . 5538 1 43 . 1 1 5 5 VAL CB C 13 32.56 0.1 . 1 . . . . . . . . 5538 1 44 . 1 1 5 5 VAL CG1 C 13 19.87 0.1 . 1 . . . . . . . . 5538 1 45 . 1 1 5 5 VAL CG2 C 13 20.46 0.1 . 1 . . . . . . . . 5538 1 46 . 1 1 5 5 VAL N N 15 123.14 0.1 . 1 . . . . . . . . 5538 1 47 . 1 1 6 6 ASN H H 1 8.31 0.005 . 1 . . . . . . . . 5538 1 48 . 1 1 6 6 ASN HA H 1 4.73 0.005 . 1 . . . . . . . . 5538 1 49 . 1 1 6 6 ASN HB2 H 1 2.65 0.005 . 2 . . . . . . . . 5538 1 50 . 1 1 6 6 ASN HB3 H 1 2.55 0.005 . 2 . . . . . . . . 5538 1 51 . 1 1 6 6 ASN HD21 H 1 6.89 0.005 . 2 . . . . . . . . 5538 1 52 . 1 1 6 6 ASN HD22 H 1 7.52 0.005 . 2 . . . . . . . . 5538 1 53 . 1 1 6 6 ASN C C 13 173.76 0.1 . 1 . . . . . . . . 5538 1 54 . 1 1 6 6 ASN CA C 13 51.32 0.1 . 1 . . . . . . . . 5538 1 55 . 1 1 6 6 ASN CB C 13 38.30 0.1 . 1 . . . . . . . . 5538 1 56 . 1 1 6 6 ASN N N 15 124.14 0.1 . 1 . . . . . . . . 5538 1 57 . 1 1 6 6 ASN ND2 N 15 112.54 0.1 . 1 . . . . . . . . 5538 1 58 . 1 1 7 7 TYR H H 1 7.32 0.005 . 1 . . . . . . . . 5538 1 59 . 1 1 7 7 TYR HA H 1 4.31 0.005 . 1 . . . . . . . . 5538 1 60 . 1 1 7 7 TYR HB2 H 1 1.74 0.005 . 1 . . . . . . . . 5538 1 61 . 1 1 7 7 TYR HB3 H 1 2.21 0.005 . 1 . . . . . . . . 5538 1 62 . 1 1 7 7 TYR HD1 H 1 6.52 0.005 . 1 . . . . . . . . 5538 1 63 . 1 1 7 7 TYR HD2 H 1 6.52 0.005 . 1 . . . . . . . . 5538 1 64 . 1 1 7 7 TYR HE1 H 1 6.33 0.005 . 1 . . . . . . . . 5538 1 65 . 1 1 7 7 TYR HE2 H 1 6.33 0.005 . 1 . . . . . . . . 5538 1 66 . 1 1 7 7 TYR C C 13 174.64 0.1 . 1 . . . . . . . . 5538 1 67 . 1 1 7 7 TYR CA C 13 58.88 0.1 . 1 . . . . . . . . 5538 1 68 . 1 1 7 7 TYR CB C 13 38.47 0.1 . 1 . . . . . . . . 5538 1 69 . 1 1 7 7 TYR N N 15 121.08 0.1 . 1 . . . . . . . . 5538 1 70 . 1 1 8 8 LYS H H 1 7.53 0.005 . 1 . . . . . . . . 5538 1 71 . 1 1 8 8 LYS HA H 1 4.89 0.005 . 1 . . . . . . . . 5538 1 72 . 1 1 8 8 LYS HB2 H 1 1.55 0.005 . 2 . . . . . . . . 5538 1 73 . 1 1 8 8 LYS HB3 H 1 1.82 0.005 . 2 . . . . . . . . 5538 1 74 . 1 1 8 8 LYS HG2 H 1 1.38 0.005 . 1 . . . . . . . . 5538 1 75 . 1 1 8 8 LYS HG3 H 1 1.38 0.005 . 1 . . . . . . . . 5538 1 76 . 1 1 8 8 LYS HD2 H 1 1.64 0.005 . 2 . . . . . . . . 5538 1 77 . 1 1 8 8 LYS HD3 H 1 1.70 0.005 . 2 . . . . . . . . 5538 1 78 . 1 1 8 8 LYS HE2 H 1 2.95 0.005 . 1 . . . . . . . . 5538 1 79 . 1 1 8 8 LYS HE3 H 1 2.95 0.005 . 1 . . . . . . . . 5538 1 80 . 1 1 8 8 LYS C C 13 172.53 0.1 . 1 . . . . . . . . 5538 1 81 . 1 1 8 8 LYS CA C 13 52.28 0.1 . 1 . . . . . . . . 5538 1 82 . 1 1 8 8 LYS CB C 13 33.70 0.1 . 1 . . . . . . . . 5538 1 83 . 1 1 8 8 LYS N N 15 121.17 0.1 . 1 . . . . . . . . 5538 1 84 . 1 1 9 9 PRO HA H 1 4.88 0.005 . 1 . . . . . . . . 5538 1 85 . 1 1 9 9 PRO HB2 H 1 2.16 0.005 . 2 . . . . . . . . 5538 1 86 . 1 1 9 9 PRO HB3 H 1 1.96 0.005 . 2 . . . . . . . . 5538 1 87 . 1 1 9 9 PRO HG2 H 1 1.90 0.005 . 2 . . . . . . . . 5538 1 88 . 1 1 9 9 PRO HG3 H 1 1.85 0.005 . 2 . . . . . . . . 5538 1 89 . 1 1 9 9 PRO HD2 H 1 3.97 0.005 . 2 . . . . . . . . 5538 1 90 . 1 1 9 9 PRO HD3 H 1 3.58 0.005 . 2 . . . . . . . . 5538 1 91 . 1 1 9 9 PRO C C 13 177.33 0.1 . 1 . . . . . . . . 5538 1 92 . 1 1 9 9 PRO CA C 13 62.61 0.1 . 1 . . . . . . . . 5538 1 93 . 1 1 9 9 PRO CB C 13 31.88 0.1 . 1 . . . . . . . . 5538 1 94 . 1 1 10 10 GLY H H 1 9.45 0.005 . 1 . . . . . . . . 5538 1 95 . 1 1 10 10 GLY HA2 H 1 3.87 0.005 . 1 . . . . . . . . 5538 1 96 . 1 1 10 10 GLY HA3 H 1 4.59 0.005 . 1 . . . . . . . . 5538 1 97 . 1 1 10 10 GLY C C 13 173.57 0.1 . 1 . . . . . . . . 5538 1 98 . 1 1 10 10 GLY CA C 13 44.64 0.1 . 1 . . . . . . . . 5538 1 99 . 1 1 10 10 GLY N N 15 112.84 0.1 . 1 . . . . . . . . 5538 1 100 . 1 1 11 11 MET H H 1 7.66 0.005 . 1 . . . . . . . . 5538 1 101 . 1 1 11 11 MET HA H 1 4.36 0.005 . 1 . . . . . . . . 5538 1 102 . 1 1 11 11 MET HB2 H 1 2.00 0.005 . 1 . . . . . . . . 5538 1 103 . 1 1 11 11 MET HB3 H 1 2.12 0.005 . 1 . . . . . . . . 5538 1 104 . 1 1 11 11 MET HG2 H 1 2.72 0.005 . 2 . . . . . . . . 5538 1 105 . 1 1 11 11 MET HG3 H 1 2.67 0.005 . 2 . . . . . . . . 5538 1 106 . 1 1 11 11 MET HE1 H 1 2.04 0.005 . 1 . . . . . . . . 5538 1 107 . 1 1 11 11 MET HE2 H 1 2.04 0.005 . 1 . . . . . . . . 5538 1 108 . 1 1 11 11 MET HE3 H 1 2.04 0.005 . 1 . . . . . . . . 5538 1 109 . 1 1 11 11 MET C C 13 175.63 0.1 . 1 . . . . . . . . 5538 1 110 . 1 1 11 11 MET CA C 13 56.18 0.1 . 1 . . . . . . . . 5538 1 111 . 1 1 11 11 MET CB C 13 33.37 0.1 . 1 . . . . . . . . 5538 1 112 . 1 1 11 11 MET CE C 13 16.11 0.1 . 1 . . . . . . . . 5538 1 113 . 1 1 11 11 MET N N 15 118.17 0.1 . 1 . . . . . . . . 5538 1 114 . 1 1 12 12 ARG H H 1 8.74 0.005 . 1 . . . . . . . . 5538 1 115 . 1 1 12 12 ARG HA H 1 4.79 0.005 . 1 . . . . . . . . 5538 1 116 . 1 1 12 12 ARG HB2 H 1 1.67 0.005 . 2 . . . . . . . . 5538 1 117 . 1 1 12 12 ARG HB3 H 1 2.31 0.005 . 2 . . . . . . . . 5538 1 118 . 1 1 12 12 ARG C C 13 175.63 0.1 . 1 . . . . . . . . 5538 1 119 . 1 1 12 12 ARG CA C 13 56.18 0.1 . 1 . . . . . . . . 5538 1 120 . 1 1 12 12 ARG CB C 13 33.37 0.1 . 1 . . . . . . . . 5538 1 121 . 1 1 12 12 ARG N N 15 124.90 0.1 . 1 . . . . . . . . 5538 1 122 . 1 1 13 13 VAL H H 1 8.86 0.005 . 1 . . . . . . . . 5538 1 123 . 1 1 13 13 VAL HA H 1 4.92 0.005 . 1 . . . . . . . . 5538 1 124 . 1 1 13 13 VAL HB H 1 2.00 0.005 . 1 . . . . . . . . 5538 1 125 . 1 1 13 13 VAL HG11 H 1 0.65 0.005 . 1 . . . . . . . . 5538 1 126 . 1 1 13 13 VAL HG12 H 1 0.65 0.005 . 1 . . . . . . . . 5538 1 127 . 1 1 13 13 VAL HG13 H 1 0.65 0.005 . 1 . . . . . . . . 5538 1 128 . 1 1 13 13 VAL HG21 H 1 0.35 0.005 . 1 . . . . . . . . 5538 1 129 . 1 1 13 13 VAL HG22 H 1 0.35 0.005 . 1 . . . . . . . . 5538 1 130 . 1 1 13 13 VAL HG23 H 1 0.35 0.005 . 1 . . . . . . . . 5538 1 131 . 1 1 13 13 VAL C C 13 174.43 0.1 . 1 . . . . . . . . 5538 1 132 . 1 1 13 13 VAL CA C 13 58.98 0.1 . 1 . . . . . . . . 5538 1 133 . 1 1 13 13 VAL CB C 13 36.63 0.1 . 1 . . . . . . . . 5538 1 134 . 1 1 13 13 VAL CG1 C 13 23.50 0.1 . 1 . . . . . . . . 5538 1 135 . 1 1 13 13 VAL CG2 C 13 16.55 0.1 . 1 . . . . . . . . 5538 1 136 . 1 1 13 13 VAL N N 15 118.20 0.1 . 1 . . . . . . . . 5538 1 137 . 1 1 14 14 LEU H H 1 8.82 0.005 . 1 . . . . . . . . 5538 1 138 . 1 1 14 14 LEU HA H 1 4.77 0.005 . 1 . . . . . . . . 5538 1 139 . 1 1 14 14 LEU HB2 H 1 1.75 0.005 . 1 . . . . . . . . 5538 1 140 . 1 1 14 14 LEU HB3 H 1 1.75 0.005 . 1 . . . . . . . . 5538 1 141 . 1 1 14 14 LEU HG H 1 1.43 0.005 . 1 . . . . . . . . 5538 1 142 . 1 1 14 14 LEU HD11 H 1 0.67 0.005 . 1 . . . . . . . . 5538 1 143 . 1 1 14 14 LEU HD12 H 1 0.67 0.005 . 1 . . . . . . . . 5538 1 144 . 1 1 14 14 LEU HD13 H 1 0.67 0.005 . 1 . . . . . . . . 5538 1 145 . 1 1 14 14 LEU HD21 H 1 0.48 0.005 . 1 . . . . . . . . 5538 1 146 . 1 1 14 14 LEU HD22 H 1 0.48 0.005 . 1 . . . . . . . . 5538 1 147 . 1 1 14 14 LEU HD23 H 1 0.48 0.005 . 1 . . . . . . . . 5538 1 148 . 1 1 14 14 LEU C C 13 175.74 0.1 . 1 . . . . . . . . 5538 1 149 . 1 1 14 14 LEU CA C 13 52.77 0.1 . 1 . . . . . . . . 5538 1 150 . 1 1 14 14 LEU CB C 13 44.97 0.1 . 1 . . . . . . . . 5538 1 151 . 1 1 14 14 LEU CD1 C 13 24.42 0.1 . 1 . . . . . . . . 5538 1 152 . 1 1 14 14 LEU CD2 C 13 22.53 0.1 . 1 . . . . . . . . 5538 1 153 . 1 1 14 14 LEU N N 15 116.89 0.1 . 1 . . . . . . . . 5538 1 154 . 1 1 15 15 THR H H 1 8.49 0.005 . 1 . . . . . . . . 5538 1 155 . 1 1 15 15 THR HA H 1 5.29 0.005 . 1 . . . . . . . . 5538 1 156 . 1 1 15 15 THR HB H 1 3.62 0.005 . 1 . . . . . . . . 5538 1 157 . 1 1 15 15 THR HG1 H 1 4.59 0.005 . 1 . . . . . . . . 5538 1 158 . 1 1 15 15 THR HG21 H 1 1.01 0.005 . 1 . . . . . . . . 5538 1 159 . 1 1 15 15 THR HG22 H 1 1.01 0.005 . 1 . . . . . . . . 5538 1 160 . 1 1 15 15 THR HG23 H 1 1.01 0.005 . 1 . . . . . . . . 5538 1 161 . 1 1 15 15 THR C C 13 175.64 0.1 . 1 . . . . . . . . 5538 1 162 . 1 1 15 15 THR CA C 13 61.10 0.1 . 1 . . . . . . . . 5538 1 163 . 1 1 15 15 THR CB C 13 69.21 0.1 . 1 . . . . . . . . 5538 1 164 . 1 1 15 15 THR CG2 C 13 21.93 0.1 . 1 . . . . . . . . 5538 1 165 . 1 1 15 15 THR N N 15 116.88 0.1 . 1 . . . . . . . . 5538 1 166 . 1 1 16 16 LYS H H 1 9.11 0.005 . 1 . . . . . . . . 5538 1 167 . 1 1 16 16 LYS HA H 1 3.99 0.005 . 1 . . . . . . . . 5538 1 168 . 1 1 16 16 LYS HB2 H 1 1.01 0.005 . 2 . . . . . . . . 5538 1 169 . 1 1 16 16 LYS HB3 H 1 0.59 0.005 . 2 . . . . . . . . 5538 1 170 . 1 1 16 16 LYS HG2 H 1 -1.16 0.005 . 2 . . . . . . . . 5538 1 171 . 1 1 16 16 LYS HG3 H 1 -0.23 0.005 . 2 . . . . . . . . 5538 1 172 . 1 1 16 16 LYS HD2 H 1 1.15 0.005 . 2 . . . . . . . . 5538 1 173 . 1 1 16 16 LYS HD3 H 1 1.02 0.005 . 2 . . . . . . . . 5538 1 174 . 1 1 16 16 LYS HE2 H 1 2.88 0.005 . 2 . . . . . . . . 5538 1 175 . 1 1 16 16 LYS HE3 H 1 2.59 0.005 . 2 . . . . . . . . 5538 1 176 . 1 1 16 16 LYS C C 13 174.03 0.1 . 1 . . . . . . . . 5538 1 177 . 1 1 16 16 LYS CA C 13 53.02 0.1 . 1 . . . . . . . . 5538 1 178 . 1 1 16 16 LYS CB C 13 31.12 0.1 . 1 . . . . . . . . 5538 1 179 . 1 1 16 16 LYS CE C 13 42.21 0.1 . 1 . . . . . . . . 5538 1 180 . 1 1 16 16 LYS N N 15 131.84 0.1 . 1 . . . . . . . . 5538 1 181 . 1 1 17 17 MET H H 1 8.82 0.005 . 1 . . . . . . . . 5538 1 182 . 1 1 17 17 MET HA H 1 4.57 0.005 . 1 . . . . . . . . 5538 1 183 . 1 1 17 17 MET HB2 H 1 1.90 0.005 . 1 . . . . . . . . 5538 1 184 . 1 1 17 17 MET HB3 H 1 1.79 0.005 . 1 . . . . . . . . 5538 1 185 . 1 1 17 17 MET HG2 H 1 2.17 0.005 . 2 . . . . . . . . 5538 1 186 . 1 1 17 17 MET HG3 H 1 2.27 0.005 . 2 . . . . . . . . 5538 1 187 . 1 1 17 17 MET HE1 H 1 1.27 0.005 . 1 . . . . . . . . 5538 1 188 . 1 1 17 17 MET HE2 H 1 1.27 0.005 . 1 . . . . . . . . 5538 1 189 . 1 1 17 17 MET HE3 H 1 1.27 0.005 . 1 . . . . . . . . 5538 1 190 . 1 1 17 17 MET C C 13 175.76 0.1 . 1 . . . . . . . . 5538 1 191 . 1 1 17 17 MET CA C 13 53.04 0.1 . 1 . . . . . . . . 5538 1 192 . 1 1 17 17 MET CB C 13 34.84 0.1 . 1 . . . . . . . . 5538 1 193 . 1 1 17 17 MET CE C 13 15.40 0.1 . 1 . . . . . . . . 5538 1 194 . 1 1 17 17 MET N N 15 128.40 0.1 . 1 . . . . . . . . 5538 1 195 . 1 1 18 18 SER H H 1 8.70 0.005 . 1 . . . . . . . . 5538 1 196 . 1 1 18 18 SER HA H 1 4.13 0.005 . 1 . . . . . . . . 5538 1 197 . 1 1 18 18 SER HB2 H 1 3.78 0.005 . 1 . . . . . . . . 5538 1 198 . 1 1 18 18 SER HB3 H 1 3.78 0.005 . 1 . . . . . . . . 5538 1 199 . 1 1 18 18 SER C C 13 175.98 0.1 . 1 . . . . . . . . 5538 1 200 . 1 1 18 18 SER CA C 13 59.49 0.1 . 1 . . . . . . . . 5538 1 201 . 1 1 18 18 SER CB C 13 62.13 0.1 . 1 . . . . . . . . 5538 1 202 . 1 1 18 18 SER N N 15 117.33 0.1 . 1 . . . . . . . . 5538 1 203 . 1 1 19 19 GLY H H 1 8.91 0.005 . 1 . . . . . . . . 5538 1 204 . 1 1 19 19 GLY HA2 H 1 3.52 0.005 . 1 . . . . . . . . 5538 1 205 . 1 1 19 19 GLY HA3 H 1 3.94 0.005 . 1 . . . . . . . . 5538 1 206 . 1 1 19 19 GLY C C 13 173.44 0.1 . 1 . . . . . . . . 5538 1 207 . 1 1 19 19 GLY CA C 13 44.58 0.1 . 1 . . . . . . . . 5538 1 208 . 1 1 19 19 GLY N N 15 113.72 0.1 . 1 . . . . . . . . 5538 1 209 . 1 1 20 20 PHE H H 1 7.92 0.005 . 1 . . . . . . . . 5538 1 210 . 1 1 20 20 PHE HA H 1 5.00 0.005 . 1 . . . . . . . . 5538 1 211 . 1 1 20 20 PHE HB2 H 1 2.77 0.005 . 1 . . . . . . . . 5538 1 212 . 1 1 20 20 PHE HB3 H 1 3.23 0.005 . 1 . . . . . . . . 5538 1 213 . 1 1 20 20 PHE HD1 H 1 7.05 0.005 . 1 . . . . . . . . 5538 1 214 . 1 1 20 20 PHE HD2 H 1 7.05 0.005 . 1 . . . . . . . . 5538 1 215 . 1 1 20 20 PHE HE1 H 1 7.11 0.005 . 1 . . . . . . . . 5538 1 216 . 1 1 20 20 PHE HE2 H 1 7.11 0.005 . 1 . . . . . . . . 5538 1 217 . 1 1 20 20 PHE C C 13 172.64 0.1 . 1 . . . . . . . . 5538 1 218 . 1 1 20 20 PHE CA C 13 55.63 0.1 . 1 . . . . . . . . 5538 1 219 . 1 1 20 20 PHE CB C 13 41.26 0.1 . 1 . . . . . . . . 5538 1 220 . 1 1 20 20 PHE N N 15 118.97 0.1 . 1 . . . . . . . . 5538 1 221 . 1 1 21 21 PRO HA H 1 4.81 0.005 . 1 . . . . . . . . 5538 1 222 . 1 1 21 21 PRO HB2 H 1 2.15 0.005 . 1 . . . . . . . . 5538 1 223 . 1 1 21 21 PRO HB3 H 1 2.55 0.005 . 1 . . . . . . . . 5538 1 224 . 1 1 21 21 PRO HG2 H 1 2.41 0.005 . 1 . . . . . . . . 5538 1 225 . 1 1 21 21 PRO HG3 H 1 2.30 0.005 . 1 . . . . . . . . 5538 1 226 . 1 1 21 21 PRO HD2 H 1 4.20 0.005 . 1 . . . . . . . . 5538 1 227 . 1 1 21 21 PRO HD3 H 1 4.11 0.005 . 1 . . . . . . . . 5538 1 228 . 1 1 21 21 PRO C C 13 176.84 0.1 . 1 . . . . . . . . 5538 1 229 . 1 1 21 21 PRO CA C 13 61.66 0.1 . 1 . . . . . . . . 5538 1 230 . 1 1 21 21 PRO CB C 13 31.60 0.1 . 1 . . . . . . . . 5538 1 231 . 1 1 22 22 TRP H H 1 8.37 0.005 . 1 . . . . . . . . 5538 1 232 . 1 1 22 22 TRP HA H 1 3.89 0.005 . 1 . . . . . . . . 5538 1 233 . 1 1 22 22 TRP HB2 H 1 3.05 0.005 . 1 . . . . . . . . 5538 1 234 . 1 1 22 22 TRP HB3 H 1 3.17 0.005 . 1 . . . . . . . . 5538 1 235 . 1 1 22 22 TRP HD1 H 1 7.62 0.005 . 1 . . . . . . . . 5538 1 236 . 1 1 22 22 TRP HE1 H 1 10.34 0.005 . 1 . . . . . . . . 5538 1 237 . 1 1 22 22 TRP HE3 H 1 7.03 0.005 . 1 . . . . . . . . 5538 1 238 . 1 1 22 22 TRP HZ2 H 1 7.49 0.005 . 1 . . . . . . . . 5538 1 239 . 1 1 22 22 TRP HZ3 H 1 6.86 0.005 . 1 . . . . . . . . 5538 1 240 . 1 1 22 22 TRP HH2 H 1 7.01 0.005 . 1 . . . . . . . . 5538 1 241 . 1 1 22 22 TRP C C 13 176.41 0.1 . 1 . . . . . . . . 5538 1 242 . 1 1 22 22 TRP CA C 13 59.41 0.1 . 1 . . . . . . . . 5538 1 243 . 1 1 22 22 TRP CB C 13 28.86 0.1 . 1 . . . . . . . . 5538 1 244 . 1 1 22 22 TRP N N 15 122.01 0.1 . 1 . . . . . . . . 5538 1 245 . 1 1 22 22 TRP NE1 N 15 130.03 0.1 . 1 . . . . . . . . 5538 1 246 . 1 1 23 23 TRP H H 1 8.65 0.005 . 1 . . . . . . . . 5538 1 247 . 1 1 23 23 TRP HA H 1 4.77 0.005 . 1 . . . . . . . . 5538 1 248 . 1 1 23 23 TRP HB2 H 1 3.47 0.005 . 2 . . . . . . . . 5538 1 249 . 1 1 23 23 TRP HB3 H 1 3.30 0.005 . 2 . . . . . . . . 5538 1 250 . 1 1 23 23 TRP HD1 H 1 7.84 0.005 . 1 . . . . . . . . 5538 1 251 . 1 1 23 23 TRP HE1 H 1 10.99 0.005 . 1 . . . . . . . . 5538 1 252 . 1 1 23 23 TRP HE3 H 1 7.80 0.005 . 1 . . . . . . . . 5538 1 253 . 1 1 23 23 TRP HZ2 H 1 7.20 0.005 . 1 . . . . . . . . 5538 1 254 . 1 1 23 23 TRP HZ3 H 1 7.27 0.005 . 1 . . . . . . . . 5538 1 255 . 1 1 23 23 TRP HH2 H 1 7.27 0.005 . 1 . . . . . . . . 5538 1 256 . 1 1 23 23 TRP C C 13 175.62 0.1 . 1 . . . . . . . . 5538 1 257 . 1 1 23 23 TRP CA C 13 56.51 0.1 . 1 . . . . . . . . 5538 1 258 . 1 1 23 23 TRP N N 15 126.29 0.1 . 1 . . . . . . . . 5538 1 259 . 1 1 23 23 TRP NE1 N 15 131.54 0.1 . 1 . . . . . . . . 5538 1 260 . 1 1 24 24 PRO HA H 1 4.43 0.005 . 1 . . . . . . . . 5538 1 261 . 1 1 24 24 PRO HB2 H 1 1.59 0.005 . 2 . . . . . . . . 5538 1 262 . 1 1 24 24 PRO HB3 H 1 2.02 0.005 . 2 . . . . . . . . 5538 1 263 . 1 1 24 24 PRO HG2 H 1 0.54 0.005 . 1 . . . . . . . . 5538 1 264 . 1 1 24 24 PRO HG3 H 1 0.04 0.005 . 1 . . . . . . . . 5538 1 265 . 1 1 24 24 PRO HD2 H 1 3.01 0.005 . 1 . . . . . . . . 5538 1 266 . 1 1 24 24 PRO HD3 H 1 3.01 0.005 . 1 . . . . . . . . 5538 1 267 . 1 1 24 24 PRO C C 13 173.49 0.1 . 1 . . . . . . . . 5538 1 268 . 1 1 24 24 PRO CA C 13 63.96 0.1 . 1 . . . . . . . . 5538 1 269 . 1 1 24 24 PRO CB C 13 32.66 0.1 . 1 . . . . . . . . 5538 1 270 . 1 1 25 25 SER H H 1 9.07 0.005 . 1 . . . . . . . . 5538 1 271 . 1 1 25 25 SER HA H 1 4.28 0.005 . 1 . . . . . . . . 5538 1 272 . 1 1 25 25 SER HB2 H 1 2.92 0.005 . 2 . . . . . . . . 5538 1 273 . 1 1 25 25 SER HB3 H 1 3.46 0.005 . 2 . . . . . . . . 5538 1 274 . 1 1 25 25 SER HG H 1 3.57 0.005 . 1 . . . . . . . . 5538 1 275 . 1 1 25 25 SER C C 13 173.32 0.1 . 1 . . . . . . . . 5538 1 276 . 1 1 25 25 SER CA C 13 55.64 0.1 . 1 . . . . . . . . 5538 1 277 . 1 1 25 25 SER CB C 13 64.74 0.1 . 1 . . . . . . . . 5538 1 278 . 1 1 25 25 SER N N 15 116.75 0.1 . 1 . . . . . . . . 5538 1 279 . 1 1 26 26 MET H H 1 8.32 0.005 . 1 . . . . . . . . 5538 1 280 . 1 1 26 26 MET HA H 1 5.11 0.005 . 1 . . . . . . . . 5538 1 281 . 1 1 26 26 MET HB2 H 1 2.00 0.005 . 1 . . . . . . . . 5538 1 282 . 1 1 26 26 MET HB3 H 1 1.39 0.005 . 1 . . . . . . . . 5538 1 283 . 1 1 26 26 MET HG2 H 1 1.85 0.005 . 2 . . . . . . . . 5538 1 284 . 1 1 26 26 MET HG3 H 1 2.33 0.005 . 2 . . . . . . . . 5538 1 285 . 1 1 26 26 MET HE1 H 1 1.90 0.005 . 1 . . . . . . . . 5538 1 286 . 1 1 26 26 MET HE2 H 1 1.90 0.005 . 1 . . . . . . . . 5538 1 287 . 1 1 26 26 MET HE3 H 1 1.90 0.005 . 1 . . . . . . . . 5538 1 288 . 1 1 26 26 MET C C 13 174.53 0.1 . 1 . . . . . . . . 5538 1 289 . 1 1 26 26 MET CA C 13 54.06 0.1 . 1 . . . . . . . . 5538 1 290 . 1 1 26 26 MET CB C 13 36.98 0.1 . 1 . . . . . . . . 5538 1 291 . 1 1 26 26 MET CE C 13 17.77 0.1 . 1 . . . . . . . . 5538 1 292 . 1 1 26 26 MET N N 15 118.22 0.1 . 1 . . . . . . . . 5538 1 293 . 1 1 27 27 VAL H H 1 8.14 0.005 . 1 . . . . . . . . 5538 1 294 . 1 1 27 27 VAL HA H 1 4.24 0.005 . 1 . . . . . . . . 5538 1 295 . 1 1 27 27 VAL HB H 1 2.16 0.005 . 1 . . . . . . . . 5538 1 296 . 1 1 27 27 VAL HG11 H 1 0.88 0.005 . 1 . . . . . . . . 5538 1 297 . 1 1 27 27 VAL HG12 H 1 0.88 0.005 . 1 . . . . . . . . 5538 1 298 . 1 1 27 27 VAL HG13 H 1 0.88 0.005 . 1 . . . . . . . . 5538 1 299 . 1 1 27 27 VAL HG21 H 1 0.68 0.005 . 1 . . . . . . . . 5538 1 300 . 1 1 27 27 VAL HG22 H 1 0.68 0.005 . 1 . . . . . . . . 5538 1 301 . 1 1 27 27 VAL HG23 H 1 0.68 0.005 . 1 . . . . . . . . 5538 1 302 . 1 1 27 27 VAL C C 13 176.77 0.1 . 1 . . . . . . . . 5538 1 303 . 1 1 27 27 VAL CA C 13 62.47 0.1 . 1 . . . . . . . . 5538 1 304 . 1 1 27 27 VAL CB C 13 30.77 0.1 . 1 . . . . . . . . 5538 1 305 . 1 1 27 27 VAL CG1 C 13 20.57 0.1 . 1 . . . . . . . . 5538 1 306 . 1 1 27 27 VAL CG2 C 13 21.44 0.1 . 1 . . . . . . . . 5538 1 307 . 1 1 27 27 VAL N N 15 126.48 0.1 . 1 . . . . . . . . 5538 1 308 . 1 1 28 28 VAL H H 1 8.54 0.005 . 1 . . . . . . . . 5538 1 309 . 1 1 28 28 VAL HA H 1 4.87 0.005 . 1 . . . . . . . . 5538 1 310 . 1 1 28 28 VAL HB H 1 2.15 0.005 . 1 . . . . . . . . 5538 1 311 . 1 1 28 28 VAL HG11 H 1 0.76 0.005 . 1 . . . . . . . . 5538 1 312 . 1 1 28 28 VAL HG12 H 1 0.76 0.005 . 1 . . . . . . . . 5538 1 313 . 1 1 28 28 VAL HG13 H 1 0.76 0.005 . 1 . . . . . . . . 5538 1 314 . 1 1 28 28 VAL HG21 H 1 0.56 0.005 . 1 . . . . . . . . 5538 1 315 . 1 1 28 28 VAL HG22 H 1 0.56 0.005 . 1 . . . . . . . . 5538 1 316 . 1 1 28 28 VAL HG23 H 1 0.56 0.005 . 1 . . . . . . . . 5538 1 317 . 1 1 28 28 VAL C C 13 173.79 0.1 . 1 . . . . . . . . 5538 1 318 . 1 1 28 28 VAL CA C 13 58.50 0.1 . 1 . . . . . . . . 5538 1 319 . 1 1 28 28 VAL CB C 13 33.25 0.1 . 1 . . . . . . . . 5538 1 320 . 1 1 28 28 VAL CG1 C 13 22.03 0.1 . 1 . . . . . . . . 5538 1 321 . 1 1 28 28 VAL CG2 C 13 17.49 0.1 . 1 . . . . . . . . 5538 1 322 . 1 1 28 28 VAL N N 15 121.15 0.1 . 1 . . . . . . . . 5538 1 323 . 1 1 29 29 THR H H 1 6.72 0.005 . 1 . . . . . . . . 5538 1 324 . 1 1 29 29 THR HA H 1 4.50 0.005 . 1 . . . . . . . . 5538 1 325 . 1 1 29 29 THR HB H 1 4.47 0.005 . 1 . . . . . . . . 5538 1 326 . 1 1 29 29 THR HG21 H 1 1.19 0.005 . 1 . . . . . . . . 5538 1 327 . 1 1 29 29 THR HG22 H 1 1.19 0.005 . 1 . . . . . . . . 5538 1 328 . 1 1 29 29 THR HG23 H 1 1.19 0.005 . 1 . . . . . . . . 5538 1 329 . 1 1 29 29 THR C C 13 175.35 0.1 . 1 . . . . . . . . 5538 1 330 . 1 1 29 29 THR CA C 13 58.86 0.1 . 1 . . . . . . . . 5538 1 331 . 1 1 29 29 THR CB C 13 69.82 0.1 . 1 . . . . . . . . 5538 1 332 . 1 1 29 29 THR CG2 C 13 21.53 0.1 . 1 . . . . . . . . 5538 1 333 . 1 1 29 29 THR N N 15 106.29 0.1 . 1 . . . . . . . . 5538 1 334 . 1 1 30 30 GLU H H 1 9.30 0.005 . 1 . . . . . . . . 5538 1 335 . 1 1 30 30 GLU HA H 1 3.81 0.005 . 1 . . . . . . . . 5538 1 336 . 1 1 30 30 GLU HB2 H 1 2.09 0.005 . 2 . . . . . . . . 5538 1 337 . 1 1 30 30 GLU HB3 H 1 2.15 0.005 . 2 . . . . . . . . 5538 1 338 . 1 1 30 30 GLU HG2 H 1 2.44 0.005 . 2 . . . . . . . . 5538 1 339 . 1 1 30 30 GLU HG3 H 1 2.52 0.005 . 2 . . . . . . . . 5538 1 340 . 1 1 30 30 GLU C C 13 178.53 0.1 . 1 . . . . . . . . 5538 1 341 . 1 1 30 30 GLU CA C 13 59.88 0.1 . 1 . . . . . . . . 5538 1 342 . 1 1 30 30 GLU CB C 13 28.79 0.1 . 1 . . . . . . . . 5538 1 343 . 1 1 30 30 GLU N N 15 122.95 0.1 . 1 . . . . . . . . 5538 1 344 . 1 1 31 31 SER H H 1 8.25 0.005 . 1 . . . . . . . . 5538 1 345 . 1 1 31 31 SER HA H 1 4.16 0.005 . 1 . . . . . . . . 5538 1 346 . 1 1 31 31 SER HB2 H 1 3.87 0.005 . 1 . . . . . . . . 5538 1 347 . 1 1 31 31 SER HB3 H 1 3.90 0.005 . 1 . . . . . . . . 5538 1 348 . 1 1 31 31 SER C C 13 175.45 0.1 . 1 . . . . . . . . 5538 1 349 . 1 1 31 31 SER CA C 13 60.03 0.1 . 1 . . . . . . . . 5538 1 350 . 1 1 31 31 SER CB C 13 61.92 0.1 . 1 . . . . . . . . 5538 1 351 . 1 1 31 31 SER N N 15 111.96 0.1 . 1 . . . . . . . . 5538 1 352 . 1 1 32 32 LYS H H 1 7.40 0.005 . 1 . . . . . . . . 5538 1 353 . 1 1 32 32 LYS HA H 1 4.28 0.005 . 1 . . . . . . . . 5538 1 354 . 1 1 32 32 LYS HB2 H 1 1.65 0.005 . 2 . . . . . . . . 5538 1 355 . 1 1 32 32 LYS HB3 H 1 2.02 0.005 . 2 . . . . . . . . 5538 1 356 . 1 1 32 32 LYS HG2 H 1 1.39 0.005 . 1 . . . . . . . . 5538 1 357 . 1 1 32 32 LYS HG3 H 1 1.39 0.005 . 1 . . . . . . . . 5538 1 358 . 1 1 32 32 LYS HD2 H 1 1.65 0.005 . 1 . . . . . . . . 5538 1 359 . 1 1 32 32 LYS HD3 H 1 1.65 0.005 . 1 . . . . . . . . 5538 1 360 . 1 1 32 32 LYS HE2 H 1 2.87 0.005 . 1 . . . . . . . . 5538 1 361 . 1 1 32 32 LYS HE3 H 1 2.87 0.005 . 1 . . . . . . . . 5538 1 362 . 1 1 32 32 LYS C C 13 175.41 0.1 . 1 . . . . . . . . 5538 1 363 . 1 1 32 32 LYS CA C 13 54.76 0.1 . 1 . . . . . . . . 5538 1 364 . 1 1 32 32 LYS CB C 13 31.85 0.1 . 1 . . . . . . . . 5538 1 365 . 1 1 32 32 LYS N N 15 120.32 0.1 . 1 . . . . . . . . 5538 1 366 . 1 1 33 33 MET H H 1 7.06 0.005 . 1 . . . . . . . . 5538 1 367 . 1 1 33 33 MET HA H 1 3.58 0.005 . 1 . . . . . . . . 5538 1 368 . 1 1 33 33 MET HB2 H 1 1.75 0.005 . 1 . . . . . . . . 5538 1 369 . 1 1 33 33 MET HB3 H 1 1.69 0.005 . 1 . . . . . . . . 5538 1 370 . 1 1 33 33 MET HG2 H 1 2.47 0.005 . 2 . . . . . . . . 5538 1 371 . 1 1 33 33 MET HG3 H 1 1.62 0.005 . 2 . . . . . . . . 5538 1 372 . 1 1 33 33 MET HE1 H 1 1.05 0.005 . 1 . . . . . . . . 5538 1 373 . 1 1 33 33 MET HE2 H 1 1.05 0.005 . 1 . . . . . . . . 5538 1 374 . 1 1 33 33 MET HE3 H 1 1.05 0.005 . 1 . . . . . . . . 5538 1 375 . 1 1 33 33 MET C C 13 175.89 0.1 . 1 . . . . . . . . 5538 1 376 . 1 1 33 33 MET CA C 13 54.76 0.1 . 1 . . . . . . . . 5538 1 377 . 1 1 33 33 MET CB C 13 35.82 0.1 . 1 . . . . . . . . 5538 1 378 . 1 1 33 33 MET CE C 13 16.17 0.1 . 1 . . . . . . . . 5538 1 379 . 1 1 33 33 MET N N 15 115.91 0.1 . 1 . . . . . . . . 5538 1 380 . 1 1 34 34 THR H H 1 7.93 0.005 . 1 . . . . . . . . 5538 1 381 . 1 1 34 34 THR HA H 1 4.23 0.005 . 1 . . . . . . . . 5538 1 382 . 1 1 34 34 THR HB H 1 4.59 0.005 . 1 . . . . . . . . 5538 1 383 . 1 1 34 34 THR HG21 H 1 1.40 0.005 . 1 . . . . . . . . 5538 1 384 . 1 1 34 34 THR HG22 H 1 1.40 0.005 . 1 . . . . . . . . 5538 1 385 . 1 1 34 34 THR HG23 H 1 1.40 0.005 . 1 . . . . . . . . 5538 1 386 . 1 1 34 34 THR C C 13 175.50 0.1 . 1 . . . . . . . . 5538 1 387 . 1 1 34 34 THR CA C 13 60.55 0.1 . 1 . . . . . . . . 5538 1 388 . 1 1 34 34 THR CB C 13 69.42 0.1 . 1 . . . . . . . . 5538 1 389 . 1 1 34 34 THR CG2 C 13 22.01 0.1 . 1 . . . . . . . . 5538 1 390 . 1 1 34 34 THR N N 15 122.23 0.1 . 1 . . . . . . . . 5538 1 391 . 1 1 35 35 SER H H 1 8.87 0.005 . 1 . . . . . . . . 5538 1 392 . 1 1 35 35 SER HA H 1 4.81 0.005 . 1 . . . . . . . . 5538 1 393 . 1 1 35 35 SER HB2 H 1 4.01 0.005 . 2 . . . . . . . . 5538 1 394 . 1 1 35 35 SER HB3 H 1 3.91 0.005 . 2 . . . . . . . . 5538 1 395 . 1 1 35 35 SER C C 13 176.81 0.1 . 1 . . . . . . . . 5538 1 396 . 1 1 35 35 SER CA C 13 57.64 0.1 . 1 . . . . . . . . 5538 1 397 . 1 1 35 35 SER CB C 13 61.77 0.1 . 1 . . . . . . . . 5538 1 398 . 1 1 35 35 SER N N 15 117.09 0.1 . 1 . . . . . . . . 5538 1 399 . 1 1 36 36 VAL H H 1 7.93 0.005 . 1 . . . . . . . . 5538 1 400 . 1 1 36 36 VAL HA H 1 3.72 0.005 . 1 . . . . . . . . 5538 1 401 . 1 1 36 36 VAL HB H 1 1.93 0.005 . 1 . . . . . . . . 5538 1 402 . 1 1 36 36 VAL HG11 H 1 0.89 0.005 . 1 . . . . . . . . 5538 1 403 . 1 1 36 36 VAL HG12 H 1 0.89 0.005 . 1 . . . . . . . . 5538 1 404 . 1 1 36 36 VAL HG13 H 1 0.89 0.005 . 1 . . . . . . . . 5538 1 405 . 1 1 36 36 VAL HG21 H 1 0.97 0.005 . 1 . . . . . . . . 5538 1 406 . 1 1 36 36 VAL HG22 H 1 0.97 0.005 . 1 . . . . . . . . 5538 1 407 . 1 1 36 36 VAL HG23 H 1 0.97 0.005 . 1 . . . . . . . . 5538 1 408 . 1 1 36 36 VAL C C 13 177.72 0.1 . 1 . . . . . . . . 5538 1 409 . 1 1 36 36 VAL CA C 13 64.96 0.1 . 1 . . . . . . . . 5538 1 410 . 1 1 36 36 VAL CB C 13 31.34 0.1 . 1 . . . . . . . . 5538 1 411 . 1 1 36 36 VAL CG1 C 13 19.95 0.1 . 1 . . . . . . . . 5538 1 412 . 1 1 36 36 VAL CG2 C 13 21.47 0.1 . 1 . . . . . . . . 5538 1 413 . 1 1 36 36 VAL N N 15 118.75 0.1 . 1 . . . . . . . . 5538 1 414 . 1 1 37 37 ALA H H 1 7.45 0.005 . 1 . . . . . . . . 5538 1 415 . 1 1 37 37 ALA HA H 1 4.20 0.005 . 1 . . . . . . . . 5538 1 416 . 1 1 37 37 ALA HB1 H 1 1.12 0.005 . 1 . . . . . . . . 5538 1 417 . 1 1 37 37 ALA HB2 H 1 1.12 0.005 . 1 . . . . . . . . 5538 1 418 . 1 1 37 37 ALA HB3 H 1 1.12 0.005 . 1 . . . . . . . . 5538 1 419 . 1 1 37 37 ALA C C 13 181.27 0.1 . 1 . . . . . . . . 5538 1 420 . 1 1 37 37 ALA CA C 13 54.03 0.1 . 1 . . . . . . . . 5538 1 421 . 1 1 37 37 ALA CB C 13 19.08 0.1 . 1 . . . . . . . . 5538 1 422 . 1 1 37 37 ALA N N 15 123.01 0.1 . 1 . . . . . . . . 5538 1 423 . 1 1 38 38 ARG H H 1 8.51 0.005 . 1 . . . . . . . . 5538 1 424 . 1 1 38 38 ARG HA H 1 4.19 0.005 . 1 . . . . . . . . 5538 1 425 . 1 1 38 38 ARG HB2 H 1 1.94 0.005 . 1 . . . . . . . . 5538 1 426 . 1 1 38 38 ARG HB3 H 1 1.94 0.005 . 1 . . . . . . . . 5538 1 427 . 1 1 38 38 ARG HG2 H 1 1.62 0.005 . 2 . . . . . . . . 5538 1 428 . 1 1 38 38 ARG HG3 H 1 1.75 0.005 . 2 . . . . . . . . 5538 1 429 . 1 1 38 38 ARG HD2 H 1 3.19 0.005 . 1 . . . . . . . . 5538 1 430 . 1 1 38 38 ARG HD3 H 1 3.19 0.005 . 1 . . . . . . . . 5538 1 431 . 1 1 38 38 ARG HE H 1 7.14 0.005 . 1 . . . . . . . . 5538 1 432 . 1 1 38 38 ARG C C 13 178.68 0.1 . 1 . . . . . . . . 5538 1 433 . 1 1 38 38 ARG CA C 13 59.72 0.1 . 1 . . . . . . . . 5538 1 434 . 1 1 38 38 ARG CB C 13 29.68 0.1 . 1 . . . . . . . . 5538 1 435 . 1 1 38 38 ARG N N 15 120.32 0.1 . 1 . . . . . . . . 5538 1 436 . 1 1 39 39 LYS H H 1 7.84 0.005 . 1 . . . . . . . . 5538 1 437 . 1 1 39 39 LYS HA H 1 4.15 0.005 . 1 . . . . . . . . 5538 1 438 . 1 1 39 39 LYS HB2 H 1 1.81 0.005 . 2 . . . . . . . . 5538 1 439 . 1 1 39 39 LYS HB3 H 1 1.92 0.005 . 2 . . . . . . . . 5538 1 440 . 1 1 39 39 LYS HG2 H 1 1.57 0.005 . 2 . . . . . . . . 5538 1 441 . 1 1 39 39 LYS HG3 H 1 1.45 0.005 . 2 . . . . . . . . 5538 1 442 . 1 1 39 39 LYS HD2 H 1 1.61 0.005 . 1 . . . . . . . . 5538 1 443 . 1 1 39 39 LYS HD3 H 1 1.61 0.005 . 1 . . . . . . . . 5538 1 444 . 1 1 39 39 LYS HE2 H 1 2.91 0.005 . 1 . . . . . . . . 5538 1 445 . 1 1 39 39 LYS HE3 H 1 2.91 0.005 . 1 . . . . . . . . 5538 1 446 . 1 1 39 39 LYS C C 13 176.68 0.1 . 1 . . . . . . . . 5538 1 447 . 1 1 39 39 LYS CA C 13 56.99 0.1 . 1 . . . . . . . . 5538 1 448 . 1 1 39 39 LYS CB C 13 32.11 0.1 . 1 . . . . . . . . 5538 1 449 . 1 1 39 39 LYS N N 15 117.23 0.1 . 1 . . . . . . . . 5538 1 450 . 1 1 40 40 SER H H 1 7.52 0.005 . 1 . . . . . . . . 5538 1 451 . 1 1 40 40 SER HA H 1 4.34 0.005 . 1 . . . . . . . . 5538 1 452 . 1 1 40 40 SER HB2 H 1 4.07 0.005 . 2 . . . . . . . . 5538 1 453 . 1 1 40 40 SER HB3 H 1 3.96 0.005 . 2 . . . . . . . . 5538 1 454 . 1 1 40 40 SER CA C 13 57.72 0.1 . 1 . . . . . . . . 5538 1 455 . 1 1 40 40 SER CB C 13 62.99 0.1 . 1 . . . . . . . . 5538 1 456 . 1 1 40 40 SER N N 15 114.31 0.1 . 1 . . . . . . . . 5538 1 457 . 1 1 41 41 LYS H H 1 6.84 0.005 . 1 . . . . . . . . 5538 1 458 . 1 1 41 41 LYS HA H 1 2.01 0.005 . 1 . . . . . . . . 5538 1 459 . 1 1 41 41 LYS HB2 H 1 0.77 0.005 . 1 . . . . . . . . 5538 1 460 . 1 1 41 41 LYS HB3 H 1 1.00 0.005 . 1 . . . . . . . . 5538 1 461 . 1 1 41 41 LYS HG2 H 1 0.54 0.005 . 1 . . . . . . . . 5538 1 462 . 1 1 41 41 LYS HG3 H 1 -0.80 0.005 . 1 . . . . . . . . 5538 1 463 . 1 1 41 41 LYS HD2 H 1 1.16 0.005 . 2 . . . . . . . . 5538 1 464 . 1 1 41 41 LYS HD3 H 1 1.08 0.005 . 2 . . . . . . . . 5538 1 465 . 1 1 41 41 LYS HE2 H 1 2.59 0.005 . 1 . . . . . . . . 5538 1 466 . 1 1 41 41 LYS HE3 H 1 2.59 0.005 . 1 . . . . . . . . 5538 1 467 . 1 1 41 41 LYS N N 15 125.57 0.1 . 1 . . . . . . . . 5538 1 468 . 1 1 42 42 PRO HA H 1 3.83 0.005 . 1 . . . . . . . . 5538 1 469 . 1 1 42 42 PRO HB2 H 1 0.72 0.005 . 2 . . . . . . . . 5538 1 470 . 1 1 42 42 PRO HB3 H 1 1.68 0.005 . 2 . . . . . . . . 5538 1 471 . 1 1 42 42 PRO HG2 H 1 0.66 0.005 . 2 . . . . . . . . 5538 1 472 . 1 1 42 42 PRO HG3 H 1 1.27 0.005 . 2 . . . . . . . . 5538 1 473 . 1 1 42 42 PRO HD2 H 1 2.09 0.005 . 2 . . . . . . . . 5538 1 474 . 1 1 42 42 PRO HD3 H 1 3.06 0.005 . 2 . . . . . . . . 5538 1 475 . 1 1 42 42 PRO C C 13 174.39 0.1 . 1 . . . . . . . . 5538 1 476 . 1 1 42 42 PRO CA C 13 62.62 0.1 . 1 . . . . . . . . 5538 1 477 . 1 1 42 42 PRO CB C 13 31.66 0.1 . 1 . . . . . . . . 5538 1 478 . 1 1 43 43 LYS H H 1 8.32 0.005 . 1 . . . . . . . . 5538 1 479 . 1 1 43 43 LYS HA H 1 4.20 0.005 . 1 . . . . . . . . 5538 1 480 . 1 1 43 43 LYS HB2 H 1 1.77 0.005 . 2 . . . . . . . . 5538 1 481 . 1 1 43 43 LYS HB3 H 1 1.54 0.005 . 2 . . . . . . . . 5538 1 482 . 1 1 43 43 LYS HG2 H 1 1.26 0.005 . 2 . . . . . . . . 5538 1 483 . 1 1 43 43 LYS HG3 H 1 1.36 0.005 . 2 . . . . . . . . 5538 1 484 . 1 1 43 43 LYS HD2 H 1 1.56 0.005 . 1 . . . . . . . . 5538 1 485 . 1 1 43 43 LYS HD3 H 1 1.56 0.005 . 1 . . . . . . . . 5538 1 486 . 1 1 43 43 LYS HE2 H 1 2.90 0.005 . 1 . . . . . . . . 5538 1 487 . 1 1 43 43 LYS HE3 H 1 2.90 0.005 . 1 . . . . . . . . 5538 1 488 . 1 1 43 43 LYS C C 13 176.40 0.1 . 1 . . . . . . . . 5538 1 489 . 1 1 43 43 LYS CA C 13 54.70 0.1 . 1 . . . . . . . . 5538 1 490 . 1 1 43 43 LYS CB C 13 31.43 0.1 . 1 . . . . . . . . 5538 1 491 . 1 1 43 43 LYS N N 15 122.77 0.1 . 1 . . . . . . . . 5538 1 492 . 1 1 44 44 ARG H H 1 7.06 0.005 . 1 . . . . . . . . 5538 1 493 . 1 1 44 44 ARG HA H 1 4.35 0.005 . 1 . . . . . . . . 5538 1 494 . 1 1 44 44 ARG HB2 H 1 1.85 0.005 . 2 . . . . . . . . 5538 1 495 . 1 1 44 44 ARG HB3 H 1 1.79 0.005 . 2 . . . . . . . . 5538 1 496 . 1 1 44 44 ARG HG2 H 1 1.52 0.005 . 2 . . . . . . . . 5538 1 497 . 1 1 44 44 ARG HG3 H 1 1.42 0.005 . 2 . . . . . . . . 5538 1 498 . 1 1 44 44 ARG HD2 H 1 3.19 0.005 . 2 . . . . . . . . 5538 1 499 . 1 1 44 44 ARG HD3 H 1 3.15 0.005 . 2 . . . . . . . . 5538 1 500 . 1 1 44 44 ARG HE H 1 7.38 0.005 . 1 . . . . . . . . 5538 1 501 . 1 1 44 44 ARG C C 13 173.91 0.1 . 1 . . . . . . . . 5538 1 502 . 1 1 44 44 ARG CA C 13 54.08 0.1 . 1 . . . . . . . . 5538 1 503 . 1 1 44 44 ARG CB C 13 30.90 0.1 . 1 . . . . . . . . 5538 1 504 . 1 1 44 44 ARG N N 15 117.73 0.1 . 1 . . . . . . . . 5538 1 505 . 1 1 45 45 ALA H H 1 8.31 0.005 . 1 . . . . . . . . 5538 1 506 . 1 1 45 45 ALA HA H 1 4.25 0.005 . 1 . . . . . . . . 5538 1 507 . 1 1 45 45 ALA HB1 H 1 1.36 0.005 . 1 . . . . . . . . 5538 1 508 . 1 1 45 45 ALA HB2 H 1 1.36 0.005 . 1 . . . . . . . . 5538 1 509 . 1 1 45 45 ALA HB3 H 1 1.36 0.005 . 1 . . . . . . . . 5538 1 510 . 1 1 45 45 ALA C C 13 177.39 0.1 . 1 . . . . . . . . 5538 1 511 . 1 1 45 45 ALA CA C 13 52.35 0.1 . 1 . . . . . . . . 5538 1 512 . 1 1 45 45 ALA CB C 13 18.68 0.1 . 1 . . . . . . . . 5538 1 513 . 1 1 45 45 ALA N N 15 122.20 0.1 . 1 . . . . . . . . 5538 1 514 . 1 1 46 46 GLY H H 1 8.27 0.005 . 1 . . . . . . . . 5538 1 515 . 1 1 46 46 GLY HA2 H 1 3.63 0.005 . 1 . . . . . . . . 5538 1 516 . 1 1 46 46 GLY HA3 H 1 4.14 0.005 . 1 . . . . . . . . 5538 1 517 . 1 1 46 46 GLY C C 13 172.64 0.1 . 1 . . . . . . . . 5538 1 518 . 1 1 46 46 GLY CA C 13 43.44 0.1 . 1 . . . . . . . . 5538 1 519 . 1 1 46 46 GLY N N 15 108.35 0.1 . 1 . . . . . . . . 5538 1 520 . 1 1 47 47 THR H H 1 8.14 0.005 . 1 . . . . . . . . 5538 1 521 . 1 1 47 47 THR HA H 1 4.26 0.005 . 1 . . . . . . . . 5538 1 522 . 1 1 47 47 THR HB H 1 3.83 0.005 . 1 . . . . . . . . 5538 1 523 . 1 1 47 47 THR HG21 H 1 0.94 0.005 . 1 . . . . . . . . 5538 1 524 . 1 1 47 47 THR HG22 H 1 0.94 0.005 . 1 . . . . . . . . 5538 1 525 . 1 1 47 47 THR HG23 H 1 0.94 0.005 . 1 . . . . . . . . 5538 1 526 . 1 1 47 47 THR C C 13 173.01 0.1 . 1 . . . . . . . . 5538 1 527 . 1 1 47 47 THR CA C 13 61.60 0.1 . 1 . . . . . . . . 5538 1 528 . 1 1 47 47 THR CB C 13 68.91 0.1 . 1 . . . . . . . . 5538 1 529 . 1 1 47 47 THR CG2 C 13 20.79 0.1 . 1 . . . . . . . . 5538 1 530 . 1 1 47 47 THR N N 15 116.69 0.1 . 1 . . . . . . . . 5538 1 531 . 1 1 48 48 PHE H H 1 8.54 0.005 . 1 . . . . . . . . 5538 1 532 . 1 1 48 48 PHE HA H 1 4.96 0.005 . 1 . . . . . . . . 5538 1 533 . 1 1 48 48 PHE HB2 H 1 2.66 0.005 . 1 . . . . . . . . 5538 1 534 . 1 1 48 48 PHE HB3 H 1 2.98 0.005 . 1 . . . . . . . . 5538 1 535 . 1 1 48 48 PHE HD1 H 1 6.88 0.005 . 1 . . . . . . . . 5538 1 536 . 1 1 48 48 PHE HD2 H 1 6.88 0.005 . 1 . . . . . . . . 5538 1 537 . 1 1 48 48 PHE HE1 H 1 7.12 0.005 . 1 . . . . . . . . 5538 1 538 . 1 1 48 48 PHE HE2 H 1 7.12 0.005 . 1 . . . . . . . . 5538 1 539 . 1 1 48 48 PHE HZ H 1 7.01 0.005 . 1 . . . . . . . . 5538 1 540 . 1 1 48 48 PHE C C 13 173.95 0.1 . 1 . . . . . . . . 5538 1 541 . 1 1 48 48 PHE CA C 13 55.86 0.1 . 1 . . . . . . . . 5538 1 542 . 1 1 48 48 PHE CB C 13 42.93 0.1 . 1 . . . . . . . . 5538 1 543 . 1 1 48 48 PHE N N 15 125.03 0.1 . 1 . . . . . . . . 5538 1 544 . 1 1 49 49 TYR H H 1 9.69 0.005 . 1 . . . . . . . . 5538 1 545 . 1 1 49 49 TYR HA H 1 5.01 0.005 . 1 . . . . . . . . 5538 1 546 . 1 1 49 49 TYR HB2 H 1 2.37 0.005 . 1 . . . . . . . . 5538 1 547 . 1 1 49 49 TYR HB3 H 1 2.63 0.005 . 1 . . . . . . . . 5538 1 548 . 1 1 49 49 TYR HD1 H 1 6.97 0.005 . 1 . . . . . . . . 5538 1 549 . 1 1 49 49 TYR HD2 H 1 6.97 0.005 . 1 . . . . . . . . 5538 1 550 . 1 1 49 49 TYR HE1 H 1 6.87 0.005 . 1 . . . . . . . . 5538 1 551 . 1 1 49 49 TYR HE2 H 1 6.87 0.005 . 1 . . . . . . . . 5538 1 552 . 1 1 49 49 TYR C C 13 172.37 0.1 . 1 . . . . . . . . 5538 1 553 . 1 1 49 49 TYR CA C 13 54.85 0.1 . 1 . . . . . . . . 5538 1 554 . 1 1 49 49 TYR N N 15 119.81 0.1 . 1 . . . . . . . . 5538 1 555 . 1 1 50 50 PRO HA H 1 4.28 0.005 . 1 . . . . . . . . 5538 1 556 . 1 1 50 50 PRO HB2 H 1 0.89 0.005 . 1 . . . . . . . . 5538 1 557 . 1 1 50 50 PRO HB3 H 1 -0.39 0.005 . 1 . . . . . . . . 5538 1 558 . 1 1 50 50 PRO HG2 H 1 2.10 0.005 . 1 . . . . . . . . 5538 1 559 . 1 1 50 50 PRO HG3 H 1 1.39 0.005 . 1 . . . . . . . . 5538 1 560 . 1 1 50 50 PRO HD2 H 1 3.80 0.005 . 2 . . . . . . . . 5538 1 561 . 1 1 50 50 PRO HD3 H 1 3.89 0.005 . 2 . . . . . . . . 5538 1 562 . 1 1 50 50 PRO C C 13 175.54 0.1 . 1 . . . . . . . . 5538 1 563 . 1 1 50 50 PRO CA C 13 60.30 0.1 . 1 . . . . . . . . 5538 1 564 . 1 1 51 51 VAL H H 1 8.79 0.005 . 1 . . . . . . . . 5538 1 565 . 1 1 51 51 VAL HA H 1 5.06 0.005 . 1 . . . . . . . . 5538 1 566 . 1 1 51 51 VAL HB H 1 1.43 0.005 . 1 . . . . . . . . 5538 1 567 . 1 1 51 51 VAL HG11 H 1 0.42 0.005 . 1 . . . . . . . . 5538 1 568 . 1 1 51 51 VAL HG12 H 1 0.42 0.005 . 1 . . . . . . . . 5538 1 569 . 1 1 51 51 VAL HG13 H 1 0.42 0.005 . 1 . . . . . . . . 5538 1 570 . 1 1 51 51 VAL HG21 H 1 0.48 0.005 . 1 . . . . . . . . 5538 1 571 . 1 1 51 51 VAL HG22 H 1 0.48 0.005 . 1 . . . . . . . . 5538 1 572 . 1 1 51 51 VAL HG23 H 1 0.48 0.005 . 1 . . . . . . . . 5538 1 573 . 1 1 51 51 VAL C C 13 173.53 0.1 . 1 . . . . . . . . 5538 1 574 . 1 1 51 51 VAL CA C 13 57.49 0.1 . 1 . . . . . . . . 5538 1 575 . 1 1 51 51 VAL CB C 13 35.60 0.1 . 1 . . . . . . . . 5538 1 576 . 1 1 51 51 VAL CG1 C 13 20.60 0.1 . 1 . . . . . . . . 5538 1 577 . 1 1 51 51 VAL CG2 C 13 18.25 0.1 . 1 . . . . . . . . 5538 1 578 . 1 1 51 51 VAL N N 15 117.39 0.1 . 1 . . . . . . . . 5538 1 579 . 1 1 52 52 ILE H H 1 8.45 0.005 . 1 . . . . . . . . 5538 1 580 . 1 1 52 52 ILE HA H 1 4.76 0.005 . 1 . . . . . . . . 5538 1 581 . 1 1 52 52 ILE HB H 1 1.06 0.005 . 1 . . . . . . . . 5538 1 582 . 1 1 52 52 ILE HG12 H 1 0.36 0.005 . 2 . . . . . . . . 5538 1 583 . 1 1 52 52 ILE HG13 H 1 0.41 0.005 . 2 . . . . . . . . 5538 1 584 . 1 1 52 52 ILE HG21 H 1 0.42 0.005 . 1 . . . . . . . . 5538 1 585 . 1 1 52 52 ILE HG22 H 1 0.42 0.005 . 1 . . . . . . . . 5538 1 586 . 1 1 52 52 ILE HG23 H 1 0.42 0.005 . 1 . . . . . . . . 5538 1 587 . 1 1 52 52 ILE HD11 H 1 0.48 0.005 . 1 . . . . . . . . 5538 1 588 . 1 1 52 52 ILE HD12 H 1 0.48 0.005 . 1 . . . . . . . . 5538 1 589 . 1 1 52 52 ILE HD13 H 1 0.48 0.005 . 1 . . . . . . . . 5538 1 590 . 1 1 52 52 ILE C C 13 173.16 0.1 . 1 . . . . . . . . 5538 1 591 . 1 1 52 52 ILE CA C 13 56.37 0.1 . 1 . . . . . . . . 5538 1 592 . 1 1 52 52 ILE CB C 13 41.49 0.1 . 1 . . . . . . . . 5538 1 593 . 1 1 52 52 ILE CG2 C 13 15.76 0.1 . 1 . . . . . . . . 5538 1 594 . 1 1 52 52 ILE CD1 C 13 14.21 0.1 . 1 . . . . . . . . 5538 1 595 . 1 1 52 52 ILE N N 15 119.42 0.1 . 1 . . . . . . . . 5538 1 596 . 1 1 53 53 PHE H H 1 8.61 0.005 . 1 . . . . . . . . 5538 1 597 . 1 1 53 53 PHE HA H 1 4.17 0.005 . 1 . . . . . . . . 5538 1 598 . 1 1 53 53 PHE HB2 H 1 2.74 0.005 . 2 . . . . . . . . 5538 1 599 . 1 1 53 53 PHE HB3 H 1 2.79 0.005 . 2 . . . . . . . . 5538 1 600 . 1 1 53 53 PHE HD1 H 1 6.85 0.005 . 1 . . . . . . . . 5538 1 601 . 1 1 53 53 PHE HD2 H 1 6.85 0.005 . 1 . . . . . . . . 5538 1 602 . 1 1 53 53 PHE HE1 H 1 6.88 0.005 . 1 . . . . . . . . 5538 1 603 . 1 1 53 53 PHE HE2 H 1 6.88 0.005 . 1 . . . . . . . . 5538 1 604 . 1 1 53 53 PHE HZ H 1 6.77 0.005 . 1 . . . . . . . . 5538 1 605 . 1 1 53 53 PHE C C 13 175.53 0.1 . 1 . . . . . . . . 5538 1 606 . 1 1 53 53 PHE CA C 13 56.76 0.1 . 1 . . . . . . . . 5538 1 607 . 1 1 53 53 PHE CB C 13 40.57 0.1 . 1 . . . . . . . . 5538 1 608 . 1 1 53 53 PHE N N 15 123.71 0.1 . 1 . . . . . . . . 5538 1 609 . 1 1 54 54 PHE H H 1 7.65 0.005 . 1 . . . . . . . . 5538 1 610 . 1 1 54 54 PHE HA H 1 5.08 0.005 . 1 . . . . . . . . 5538 1 611 . 1 1 54 54 PHE HB2 H 1 2.66 0.005 . 1 . . . . . . . . 5538 1 612 . 1 1 54 54 PHE HB3 H 1 3.27 0.005 . 1 . . . . . . . . 5538 1 613 . 1 1 54 54 PHE HD1 H 1 6.88 0.005 . 1 . . . . . . . . 5538 1 614 . 1 1 54 54 PHE HD2 H 1 6.88 0.005 . 1 . . . . . . . . 5538 1 615 . 1 1 54 54 PHE HE1 H 1 6.95 0.005 . 1 . . . . . . . . 5538 1 616 . 1 1 54 54 PHE HE2 H 1 6.95 0.005 . 1 . . . . . . . . 5538 1 617 . 1 1 54 54 PHE HZ H 1 7.01 0.005 . 1 . . . . . . . . 5538 1 618 . 1 1 54 54 PHE C C 13 173.94 0.1 . 1 . . . . . . . . 5538 1 619 . 1 1 54 54 PHE CA C 13 52.43 0.1 . 1 . . . . . . . . 5538 1 620 . 1 1 54 54 PHE CB C 13 40.13 0.1 . 1 . . . . . . . . 5538 1 621 . 1 1 54 54 PHE N N 15 117.80 0.1 . 1 . . . . . . . . 5538 1 622 . 1 1 55 55 PRO HA H 1 5.52 0.005 . 1 . . . . . . . . 5538 1 623 . 1 1 55 55 PRO HB2 H 1 2.41 0.005 . 2 . . . . . . . . 5538 1 624 . 1 1 55 55 PRO HB3 H 1 1.87 0.005 . 2 . . . . . . . . 5538 1 625 . 1 1 55 55 PRO HG2 H 1 1.96 0.005 . 2 . . . . . . . . 5538 1 626 . 1 1 55 55 PRO HG3 H 1 2.00 0.005 . 2 . . . . . . . . 5538 1 627 . 1 1 55 55 PRO HD2 H 1 3.95 0.005 . 1 . . . . . . . . 5538 1 628 . 1 1 55 55 PRO HD3 H 1 3.78 0.005 . 1 . . . . . . . . 5538 1 629 . 1 1 55 55 PRO C C 13 175.83 0.1 . 1 . . . . . . . . 5538 1 630 . 1 1 55 55 PRO CA C 13 63.03 0.1 . 1 . . . . . . . . 5538 1 631 . 1 1 55 55 PRO CB C 13 34.76 0.1 . 1 . . . . . . . . 5538 1 632 . 1 1 56 56 ASN H H 1 9.23 0.005 . 1 . . . . . . . . 5538 1 633 . 1 1 56 56 ASN HA H 1 4.67 0.005 . 1 . . . . . . . . 5538 1 634 . 1 1 56 56 ASN HB2 H 1 2.91 0.005 . 1 . . . . . . . . 5538 1 635 . 1 1 56 56 ASN HB3 H 1 2.79 0.005 . 1 . . . . . . . . 5538 1 636 . 1 1 56 56 ASN HD21 H 1 7.80 0.005 . 2 . . . . . . . . 5538 1 637 . 1 1 56 56 ASN HD22 H 1 6.88 0.005 . 2 . . . . . . . . 5538 1 638 . 1 1 56 56 ASN C C 13 174.94 0.1 . 1 . . . . . . . . 5538 1 639 . 1 1 56 56 ASN CA C 13 54.20 0.1 . 1 . . . . . . . . 5538 1 640 . 1 1 56 56 ASN CB C 13 37.52 0.1 . 1 . . . . . . . . 5538 1 641 . 1 1 56 56 ASN N N 15 121.04 0.1 . 1 . . . . . . . . 5538 1 642 . 1 1 56 56 ASN ND2 N 15 114.07 0.1 . 1 . . . . . . . . 5538 1 643 . 1 1 57 57 LYS H H 1 8.19 0.005 . 1 . . . . . . . . 5538 1 644 . 1 1 57 57 LYS HA H 1 3.90 0.005 . 1 . . . . . . . . 5538 1 645 . 1 1 57 57 LYS HB2 H 1 1.79 0.005 . 2 . . . . . . . . 5538 1 646 . 1 1 57 57 LYS HB3 H 1 2.02 0.005 . 2 . . . . . . . . 5538 1 647 . 1 1 57 57 LYS HG2 H 1 0.96 0.005 . 2 . . . . . . . . 5538 1 648 . 1 1 57 57 LYS HG3 H 1 0.47 0.005 . 2 . . . . . . . . 5538 1 649 . 1 1 57 57 LYS HD2 H 1 1.40 0.005 . 1 . . . . . . . . 5538 1 650 . 1 1 57 57 LYS HD3 H 1 1.40 0.005 . 1 . . . . . . . . 5538 1 651 . 1 1 57 57 LYS HE2 H 1 2.96 0.005 . 1 . . . . . . . . 5538 1 652 . 1 1 57 57 LYS HE3 H 1 2.89 0.005 . 1 . . . . . . . . 5538 1 653 . 1 1 57 57 LYS C C 13 174.23 0.1 . 1 . . . . . . . . 5538 1 654 . 1 1 57 57 LYS CA C 13 57.25 0.1 . 1 . . . . . . . . 5538 1 655 . 1 1 57 57 LYS CB C 13 27.86 0.1 . 1 . . . . . . . . 5538 1 656 . 1 1 57 57 LYS N N 15 113.56 0.1 . 1 . . . . . . . . 5538 1 657 . 1 1 58 58 GLU H H 1 7.95 0.005 . 1 . . . . . . . . 5538 1 658 . 1 1 58 58 GLU HA H 1 4.22 0.005 . 1 . . . . . . . . 5538 1 659 . 1 1 58 58 GLU HB2 H 1 1.78 0.005 . 2 . . . . . . . . 5538 1 660 . 1 1 58 58 GLU HB3 H 1 1.62 0.005 . 2 . . . . . . . . 5538 1 661 . 1 1 58 58 GLU HG2 H 1 1.98 0.005 . 2 . . . . . . . . 5538 1 662 . 1 1 58 58 GLU HG3 H 1 2.06 0.005 . 2 . . . . . . . . 5538 1 663 . 1 1 58 58 GLU C C 13 175.06 0.1 . 1 . . . . . . . . 5538 1 664 . 1 1 58 58 GLU CA C 13 56.02 0.1 . 1 . . . . . . . . 5538 1 665 . 1 1 58 58 GLU CB C 13 29.05 0.1 . 1 . . . . . . . . 5538 1 666 . 1 1 58 58 GLU N N 15 116.11 0.1 . 1 . . . . . . . . 5538 1 667 . 1 1 59 59 TYR H H 1 8.24 0.005 . 1 . . . . . . . . 5538 1 668 . 1 1 59 59 TYR HA H 1 5.58 0.005 . 1 . . . . . . . . 5538 1 669 . 1 1 59 59 TYR HB2 H 1 2.55 0.005 . 1 . . . . . . . . 5538 1 670 . 1 1 59 59 TYR HB3 H 1 2.52 0.005 . 1 . . . . . . . . 5538 1 671 . 1 1 59 59 TYR HD1 H 1 6.89 0.005 . 1 . . . . . . . . 5538 1 672 . 1 1 59 59 TYR HD2 H 1 6.89 0.005 . 1 . . . . . . . . 5538 1 673 . 1 1 59 59 TYR HE1 H 1 6.66 0.005 . 1 . . . . . . . . 5538 1 674 . 1 1 59 59 TYR HE2 H 1 6.66 0.005 . 1 . . . . . . . . 5538 1 675 . 1 1 59 59 TYR C C 13 176.28 0.1 . 1 . . . . . . . . 5538 1 676 . 1 1 59 59 TYR CA C 13 56.12 0.1 . 1 . . . . . . . . 5538 1 677 . 1 1 59 59 TYR CB C 13 41.92 0.1 . 1 . . . . . . . . 5538 1 678 . 1 1 59 59 TYR N N 15 116.88 0.1 . 1 . . . . . . . . 5538 1 679 . 1 1 60 60 LEU H H 1 8.79 0.005 . 1 . . . . . . . . 5538 1 680 . 1 1 60 60 LEU HA H 1 4.46 0.005 . 1 . . . . . . . . 5538 1 681 . 1 1 60 60 LEU HB2 H 1 1.39 0.005 . 1 . . . . . . . . 5538 1 682 . 1 1 60 60 LEU HB3 H 1 1.54 0.005 . 1 . . . . . . . . 5538 1 683 . 1 1 60 60 LEU HG H 1 1.38 0.005 . 1 . . . . . . . . 5538 1 684 . 1 1 60 60 LEU HD11 H 1 0.78 0.005 . 1 . . . . . . . . 5538 1 685 . 1 1 60 60 LEU HD12 H 1 0.78 0.005 . 1 . . . . . . . . 5538 1 686 . 1 1 60 60 LEU HD13 H 1 0.78 0.005 . 1 . . . . . . . . 5538 1 687 . 1 1 60 60 LEU HD21 H 1 0.72 0.005 . 1 . . . . . . . . 5538 1 688 . 1 1 60 60 LEU HD22 H 1 0.72 0.005 . 1 . . . . . . . . 5538 1 689 . 1 1 60 60 LEU HD23 H 1 0.72 0.005 . 1 . . . . . . . . 5538 1 690 . 1 1 60 60 LEU C C 13 174.37 0.1 . 1 . . . . . . . . 5538 1 691 . 1 1 60 60 LEU CA C 13 53.98 0.1 . 1 . . . . . . . . 5538 1 692 . 1 1 60 60 LEU CB C 13 47.15 0.1 . 1 . . . . . . . . 5538 1 693 . 1 1 60 60 LEU CD1 C 13 23.26 0.1 . 1 . . . . . . . . 5538 1 694 . 1 1 60 60 LEU CD2 C 13 25.48 0.1 . 1 . . . . . . . . 5538 1 695 . 1 1 60 60 LEU N N 15 121.41 0.1 . 1 . . . . . . . . 5538 1 696 . 1 1 61 61 TRP H H 1 8.31 0.005 . 1 . . . . . . . . 5538 1 697 . 1 1 61 61 TRP HA H 1 5.14 0.005 . 1 . . . . . . . . 5538 1 698 . 1 1 61 61 TRP HB2 H 1 2.97 0.005 . 1 . . . . . . . . 5538 1 699 . 1 1 61 61 TRP HB3 H 1 2.64 0.005 . 1 . . . . . . . . 5538 1 700 . 1 1 61 61 TRP HD1 H 1 7.08 0.005 . 1 . . . . . . . . 5538 1 701 . 1 1 61 61 TRP HE1 H 1 9.59 0.005 . 1 . . . . . . . . 5538 1 702 . 1 1 61 61 TRP HE3 H 1 7.08 0.005 . 1 . . . . . . . . 5538 1 703 . 1 1 61 61 TRP HZ2 H 1 7.30 0.005 . 1 . . . . . . . . 5538 1 704 . 1 1 61 61 TRP HZ3 H 1 7.08 0.005 . 1 . . . . . . . . 5538 1 705 . 1 1 61 61 TRP HH2 H 1 7.25 0.005 . 1 . . . . . . . . 5538 1 706 . 1 1 61 61 TRP C C 13 176.06 0.1 . 1 . . . . . . . . 5538 1 707 . 1 1 61 61 TRP CA C 13 55.71 0.1 . 1 . . . . . . . . 5538 1 708 . 1 1 61 61 TRP CB C 13 30.03 0.1 . 1 . . . . . . . . 5538 1 709 . 1 1 61 61 TRP N N 15 121.98 0.1 . 1 . . . . . . . . 5538 1 710 . 1 1 61 61 TRP NE1 N 15 128.50 0.1 . 1 . . . . . . . . 5538 1 711 . 1 1 62 62 THR H H 1 9.39 0.005 . 1 . . . . . . . . 5538 1 712 . 1 1 62 62 THR HA H 1 5.02 0.005 . 1 . . . . . . . . 5538 1 713 . 1 1 62 62 THR HB H 1 3.74 0.005 . 1 . . . . . . . . 5538 1 714 . 1 1 62 62 THR HG21 H 1 1.14 0.005 . 1 . . . . . . . . 5538 1 715 . 1 1 62 62 THR HG22 H 1 1.14 0.005 . 1 . . . . . . . . 5538 1 716 . 1 1 62 62 THR HG23 H 1 1.14 0.005 . 1 . . . . . . . . 5538 1 717 . 1 1 62 62 THR C C 13 172.50 0.1 . 1 . . . . . . . . 5538 1 718 . 1 1 62 62 THR CA C 13 59.99 0.1 . 1 . . . . . . . . 5538 1 719 . 1 1 62 62 THR CB C 13 70.41 0.1 . 1 . . . . . . . . 5538 1 720 . 1 1 62 62 THR CG2 C 13 18.80 0.1 . 1 . . . . . . . . 5538 1 721 . 1 1 62 62 THR N N 15 118.11 0.1 . 1 . . . . . . . . 5538 1 722 . 1 1 63 63 GLY H H 1 8.80 0.005 . 1 . . . . . . . . 5538 1 723 . 1 1 63 63 GLY HA2 H 1 4.64 0.005 . 1 . . . . . . . . 5538 1 724 . 1 1 63 63 GLY HA3 H 1 3.93 0.005 . 1 . . . . . . . . 5538 1 725 . 1 1 63 63 GLY C C 13 175.87 0.1 . 1 . . . . . . . . 5538 1 726 . 1 1 63 63 GLY CA C 13 44.04 0.1 . 1 . . . . . . . . 5538 1 727 . 1 1 63 63 GLY N N 15 113.10 0.1 . 1 . . . . . . . . 5538 1 728 . 1 1 64 64 SER H H 1 8.98 0.005 . 1 . . . . . . . . 5538 1 729 . 1 1 64 64 SER HA H 1 3.96 0.005 . 1 . . . . . . . . 5538 1 730 . 1 1 64 64 SER HB2 H 1 4.06 0.005 . 2 . . . . . . . . 5538 1 731 . 1 1 64 64 SER HB3 H 1 4.30 0.005 . 2 . . . . . . . . 5538 1 732 . 1 1 64 64 SER C C 13 175.72 0.1 . 1 . . . . . . . . 5538 1 733 . 1 1 64 64 SER CA C 13 61.32 0.1 . 1 . . . . . . . . 5538 1 734 . 1 1 64 64 SER CB C 13 62.49 0.1 . 1 . . . . . . . . 5538 1 735 . 1 1 64 64 SER N N 15 115.02 0.1 . 1 . . . . . . . . 5538 1 736 . 1 1 65 65 ASP H H 1 8.83 0.005 . 1 . . . . . . . . 5538 1 737 . 1 1 65 65 ASP HA H 1 4.67 0.005 . 1 . . . . . . . . 5538 1 738 . 1 1 65 65 ASP HB2 H 1 2.81 0.005 . 1 . . . . . . . . 5538 1 739 . 1 1 65 65 ASP HB3 H 1 2.81 0.005 . 1 . . . . . . . . 5538 1 740 . 1 1 65 65 ASP C C 13 177.20 0.1 . 1 . . . . . . . . 5538 1 741 . 1 1 65 65 ASP CA C 13 55.16 0.1 . 1 . . . . . . . . 5538 1 742 . 1 1 65 65 ASP CB C 13 39.22 0.1 . 1 . . . . . . . . 5538 1 743 . 1 1 65 65 ASP N N 15 119.23 0.1 . 1 . . . . . . . . 5538 1 744 . 1 1 66 66 SER H H 1 7.75 0.005 . 1 . . . . . . . . 5538 1 745 . 1 1 66 66 SER HA H 1 4.59 0.005 . 1 . . . . . . . . 5538 1 746 . 1 1 66 66 SER HB2 H 1 4.08 0.005 . 2 . . . . . . . . 5538 1 747 . 1 1 66 66 SER HB3 H 1 4.26 0.005 . 2 . . . . . . . . 5538 1 748 . 1 1 66 66 SER C C 13 182.47 0.1 . 1 . . . . . . . . 5538 1 749 . 1 1 66 66 SER CA C 13 57.28 0.1 . 1 . . . . . . . . 5538 1 750 . 1 1 66 66 SER CB C 13 63.35 0.1 . 1 . . . . . . . . 5538 1 751 . 1 1 66 66 SER N N 15 115.63 0.1 . 1 . . . . . . . . 5538 1 752 . 1 1 67 67 LEU H H 1 7.25 0.005 . 1 . . . . . . . . 5538 1 753 . 1 1 67 67 LEU HA H 1 5.68 0.005 . 1 . . . . . . . . 5538 1 754 . 1 1 67 67 LEU HB2 H 1 1.30 0.005 . 1 . . . . . . . . 5538 1 755 . 1 1 67 67 LEU HB3 H 1 0.65 0.005 . 1 . . . . . . . . 5538 1 756 . 1 1 67 67 LEU HG H 1 1.28 0.005 . 1 . . . . . . . . 5538 1 757 . 1 1 67 67 LEU HD11 H 1 -0.29 0.005 . 1 . . . . . . . . 5538 1 758 . 1 1 67 67 LEU HD12 H 1 -0.29 0.005 . 1 . . . . . . . . 5538 1 759 . 1 1 67 67 LEU HD13 H 1 -0.29 0.005 . 1 . . . . . . . . 5538 1 760 . 1 1 67 67 LEU HD21 H 1 0.44 0.005 . 1 . . . . . . . . 5538 1 761 . 1 1 67 67 LEU HD22 H 1 0.44 0.005 . 1 . . . . . . . . 5538 1 762 . 1 1 67 67 LEU HD23 H 1 0.44 0.005 . 1 . . . . . . . . 5538 1 763 . 1 1 67 67 LEU C C 13 176.93 0.1 . 1 . . . . . . . . 5538 1 764 . 1 1 67 67 LEU CA C 13 63.35 0.1 . 1 . . . . . . . . 5538 1 765 . 1 1 67 67 LEU CB C 13 47.44 0.1 . 1 . . . . . . . . 5538 1 766 . 1 1 67 67 LEU CD1 C 13 24.54 0.1 . 1 . . . . . . . . 5538 1 767 . 1 1 67 67 LEU CD2 C 13 25.28 0.1 . 1 . . . . . . . . 5538 1 768 . 1 1 67 67 LEU N N 15 119.04 0.1 . 1 . . . . . . . . 5538 1 769 . 1 1 68 68 THR H H 1 8.25 0.005 . 1 . . . . . . . . 5538 1 770 . 1 1 68 68 THR HA H 1 5.09 0.005 . 1 . . . . . . . . 5538 1 771 . 1 1 68 68 THR HB H 1 3.80 0.005 . 1 . . . . . . . . 5538 1 772 . 1 1 68 68 THR HG21 H 1 0.71 0.005 . 1 . . . . . . . . 5538 1 773 . 1 1 68 68 THR HG22 H 1 0.71 0.005 . 1 . . . . . . . . 5538 1 774 . 1 1 68 68 THR HG23 H 1 0.71 0.005 . 1 . . . . . . . . 5538 1 775 . 1 1 68 68 THR C C 13 171.55 0.1 . 1 . . . . . . . . 5538 1 776 . 1 1 68 68 THR CA C 13 59.59 0.1 . 1 . . . . . . . . 5538 1 777 . 1 1 68 68 THR CB C 13 71.20 0.1 . 1 . . . . . . . . 5538 1 778 . 1 1 68 68 THR CG2 C 13 19.25 0.1 . 1 . . . . . . . . 5538 1 779 . 1 1 68 68 THR N N 15 113.02 0.1 . 1 . . . . . . . . 5538 1 780 . 1 1 69 69 PRO HA H 1 4.43 0.005 . 1 . . . . . . . . 5538 1 781 . 1 1 69 69 PRO HB2 H 1 2.35 0.005 . 2 . . . . . . . . 5538 1 782 . 1 1 69 69 PRO HB3 H 1 1.80 0.005 . 2 . . . . . . . . 5538 1 783 . 1 1 69 69 PRO HG2 H 1 2.06 0.005 . 2 . . . . . . . . 5538 1 784 . 1 1 69 69 PRO HG3 H 1 1.73 0.005 . 2 . . . . . . . . 5538 1 785 . 1 1 69 69 PRO HD2 H 1 3.67 0.005 . 1 . . . . . . . . 5538 1 786 . 1 1 69 69 PRO HD3 H 1 4.22 0.005 . 1 . . . . . . . . 5538 1 787 . 1 1 69 69 PRO C C 13 175.14 0.1 . 1 . . . . . . . . 5538 1 788 . 1 1 69 69 PRO CA C 13 63.83 0.1 . 1 . . . . . . . . 5538 1 789 . 1 1 69 69 PRO CB C 13 32.10 0.1 . 1 . . . . . . . . 5538 1 790 . 1 1 70 70 LEU H H 1 8.20 0.005 . 1 . . . . . . . . 5538 1 791 . 1 1 70 70 LEU HA H 1 4.77 0.005 . 1 . . . . . . . . 5538 1 792 . 1 1 70 70 LEU HB2 H 1 1.52 0.005 . 1 . . . . . . . . 5538 1 793 . 1 1 70 70 LEU HB3 H 1 1.52 0.005 . 1 . . . . . . . . 5538 1 794 . 1 1 70 70 LEU HG H 1 1.32 0.005 . 1 . . . . . . . . 5538 1 795 . 1 1 70 70 LEU HD11 H 1 0.91 0.005 . 1 . . . . . . . . 5538 1 796 . 1 1 70 70 LEU HD12 H 1 0.91 0.005 . 1 . . . . . . . . 5538 1 797 . 1 1 70 70 LEU HD13 H 1 0.91 0.005 . 1 . . . . . . . . 5538 1 798 . 1 1 70 70 LEU HD21 H 1 0.54 0.005 . 1 . . . . . . . . 5538 1 799 . 1 1 70 70 LEU HD22 H 1 0.54 0.005 . 1 . . . . . . . . 5538 1 800 . 1 1 70 70 LEU HD23 H 1 0.54 0.005 . 1 . . . . . . . . 5538 1 801 . 1 1 70 70 LEU C C 13 174.30 0.1 . 1 . . . . . . . . 5538 1 802 . 1 1 70 70 LEU CA C 13 52.29 0.1 . 1 . . . . . . . . 5538 1 803 . 1 1 70 70 LEU CB C 13 42.04 0.1 . 1 . . . . . . . . 5538 1 804 . 1 1 70 70 LEU CD1 C 13 22.09 0.1 . 1 . . . . . . . . 5538 1 805 . 1 1 70 70 LEU CD2 C 13 24.21 0.1 . 1 . . . . . . . . 5538 1 806 . 1 1 70 70 LEU N N 15 126.22 0.1 . 1 . . . . . . . . 5538 1 807 . 1 1 71 71 THR H H 1 7.89 0.005 . 1 . . . . . . . . 5538 1 808 . 1 1 71 71 THR HA H 1 4.55 0.005 . 1 . . . . . . . . 5538 1 809 . 1 1 71 71 THR HB H 1 4.79 0.005 . 1 . . . . . . . . 5538 1 810 . 1 1 71 71 THR HG21 H 1 1.25 0.005 . 1 . . . . . . . . 5538 1 811 . 1 1 71 71 THR HG22 H 1 1.25 0.005 . 1 . . . . . . . . 5538 1 812 . 1 1 71 71 THR HG23 H 1 1.25 0.005 . 1 . . . . . . . . 5538 1 813 . 1 1 71 71 THR C C 13 175.12 0.1 . 1 . . . . . . . . 5538 1 814 . 1 1 71 71 THR CA C 13 59.47 0.1 . 1 . . . . . . . . 5538 1 815 . 1 1 71 71 THR CB C 13 70.83 0.1 . 1 . . . . . . . . 5538 1 816 . 1 1 71 71 THR CG2 C 13 20.83 0.1 . 1 . . . . . . . . 5538 1 817 . 1 1 71 71 THR N N 15 116.19 0.1 . 1 . . . . . . . . 5538 1 818 . 1 1 72 72 SER H H 1 9.10 0.005 . 1 . . . . . . . . 5538 1 819 . 1 1 72 72 SER HA H 1 4.80 0.005 . 1 . . . . . . . . 5538 1 820 . 1 1 72 72 SER HB2 H 1 3.92 0.005 . 2 . . . . . . . . 5538 1 821 . 1 1 72 72 SER HB3 H 1 4.06 0.005 . 2 . . . . . . . . 5538 1 822 . 1 1 72 72 SER C C 13 177.29 0.1 . 1 . . . . . . . . 5538 1 823 . 1 1 72 72 SER CB C 13 61.91 0.1 . 1 . . . . . . . . 5538 1 824 . 1 1 72 72 SER N N 15 116.37 0.1 . 1 . . . . . . . . 5538 1 825 . 1 1 73 73 GLU H H 1 8.88 0.005 . 1 . . . . . . . . 5538 1 826 . 1 1 73 73 GLU HA H 1 4.05 0.005 . 1 . . . . . . . . 5538 1 827 . 1 1 73 73 GLU HB2 H 1 2.03 0.005 . 2 . . . . . . . . 5538 1 828 . 1 1 73 73 GLU HB3 H 1 1.87 0.005 . 2 . . . . . . . . 5538 1 829 . 1 1 73 73 GLU HG2 H 1 2.33 0.005 . 2 . . . . . . . . 5538 1 830 . 1 1 73 73 GLU HG3 H 1 2.23 0.005 . 2 . . . . . . . . 5538 1 831 . 1 1 73 73 GLU C C 13 177.97 0.1 . 1 . . . . . . . . 5538 1 832 . 1 1 73 73 GLU CA C 13 59.30 0.1 . 1 . . . . . . . . 5538 1 833 . 1 1 73 73 GLU CB C 13 28.30 0.1 . 1 . . . . . . . . 5538 1 834 . 1 1 73 73 GLU N N 15 121.86 0.1 . 1 . . . . . . . . 5538 1 835 . 1 1 74 74 ALA H H 1 8.05 0.005 . 1 . . . . . . . . 5538 1 836 . 1 1 74 74 ALA HA H 1 4.11 0.005 . 1 . . . . . . . . 5538 1 837 . 1 1 74 74 ALA HB1 H 1 1.54 0.005 . 1 . . . . . . . . 5538 1 838 . 1 1 74 74 ALA HB2 H 1 1.54 0.005 . 1 . . . . . . . . 5538 1 839 . 1 1 74 74 ALA HB3 H 1 1.54 0.005 . 1 . . . . . . . . 5538 1 840 . 1 1 74 74 ALA C C 13 181.86 0.1 . 1 . . . . . . . . 5538 1 841 . 1 1 74 74 ALA CA C 13 54.48 0.1 . 1 . . . . . . . . 5538 1 842 . 1 1 74 74 ALA CB C 13 18.67 0.1 . 1 . . . . . . . . 5538 1 843 . 1 1 74 74 ALA N N 15 123.01 0.1 . 1 . . . . . . . . 5538 1 844 . 1 1 75 75 ILE H H 1 8.05 0.005 . 1 . . . . . . . . 5538 1 845 . 1 1 75 75 ILE HA H 1 3.83 0.005 . 1 . . . . . . . . 5538 1 846 . 1 1 75 75 ILE HB H 1 2.12 0.005 . 1 . . . . . . . . 5538 1 847 . 1 1 75 75 ILE HG12 H 1 0.90 0.005 . 2 . . . . . . . . 5538 1 848 . 1 1 75 75 ILE HG13 H 1 0.87 0.005 . 2 . . . . . . . . 5538 1 849 . 1 1 75 75 ILE HG21 H 1 0.99 0.005 . 1 . . . . . . . . 5538 1 850 . 1 1 75 75 ILE HG22 H 1 0.99 0.005 . 1 . . . . . . . . 5538 1 851 . 1 1 75 75 ILE HG23 H 1 0.99 0.005 . 1 . . . . . . . . 5538 1 852 . 1 1 75 75 ILE HD11 H 1 0.62 0.005 . 1 . . . . . . . . 5538 1 853 . 1 1 75 75 ILE HD12 H 1 0.62 0.005 . 1 . . . . . . . . 5538 1 854 . 1 1 75 75 ILE HD13 H 1 0.62 0.005 . 1 . . . . . . . . 5538 1 855 . 1 1 75 75 ILE C C 13 176.90 0.1 . 1 . . . . . . . . 5538 1 856 . 1 1 75 75 ILE CA C 13 65.29 0.1 . 1 . . . . . . . . 5538 1 857 . 1 1 75 75 ILE CB C 13 37.56 0.1 . 1 . . . . . . . . 5538 1 858 . 1 1 75 75 ILE CG2 C 13 17.67 0.1 . 1 . . . . . . . . 5538 1 859 . 1 1 75 75 ILE CD1 C 13 13.54 0.1 . 1 . . . . . . . . 5538 1 860 . 1 1 75 75 ILE N N 15 119.74 0.1 . 1 . . . . . . . . 5538 1 861 . 1 1 76 76 SER H H 1 7.98 0.005 . 1 . . . . . . . . 5538 1 862 . 1 1 76 76 SER HA H 1 3.99 0.005 . 1 . . . . . . . . 5538 1 863 . 1 1 76 76 SER HB2 H 1 3.90 0.005 . 2 . . . . . . . . 5538 1 864 . 1 1 76 76 SER HB3 H 1 3.92 0.005 . 2 . . . . . . . . 5538 1 865 . 1 1 76 76 SER C C 13 177.14 0.1 . 1 . . . . . . . . 5538 1 866 . 1 1 76 76 SER CA C 13 61.52 0.1 . 1 . . . . . . . . 5538 1 867 . 1 1 76 76 SER CB C 13 61.89 0.1 . 1 . . . . . . . . 5538 1 868 . 1 1 76 76 SER N N 15 114.05 0.1 . 1 . . . . . . . . 5538 1 869 . 1 1 77 77 GLN H H 1 8.37 0.005 . 1 . . . . . . . . 5538 1 870 . 1 1 77 77 GLN HA H 1 3.90 0.005 . 1 . . . . . . . . 5538 1 871 . 1 1 77 77 GLN HB2 H 1 1.96 0.005 . 2 . . . . . . . . 5538 1 872 . 1 1 77 77 GLN HB3 H 1 2.04 0.005 . 2 . . . . . . . . 5538 1 873 . 1 1 77 77 GLN HG2 H 1 2.32 0.005 . 2 . . . . . . . . 5538 1 874 . 1 1 77 77 GLN HG3 H 1 2.47 0.005 . 2 . . . . . . . . 5538 1 875 . 1 1 77 77 GLN HE21 H 1 6.75 0.005 . 2 . . . . . . . . 5538 1 876 . 1 1 77 77 GLN HE22 H 1 7.47 0.005 . 2 . . . . . . . . 5538 1 877 . 1 1 77 77 GLN C C 13 178.46 0.1 . 1 . . . . . . . . 5538 1 878 . 1 1 77 77 GLN CA C 13 58.13 0.1 . 1 . . . . . . . . 5538 1 879 . 1 1 77 77 GLN CB C 13 27.94 0.1 . 1 . . . . . . . . 5538 1 880 . 1 1 77 77 GLN N N 15 119.99 0.1 . 1 . . . . . . . . 5538 1 881 . 1 1 77 77 GLN NE2 N 15 111.52 0.1 . 1 . . . . . . . . 5538 1 882 . 1 1 78 78 PHE H H 1 7.88 0.005 . 1 . . . . . . . . 5538 1 883 . 1 1 78 78 PHE HA H 1 3.59 0.005 . 1 . . . . . . . . 5538 1 884 . 1 1 78 78 PHE HB2 H 1 2.55 0.005 . 1 . . . . . . . . 5538 1 885 . 1 1 78 78 PHE HB3 H 1 2.34 0.005 . 1 . . . . . . . . 5538 1 886 . 1 1 78 78 PHE HD1 H 1 6.45 0.005 . 1 . . . . . . . . 5538 1 887 . 1 1 78 78 PHE HD2 H 1 6.99 0.005 . 1 . . . . . . . . 5538 1 888 . 1 1 78 78 PHE HE1 H 1 6.95 0.005 . 1 . . . . . . . . 5538 1 889 . 1 1 78 78 PHE HE2 H 1 7.12 0.005 . 1 . . . . . . . . 5538 1 890 . 1 1 78 78 PHE HZ H 1 6.98 0.005 . 1 . . . . . . . . 5538 1 891 . 1 1 78 78 PHE C C 13 176.03 0.1 . 1 . . . . . . . . 5538 1 892 . 1 1 78 78 PHE CA C 13 61.33 0.1 . 1 . . . . . . . . 5538 1 893 . 1 1 78 78 PHE CB C 13 38.51 0.1 . 1 . . . . . . . . 5538 1 894 . 1 1 78 78 PHE N N 15 120.65 0.1 . 1 . . . . . . . . 5538 1 895 . 1 1 79 79 LEU H H 1 7.78 0.005 . 1 . . . . . . . . 5538 1 896 . 1 1 79 79 LEU HA H 1 3.73 0.005 . 1 . . . . . . . . 5538 1 897 . 1 1 79 79 LEU HB2 H 1 1.79 0.005 . 1 . . . . . . . . 5538 1 898 . 1 1 79 79 LEU HB3 H 1 1.38 0.005 . 1 . . . . . . . . 5538 1 899 . 1 1 79 79 LEU HG H 1 1.85 0.005 . 1 . . . . . . . . 5538 1 900 . 1 1 79 79 LEU HD11 H 1 0.77 0.005 . 1 . . . . . . . . 5538 1 901 . 1 1 79 79 LEU HD12 H 1 0.77 0.005 . 1 . . . . . . . . 5538 1 902 . 1 1 79 79 LEU HD13 H 1 0.77 0.005 . 1 . . . . . . . . 5538 1 903 . 1 1 79 79 LEU HD21 H 1 1.00 0.005 . 1 . . . . . . . . 5538 1 904 . 1 1 79 79 LEU HD22 H 1 1.00 0.005 . 1 . . . . . . . . 5538 1 905 . 1 1 79 79 LEU HD23 H 1 1.00 0.005 . 1 . . . . . . . . 5538 1 906 . 1 1 79 79 LEU C C 13 179.15 0.1 . 1 . . . . . . . . 5538 1 907 . 1 1 79 79 LEU CA C 13 56.30 0.1 . 1 . . . . . . . . 5538 1 908 . 1 1 79 79 LEU CB C 13 40.83 0.1 . 1 . . . . . . . . 5538 1 909 . 1 1 79 79 LEU CD1 C 13 25.67 0.1 . 1 . . . . . . . . 5538 1 910 . 1 1 79 79 LEU CD2 C 13 26.08 0.1 . 1 . . . . . . . . 5538 1 911 . 1 1 79 79 LEU N N 15 114.16 0.1 . 1 . . . . . . . . 5538 1 912 . 1 1 80 80 GLU H H 1 7.41 0.005 . 1 . . . . . . . . 5538 1 913 . 1 1 80 80 GLU HA H 1 3.96 0.005 . 1 . . . . . . . . 5538 1 914 . 1 1 80 80 GLU HB2 H 1 1.92 0.005 . 2 . . . . . . . . 5538 1 915 . 1 1 80 80 GLU HB3 H 1 1.96 0.005 . 2 . . . . . . . . 5538 1 916 . 1 1 80 80 GLU HG2 H 1 2.19 0.005 . 2 . . . . . . . . 5538 1 917 . 1 1 80 80 GLU HG3 H 1 2.31 0.005 . 2 . . . . . . . . 5538 1 918 . 1 1 80 80 GLU C C 13 176.93 0.1 . 1 . . . . . . . . 5538 1 919 . 1 1 80 80 GLU CA C 13 57.83 0.1 . 1 . . . . . . . . 5538 1 920 . 1 1 80 80 GLU CB C 13 29.60 0.1 . 1 . . . . . . . . 5538 1 921 . 1 1 80 80 GLU N N 15 117.20 0.1 . 1 . . . . . . . . 5538 1 922 . 1 1 81 81 LYS H H 1 6.95 0.005 . 1 . . . . . . . . 5538 1 923 . 1 1 81 81 LYS HA H 1 4.28 0.005 . 1 . . . . . . . . 5538 1 924 . 1 1 81 81 LYS HB2 H 1 1.62 0.005 . 2 . . . . . . . . 5538 1 925 . 1 1 81 81 LYS HB3 H 1 1.45 0.005 . 2 . . . . . . . . 5538 1 926 . 1 1 81 81 LYS HG2 H 1 1.17 0.005 . 1 . . . . . . . . 5538 1 927 . 1 1 81 81 LYS HG3 H 1 1.17 0.005 . 1 . . . . . . . . 5538 1 928 . 1 1 81 81 LYS HD2 H 1 1.57 0.005 . 1 . . . . . . . . 5538 1 929 . 1 1 81 81 LYS HD3 H 1 1.57 0.005 . 1 . . . . . . . . 5538 1 930 . 1 1 81 81 LYS HE2 H 1 2.88 0.005 . 1 . . . . . . . . 5538 1 931 . 1 1 81 81 LYS HE3 H 1 2.88 0.005 . 1 . . . . . . . . 5538 1 932 . 1 1 81 81 LYS C C 13 170.60 0.1 . 1 . . . . . . . . 5538 1 933 . 1 1 81 81 LYS CA C 13 53.22 0.1 . 1 . . . . . . . . 5538 1 934 . 1 1 81 81 LYS CB C 13 32.50 0.1 . 1 . . . . . . . . 5538 1 935 . 1 1 81 81 LYS N N 15 117.27 0.1 . 1 . . . . . . . . 5538 1 936 . 1 1 82 82 PRO HA H 1 2.40 0.005 . 1 . . . . . . . . 5538 1 937 . 1 1 82 82 PRO HB2 H 1 1.28 0.005 . 2 . . . . . . . . 5538 1 938 . 1 1 82 82 PRO HB3 H 1 1.47 0.005 . 2 . . . . . . . . 5538 1 939 . 1 1 82 82 PRO HG2 H 1 1.66 0.005 . 1 . . . . . . . . 5538 1 940 . 1 1 82 82 PRO HG3 H 1 1.76 0.005 . 1 . . . . . . . . 5538 1 941 . 1 1 82 82 PRO HD2 H 1 3.24 0.005 . 1 . . . . . . . . 5538 1 942 . 1 1 82 82 PRO HD3 H 1 3.17 0.005 . 1 . . . . . . . . 5538 1 943 . 1 1 82 82 PRO C C 13 176.46 0.1 . 1 . . . . . . . . 5538 1 944 . 1 1 82 82 PRO CA C 13 63.34 0.1 . 1 . . . . . . . . 5538 1 945 . 1 1 82 82 PRO CB C 13 32.37 0.1 . 1 . . . . . . . . 5538 1 946 . 1 1 83 83 LYS H H 1 5.89 0.005 . 1 . . . . . . . . 5538 1 947 . 1 1 83 83 LYS HA H 1 4.22 0.005 . 1 . . . . . . . . 5538 1 948 . 1 1 83 83 LYS HB2 H 1 1.66 0.005 . 1 . . . . . . . . 5538 1 949 . 1 1 83 83 LYS HB3 H 1 1.66 0.005 . 1 . . . . . . . . 5538 1 950 . 1 1 83 83 LYS HG2 H 1 1.19 0.005 . 1 . . . . . . . . 5538 1 951 . 1 1 83 83 LYS HG3 H 1 1.19 0.005 . 1 . . . . . . . . 5538 1 952 . 1 1 83 83 LYS HD2 H 1 1.34 0.005 . 1 . . . . . . . . 5538 1 953 . 1 1 83 83 LYS HD3 H 1 1.34 0.005 . 1 . . . . . . . . 5538 1 954 . 1 1 83 83 LYS HE2 H 1 2.91 0.005 . 1 . . . . . . . . 5538 1 955 . 1 1 83 83 LYS HE3 H 1 2.91 0.005 . 1 . . . . . . . . 5538 1 956 . 1 1 83 83 LYS C C 13 173.60 0.1 . 1 . . . . . . . . 5538 1 957 . 1 1 83 83 LYS CA C 13 54.01 0.1 . 1 . . . . . . . . 5538 1 958 . 1 1 83 83 LYS N N 15 122.70 0.1 . 1 . . . . . . . . 5538 1 959 . 1 1 84 84 PRO HA H 1 4.22 0.005 . 1 . . . . . . . . 5538 1 960 . 1 1 84 84 PRO HB2 H 1 2.16 0.005 . 1 . . . . . . . . 5538 1 961 . 1 1 84 84 PRO HB3 H 1 2.50 0.005 . 1 . . . . . . . . 5538 1 962 . 1 1 84 84 PRO HG2 H 1 2.00 0.005 . 1 . . . . . . . . 5538 1 963 . 1 1 84 84 PRO HG3 H 1 2.11 0.005 . 1 . . . . . . . . 5538 1 964 . 1 1 84 84 PRO HD2 H 1 3.77 0.005 . 2 . . . . . . . . 5538 1 965 . 1 1 84 84 PRO HD3 H 1 3.64 0.005 . 2 . . . . . . . . 5538 1 966 . 1 1 84 84 PRO C C 13 174.28 0.1 . 1 . . . . . . . . 5538 1 967 . 1 1 84 84 PRO CA C 13 62.87 0.1 . 1 . . . . . . . . 5538 1 968 . 1 1 84 84 PRO CB C 13 33.95 0.1 . 1 . . . . . . . . 5538 1 969 . 1 1 85 85 LYS H H 1 8.41 0.005 . 1 . . . . . . . . 5538 1 970 . 1 1 85 85 LYS HA H 1 4.18 0.005 . 1 . . . . . . . . 5538 1 971 . 1 1 85 85 LYS HB2 H 1 1.91 0.005 . 2 . . . . . . . . 5538 1 972 . 1 1 85 85 LYS HB3 H 1 1.59 0.005 . 2 . . . . . . . . 5538 1 973 . 1 1 85 85 LYS HG2 H 1 1.27 0.005 . 1 . . . . . . . . 5538 1 974 . 1 1 85 85 LYS HG3 H 1 1.27 0.005 . 1 . . . . . . . . 5538 1 975 . 1 1 85 85 LYS HD2 H 1 1.66 0.005 . 1 . . . . . . . . 5538 1 976 . 1 1 85 85 LYS HD3 H 1 1.66 0.005 . 1 . . . . . . . . 5538 1 977 . 1 1 85 85 LYS HE2 H 1 2.94 0.005 . 1 . . . . . . . . 5538 1 978 . 1 1 85 85 LYS HE3 H 1 2.94 0.005 . 1 . . . . . . . . 5538 1 979 . 1 1 85 85 LYS C C 13 175.09 0.1 . 1 . . . . . . . . 5538 1 980 . 1 1 85 85 LYS CA C 13 54.77 0.1 . 1 . . . . . . . . 5538 1 981 . 1 1 85 85 LYS CB C 13 30.74 0.1 . 1 . . . . . . . . 5538 1 982 . 1 1 85 85 LYS N N 15 118.36 0.1 . 1 . . . . . . . . 5538 1 983 . 1 1 86 86 THR H H 1 7.31 0.005 . 1 . . . . . . . . 5538 1 984 . 1 1 86 86 THR HA H 1 4.41 0.005 . 1 . . . . . . . . 5538 1 985 . 1 1 86 86 THR HB H 1 4.19 0.005 . 1 . . . . . . . . 5538 1 986 . 1 1 86 86 THR HG21 H 1 1.47 0.005 . 1 . . . . . . . . 5538 1 987 . 1 1 86 86 THR HG22 H 1 1.47 0.005 . 1 . . . . . . . . 5538 1 988 . 1 1 86 86 THR HG23 H 1 1.47 0.005 . 1 . . . . . . . . 5538 1 989 . 1 1 86 86 THR C C 13 174.99 0.1 . 1 . . . . . . . . 5538 1 990 . 1 1 86 86 THR CA C 13 60.47 0.1 . 1 . . . . . . . . 5538 1 991 . 1 1 86 86 THR CB C 13 69.82 0.1 . 1 . . . . . . . . 5538 1 992 . 1 1 86 86 THR CG2 C 13 21.88 0.1 . 1 . . . . . . . . 5538 1 993 . 1 1 86 86 THR N N 15 116.80 0.1 . 1 . . . . . . . . 5538 1 994 . 1 1 87 87 ALA H H 1 9.23 0.005 . 1 . . . . . . . . 5538 1 995 . 1 1 87 87 ALA HA H 1 4.08 0.005 . 1 . . . . . . . . 5538 1 996 . 1 1 87 87 ALA HB1 H 1 1.57 0.005 . 1 . . . . . . . . 5538 1 997 . 1 1 87 87 ALA HB2 H 1 1.57 0.005 . 1 . . . . . . . . 5538 1 998 . 1 1 87 87 ALA HB3 H 1 1.57 0.005 . 1 . . . . . . . . 5538 1 999 . 1 1 87 87 ALA C C 13 180.75 0.1 . 1 . . . . . . . . 5538 1 1000 . 1 1 87 87 ALA CA C 13 56.00 0.1 . 1 . . . . . . . . 5538 1 1001 . 1 1 87 87 ALA CB C 13 17.72 0.1 . 1 . . . . . . . . 5538 1 1002 . 1 1 87 87 ALA N N 15 130.86 0.1 . 1 . . . . . . . . 5538 1 1003 . 1 1 88 88 SER H H 1 8.96 0.005 . 1 . . . . . . . . 5538 1 1004 . 1 1 88 88 SER HA H 1 4.27 0.005 . 1 . . . . . . . . 5538 1 1005 . 1 1 88 88 SER HB2 H 1 4.18 0.005 . 1 . . . . . . . . 5538 1 1006 . 1 1 88 88 SER HB3 H 1 4.18 0.005 . 1 . . . . . . . . 5538 1 1007 . 1 1 88 88 SER C C 13 175.76 0.1 . 1 . . . . . . . . 5538 1 1008 . 1 1 88 88 SER CA C 13 60.81 0.1 . 1 . . . . . . . . 5538 1 1009 . 1 1 88 88 SER CB C 13 62.26 0.1 . 1 . . . . . . . . 5538 1 1010 . 1 1 88 88 SER N N 15 112.74 0.1 . 1 . . . . . . . . 5538 1 1011 . 1 1 89 89 LEU H H 1 7.22 0.005 . 1 . . . . . . . . 5538 1 1012 . 1 1 89 89 LEU HA H 1 3.64 0.005 . 1 . . . . . . . . 5538 1 1013 . 1 1 89 89 LEU HB2 H 1 1.03 0.005 . 1 . . . . . . . . 5538 1 1014 . 1 1 89 89 LEU HB3 H 1 2.01 0.005 . 1 . . . . . . . . 5538 1 1015 . 1 1 89 89 LEU HG H 1 1.30 0.005 . 1 . . . . . . . . 5538 1 1016 . 1 1 89 89 LEU HD11 H 1 -0.22 0.005 . 1 . . . . . . . . 5538 1 1017 . 1 1 89 89 LEU HD12 H 1 -0.22 0.005 . 1 . . . . . . . . 5538 1 1018 . 1 1 89 89 LEU HD13 H 1 -0.22 0.005 . 1 . . . . . . . . 5538 1 1019 . 1 1 89 89 LEU HD21 H 1 1.00 0.005 . 1 . . . . . . . . 5538 1 1020 . 1 1 89 89 LEU HD22 H 1 1.00 0.005 . 1 . . . . . . . . 5538 1 1021 . 1 1 89 89 LEU HD23 H 1 1.00 0.005 . 1 . . . . . . . . 5538 1 1022 . 1 1 89 89 LEU C C 13 178.95 0.1 . 1 . . . . . . . . 5538 1 1023 . 1 1 89 89 LEU CA C 13 55.97 0.1 . 1 . . . . . . . . 5538 1 1024 . 1 1 89 89 LEU CB C 13 41.85 0.1 . 1 . . . . . . . . 5538 1 1025 . 1 1 89 89 LEU CD1 C 13 20.69 0.1 . 1 . . . . . . . . 5538 1 1026 . 1 1 89 89 LEU CD2 C 13 23.03 0.1 . 1 . . . . . . . . 5538 1 1027 . 1 1 89 89 LEU N N 15 123.88 0.1 . 1 . . . . . . . . 5538 1 1028 . 1 1 90 90 ILE H H 1 8.10 0.005 . 1 . . . . . . . . 5538 1 1029 . 1 1 90 90 ILE HA H 1 3.79 0.005 . 1 . . . . . . . . 5538 1 1030 . 1 1 90 90 ILE HB H 1 1.96 0.005 . 1 . . . . . . . . 5538 1 1031 . 1 1 90 90 ILE HG12 H 1 1.90 0.005 . 2 . . . . . . . . 5538 1 1032 . 1 1 90 90 ILE HG13 H 1 1.03 0.005 . 2 . . . . . . . . 5538 1 1033 . 1 1 90 90 ILE HG21 H 1 0.94 0.005 . 1 . . . . . . . . 5538 1 1034 . 1 1 90 90 ILE HG22 H 1 0.94 0.005 . 1 . . . . . . . . 5538 1 1035 . 1 1 90 90 ILE HG23 H 1 0.94 0.005 . 1 . . . . . . . . 5538 1 1036 . 1 1 90 90 ILE HD11 H 1 0.83 0.005 . 1 . . . . . . . . 5538 1 1037 . 1 1 90 90 ILE HD12 H 1 0.83 0.005 . 1 . . . . . . . . 5538 1 1038 . 1 1 90 90 ILE HD13 H 1 0.83 0.005 . 1 . . . . . . . . 5538 1 1039 . 1 1 90 90 ILE C C 13 178.20 0.1 . 1 . . . . . . . . 5538 1 1040 . 1 1 90 90 ILE CA C 13 66.38 0.1 . 1 . . . . . . . . 5538 1 1041 . 1 1 90 90 ILE CB C 13 37.65 0.1 . 1 . . . . . . . . 5538 1 1042 . 1 1 90 90 ILE CG2 C 13 16.66 0.1 . 1 . . . . . . . . 5538 1 1043 . 1 1 90 90 ILE CD1 C 13 13.32 0.1 . 1 . . . . . . . . 5538 1 1044 . 1 1 90 90 ILE N N 15 120.23 0.1 . 1 . . . . . . . . 5538 1 1045 . 1 1 91 91 LYS H H 1 8.15 0.005 . 1 . . . . . . . . 5538 1 1046 . 1 1 91 91 LYS HA H 1 3.92 0.005 . 1 . . . . . . . . 5538 1 1047 . 1 1 91 91 LYS HB2 H 1 1.85 0.005 . 2 . . . . . . . . 5538 1 1048 . 1 1 91 91 LYS HB3 H 1 2.03 0.005 . 2 . . . . . . . . 5538 1 1049 . 1 1 91 91 LYS HG2 H 1 1.45 0.005 . 2 . . . . . . . . 5538 1 1050 . 1 1 91 91 LYS HG3 H 1 1.67 0.005 . 2 . . . . . . . . 5538 1 1051 . 1 1 91 91 LYS HD2 H 1 1.71 0.005 . 1 . . . . . . . . 5538 1 1052 . 1 1 91 91 LYS HD3 H 1 1.71 0.005 . 1 . . . . . . . . 5538 1 1053 . 1 1 91 91 LYS HE2 H 1 2.95 0.005 . 1 . . . . . . . . 5538 1 1054 . 1 1 91 91 LYS HE3 H 1 2.95 0.005 . 1 . . . . . . . . 5538 1 1055 . 1 1 91 91 LYS C C 13 179.43 0.1 . 1 . . . . . . . . 5538 1 1056 . 1 1 91 91 LYS CA C 13 59.44 0.1 . 1 . . . . . . . . 5538 1 1057 . 1 1 91 91 LYS CB C 13 32.26 0.1 . 1 . . . . . . . . 5538 1 1058 . 1 1 91 91 LYS N N 15 117.65 0.1 . 1 . . . . . . . . 5538 1 1059 . 1 1 92 92 ALA H H 1 8.16 0.005 . 1 . . . . . . . . 5538 1 1060 . 1 1 92 92 ALA HA H 1 3.72 0.005 . 1 . . . . . . . . 5538 1 1061 . 1 1 92 92 ALA HB1 H 1 1.53 0.005 . 1 . . . . . . . . 5538 1 1062 . 1 1 92 92 ALA HB2 H 1 1.53 0.005 . 1 . . . . . . . . 5538 1 1063 . 1 1 92 92 ALA HB3 H 1 1.53 0.005 . 1 . . . . . . . . 5538 1 1064 . 1 1 92 92 ALA C C 13 179.17 0.1 . 1 . . . . . . . . 5538 1 1065 . 1 1 92 92 ALA CA C 13 55.15 0.1 . 1 . . . . . . . . 5538 1 1066 . 1 1 92 92 ALA CB C 13 19.53 0.1 . 1 . . . . . . . . 5538 1 1067 . 1 1 92 92 ALA N N 15 122.84 0.1 . 1 . . . . . . . . 5538 1 1068 . 1 1 93 93 TYR H H 1 8.28 0.005 . 1 . . . . . . . . 5538 1 1069 . 1 1 93 93 TYR HA H 1 3.66 0.005 . 1 . . . . . . . . 5538 1 1070 . 1 1 93 93 TYR HB2 H 1 2.98 0.005 . 1 . . . . . . . . 5538 1 1071 . 1 1 93 93 TYR HB3 H 1 2.66 0.005 . 1 . . . . . . . . 5538 1 1072 . 1 1 93 93 TYR HD1 H 1 6.65 0.005 . 1 . . . . . . . . 5538 1 1073 . 1 1 93 93 TYR HD2 H 1 6.65 0.005 . 1 . . . . . . . . 5538 1 1074 . 1 1 93 93 TYR C C 13 178.36 0.1 . 1 . . . . . . . . 5538 1 1075 . 1 1 93 93 TYR CA C 13 63.37 0.1 . 1 . . . . . . . . 5538 1 1076 . 1 1 93 93 TYR CB C 13 38.46 0.1 . 1 . . . . . . . . 5538 1 1077 . 1 1 93 93 TYR N N 15 117.66 0.1 . 1 . . . . . . . . 5538 1 1078 . 1 1 94 94 LYS H H 1 8.69 0.005 . 1 . . . . . . . . 5538 1 1079 . 1 1 94 94 LYS HA H 1 3.87 0.005 . 1 . . . . . . . . 5538 1 1080 . 1 1 94 94 LYS HB2 H 1 1.85 0.005 . 2 . . . . . . . . 5538 1 1081 . 1 1 94 94 LYS HB3 H 1 1.66 0.005 . 2 . . . . . . . . 5538 1 1082 . 1 1 94 94 LYS HG2 H 1 1.39 0.005 . 1 . . . . . . . . 5538 1 1083 . 1 1 94 94 LYS HG3 H 1 1.39 0.005 . 1 . . . . . . . . 5538 1 1084 . 1 1 94 94 LYS HD2 H 1 1.65 0.005 . 1 . . . . . . . . 5538 1 1085 . 1 1 94 94 LYS HD3 H 1 1.65 0.005 . 1 . . . . . . . . 5538 1 1086 . 1 1 94 94 LYS HE2 H 1 2.86 0.005 . 2 . . . . . . . . 5538 1 1087 . 1 1 94 94 LYS HE3 H 1 2.92 0.005 . 2 . . . . . . . . 5538 1 1088 . 1 1 94 94 LYS C C 13 179.11 0.1 . 1 . . . . . . . . 5538 1 1089 . 1 1 94 94 LYS CA C 13 59.32 0.1 . 1 . . . . . . . . 5538 1 1090 . 1 1 94 94 LYS CB C 13 31.68 0.1 . 1 . . . . . . . . 5538 1 1091 . 1 1 94 94 LYS N N 15 119.24 0.1 . 1 . . . . . . . . 5538 1 1092 . 1 1 95 95 MET H H 1 8.08 0.005 . 1 . . . . . . . . 5538 1 1093 . 1 1 95 95 MET HA H 1 3.98 0.005 . 1 . . . . . . . . 5538 1 1094 . 1 1 95 95 MET HB2 H 1 2.12 0.005 . 1 . . . . . . . . 5538 1 1095 . 1 1 95 95 MET HB3 H 1 1.64 0.005 . 1 . . . . . . . . 5538 1 1096 . 1 1 95 95 MET HG2 H 1 2.35 0.005 . 1 . . . . . . . . 5538 1 1097 . 1 1 95 95 MET HG3 H 1 2.35 0.005 . 1 . . . . . . . . 5538 1 1098 . 1 1 95 95 MET HE1 H 1 2.19 0.005 . 1 . . . . . . . . 5538 1 1099 . 1 1 95 95 MET HE2 H 1 2.19 0.005 . 1 . . . . . . . . 5538 1 1100 . 1 1 95 95 MET HE3 H 1 2.19 0.005 . 1 . . . . . . . . 5538 1 1101 . 1 1 95 95 MET C C 13 178.76 0.1 . 1 . . . . . . . . 5538 1 1102 . 1 1 95 95 MET CA C 13 58.27 0.1 . 1 . . . . . . . . 5538 1 1103 . 1 1 95 95 MET CB C 13 31.37 0.1 . 1 . . . . . . . . 5538 1 1104 . 1 1 95 95 MET CE C 13 16.27 0.1 . 1 . . . . . . . . 5538 1 1105 . 1 1 95 95 MET N N 15 118.83 0.1 . 1 . . . . . . . . 5538 1 1106 . 1 1 96 96 ALA H H 1 8.14 0.005 . 1 . . . . . . . . 5538 1 1107 . 1 1 96 96 ALA HA H 1 3.17 0.005 . 1 . . . . . . . . 5538 1 1108 . 1 1 96 96 ALA HB1 H 1 1.21 0.005 . 1 . . . . . . . . 5538 1 1109 . 1 1 96 96 ALA HB2 H 1 1.21 0.005 . 1 . . . . . . . . 5538 1 1110 . 1 1 96 96 ALA HB3 H 1 1.21 0.005 . 1 . . . . . . . . 5538 1 1111 . 1 1 96 96 ALA C C 13 179.76 0.1 . 1 . . . . . . . . 5538 1 1112 . 1 1 96 96 ALA CA C 13 54.29 0.1 . 1 . . . . . . . . 5538 1 1113 . 1 1 96 96 ALA CB C 13 16.90 0.1 . 1 . . . . . . . . 5538 1 1114 . 1 1 96 96 ALA N N 15 123.33 0.1 . 1 . . . . . . . . 5538 1 1115 . 1 1 97 97 GLN H H 1 8.32 0.005 . 1 . . . . . . . . 5538 1 1116 . 1 1 97 97 GLN HA H 1 3.69 0.005 . 1 . . . . . . . . 5538 1 1117 . 1 1 97 97 GLN HB2 H 1 2.42 0.005 . 2 . . . . . . . . 5538 1 1118 . 1 1 97 97 GLN HB3 H 1 2.01 0.005 . 2 . . . . . . . . 5538 1 1119 . 1 1 97 97 GLN HG2 H 1 2.27 0.005 . 2 . . . . . . . . 5538 1 1120 . 1 1 97 97 GLN HG3 H 1 2.30 0.005 . 2 . . . . . . . . 5538 1 1121 . 1 1 97 97 GLN HE21 H 1 6.92 0.005 . 2 . . . . . . . . 5538 1 1122 . 1 1 97 97 GLN HE22 H 1 7.57 0.005 . 2 . . . . . . . . 5538 1 1123 . 1 1 97 97 GLN C C 13 176.16 0.1 . 1 . . . . . . . . 5538 1 1124 . 1 1 97 97 GLN CA C 13 58.66 0.1 . 1 . . . . . . . . 5538 1 1125 . 1 1 97 97 GLN CB C 13 28.82 0.1 . 1 . . . . . . . . 5538 1 1126 . 1 1 97 97 GLN N N 15 118.74 0.1 . 1 . . . . . . . . 5538 1 1127 . 1 1 97 97 GLN NE2 N 15 111.50 0.1 . 1 . . . . . . . . 5538 1 1128 . 1 1 98 98 SER H H 1 7.18 0.005 . 1 . . . . . . . . 5538 1 1129 . 1 1 98 98 SER HA H 1 4.45 0.005 . 1 . . . . . . . . 5538 1 1130 . 1 1 98 98 SER HB2 H 1 3.97 0.005 . 2 . . . . . . . . 5538 1 1131 . 1 1 98 98 SER HB3 H 1 3.92 0.005 . 2 . . . . . . . . 5538 1 1132 . 1 1 98 98 SER C C 13 172.82 0.1 . 1 . . . . . . . . 5538 1 1133 . 1 1 98 98 SER CA C 13 57.51 0.1 . 1 . . . . . . . . 5538 1 1134 . 1 1 98 98 SER CB C 13 63.32 0.1 . 1 . . . . . . . . 5538 1 1135 . 1 1 98 98 SER N N 15 109.65 0.1 . 1 . . . . . . . . 5538 1 1136 . 1 1 99 99 THR H H 1 7.19 0.005 . 1 . . . . . . . . 5538 1 1137 . 1 1 99 99 THR HA H 1 4.50 0.005 . 1 . . . . . . . . 5538 1 1138 . 1 1 99 99 THR HB H 1 3.82 0.005 . 1 . . . . . . . . 5538 1 1139 . 1 1 99 99 THR HG21 H 1 1.09 0.005 . 1 . . . . . . . . 5538 1 1140 . 1 1 99 99 THR HG22 H 1 1.09 0.005 . 1 . . . . . . . . 5538 1 1141 . 1 1 99 99 THR HG23 H 1 1.09 0.005 . 1 . . . . . . . . 5538 1 1142 . 1 1 99 99 THR C C 13 170.64 0.1 . 1 . . . . . . . . 5538 1 1143 . 1 1 99 99 THR CA C 13 58.36 0.1 . 1 . . . . . . . . 5538 1 1144 . 1 1 99 99 THR CB C 13 67.80 0.1 . 1 . . . . . . . . 5538 1 1145 . 1 1 99 99 THR CG2 C 13 21.19 0.1 . 1 . . . . . . . . 5538 1 1146 . 1 1 99 99 THR N N 15 117.50 0.1 . 1 . . . . . . . . 5538 1 1147 . 1 1 100 100 PRO HA H 1 4.09 0.005 . 1 . . . . . . . . 5538 1 1148 . 1 1 100 100 PRO HB2 H 1 2.13 0.005 . 2 . . . . . . . . 5538 1 1149 . 1 1 100 100 PRO HB3 H 1 1.92 0.005 . 2 . . . . . . . . 5538 1 1150 . 1 1 100 100 PRO HG2 H 1 1.81 0.005 . 1 . . . . . . . . 5538 1 1151 . 1 1 100 100 PRO HG3 H 1 1.88 0.005 . 1 . . . . . . . . 5538 1 1152 . 1 1 100 100 PRO HD2 H 1 3.64 0.005 . 1 . . . . . . . . 5538 1 1153 . 1 1 100 100 PRO HD3 H 1 3.27 0.005 . 1 . . . . . . . . 5538 1 1154 . 1 1 100 100 PRO C C 13 175.63 0.1 . 1 . . . . . . . . 5538 1 1155 . 1 1 100 100 PRO CA C 13 63.00 0.1 . 1 . . . . . . . . 5538 1 1156 . 1 1 100 100 PRO CB C 13 31.95 0.1 . 1 . . . . . . . . 5538 1 1157 . 1 1 101 101 ASP H H 1 7.38 0.005 . 1 . . . . . . . . 5538 1 1158 . 1 1 101 101 ASP HA H 1 4.77 0.005 . 1 . . . . . . . . 5538 1 1159 . 1 1 101 101 ASP HB2 H 1 2.86 0.005 . 2 . . . . . . . . 5538 1 1160 . 1 1 101 101 ASP HB3 H 1 3.08 0.005 . 2 . . . . . . . . 5538 1 1161 . 1 1 101 101 ASP C C 13 175.38 0.1 . 1 . . . . . . . . 5538 1 1162 . 1 1 101 101 ASP CA C 13 51.92 0.1 . 1 . . . . . . . . 5538 1 1163 . 1 1 101 101 ASP CB C 13 41.45 0.1 . 1 . . . . . . . . 5538 1 1164 . 1 1 101 101 ASP N N 15 114.74 0.1 . 1 . . . . . . . . 5538 1 1165 . 1 1 102 102 LEU H H 1 8.54 0.005 . 1 . . . . . . . . 5538 1 1166 . 1 1 102 102 LEU HA H 1 4.14 0.005 . 1 . . . . . . . . 5538 1 1167 . 1 1 102 102 LEU HB2 H 1 1.50 0.005 . 1 . . . . . . . . 5538 1 1168 . 1 1 102 102 LEU HB3 H 1 1.65 0.005 . 1 . . . . . . . . 5538 1 1169 . 1 1 102 102 LEU HG H 1 1.70 0.005 . 1 . . . . . . . . 5538 1 1170 . 1 1 102 102 LEU HD11 H 1 0.92 0.005 . 1 . . . . . . . . 5538 1 1171 . 1 1 102 102 LEU HD12 H 1 0.92 0.005 . 1 . . . . . . . . 5538 1 1172 . 1 1 102 102 LEU HD13 H 1 0.92 0.005 . 1 . . . . . . . . 5538 1 1173 . 1 1 102 102 LEU HD21 H 1 0.94 0.005 . 1 . . . . . . . . 5538 1 1174 . 1 1 102 102 LEU HD22 H 1 0.94 0.005 . 1 . . . . . . . . 5538 1 1175 . 1 1 102 102 LEU HD23 H 1 0.94 0.005 . 1 . . . . . . . . 5538 1 1176 . 1 1 102 102 LEU C C 13 179.66 0.1 . 1 . . . . . . . . 5538 1 1177 . 1 1 102 102 LEU CA C 13 56.54 0.1 . 1 . . . . . . . . 5538 1 1178 . 1 1 102 102 LEU CB C 13 41.87 0.1 . 1 . . . . . . . . 5538 1 1179 . 1 1 102 102 LEU CD1 C 13 24.69 0.1 . 1 . . . . . . . . 5538 1 1180 . 1 1 102 102 LEU CD2 C 13 24.84 0.1 . 1 . . . . . . . . 5538 1 1181 . 1 1 102 102 LEU N N 15 118.25 0.1 . 1 . . . . . . . . 5538 1 1182 . 1 1 103 103 ASP H H 1 8.23 0.005 . 1 . . . . . . . . 5538 1 1183 . 1 1 103 103 ASP HA H 1 4.36 0.005 . 1 . . . . . . . . 5538 1 1184 . 1 1 103 103 ASP HB2 H 1 2.61 0.005 . 1 . . . . . . . . 5538 1 1185 . 1 1 103 103 ASP HB3 H 1 2.61 0.005 . 1 . . . . . . . . 5538 1 1186 . 1 1 103 103 ASP C C 13 177.85 0.1 . 1 . . . . . . . . 5538 1 1187 . 1 1 103 103 ASP CA C 13 56.10 0.1 . 1 . . . . . . . . 5538 1 1188 . 1 1 103 103 ASP CB C 13 39.70 0.1 . 1 . . . . . . . . 5538 1 1189 . 1 1 103 103 ASP N N 15 118.30 0.1 . 1 . . . . . . . . 5538 1 1190 . 1 1 104 104 SER H H 1 7.80 0.005 . 1 . . . . . . . . 5538 1 1191 . 1 1 104 104 SER HA H 1 4.40 0.005 . 1 . . . . . . . . 5538 1 1192 . 1 1 104 104 SER HB2 H 1 3.95 0.005 . 2 . . . . . . . . 5538 1 1193 . 1 1 104 104 SER HB3 H 1 4.13 0.005 . 2 . . . . . . . . 5538 1 1194 . 1 1 104 104 SER C C 13 173.72 0.1 . 1 . . . . . . . . 5538 1 1195 . 1 1 104 104 SER CA C 13 59.29 0.1 . 1 . . . . . . . . 5538 1 1196 . 1 1 104 104 SER CB C 13 63.17 0.1 . 1 . . . . . . . . 5538 1 1197 . 1 1 104 104 SER N N 15 113.36 0.1 . 1 . . . . . . . . 5538 1 1198 . 1 1 105 105 LEU H H 1 7.48 0.005 . 1 . . . . . . . . 5538 1 1199 . 1 1 105 105 LEU HA H 1 4.26 0.005 . 1 . . . . . . . . 5538 1 1200 . 1 1 105 105 LEU HB2 H 1 1.55 0.005 . 2 . . . . . . . . 5538 1 1201 . 1 1 105 105 LEU HB3 H 1 1.88 0.005 . 2 . . . . . . . . 5538 1 1202 . 1 1 105 105 LEU HG H 1 1.55 0.005 . 1 . . . . . . . . 5538 1 1203 . 1 1 105 105 LEU HD11 H 1 0.96 0.005 . 1 . . . . . . . . 5538 1 1204 . 1 1 105 105 LEU HD12 H 1 0.96 0.005 . 1 . . . . . . . . 5538 1 1205 . 1 1 105 105 LEU HD13 H 1 0.96 0.005 . 1 . . . . . . . . 5538 1 1206 . 1 1 105 105 LEU HD21 H 1 0.89 0.005 . 1 . . . . . . . . 5538 1 1207 . 1 1 105 105 LEU HD22 H 1 0.89 0.005 . 1 . . . . . . . . 5538 1 1208 . 1 1 105 105 LEU HD23 H 1 0.89 0.005 . 1 . . . . . . . . 5538 1 1209 . 1 1 105 105 LEU C C 13 176.21 0.1 . 1 . . . . . . . . 5538 1 1210 . 1 1 105 105 LEU CA C 13 54.71 0.1 . 1 . . . . . . . . 5538 1 1211 . 1 1 105 105 LEU CB C 13 42.22 0.1 . 1 . . . . . . . . 5538 1 1212 . 1 1 105 105 LEU CD1 C 13 24.02 0.1 . 1 . . . . . . . . 5538 1 1213 . 1 1 105 105 LEU CD2 C 13 25.01 0.1 . 1 . . . . . . . . 5538 1 1214 . 1 1 105 105 LEU N N 15 122.72 0.1 . 1 . . . . . . . . 5538 1 1215 . 1 1 106 106 SER H H 1 8.22 0.005 . 1 . . . . . . . . 5538 1 1216 . 1 1 106 106 SER HA H 1 4.59 0.005 . 1 . . . . . . . . 5538 1 1217 . 1 1 106 106 SER HB2 H 1 3.82 0.005 . 2 . . . . . . . . 5538 1 1218 . 1 1 106 106 SER HB3 H 1 3.80 0.005 . 2 . . . . . . . . 5538 1 1219 . 1 1 106 106 SER C C 13 174.02 0.1 . 1 . . . . . . . . 5538 1 1220 . 1 1 106 106 SER CA C 13 56.70 0.1 . 1 . . . . . . . . 5538 1 1221 . 1 1 106 106 SER CB C 13 63.15 0.1 . 1 . . . . . . . . 5538 1 1222 . 1 1 106 106 SER N N 15 118.83 0.1 . 1 . . . . . . . . 5538 1 1223 . 1 1 107 107 VAL H H 1 8.22 0.005 . 1 . . . . . . . . 5538 1 1224 . 1 1 107 107 VAL HA H 1 4.41 0.005 . 1 . . . . . . . . 5538 1 1225 . 1 1 107 107 VAL HB H 1 2.13 0.005 . 1 . . . . . . . . 5538 1 1226 . 1 1 107 107 VAL HG11 H 1 0.96 0.005 . 1 . . . . . . . . 5538 1 1227 . 1 1 107 107 VAL HG12 H 1 0.96 0.005 . 1 . . . . . . . . 5538 1 1228 . 1 1 107 107 VAL HG13 H 1 0.96 0.005 . 1 . . . . . . . . 5538 1 1229 . 1 1 107 107 VAL HG21 H 1 0.90 0.005 . 1 . . . . . . . . 5538 1 1230 . 1 1 107 107 VAL HG22 H 1 0.90 0.005 . 1 . . . . . . . . 5538 1 1231 . 1 1 107 107 VAL HG23 H 1 0.90 0.005 . 1 . . . . . . . . 5538 1 1232 . 1 1 107 107 VAL C C 13 174.25 0.1 . 1 . . . . . . . . 5538 1 1233 . 1 1 107 107 VAL CA C 13 59.27 0.1 . 1 . . . . . . . . 5538 1 1234 . 1 1 107 107 VAL CB C 13 32.28 0.1 . 1 . . . . . . . . 5538 1 1235 . 1 1 107 107 VAL CG1 C 13 20.67 0.1 . 1 . . . . . . . . 5538 1 1236 . 1 1 107 107 VAL CG2 C 13 19.60 0.1 . 1 . . . . . . . . 5538 1 1237 . 1 1 107 107 VAL N N 15 122.95 0.1 . 1 . . . . . . . . 5538 1 1238 . 1 1 108 108 PRO HA H 1 4.46 0.005 . 1 . . . . . . . . 5538 1 1239 . 1 1 108 108 PRO HB2 H 1 2.28 0.005 . 2 . . . . . . . . 5538 1 1240 . 1 1 108 108 PRO HB3 H 1 1.99 0.005 . 2 . . . . . . . . 5538 1 1241 . 1 1 108 108 PRO HG2 H 1 2.03 0.005 . 2 . . . . . . . . 5538 1 1242 . 1 1 108 108 PRO HG3 H 1 2.08 0.005 . 2 . . . . . . . . 5538 1 1243 . 1 1 108 108 PRO HD2 H 1 3.78 0.005 . 2 . . . . . . . . 5538 1 1244 . 1 1 108 108 PRO HD3 H 1 3.75 0.005 . 2 . . . . . . . . 5538 1 1245 . 1 1 108 108 PRO C C 13 175.80 0.1 . 1 . . . . . . . . 5538 1 1246 . 1 1 108 108 PRO CA C 13 62.79 0.1 . 1 . . . . . . . . 5538 1 1247 . 1 1 108 108 PRO CB C 13 31.52 0.1 . 1 . . . . . . . . 5538 1 1248 . 1 1 109 109 SER H H 1 8.04 0.005 . 1 . . . . . . . . 5538 1 1249 . 1 1 109 109 SER HA H 1 4.24 0.005 . 1 . . . . . . . . 5538 1 1250 . 1 1 109 109 SER HB2 H 1 3.82 0.005 . 1 . . . . . . . . 5538 1 1251 . 1 1 109 109 SER HB3 H 1 3.82 0.005 . 1 . . . . . . . . 5538 1 1252 . 1 1 109 109 SER C C 13 178.87 0.1 . 1 . . . . . . . . 5538 1 1253 . 1 1 109 109 SER CA C 13 59.39 0.1 . 1 . . . . . . . . 5538 1 1254 . 1 1 109 109 SER CB C 13 64.52 0.1 . 1 . . . . . . . . 5538 1 1255 . 1 1 109 109 SER N N 15 121.60 0.1 . 1 . . . . . . . . 5538 1 stop_ save_