data_25175 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25175 _Entry.Title ; NMR resonance assignment of the N-terminal domain of the lantibiotic immunity protein NisI ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-08-26 _Entry.Accession_date 2014-08-26 _Entry.Last_release_date 2015-04-27 _Entry.Original_release_date 2015-04-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Carolin Hacker . . . 25175 2 'Nina Alexandra' Christ . . . 25175 3 Elke Duchardt-Ferner . . . 25175 4 Lucija Bernigner . . . 25175 5 Peter Koetter . . . 25175 6 Karl-Dieter Entian . . . 25175 7 Jens Woehnert . . . 25175 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25175 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID LanI . 25175 NisI . 25175 'lantibiotic self-immunity protein' . 25175 nisin . 25175 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25175 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 493 25175 '15N chemical shifts' 117 25175 '1H chemical shifts' 783 25175 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2015-10-01 2014-08-26 original BMRB 'update entry citation' 25175 1 . . 2015-04-27 2014-08-26 original BMRB 'original release' 25175 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25193 NisI 25175 BMRB 25194 'C-terminal domain of the lantibiotic immunity protein NisI' 25175 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25175 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25613223 _Citation.Full_citation . _Citation.Title ; NMR resonance assignments of the lantibiotic immunity protein NisI from Lactococcus lactis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 293 _Citation.Page_last 297 _Citation.Year 2015 _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 Carolin Hacker . . . 25175 1 2 'Nina Alexandra' Christ . A . 25175 1 3 Elke Duchardt-Ferner . . . 25175 1 4 Lucija Bernigner . . . 25175 1 5 Peter Koetter . A. . 25175 1 6 Karl-Dieter Entian . . . 25175 1 7 Jens Woehnert . . . 25175 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25175 _Assembly.ID 1 _Assembly.Name NisI _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 NisI 1 $NisI A . yes native no no . . . 25175 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NisI _Entity.Sf_category entity _Entity.Sf_framecode NisI _Entity.Entry_ID 25175 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NisI _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; YQTSHKKVRFDEGSYTNFIY DNKSYFVTDKEIPQENVNNS KVKFYKLLIVDMKSEKLLSS SNKNSVTLVLNNIYEASDKS LCMGINDRYYKILPESDKGA VKALRLQNF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq Y2-F110 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment NisI2-110 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12779.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 25193 . NisI . . . . . 100.00 227 100.00 100.00 3.78e-70 . . . . 25175 1 2 no PDB 2N32 . "Nmr Solution Structure Of The N-terminal Domain Of Nisi, A Lipoprotein From Lactococcus Lactis Which Confers Immunity Against N" . . . . . 100.00 109 100.00 100.00 6.23e-71 . . . . 25175 1 3 no DBJ BAL50562 . "encodes a protein involved in immunity against nisin [Lactococcus lactis subsp. lactis IO-1]" . . . . . 100.00 245 99.08 99.08 3.21e-69 . . . . 25175 1 4 no EMBL CAA54209 . "nisI [Lactococcus lactis]" . . . . . 100.00 245 100.00 100.00 7.90e-70 . . . . 25175 1 5 no GB AAA25193 . "encodes a protein involved in immunity against nisin [Lactococcus lactis]" . . . . . 100.00 245 100.00 100.00 7.90e-70 . . . . 25175 1 6 no GB AAQ89591 . "nisin immunity protein [Lactococcus lactis subsp. lactis]" . . . . . 100.00 245 100.00 100.00 8.62e-70 . . . . 25175 1 7 no GB AAQ89592 . "nisin immunity protein [Lactococcus lactis subsp. lactis]" . . . . . 100.00 245 100.00 100.00 8.62e-70 . . . . 25175 1 8 no GB ADJ56356 . "NisI [Lactococcus lactis subsp. lactis]" . . . . . 100.00 245 100.00 100.00 7.90e-70 . . . . 25175 1 9 no GB ADZ63253 . "nisin immunity protein NisI [Lactococcus lactis subsp. lactis CV56]" . . . . . 100.00 245 100.00 100.00 7.90e-70 . . . . 25175 1 10 no REF WP_014570409 . "nisin immunity protein [Lactococcus lactis]" . . . . . 100.00 245 100.00 100.00 7.90e-70 . . . . 25175 1 11 no REF WP_015425983 . "encodes a protein involved in immunity against nisin [Lactococcus lactis]" . . . . . 100.00 245 99.08 99.08 3.21e-69 . . . . 25175 1 12 no REF WP_039114828 . "immunity protein [Lactococcus lactis]" . . . . . 100.00 245 98.17 98.17 1.04e-68 . . . . 25175 1 13 no REF WP_042748180 . "immunity protein [Lactococcus lactis]" . . . . . 100.00 245 98.17 98.17 1.19e-68 . . . . 25175 1 14 no SP P42708 . "RecName: Full=Nisin immunity protein; Flags: Precursor [Lactococcus lactis subsp. lactis]" . . . . . 100.00 245 100.00 100.00 7.90e-70 . . . . 25175 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 2 TYR . 25175 1 2 3 GLN . 25175 1 3 4 THR . 25175 1 4 5 SER . 25175 1 5 6 HIS . 25175 1 6 7 LYS . 25175 1 7 8 LYS . 25175 1 8 9 VAL . 25175 1 9 10 ARG . 25175 1 10 11 PHE . 25175 1 11 12 ASP . 25175 1 12 13 GLU . 25175 1 13 14 GLY . 25175 1 14 15 SER . 25175 1 15 16 TYR . 25175 1 16 17 THR . 25175 1 17 18 ASN . 25175 1 18 19 PHE . 25175 1 19 20 ILE . 25175 1 20 21 TYR . 25175 1 21 22 ASP . 25175 1 22 23 ASN . 25175 1 23 24 LYS . 25175 1 24 25 SER . 25175 1 25 26 TYR . 25175 1 26 27 PHE . 25175 1 27 28 VAL . 25175 1 28 29 THR . 25175 1 29 30 ASP . 25175 1 30 31 LYS . 25175 1 31 32 GLU . 25175 1 32 33 ILE . 25175 1 33 34 PRO . 25175 1 34 35 GLN . 25175 1 35 36 GLU . 25175 1 36 37 ASN . 25175 1 37 38 VAL . 25175 1 38 39 ASN . 25175 1 39 40 ASN . 25175 1 40 41 SER . 25175 1 41 42 LYS . 25175 1 42 43 VAL . 25175 1 43 44 LYS . 25175 1 44 45 PHE . 25175 1 45 46 TYR . 25175 1 46 47 LYS . 25175 1 47 48 LEU . 25175 1 48 49 LEU . 25175 1 49 50 ILE . 25175 1 50 51 VAL . 25175 1 51 52 ASP . 25175 1 52 53 MET . 25175 1 53 54 LYS . 25175 1 54 55 SER . 25175 1 55 56 GLU . 25175 1 56 57 LYS . 25175 1 57 58 LEU . 25175 1 58 59 LEU . 25175 1 59 60 SER . 25175 1 60 61 SER . 25175 1 61 62 SER . 25175 1 62 63 ASN . 25175 1 63 64 LYS . 25175 1 64 65 ASN . 25175 1 65 66 SER . 25175 1 66 67 VAL . 25175 1 67 68 THR . 25175 1 68 69 LEU . 25175 1 69 70 VAL . 25175 1 70 71 LEU . 25175 1 71 72 ASN . 25175 1 72 73 ASN . 25175 1 73 74 ILE . 25175 1 74 75 TYR . 25175 1 75 76 GLU . 25175 1 76 77 ALA . 25175 1 77 78 SER . 25175 1 78 79 ASP . 25175 1 79 80 LYS . 25175 1 80 81 SER . 25175 1 81 82 LEU . 25175 1 82 83 CYS . 25175 1 83 84 MET . 25175 1 84 85 GLY . 25175 1 85 86 ILE . 25175 1 86 87 ASN . 25175 1 87 88 ASP . 25175 1 88 89 ARG . 25175 1 89 90 TYR . 25175 1 90 91 TYR . 25175 1 91 92 LYS . 25175 1 92 93 ILE . 25175 1 93 94 LEU . 25175 1 94 95 PRO . 25175 1 95 96 GLU . 25175 1 96 97 SER . 25175 1 97 98 ASP . 25175 1 98 99 LYS . 25175 1 99 100 GLY . 25175 1 100 101 ALA . 25175 1 101 102 VAL . 25175 1 102 103 LYS . 25175 1 103 104 ALA . 25175 1 104 105 LEU . 25175 1 105 106 ARG . 25175 1 106 107 LEU . 25175 1 107 108 GLN . 25175 1 108 109 ASN . 25175 1 109 110 PHE . 25175 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 . TYR 1 1 25175 1 . GLN 2 2 25175 1 . THR 3 3 25175 1 . SER 4 4 25175 1 . HIS 5 5 25175 1 . LYS 6 6 25175 1 . LYS 7 7 25175 1 . VAL 8 8 25175 1 . ARG 9 9 25175 1 . PHE 10 10 25175 1 . ASP 11 11 25175 1 . GLU 12 12 25175 1 . GLY 13 13 25175 1 . SER 14 14 25175 1 . TYR 15 15 25175 1 . THR 16 16 25175 1 . ASN 17 17 25175 1 . PHE 18 18 25175 1 . ILE 19 19 25175 1 . TYR 20 20 25175 1 . ASP 21 21 25175 1 . ASN 22 22 25175 1 . LYS 23 23 25175 1 . SER 24 24 25175 1 . TYR 25 25 25175 1 . PHE 26 26 25175 1 . VAL 27 27 25175 1 . THR 28 28 25175 1 . ASP 29 29 25175 1 . LYS 30 30 25175 1 . GLU 31 31 25175 1 . ILE 32 32 25175 1 . PRO 33 33 25175 1 . GLN 34 34 25175 1 . GLU 35 35 25175 1 . ASN 36 36 25175 1 . VAL 37 37 25175 1 . ASN 38 38 25175 1 . ASN 39 39 25175 1 . SER 40 40 25175 1 . LYS 41 41 25175 1 . VAL 42 42 25175 1 . LYS 43 43 25175 1 . PHE 44 44 25175 1 . TYR 45 45 25175 1 . LYS 46 46 25175 1 . LEU 47 47 25175 1 . LEU 48 48 25175 1 . ILE 49 49 25175 1 . VAL 50 50 25175 1 . ASP 51 51 25175 1 . MET 52 52 25175 1 . LYS 53 53 25175 1 . SER 54 54 25175 1 . GLU 55 55 25175 1 . LYS 56 56 25175 1 . LEU 57 57 25175 1 . LEU 58 58 25175 1 . SER 59 59 25175 1 . SER 60 60 25175 1 . SER 61 61 25175 1 . ASN 62 62 25175 1 . LYS 63 63 25175 1 . ASN 64 64 25175 1 . SER 65 65 25175 1 . VAL 66 66 25175 1 . THR 67 67 25175 1 . LEU 68 68 25175 1 . VAL 69 69 25175 1 . LEU 70 70 25175 1 . ASN 71 71 25175 1 . ASN 72 72 25175 1 . ILE 73 73 25175 1 . TYR 74 74 25175 1 . GLU 75 75 25175 1 . ALA 76 76 25175 1 . SER 77 77 25175 1 . ASP 78 78 25175 1 . LYS 79 79 25175 1 . SER 80 80 25175 1 . LEU 81 81 25175 1 . CYS 82 82 25175 1 . MET 83 83 25175 1 . GLY 84 84 25175 1 . ILE 85 85 25175 1 . ASN 86 86 25175 1 . ASP 87 87 25175 1 . ARG 88 88 25175 1 . TYR 89 89 25175 1 . TYR 90 90 25175 1 . LYS 91 91 25175 1 . ILE 92 92 25175 1 . LEU 93 93 25175 1 . PRO 94 94 25175 1 . GLU 95 95 25175 1 . SER 96 96 25175 1 . ASP 97 97 25175 1 . LYS 98 98 25175 1 . GLY 99 99 25175 1 . ALA 100 100 25175 1 . VAL 101 101 25175 1 . LYS 102 102 25175 1 . ALA 103 103 25175 1 . LEU 104 104 25175 1 . ARG 105 105 25175 1 . LEU 106 106 25175 1 . GLN 107 107 25175 1 . ASN 108 108 25175 1 . PHE 109 109 25175 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 25175 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $NisI . 1358 organism . 'Lactococcus lactis' firmicutes . . Bacteria . Lactococcus lactis . . . . . . . . . . . . . 25175 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 25175 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $NisI . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET11a-SUMO . . . 25175 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 25175 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25175 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25175 1 3 DSS 'natural abundance' . . . . . . 30 . . uM . . . . 25175 1 4 NisI2-110 [U-15N] . . 1 $NisI . . 400 . . uM . . . . 25175 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25175 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25175 1 stop_ save_ save_15N13C _Sample.Sf_category sample _Sample.Sf_framecode 15N13C _Sample.Entry_ID 25175 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25175 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25175 2 3 DSS 'natural abundance' . . . . . . 30 . . uM . . . . 25175 2 4 NisI2-110 '[U-13C; U-15N]' . . 1 $NisI . . 400 . . uM . . . . 25175 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25175 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25175 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25175 _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 'ionic strength' 100 . mM 25175 1 pH 6.5 . pH 25175 1 pressure 1 . atm 25175 1 temperature 298 . K 25175 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 25175 _Software.ID 1 _Software.Name CCPN_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25175 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25175 1 'data analysis' 25175 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25175 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25175 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25175 2 'data analysis' 25175 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25175 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25175 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25175 3 'data analysis' 25175 3 processing 25175 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25175 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25175 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25175 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 25175 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 25175 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25175 _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 spectrometer_1 Bruker Avance . 600 . . . 25175 1 2 spectrometer_2 Bruker Avance . 700 . . . 25175 1 3 spectrometer_3 Bruker Avance . 800 . . . 25175 1 4 spectrometer_4 Bruker Avance . 950 . . . 25175 1 5 spectrometer_5 Bruker Avance . 900 . . . 25175 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 25175 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25175 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25175 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25175 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25175 1 5 '3D HNCO' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25175 1 6 '3D HNCACB' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25175 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25175 1 8 '3D H(CCO)NH' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25175 1 9 '3D C(CO)NH' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25175 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25175 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25175 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25175 1 13 '3D HNCACO' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25175 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25175 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25175 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25175 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25175 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25175 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 25175 1 3 '2D 1H-13C HSQC aromatic' . . . 25175 1 4 '3D CBCA(CO)NH' . . . 25175 1 5 '3D HNCO' . . . 25175 1 6 '3D HNCACB' . . . 25175 1 7 '3D HBHA(CO)NH' . . . 25175 1 8 '3D H(CCO)NH' . . . 25175 1 9 '3D C(CO)NH' . . . 25175 1 11 '3D 1H-13C NOESY aliphatic' . . . 25175 1 12 '3D 1H-13C NOESY aromatic' . . . 25175 1 13 '3D HNCACO' . . . 25175 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLN HA H 1 4.452 0.05 . 1 . . . . 3 Gln HA . 25175 1 2 . 1 1 2 2 GLN HB2 H 1 2.079 0.05 . 2 . . . . 3 Gln HB2 . 25175 1 3 . 1 1 2 2 GLN HB3 H 1 1.964 0.05 . 2 . . . . 3 Gln HB3 . 25175 1 4 . 1 1 2 2 GLN HG2 H 1 2.320 0.05 . 1 . . . . 3 Gln HG2 . 25175 1 5 . 1 1 2 2 GLN HG3 H 1 2.320 0.05 . 1 . . . . 3 Gln HG3 . 25175 1 6 . 1 1 2 2 GLN HE21 H 1 7.570 0.05 . 1 . . . . 3 Gln HE21 . 25175 1 7 . 1 1 2 2 GLN HE22 H 1 6.900 0.05 . 1 . . . . 3 Gln HE22 . 25175 1 8 . 1 1 2 2 GLN C C 13 175.446 0.20 . 1 . . . . 3 Gln C . 25175 1 9 . 1 1 2 2 GLN CA C 13 55.585 0.20 . 1 . . . . 3 Gln CA . 25175 1 10 . 1 1 2 2 GLN CB C 13 29.958 0.20 . 1 . . . . 3 Gln CB . 25175 1 11 . 1 1 2 2 GLN CG C 13 33.695 0.20 . 1 . . . . 3 Gln CG . 25175 1 12 . 1 1 2 2 GLN NE2 N 15 112.585 0.30 . 1 . . . . 3 Gln NE2 . 25175 1 13 . 1 1 3 3 THR H H 1 8.407 0.05 . 1 . . . . 4 Thr H . 25175 1 14 . 1 1 3 3 THR HA H 1 4.365 0.05 . 1 . . . . 4 Thr HA . 25175 1 15 . 1 1 3 3 THR HB H 1 4.235 0.05 . 1 . . . . 4 Thr HB . 25175 1 16 . 1 1 3 3 THR HG21 H 1 1.220 0.05 . 1 . . . . 4 Thr HG21 . 25175 1 17 . 1 1 3 3 THR HG22 H 1 1.220 0.05 . 1 . . . . 4 Thr HG22 . 25175 1 18 . 1 1 3 3 THR HG23 H 1 1.220 0.05 . 1 . . . . 4 Thr HG23 . 25175 1 19 . 1 1 3 3 THR C C 13 174.507 0.20 . 1 . . . . 4 Thr C . 25175 1 20 . 1 1 3 3 THR CA C 13 62.018 0.20 . 1 . . . . 4 Thr CA . 25175 1 21 . 1 1 3 3 THR CB C 13 69.849 0.20 . 1 . . . . 4 Thr CB . 25175 1 22 . 1 1 3 3 THR CG2 C 13 21.585 0.20 . 1 . . . . 4 Thr CG2 . 25175 1 23 . 1 1 3 3 THR N N 15 116.436 0.30 . 1 . . . . 4 Thr N . 25175 1 24 . 1 1 4 4 SER H H 1 8.431 0.05 . 1 . . . . 5 Ser H . 25175 1 25 . 1 1 4 4 SER C C 13 174.508 0.20 . 1 . . . . 5 Ser C . 25175 1 26 . 1 1 4 4 SER N N 15 118.038 0.30 . 1 . . . . 5 Ser N . 25175 1 27 . 1 1 5 5 HIS HA H 1 4.734 0.05 . 1 . . . . 6 His HA . 25175 1 28 . 1 1 5 5 HIS HB2 H 1 3.256 0.05 . 2 . . . . 6 His HB2 . 25175 1 29 . 1 1 5 5 HIS HB3 H 1 3.147 0.05 . 2 . . . . 6 His HB3 . 25175 1 30 . 1 1 5 5 HIS HD2 H 1 7.153 0.05 . 1 . . . . 6 His HD2 . 25175 1 31 . 1 1 5 5 HIS HE1 H 1 8.075 0.05 . 1 . . . . 6 His HE1 . 25175 1 32 . 1 1 5 5 HIS C C 13 175.356 0.20 . 1 . . . . 6 His C . 25175 1 33 . 1 1 5 5 HIS CA C 13 56.192 0.20 . 1 . . . . 6 His CA . 25175 1 34 . 1 1 5 5 HIS CB C 13 30.532 0.20 . 1 . . . . 6 His CB . 25175 1 35 . 1 1 5 5 HIS CD2 C 13 119.869 0.20 . 1 . . . . 6 His CD2 . 25175 1 36 . 1 1 5 5 HIS CE1 C 13 137.947 0.20 . 1 . . . . 6 His CE1 . 25175 1 37 . 1 1 6 6 LYS H H 1 8.373 0.05 . 1 . . . . 7 Lys H . 25175 1 38 . 1 1 6 6 LYS HA H 1 4.353 0.05 . 1 . . . . 7 Lys HA . 25175 1 39 . 1 1 6 6 LYS HB2 H 1 1.875 0.05 . 2 . . . . 7 Lys HB2 . 25175 1 40 . 1 1 6 6 LYS HB3 H 1 1.787 0.05 . 2 . . . . 7 Lys HB3 . 25175 1 41 . 1 1 6 6 LYS HG2 H 1 1.483 0.05 . 2 . . . . 7 Lys HG2 . 25175 1 42 . 1 1 6 6 LYS HG3 H 1 1.413 0.05 . 2 . . . . 7 Lys HG3 . 25175 1 43 . 1 1 6 6 LYS HD2 H 1 1.690 0.05 . 1 . . . . 7 Lys HD2 . 25175 1 44 . 1 1 6 6 LYS HD3 H 1 1.690 0.05 . 1 . . . . 7 Lys HD3 . 25175 1 45 . 1 1 6 6 LYS HE2 H 1 3.037 0.05 . 1 . . . . 7 Lys HE2 . 25175 1 46 . 1 1 6 6 LYS HE3 H 1 3.037 0.05 . 1 . . . . 7 Lys HE3 . 25175 1 47 . 1 1 6 6 LYS C C 13 176.198 0.20 . 1 . . . . 7 Lys C . 25175 1 48 . 1 1 6 6 LYS CA C 13 56.383 0.20 . 1 . . . . 7 Lys CA . 25175 1 49 . 1 1 6 6 LYS CB C 13 32.955 0.20 . 1 . . . . 7 Lys CB . 25175 1 50 . 1 1 6 6 LYS CG C 13 25.130 0.20 . 1 . . . . 7 Lys CG . 25175 1 51 . 1 1 6 6 LYS CD C 13 29.103 0.20 . 1 . . . . 7 Lys CD . 25175 1 52 . 1 1 6 6 LYS CE C 13 42.212 0.20 . 1 . . . . 7 Lys CE . 25175 1 53 . 1 1 6 6 LYS N N 15 122.271 0.30 . 1 . . . . 7 Lys N . 25175 1 54 . 1 1 7 7 LYS H H 1 8.527 0.05 . 1 . . . . 8 Lys H . 25175 1 55 . 1 1 7 7 LYS HA H 1 4.432 0.05 . 1 . . . . 8 Lys HA . 25175 1 56 . 1 1 7 7 LYS HB2 H 1 1.835 0.05 . 2 . . . . 8 Lys HB2 . 25175 1 57 . 1 1 7 7 LYS HB3 H 1 1.866 0.05 . 2 . . . . 8 Lys HB3 . 25175 1 58 . 1 1 7 7 LYS HG2 H 1 1.497 0.05 . 2 . . . . 8 Lys HG2 . 25175 1 59 . 1 1 7 7 LYS HG3 H 1 1.584 0.05 . 2 . . . . 8 Lys HG3 . 25175 1 60 . 1 1 7 7 LYS HD2 H 1 1.798 0.05 . 2 . . . . 8 Lys HD2 . 25175 1 61 . 1 1 7 7 LYS HD3 H 1 1.760 0.05 . 2 . . . . 8 Lys HD3 . 25175 1 62 . 1 1 7 7 LYS HE2 H 1 3.064 0.05 . 1 . . . . 8 Lys HE2 . 25175 1 63 . 1 1 7 7 LYS HE3 H 1 3.064 0.05 . 1 . . . . 8 Lys HE3 . 25175 1 64 . 1 1 7 7 LYS C C 13 176.199 0.20 . 1 . . . . 8 Lys C . 25175 1 65 . 1 1 7 7 LYS CA C 13 56.800 0.20 . 1 . . . . 8 Lys CA . 25175 1 66 . 1 1 7 7 LYS CB C 13 34.413 0.20 . 1 . . . . 8 Lys CB . 25175 1 67 . 1 1 7 7 LYS CG C 13 25.091 0.20 . 1 . . . . 8 Lys CG . 25175 1 68 . 1 1 7 7 LYS CD C 13 28.984 0.20 . 1 . . . . 8 Lys CD . 25175 1 69 . 1 1 7 7 LYS CE C 13 42.184 0.20 . 1 . . . . 8 Lys CE . 25175 1 70 . 1 1 7 7 LYS N N 15 120.952 0.30 . 1 . . . . 8 Lys N . 25175 1 71 . 1 1 8 8 VAL H H 1 8.051 0.05 . 1 . . . . 9 Val H . 25175 1 72 . 1 1 8 8 VAL HA H 1 4.629 0.05 . 1 . . . . 9 Val HA . 25175 1 73 . 1 1 8 8 VAL HB H 1 1.154 0.05 . 1 . . . . 9 Val HB . 25175 1 74 . 1 1 8 8 VAL HG11 H 1 -0.134 0.05 . 2 . . . . 9 Val HG11 . 25175 1 75 . 1 1 8 8 VAL HG12 H 1 -0.134 0.05 . 2 . . . . 9 Val HG12 . 25175 1 76 . 1 1 8 8 VAL HG13 H 1 -0.134 0.05 . 2 . . . . 9 Val HG13 . 25175 1 77 . 1 1 8 8 VAL HG21 H 1 0.331 0.05 . 2 . . . . 9 Val HG21 . 25175 1 78 . 1 1 8 8 VAL HG22 H 1 0.331 0.05 . 2 . . . . 9 Val HG22 . 25175 1 79 . 1 1 8 8 VAL HG23 H 1 0.331 0.05 . 2 . . . . 9 Val HG23 . 25175 1 80 . 1 1 8 8 VAL C C 13 175.204 0.20 . 1 . . . . 9 Val C . 25175 1 81 . 1 1 8 8 VAL CA C 13 61.567 0.20 . 1 . . . . 9 Val CA . 25175 1 82 . 1 1 8 8 VAL CB C 13 33.483 0.20 . 1 . . . . 9 Val CB . 25175 1 83 . 1 1 8 8 VAL CG1 C 13 20.691 0.20 . 2 . . . . 9 Val CG1 . 25175 1 84 . 1 1 8 8 VAL CG2 C 13 21.865 0.20 . 2 . . . . 9 Val CG2 . 25175 1 85 . 1 1 8 8 VAL N N 15 120.461 0.30 . 1 . . . . 9 Val N . 25175 1 86 . 1 1 9 9 ARG H H 1 8.524 0.05 . 1 . . . . 10 Arg H . 25175 1 87 . 1 1 9 9 ARG HA H 1 4.852 0.05 . 1 . . . . 10 Arg HA . 25175 1 88 . 1 1 9 9 ARG HB2 H 1 1.796 0.05 . 2 . . . . 10 Arg HB2 . 25175 1 89 . 1 1 9 9 ARG HB3 H 1 1.677 0.05 . 2 . . . . 10 Arg HB3 . 25175 1 90 . 1 1 9 9 ARG HG2 H 1 1.561 0.05 . 1 . . . . 10 Arg HG2 . 25175 1 91 . 1 1 9 9 ARG HG3 H 1 1.561 0.05 . 1 . . . . 10 Arg HG3 . 25175 1 92 . 1 1 9 9 ARG HD2 H 1 3.220 0.05 . 1 . . . . 10 Arg HD2 . 25175 1 93 . 1 1 9 9 ARG HD3 H 1 3.220 0.05 . 1 . . . . 10 Arg HD3 . 25175 1 94 . 1 1 9 9 ARG C C 13 176.012 0.20 . 1 . . . . 10 Arg C . 25175 1 95 . 1 1 9 9 ARG CA C 13 54.775 0.20 . 1 . . . . 10 Arg CA . 25175 1 96 . 1 1 9 9 ARG CB C 13 33.099 0.20 . 1 . . . . 10 Arg CB . 25175 1 97 . 1 1 9 9 ARG CG C 13 27.123 0.20 . 1 . . . . 10 Arg CG . 25175 1 98 . 1 1 9 9 ARG CD C 13 43.762 0.20 . 1 . . . . 10 Arg CD . 25175 1 99 . 1 1 9 9 ARG N N 15 126.296 0.30 . 1 . . . . 10 Arg N . 25175 1 100 . 1 1 10 10 PHE H H 1 9.605 0.05 . 1 . . . . 11 Phe H . 25175 1 101 . 1 1 10 10 PHE HA H 1 4.474 0.05 . 1 . . . . 11 Phe HA . 25175 1 102 . 1 1 10 10 PHE HB2 H 1 2.997 0.05 . 2 . . . . 11 Phe HB2 . 25175 1 103 . 1 1 10 10 PHE HB3 H 1 3.220 0.05 . 2 . . . . 11 Phe HB3 . 25175 1 104 . 1 1 10 10 PHE HD1 H 1 7.031 0.05 . 3 . . . . 11 Phe HD1 . 25175 1 105 . 1 1 10 10 PHE HD2 H 1 7.031 0.05 . 3 . . . . 11 Phe HD2 . 25175 1 106 . 1 1 10 10 PHE HE1 H 1 6.580 0.05 . 3 . . . . 11 Phe HE1 . 25175 1 107 . 1 1 10 10 PHE HE2 H 1 6.580 0.05 . 3 . . . . 11 Phe HE2 . 25175 1 108 . 1 1 10 10 PHE C C 13 176.398 0.20 . 1 . . . . 11 Phe C . 25175 1 109 . 1 1 10 10 PHE CA C 13 58.998 0.20 . 1 . . . . 11 Phe CA . 25175 1 110 . 1 1 10 10 PHE CB C 13 40.092 0.20 . 1 . . . . 11 Phe CB . 25175 1 111 . 1 1 10 10 PHE CD1 C 13 130.901 0.20 . 3 . . . . 11 Phe CD1 . 25175 1 112 . 1 1 10 10 PHE CD2 C 13 130.901 0.20 . 3 . . . . 11 Phe CD2 . 25175 1 113 . 1 1 10 10 PHE CE1 C 13 130.589 0.20 . 3 . . . . 11 Phe CE1 . 25175 1 114 . 1 1 10 10 PHE CE2 C 13 130.589 0.20 . 3 . . . . 11 Phe CE2 . 25175 1 115 . 1 1 10 10 PHE N N 15 130.314 0.30 . 1 . . . . 11 Phe N . 25175 1 116 . 1 1 11 11 ASP H H 1 8.806 0.05 . 1 . . . . 12 Asp H . 25175 1 117 . 1 1 11 11 ASP HA H 1 4.505 0.05 . 1 . . . . 12 Asp HA . 25175 1 118 . 1 1 11 11 ASP HB2 H 1 2.561 0.05 . 2 . . . . 12 Asp HB2 . 25175 1 119 . 1 1 11 11 ASP HB3 H 1 2.721 0.05 . 2 . . . . 12 Asp HB3 . 25175 1 120 . 1 1 11 11 ASP C C 13 176.947 0.20 . 1 . . . . 12 Asp C . 25175 1 121 . 1 1 11 11 ASP CA C 13 54.341 0.20 . 1 . . . . 12 Asp CA . 25175 1 122 . 1 1 11 11 ASP CB C 13 40.883 0.20 . 1 . . . . 12 Asp CB . 25175 1 123 . 1 1 11 11 ASP N N 15 124.462 0.30 . 1 . . . . 12 Asp N . 25175 1 124 . 1 1 12 12 GLU H H 1 8.758 0.05 . 1 . . . . 13 Glu H . 25175 1 125 . 1 1 12 12 GLU HA H 1 4.165 0.05 . 1 . . . . 13 Glu HA . 25175 1 126 . 1 1 12 12 GLU HB2 H 1 2.039 0.05 . 1 . . . . 13 Glu HB2 . 25175 1 127 . 1 1 12 12 GLU HB3 H 1 2.039 0.05 . 1 . . . . 13 Glu HB3 . 25175 1 128 . 1 1 12 12 GLU HG2 H 1 2.354 0.05 . 1 . . . . 13 Glu HG2 . 25175 1 129 . 1 1 12 12 GLU HG3 H 1 2.354 0.05 . 1 . . . . 13 Glu HG3 . 25175 1 130 . 1 1 12 12 GLU C C 13 178.261 0.20 . 1 . . . . 13 Glu C . 25175 1 131 . 1 1 12 12 GLU CA C 13 57.886 0.20 . 1 . . . . 13 Glu CA . 25175 1 132 . 1 1 12 12 GLU CB C 13 29.331 0.20 . 1 . . . . 13 Glu CB . 25175 1 133 . 1 1 12 12 GLU CG C 13 36.054 0.20 . 1 . . . . 13 Glu CG . 25175 1 134 . 1 1 12 12 GLU N N 15 123.494 0.30 . 1 . . . . 13 Glu N . 25175 1 135 . 1 1 13 13 GLY H H 1 9.037 0.05 . 1 . . . . 14 Gly H . 25175 1 136 . 1 1 13 13 GLY HA2 H 1 3.905 0.05 . 2 . . . . 14 Gly HA2 . 25175 1 137 . 1 1 13 13 GLY HA3 H 1 4.230 0.05 . 2 . . . . 14 Gly HA3 . 25175 1 138 . 1 1 13 13 GLY C C 13 173.196 0.20 . 1 . . . . 14 Gly C . 25175 1 139 . 1 1 13 13 GLY CA C 13 46.170 0.20 . 1 . . . . 14 Gly CA . 25175 1 140 . 1 1 13 13 GLY N N 15 111.782 0.30 . 1 . . . . 14 Gly N . 25175 1 141 . 1 1 14 14 SER H H 1 7.849 0.05 . 1 . . . . 15 Ser H . 25175 1 142 . 1 1 14 14 SER HA H 1 4.883 0.05 . 1 . . . . 15 Ser HA . 25175 1 143 . 1 1 14 14 SER HB2 H 1 4.067 0.05 . 2 . . . . 15 Ser HB2 . 25175 1 144 . 1 1 14 14 SER HB3 H 1 3.878 0.05 . 2 . . . . 15 Ser HB3 . 25175 1 145 . 1 1 14 14 SER C C 13 173.946 0.20 . 1 . . . . 15 Ser C . 25175 1 146 . 1 1 14 14 SER CA C 13 56.723 0.20 . 1 . . . . 15 Ser CA . 25175 1 147 . 1 1 14 14 SER CB C 13 66.854 0.20 . 1 . . . . 15 Ser CB . 25175 1 148 . 1 1 14 14 SER N N 15 113.801 0.30 . 1 . . . . 15 Ser N . 25175 1 149 . 1 1 15 15 TYR H H 1 8.190 0.05 . 1 . . . . 16 Tyr H . 25175 1 150 . 1 1 15 15 TYR HA H 1 4.990 0.05 . 1 . . . . 16 Tyr HA . 25175 1 151 . 1 1 15 15 TYR HB2 H 1 3.222 0.05 . 2 . . . . 16 Tyr HB2 . 25175 1 152 . 1 1 15 15 TYR HB3 H 1 2.367 0.05 . 2 . . . . 16 Tyr HB3 . 25175 1 153 . 1 1 15 15 TYR HD1 H 1 6.953 0.05 . 3 . . . . 16 Tyr HD1 . 25175 1 154 . 1 1 15 15 TYR HD2 H 1 6.953 0.05 . 3 . . . . 16 Tyr HD2 . 25175 1 155 . 1 1 15 15 TYR HE1 H 1 6.699 0.05 . 3 . . . . 16 Tyr HE1 . 25175 1 156 . 1 1 15 15 TYR HE2 H 1 6.699 0.05 . 3 . . . . 16 Tyr HE2 . 25175 1 157 . 1 1 15 15 TYR C C 13 171.507 0.20 . 1 . . . . 16 Tyr C . 25175 1 158 . 1 1 15 15 TYR CA C 13 56.466 0.20 . 1 . . . . 16 Tyr CA . 25175 1 159 . 1 1 15 15 TYR CB C 13 39.028 0.20 . 1 . . . . 16 Tyr CB . 25175 1 160 . 1 1 15 15 TYR CD1 C 13 134.751 0.20 . 3 . . . . 16 Tyr CD1 . 25175 1 161 . 1 1 15 15 TYR CD2 C 13 134.751 0.20 . 3 . . . . 16 Tyr CD2 . 25175 1 162 . 1 1 15 15 TYR CE1 C 13 118.440 0.20 . 3 . . . . 16 Tyr CE1 . 25175 1 163 . 1 1 15 15 TYR CE2 C 13 118.440 0.20 . 3 . . . . 16 Tyr CE2 . 25175 1 164 . 1 1 15 15 TYR N N 15 119.916 0.30 . 1 . . . . 16 Tyr N . 25175 1 165 . 1 1 16 16 THR H H 1 7.741 0.05 . 1 . . . . 17 Thr H . 25175 1 166 . 1 1 16 16 THR HA H 1 4.804 0.05 . 1 . . . . 17 Thr HA . 25175 1 167 . 1 1 16 16 THR HB H 1 4.450 0.05 . 1 . . . . 17 Thr HB . 25175 1 168 . 1 1 16 16 THR HG21 H 1 0.909 0.05 . 1 . . . . 17 Thr HG21 . 25175 1 169 . 1 1 16 16 THR HG22 H 1 0.909 0.05 . 1 . . . . 17 Thr HG22 . 25175 1 170 . 1 1 16 16 THR HG23 H 1 0.909 0.05 . 1 . . . . 17 Thr HG23 . 25175 1 171 . 1 1 16 16 THR C C 13 174.606 0.20 . 1 . . . . 17 Thr C . 25175 1 172 . 1 1 16 16 THR CA C 13 62.137 0.20 . 1 . . . . 17 Thr CA . 25175 1 173 . 1 1 16 16 THR CB C 13 71.723 0.20 . 1 . . . . 17 Thr CB . 25175 1 174 . 1 1 16 16 THR CG2 C 13 23.398 0.20 . 1 . . . . 17 Thr CG2 . 25175 1 175 . 1 1 16 16 THR N N 15 103.466 0.30 . 1 . . . . 17 Thr N . 25175 1 176 . 1 1 17 17 ASN H H 1 8.294 0.05 . 1 . . . . 18 Asn H . 25175 1 177 . 1 1 17 17 ASN HA H 1 5.453 0.05 . 1 . . . . 18 Asn HA . 25175 1 178 . 1 1 17 17 ASN HB2 H 1 2.746 0.05 . 2 . . . . 18 Asn HB2 . 25175 1 179 . 1 1 17 17 ASN HB3 H 1 2.868 0.05 . 2 . . . . 18 Asn HB3 . 25175 1 180 . 1 1 17 17 ASN HD21 H 1 6.706 0.05 . 1 . . . . 18 Asn HD21 . 25175 1 181 . 1 1 17 17 ASN HD22 H 1 7.813 0.05 . 1 . . . . 18 Asn HD22 . 25175 1 182 . 1 1 17 17 ASN C C 13 173.590 0.20 . 1 . . . . 18 Asn C . 25175 1 183 . 1 1 17 17 ASN CA C 13 52.821 0.20 . 1 . . . . 18 Asn CA . 25175 1 184 . 1 1 17 17 ASN CB C 13 39.502 0.20 . 1 . . . . 18 Asn CB . 25175 1 185 . 1 1 17 17 ASN N N 15 121.582 0.30 . 1 . . . . 18 Asn N . 25175 1 186 . 1 1 17 17 ASN ND2 N 15 113.650 0.30 . 1 . . . . 18 Asn ND2 . 25175 1 187 . 1 1 18 18 PHE H H 1 8.288 0.05 . 1 . . . . 19 Phe H . 25175 1 188 . 1 1 18 18 PHE HA H 1 4.911 0.05 . 1 . . . . 19 Phe HA . 25175 1 189 . 1 1 18 18 PHE HB2 H 1 1.783 0.05 . 2 . . . . 19 Phe HB2 . 25175 1 190 . 1 1 18 18 PHE HB3 H 1 1.283 0.05 . 2 . . . . 19 Phe HB3 . 25175 1 191 . 1 1 18 18 PHE HD1 H 1 6.538 0.05 . 3 . . . . 19 Phe HD1 . 25175 1 192 . 1 1 18 18 PHE HD2 H 1 6.538 0.05 . 3 . . . . 19 Phe HD2 . 25175 1 193 . 1 1 18 18 PHE HE1 H 1 6.673 0.05 . 3 . . . . 19 Phe HE1 . 25175 1 194 . 1 1 18 18 PHE HE2 H 1 6.673 0.05 . 3 . . . . 19 Phe HE2 . 25175 1 195 . 1 1 18 18 PHE C C 13 171.602 0.20 . 1 . . . . 19 Phe C . 25175 1 196 . 1 1 18 18 PHE CA C 13 55.075 0.20 . 1 . . . . 19 Phe CA . 25175 1 197 . 1 1 18 18 PHE CB C 13 40.900 0.20 . 1 . . . . 19 Phe CB . 25175 1 198 . 1 1 18 18 PHE CD1 C 13 132.862 0.20 . 3 . . . . 19 Phe CD1 . 25175 1 199 . 1 1 18 18 PHE CD2 C 13 132.862 0.20 . 3 . . . . 19 Phe CD2 . 25175 1 200 . 1 1 18 18 PHE CE1 C 13 129.227 0.20 . 3 . . . . 19 Phe CE1 . 25175 1 201 . 1 1 18 18 PHE CE2 C 13 129.227 0.20 . 3 . . . . 19 Phe CE2 . 25175 1 202 . 1 1 18 18 PHE N N 15 117.713 0.30 . 1 . . . . 19 Phe N . 25175 1 203 . 1 1 19 19 ILE H H 1 8.575 0.05 . 1 . . . . 20 Ile H . 25175 1 204 . 1 1 19 19 ILE HA H 1 4.950 0.05 . 1 . . . . 20 Ile HA . 25175 1 205 . 1 1 19 19 ILE HB H 1 1.639 0.05 . 1 . . . . 20 Ile HB . 25175 1 206 . 1 1 19 19 ILE HG12 H 1 1.637 0.05 . 2 . . . . 20 Ile HG12 . 25175 1 207 . 1 1 19 19 ILE HG13 H 1 1.523 0.05 . 2 . . . . 20 Ile HG13 . 25175 1 208 . 1 1 19 19 ILE HG21 H 1 0.779 0.05 . 1 . . . . 20 Ile HG21 . 25175 1 209 . 1 1 19 19 ILE HG22 H 1 0.779 0.05 . 1 . . . . 20 Ile HG22 . 25175 1 210 . 1 1 19 19 ILE HG23 H 1 0.779 0.05 . 1 . . . . 20 Ile HG23 . 25175 1 211 . 1 1 19 19 ILE HD11 H 1 0.733 0.05 . 1 . . . . 20 Ile HD11 . 25175 1 212 . 1 1 19 19 ILE HD12 H 1 0.733 0.05 . 1 . . . . 20 Ile HD12 . 25175 1 213 . 1 1 19 19 ILE HD13 H 1 0.733 0.05 . 1 . . . . 20 Ile HD13 . 25175 1 214 . 1 1 19 19 ILE C C 13 175.634 0.20 . 1 . . . . 20 Ile C . 25175 1 215 . 1 1 19 19 ILE CA C 13 58.909 0.20 . 1 . . . . 20 Ile CA . 25175 1 216 . 1 1 19 19 ILE CB C 13 39.954 0.20 . 1 . . . . 20 Ile CB . 25175 1 217 . 1 1 19 19 ILE CG1 C 13 27.661 0.20 . 1 . . . . 20 Ile CG1 . 25175 1 218 . 1 1 19 19 ILE CG2 C 13 17.278 0.20 . 1 . . . . 20 Ile CG2 . 25175 1 219 . 1 1 19 19 ILE CD1 C 13 12.579 0.20 . 1 . . . . 20 Ile CD1 . 25175 1 220 . 1 1 19 19 ILE N N 15 119.494 0.30 . 1 . . . . 20 Ile N . 25175 1 221 . 1 1 20 20 TYR H H 1 9.046 0.05 . 1 . . . . 21 Tyr H . 25175 1 222 . 1 1 20 20 TYR HA H 1 5.215 0.05 . 1 . . . . 21 Tyr HA . 25175 1 223 . 1 1 20 20 TYR HB2 H 1 2.987 0.05 . 2 . . . . 21 Tyr HB2 . 25175 1 224 . 1 1 20 20 TYR HB3 H 1 2.489 0.05 . 2 . . . . 21 Tyr HB3 . 25175 1 225 . 1 1 20 20 TYR HD1 H 1 6.608 0.05 . 3 . . . . 21 Tyr HD1 . 25175 1 226 . 1 1 20 20 TYR HD2 H 1 6.608 0.05 . 3 . . . . 21 Tyr HD2 . 25175 1 227 . 1 1 20 20 TYR HE1 H 1 6.515 0.05 . 3 . . . . 21 Tyr HE1 . 25175 1 228 . 1 1 20 20 TYR HE2 H 1 6.515 0.05 . 3 . . . . 21 Tyr HE2 . 25175 1 229 . 1 1 20 20 TYR C C 13 174.697 0.20 . 1 . . . . 21 Tyr C . 25175 1 230 . 1 1 20 20 TYR CA C 13 55.673 0.20 . 1 . . . . 21 Tyr CA . 25175 1 231 . 1 1 20 20 TYR CB C 13 41.089 0.20 . 1 . . . . 21 Tyr CB . 25175 1 232 . 1 1 20 20 TYR CD1 C 13 132.375 0.20 . 3 . . . . 21 Tyr CD1 . 25175 1 233 . 1 1 20 20 TYR CD2 C 13 132.375 0.20 . 3 . . . . 21 Tyr CD2 . 25175 1 234 . 1 1 20 20 TYR CE1 C 13 118.046 0.20 . 3 . . . . 21 Tyr CE1 . 25175 1 235 . 1 1 20 20 TYR CE2 C 13 118.046 0.20 . 3 . . . . 21 Tyr CE2 . 25175 1 236 . 1 1 20 20 TYR N N 15 127.473 0.30 . 1 . . . . 21 Tyr N . 25175 1 237 . 1 1 21 21 ASP H H 1 8.898 0.05 . 1 . . . . 22 Asp H . 25175 1 238 . 1 1 21 21 ASP HA H 1 4.013 0.05 . 1 . . . . 22 Asp HA . 25175 1 239 . 1 1 21 21 ASP HB2 H 1 1.230 0.05 . 2 . . . . 22 Asp HB2 . 25175 1 240 . 1 1 21 21 ASP HB3 H 1 2.660 0.05 . 2 . . . . 22 Asp HB3 . 25175 1 241 . 1 1 21 21 ASP C C 13 174.898 0.20 . 1 . . . . 22 Asp C . 25175 1 242 . 1 1 21 21 ASP CA C 13 54.807 0.20 . 1 . . . . 22 Asp CA . 25175 1 243 . 1 1 21 21 ASP CB C 13 39.309 0.20 . 1 . . . . 22 Asp CB . 25175 1 244 . 1 1 21 21 ASP N N 15 130.550 0.30 . 1 . . . . 22 Asp N . 25175 1 245 . 1 1 22 22 ASN H H 1 8.488 0.05 . 1 . . . . 23 Asn H . 25175 1 246 . 1 1 22 22 ASN HA H 1 4.056 0.05 . 1 . . . . 23 Asn HA . 25175 1 247 . 1 1 22 22 ASN HB2 H 1 3.009 0.05 . 2 . . . . 23 Asn HB2 . 25175 1 248 . 1 1 22 22 ASN HB3 H 1 2.886 0.05 . 2 . . . . 23 Asn HB3 . 25175 1 249 . 1 1 22 22 ASN HD21 H 1 7.519 0.05 . 1 . . . . 23 Asn HD21 . 25175 1 250 . 1 1 22 22 ASN HD22 H 1 6.824 0.05 . 1 . . . . 23 Asn HD22 . 25175 1 251 . 1 1 22 22 ASN C C 13 173.759 0.20 . 1 . . . . 23 Asn C . 25175 1 252 . 1 1 22 22 ASN CA C 13 54.987 0.20 . 1 . . . . 23 Asn CA . 25175 1 253 . 1 1 22 22 ASN CB C 13 38.100 0.20 . 1 . . . . 23 Asn CB . 25175 1 254 . 1 1 22 22 ASN N N 15 107.877 0.30 . 1 . . . . 23 Asn N . 25175 1 255 . 1 1 22 22 ASN ND2 N 15 113.649 0.30 . 1 . . . . 23 Asn ND2 . 25175 1 256 . 1 1 23 23 LYS H H 1 7.814 0.05 . 1 . . . . 24 Lys H . 25175 1 257 . 1 1 23 23 LYS HA H 1 4.611 0.05 . 1 . . . . 24 Lys HA . 25175 1 258 . 1 1 23 23 LYS HB2 H 1 1.876 0.05 . 2 . . . . 24 Lys HB2 . 25175 1 259 . 1 1 23 23 LYS HB3 H 1 1.708 0.05 . 2 . . . . 24 Lys HB3 . 25175 1 260 . 1 1 23 23 LYS HG2 H 1 1.330 0.05 . 2 . . . . 24 Lys HG2 . 25175 1 261 . 1 1 23 23 LYS HG3 H 1 1.445 0.05 . 2 . . . . 24 Lys HG3 . 25175 1 262 . 1 1 23 23 LYS HD2 H 1 1.687 0.05 . 1 . . . . 24 Lys HD2 . 25175 1 263 . 1 1 23 23 LYS HD3 H 1 1.687 0.05 . 1 . . . . 24 Lys HD3 . 25175 1 264 . 1 1 23 23 LYS HE2 H 1 3.012 0.05 . 1 . . . . 24 Lys HE2 . 25175 1 265 . 1 1 23 23 LYS HE3 H 1 3.012 0.05 . 1 . . . . 24 Lys HE3 . 25175 1 266 . 1 1 23 23 LYS C C 13 174.412 0.20 . 1 . . . . 24 Lys C . 25175 1 267 . 1 1 23 23 LYS CA C 13 55.144 0.20 . 1 . . . . 24 Lys CA . 25175 1 268 . 1 1 23 23 LYS CB C 13 35.800 0.20 . 1 . . . . 24 Lys CB . 25175 1 269 . 1 1 23 23 LYS CG C 13 24.820 0.20 . 1 . . . . 24 Lys CG . 25175 1 270 . 1 1 23 23 LYS CD C 13 28.989 0.20 . 1 . . . . 24 Lys CD . 25175 1 271 . 1 1 23 23 LYS CE C 13 42.125 0.20 . 1 . . . . 24 Lys CE . 25175 1 272 . 1 1 23 23 LYS N N 15 120.195 0.30 . 1 . . . . 24 Lys N . 25175 1 273 . 1 1 24 24 SER H H 1 8.277 0.05 . 1 . . . . 25 Ser H . 25175 1 274 . 1 1 24 24 SER HA H 1 4.762 0.05 . 1 . . . . 25 Ser HA . 25175 1 275 . 1 1 24 24 SER HB2 H 1 3.825 0.05 . 2 . . . . 25 Ser HB2 . 25175 1 276 . 1 1 24 24 SER HB3 H 1 3.598 0.05 . 2 . . . . 25 Ser HB3 . 25175 1 277 . 1 1 24 24 SER C C 13 174.322 0.20 . 1 . . . . 25 Ser C . 25175 1 278 . 1 1 24 24 SER CA C 13 58.826 0.20 . 1 . . . . 25 Ser CA . 25175 1 279 . 1 1 24 24 SER CB C 13 63.430 0.20 . 1 . . . . 25 Ser CB . 25175 1 280 . 1 1 24 24 SER N N 15 116.907 0.30 . 1 . . . . 25 Ser N . 25175 1 281 . 1 1 25 25 TYR H H 1 9.129 0.05 . 1 . . . . 26 Tyr H . 25175 1 282 . 1 1 25 25 TYR HA H 1 5.059 0.05 . 1 . . . . 26 Tyr HA . 25175 1 283 . 1 1 25 25 TYR HB2 H 1 1.132 0.05 . 2 . . . . 26 Tyr HB2 . 25175 1 284 . 1 1 25 25 TYR HB3 H 1 2.128 0.05 . 2 . . . . 26 Tyr HB3 . 25175 1 285 . 1 1 25 25 TYR HD1 H 1 6.677 0.05 . 3 . . . . 26 Tyr HD1 . 25175 1 286 . 1 1 25 25 TYR HD2 H 1 6.677 0.05 . 3 . . . . 26 Tyr HD2 . 25175 1 287 . 1 1 25 25 TYR HE1 H 1 6.772 0.05 . 3 . . . . 26 Tyr HE1 . 25175 1 288 . 1 1 25 25 TYR HE2 H 1 6.772 0.05 . 3 . . . . 26 Tyr HE2 . 25175 1 289 . 1 1 25 25 TYR C C 13 174.697 0.20 . 1 . . . . 26 Tyr C . 25175 1 290 . 1 1 25 25 TYR CA C 13 56.881 0.20 . 1 . . . . 26 Tyr CA . 25175 1 291 . 1 1 25 25 TYR CB C 13 46.060 0.20 . 1 . . . . 26 Tyr CB . 25175 1 292 . 1 1 25 25 TYR CD1 C 13 133.264 0.20 . 3 . . . . 26 Tyr CD1 . 25175 1 293 . 1 1 25 25 TYR CD2 C 13 133.264 0.20 . 3 . . . . 26 Tyr CD2 . 25175 1 294 . 1 1 25 25 TYR CE1 C 13 117.453 0.20 . 3 . . . . 26 Tyr CE1 . 25175 1 295 . 1 1 25 25 TYR CE2 C 13 117.453 0.20 . 3 . . . . 26 Tyr CE2 . 25175 1 296 . 1 1 25 25 TYR N N 15 128.597 0.30 . 1 . . . . 26 Tyr N . 25175 1 297 . 1 1 26 26 PHE H H 1 9.469 0.05 . 1 . . . . 27 Phe H . 25175 1 298 . 1 1 26 26 PHE HA H 1 6.090 0.05 . 1 . . . . 27 Phe HA . 25175 1 299 . 1 1 26 26 PHE HB2 H 1 2.906 0.05 . 2 . . . . 27 Phe HB2 . 25175 1 300 . 1 1 26 26 PHE HB3 H 1 3.020 0.05 . 2 . . . . 27 Phe HB3 . 25175 1 301 . 1 1 26 26 PHE HD1 H 1 6.940 0.05 . 3 . . . . 27 Phe HD1 . 25175 1 302 . 1 1 26 26 PHE HD2 H 1 6.940 0.05 . 3 . . . . 27 Phe HD2 . 25175 1 303 . 1 1 26 26 PHE C C 13 173.666 0.20 . 1 . . . . 27 Phe C . 25175 1 304 . 1 1 26 26 PHE CA C 13 55.389 0.20 . 1 . . . . 27 Phe CA . 25175 1 305 . 1 1 26 26 PHE CB C 13 43.275 0.20 . 1 . . . . 27 Phe CB . 25175 1 306 . 1 1 26 26 PHE CD1 C 13 132.198 0.20 . 3 . . . . 27 Phe CD1 . 25175 1 307 . 1 1 26 26 PHE CD2 C 13 132.198 0.20 . 3 . . . . 27 Phe CD2 . 25175 1 308 . 1 1 26 26 PHE N N 15 116.972 0.30 . 1 . . . . 27 Phe N . 25175 1 309 . 1 1 27 27 VAL H H 1 9.072 0.05 . 1 . . . . 28 Val H . 25175 1 310 . 1 1 27 27 VAL HA H 1 4.179 0.05 . 1 . . . . 28 Val HA . 25175 1 311 . 1 1 27 27 VAL HB H 1 2.198 0.05 . 1 . . . . 28 Val HB . 25175 1 312 . 1 1 27 27 VAL HG11 H 1 1.333 0.05 . 2 . . . . 28 Val HG11 . 25175 1 313 . 1 1 27 27 VAL HG12 H 1 1.333 0.05 . 2 . . . . 28 Val HG12 . 25175 1 314 . 1 1 27 27 VAL HG13 H 1 1.333 0.05 . 2 . . . . 28 Val HG13 . 25175 1 315 . 1 1 27 27 VAL HG21 H 1 1.360 0.05 . 2 . . . . 28 Val HG21 . 25175 1 316 . 1 1 27 27 VAL HG22 H 1 1.360 0.05 . 2 . . . . 28 Val HG22 . 25175 1 317 . 1 1 27 27 VAL HG23 H 1 1.360 0.05 . 2 . . . . 28 Val HG23 . 25175 1 318 . 1 1 27 27 VAL C C 13 176.105 0.20 . 1 . . . . 28 Val C . 25175 1 319 . 1 1 27 27 VAL CA C 13 63.126 0.20 . 1 . . . . 28 Val CA . 25175 1 320 . 1 1 27 27 VAL CB C 13 32.408 0.20 . 1 . . . . 28 Val CB . 25175 1 321 . 1 1 27 27 VAL CG1 C 13 23.853 0.20 . 2 . . . . 28 Val CG1 . 25175 1 322 . 1 1 27 27 VAL CG2 C 13 22.167 0.20 . 2 . . . . 28 Val CG2 . 25175 1 323 . 1 1 27 27 VAL N N 15 120.466 0.30 . 1 . . . . 28 Val N . 25175 1 324 . 1 1 28 28 THR H H 1 8.334 0.05 . 1 . . . . 29 Thr H . 25175 1 325 . 1 1 28 28 THR HA H 1 4.927 0.05 . 1 . . . . 29 Thr HA . 25175 1 326 . 1 1 28 28 THR HB H 1 4.371 0.05 . 1 . . . . 29 Thr HB . 25175 1 327 . 1 1 28 28 THR HG21 H 1 0.784 0.05 . 1 . . . . 29 Thr HG21 . 25175 1 328 . 1 1 28 28 THR HG22 H 1 0.784 0.05 . 1 . . . . 29 Thr HG22 . 25175 1 329 . 1 1 28 28 THR HG23 H 1 0.784 0.05 . 1 . . . . 29 Thr HG23 . 25175 1 330 . 1 1 28 28 THR C C 13 171.696 0.20 . 1 . . . . 29 Thr C . 25175 1 331 . 1 1 28 28 THR CA C 13 61.678 0.20 . 1 . . . . 29 Thr CA . 25175 1 332 . 1 1 28 28 THR CB C 13 71.232 0.20 . 1 . . . . 29 Thr CB . 25175 1 333 . 1 1 28 28 THR CG2 C 13 21.665 0.20 . 1 . . . . 29 Thr CG2 . 25175 1 334 . 1 1 28 28 THR N N 15 118.958 0.30 . 1 . . . . 29 Thr N . 25175 1 335 . 1 1 29 29 ASP H H 1 7.690 0.05 . 1 . . . . 30 Asp H . 25175 1 336 . 1 1 29 29 ASP HA H 1 5.083 0.05 . 1 . . . . 30 Asp HA . 25175 1 337 . 1 1 29 29 ASP HB2 H 1 2.413 0.05 . 2 . . . . 30 Asp HB2 . 25175 1 338 . 1 1 29 29 ASP HB3 H 1 2.704 0.05 . 2 . . . . 30 Asp HB3 . 25175 1 339 . 1 1 29 29 ASP C C 13 176.857 0.20 . 1 . . . . 30 Asp C . 25175 1 340 . 1 1 29 29 ASP CA C 13 53.722 0.20 . 1 . . . . 30 Asp CA . 25175 1 341 . 1 1 29 29 ASP CB C 13 42.680 0.20 . 1 . . . . 30 Asp CB . 25175 1 342 . 1 1 29 29 ASP N N 15 113.028 0.30 . 1 . . . . 30 Asp N . 25175 1 343 . 1 1 30 30 LYS H H 1 8.418 0.05 . 1 . . . . 31 Lys H . 25175 1 344 . 1 1 30 30 LYS HA H 1 4.470 0.05 . 1 . . . . 31 Lys HA . 25175 1 345 . 1 1 30 30 LYS HB2 H 1 1.899 0.05 . 2 . . . . 31 Lys HB2 . 25175 1 346 . 1 1 30 30 LYS HB3 H 1 1.859 0.05 . 2 . . . . 31 Lys HB3 . 25175 1 347 . 1 1 30 30 LYS HG2 H 1 1.423 0.05 . 1 . . . . 31 Lys HG2 . 25175 1 348 . 1 1 30 30 LYS HG3 H 1 1.423 0.05 . 1 . . . . 31 Lys HG3 . 25175 1 349 . 1 1 30 30 LYS HD2 H 1 1.679 0.05 . 2 . . . . 31 Lys HD2 . 25175 1 350 . 1 1 30 30 LYS HD3 H 1 1.735 0.05 . 2 . . . . 31 Lys HD3 . 25175 1 351 . 1 1 30 30 LYS HE2 H 1 3.062 0.05 . 1 . . . . 31 Lys HE2 . 25175 1 352 . 1 1 30 30 LYS HE3 H 1 3.062 0.05 . 1 . . . . 31 Lys HE3 . 25175 1 353 . 1 1 30 30 LYS C C 13 173.666 0.20 . 1 . . . . 31 Lys C . 25175 1 354 . 1 1 30 30 LYS CA C 13 54.912 0.20 . 1 . . . . 31 Lys CA . 25175 1 355 . 1 1 30 30 LYS CB C 13 31.940 0.20 . 1 . . . . 31 Lys CB . 25175 1 356 . 1 1 30 30 LYS CG C 13 24.437 0.20 . 1 . . . . 31 Lys CG . 25175 1 357 . 1 1 30 30 LYS CD C 13 28.641 0.20 . 1 . . . . 31 Lys CD . 25175 1 358 . 1 1 30 30 LYS CE C 13 42.183 0.20 . 1 . . . . 31 Lys CE . 25175 1 359 . 1 1 30 30 LYS N N 15 120.107 0.30 . 1 . . . . 31 Lys N . 25175 1 360 . 1 1 31 31 GLU H H 1 8.500 0.05 . 1 . . . . 32 Glu H . 25175 1 361 . 1 1 31 31 GLU HA H 1 4.172 0.05 . 1 . . . . 32 Glu HA . 25175 1 362 . 1 1 31 31 GLU HB2 H 1 1.687 0.05 . 1 . . . . 32 Glu HB2 . 25175 1 363 . 1 1 31 31 GLU HB3 H 1 1.687 0.05 . 1 . . . . 32 Glu HB3 . 25175 1 364 . 1 1 31 31 GLU HG2 H 1 1.946 0.05 . 2 . . . . 32 Glu HG2 . 25175 1 365 . 1 1 31 31 GLU HG3 H 1 1.763 0.05 . 2 . . . . 32 Glu HG3 . 25175 1 366 . 1 1 31 31 GLU C C 13 176.479 0.20 . 1 . . . . 32 Glu C . 25175 1 367 . 1 1 31 31 GLU CA C 13 55.367 0.20 . 1 . . . . 32 Glu CA . 25175 1 368 . 1 1 31 31 GLU CB C 13 30.394 0.20 . 1 . . . . 32 Glu CB . 25175 1 369 . 1 1 31 31 GLU CG C 13 36.373 0.20 . 1 . . . . 32 Glu CG . 25175 1 370 . 1 1 31 31 GLU N N 15 129.347 0.30 . 1 . . . . 32 Glu N . 25175 1 371 . 1 1 32 32 ILE H H 1 8.633 0.05 . 1 . . . . 33 Ile H . 25175 1 372 . 1 1 32 32 ILE HA H 1 4.572 0.05 . 1 . . . . 33 Ile HA . 25175 1 373 . 1 1 32 32 ILE HB H 1 1.568 0.05 . 1 . . . . 33 Ile HB . 25175 1 374 . 1 1 32 32 ILE HG21 H 1 0.781 0.05 . 1 . . . . 33 Ile HG21 . 25175 1 375 . 1 1 32 32 ILE HG22 H 1 0.781 0.05 . 1 . . . . 33 Ile HG22 . 25175 1 376 . 1 1 32 32 ILE HG23 H 1 0.781 0.05 . 1 . . . . 33 Ile HG23 . 25175 1 377 . 1 1 32 32 ILE HD11 H 1 0.669 0.05 . 1 . . . . 33 Ile HD11 . 25175 1 378 . 1 1 32 32 ILE HD12 H 1 0.669 0.05 . 1 . . . . 33 Ile HD12 . 25175 1 379 . 1 1 32 32 ILE HD13 H 1 0.669 0.05 . 1 . . . . 33 Ile HD13 . 25175 1 380 . 1 1 32 32 ILE C C 13 173.756 0.20 . 1 . . . . 33 Ile C . 25175 1 381 . 1 1 32 32 ILE CA C 13 55.631 0.20 . 1 . . . . 33 Ile CA . 25175 1 382 . 1 1 32 32 ILE CB C 13 39.221 0.20 . 1 . . . . 33 Ile CB . 25175 1 383 . 1 1 32 32 ILE CG2 C 13 16.359 0.20 . 1 . . . . 33 Ile CG2 . 25175 1 384 . 1 1 32 32 ILE CD1 C 13 10.835 0.20 . 1 . . . . 33 Ile CD1 . 25175 1 385 . 1 1 32 32 ILE N N 15 129.062 0.30 . 1 . . . . 33 Ile N . 25175 1 386 . 1 1 33 33 PRO HA H 1 4.481 0.05 . 1 . . . . 34 Pro HA . 25175 1 387 . 1 1 33 33 PRO HB2 H 1 2.345 0.05 . 2 . . . . 34 Pro HB2 . 25175 1 388 . 1 1 33 33 PRO HB3 H 1 1.944 0.05 . 2 . . . . 34 Pro HB3 . 25175 1 389 . 1 1 33 33 PRO HG2 H 1 1.946 0.05 . 1 . . . . 34 Pro HG2 . 25175 1 390 . 1 1 33 33 PRO HG3 H 1 1.946 0.05 . 1 . . . . 34 Pro HG3 . 25175 1 391 . 1 1 33 33 PRO HD2 H 1 3.654 0.05 . 2 . . . . 34 Pro HD2 . 25175 1 392 . 1 1 33 33 PRO HD3 H 1 3.800 0.05 . 2 . . . . 34 Pro HD3 . 25175 1 393 . 1 1 33 33 PRO C C 13 177.759 0.20 . 1 . . . . 34 Pro C . 25175 1 394 . 1 1 33 33 PRO CA C 13 62.685 0.20 . 1 . . . . 34 Pro CA . 25175 1 395 . 1 1 33 33 PRO CB C 13 32.479 0.20 . 1 . . . . 34 Pro CB . 25175 1 396 . 1 1 33 33 PRO CG C 13 27.638 0.20 . 1 . . . . 34 Pro CG . 25175 1 397 . 1 1 33 33 PRO CD C 13 51.133 0.20 . 1 . . . . 34 Pro CD . 25175 1 398 . 1 1 34 34 GLN H H 1 8.755 0.05 . 1 . . . . 35 Gln H . 25175 1 399 . 1 1 34 34 GLN HA H 1 3.501 0.05 . 1 . . . . 35 Gln HA . 25175 1 400 . 1 1 34 34 GLN HB2 H 1 2.331 0.05 . 2 . . . . 35 Gln HB2 . 25175 1 401 . 1 1 34 34 GLN HB3 H 1 2.126 0.05 . 2 . . . . 35 Gln HB3 . 25175 1 402 . 1 1 34 34 GLN HG2 H 1 2.381 0.05 . 2 . . . . 35 Gln HG2 . 25175 1 403 . 1 1 34 34 GLN HG3 H 1 2.305 0.05 . 2 . . . . 35 Gln HG3 . 25175 1 404 . 1 1 34 34 GLN HE21 H 1 6.865 0.05 . 1 . . . . 35 Gln HE21 . 25175 1 405 . 1 1 34 34 GLN HE22 H 1 7.535 0.05 . 1 . . . . 35 Gln HE22 . 25175 1 406 . 1 1 34 34 GLN C C 13 177.689 0.20 . 1 . . . . 35 Gln C . 25175 1 407 . 1 1 34 34 GLN CA C 13 59.172 0.20 . 1 . . . . 35 Gln CA . 25175 1 408 . 1 1 34 34 GLN CB C 13 28.460 0.20 . 1 . . . . 35 Gln CB . 25175 1 409 . 1 1 34 34 GLN CG C 13 33.388 0.20 . 1 . . . . 35 Gln CG . 25175 1 410 . 1 1 34 34 GLN N N 15 122.041 0.30 . 1 . . . . 35 Gln N . 25175 1 411 . 1 1 34 34 GLN NE2 N 15 112.335 0.30 . 1 . . . . 35 Gln NE2 . 25175 1 412 . 1 1 35 35 GLU H H 1 9.321 0.05 . 1 . . . . 36 Glu H . 25175 1 413 . 1 1 35 35 GLU HA H 1 4.086 0.05 . 1 . . . . 36 Glu HA . 25175 1 414 . 1 1 35 35 GLU HB2 H 1 1.993 0.05 . 1 . . . . 36 Glu HB2 . 25175 1 415 . 1 1 35 35 GLU HB3 H 1 1.993 0.05 . 1 . . . . 36 Glu HB3 . 25175 1 416 . 1 1 35 35 GLU HG2 H 1 2.232 0.05 . 1 . . . . 36 Glu HG2 . 25175 1 417 . 1 1 35 35 GLU HG3 H 1 2.232 0.05 . 1 . . . . 36 Glu HG3 . 25175 1 418 . 1 1 35 35 GLU C C 13 176.574 0.20 . 1 . . . . 36 Glu C . 25175 1 419 . 1 1 35 35 GLU CA C 13 58.641 0.20 . 1 . . . . 36 Glu CA . 25175 1 420 . 1 1 35 35 GLU CB C 13 28.437 0.20 . 1 . . . . 36 Glu CB . 25175 1 421 . 1 1 35 35 GLU CG C 13 35.880 0.20 . 1 . . . . 36 Glu CG . 25175 1 422 . 1 1 35 35 GLU N N 15 117.074 0.30 . 1 . . . . 36 Glu N . 25175 1 423 . 1 1 36 36 ASN H H 1 8.035 0.05 . 1 . . . . 37 Asn H . 25175 1 424 . 1 1 36 36 ASN HA H 1 4.798 0.05 . 1 . . . . 37 Asn HA . 25175 1 425 . 1 1 36 36 ASN HB2 H 1 3.244 0.05 . 2 . . . . 37 Asn HB2 . 25175 1 426 . 1 1 36 36 ASN HB3 H 1 2.473 0.05 . 2 . . . . 37 Asn HB3 . 25175 1 427 . 1 1 36 36 ASN HD21 H 1 7.167 0.05 . 1 . . . . 37 Asn HD21 . 25175 1 428 . 1 1 36 36 ASN HD22 H 1 6.845 0.05 . 1 . . . . 37 Asn HD22 . 25175 1 429 . 1 1 36 36 ASN C C 13 173.127 0.20 . 1 . . . . 37 Asn C . 25175 1 430 . 1 1 36 36 ASN CA C 13 52.527 0.20 . 1 . . . . 37 Asn CA . 25175 1 431 . 1 1 36 36 ASN CB C 13 39.069 0.20 . 1 . . . . 37 Asn CB . 25175 1 432 . 1 1 36 36 ASN N N 15 117.562 0.30 . 1 . . . . 37 Asn N . 25175 1 433 . 1 1 36 36 ASN ND2 N 15 108.628 0.30 . 1 . . . . 37 Asn ND2 . 25175 1 434 . 1 1 37 37 VAL H H 1 7.301 0.05 . 1 . . . . 38 Val H . 25175 1 435 . 1 1 37 37 VAL HA H 1 3.307 0.05 . 1 . . . . 38 Val HA . 25175 1 436 . 1 1 37 37 VAL HB H 1 1.383 0.05 . 1 . . . . 38 Val HB . 25175 1 437 . 1 1 37 37 VAL HG11 H 1 -0.085 0.05 . 2 . . . . 38 Val HG11 . 25175 1 438 . 1 1 37 37 VAL HG12 H 1 -0.085 0.05 . 2 . . . . 38 Val HG12 . 25175 1 439 . 1 1 37 37 VAL HG13 H 1 -0.085 0.05 . 2 . . . . 38 Val HG13 . 25175 1 440 . 1 1 37 37 VAL HG21 H 1 -0.232 0.05 . 2 . . . . 38 Val HG21 . 25175 1 441 . 1 1 37 37 VAL HG22 H 1 -0.232 0.05 . 2 . . . . 38 Val HG22 . 25175 1 442 . 1 1 37 37 VAL HG23 H 1 -0.232 0.05 . 2 . . . . 38 Val HG23 . 25175 1 443 . 1 1 37 37 VAL C C 13 175.071 0.20 . 1 . . . . 38 Val C . 25175 1 444 . 1 1 37 37 VAL CA C 13 64.477 0.20 . 1 . . . . 38 Val CA . 25175 1 445 . 1 1 37 37 VAL CB C 13 31.696 0.20 . 1 . . . . 38 Val CB . 25175 1 446 . 1 1 37 37 VAL CG1 C 13 21.415 0.20 . 2 . . . . 38 Val CG1 . 25175 1 447 . 1 1 37 37 VAL CG2 C 13 21.197 0.20 . 2 . . . . 38 Val CG2 . 25175 1 448 . 1 1 37 37 VAL N N 15 121.629 0.30 . 1 . . . . 38 Val N . 25175 1 449 . 1 1 38 38 ASN H H 1 8.673 0.05 . 1 . . . . 39 Asn H . 25175 1 450 . 1 1 38 38 ASN HA H 1 4.940 0.05 . 1 . . . . 39 Asn HA . 25175 1 451 . 1 1 38 38 ASN HB2 H 1 2.549 0.05 . 2 . . . . 39 Asn HB2 . 25175 1 452 . 1 1 38 38 ASN HB3 H 1 2.849 0.05 . 2 . . . . 39 Asn HB3 . 25175 1 453 . 1 1 38 38 ASN HD21 H 1 7.405 0.05 . 1 . . . . 39 Asn HD21 . 25175 1 454 . 1 1 38 38 ASN HD22 H 1 6.820 0.05 . 1 . . . . 39 Asn HD22 . 25175 1 455 . 1 1 38 38 ASN C C 13 174.227 0.20 . 1 . . . . 39 Asn C . 25175 1 456 . 1 1 38 38 ASN CA C 13 53.027 0.20 . 1 . . . . 39 Asn CA . 25175 1 457 . 1 1 38 38 ASN CB C 13 39.438 0.20 . 1 . . . . 39 Asn CB . 25175 1 458 . 1 1 38 38 ASN N N 15 127.179 0.30 . 1 . . . . 39 Asn N . 25175 1 459 . 1 1 38 38 ASN ND2 N 15 110.667 0.30 . 1 . . . . 39 Asn ND2 . 25175 1 460 . 1 1 39 39 ASN H H 1 7.951 0.05 . 1 . . . . 40 Asn H . 25175 1 461 . 1 1 39 39 ASN HA H 1 4.889 0.05 . 1 . . . . 40 Asn HA . 25175 1 462 . 1 1 39 39 ASN HB2 H 1 2.776 0.05 . 2 . . . . 40 Asn HB2 . 25175 1 463 . 1 1 39 39 ASN HB3 H 1 2.854 0.05 . 2 . . . . 40 Asn HB3 . 25175 1 464 . 1 1 39 39 ASN HD21 H 1 7.521 0.05 . 1 . . . . 40 Asn HD21 . 25175 1 465 . 1 1 39 39 ASN HD22 H 1 7.136 0.05 . 1 . . . . 40 Asn HD22 . 25175 1 466 . 1 1 39 39 ASN C C 13 174.980 0.20 . 1 . . . . 40 Asn C . 25175 1 467 . 1 1 39 39 ASN CA C 13 53.498 0.20 . 1 . . . . 40 Asn CA . 25175 1 468 . 1 1 39 39 ASN CB C 13 40.161 0.20 . 1 . . . . 40 Asn CB . 25175 1 469 . 1 1 39 39 ASN N N 15 115.158 0.30 . 1 . . . . 40 Asn N . 25175 1 470 . 1 1 39 39 ASN ND2 N 15 113.793 0.30 . 1 . . . . 40 Asn ND2 . 25175 1 471 . 1 1 40 40 SER H H 1 8.854 0.05 . 1 . . . . 41 Ser H . 25175 1 472 . 1 1 40 40 SER HA H 1 4.130 0.05 . 1 . . . . 41 Ser HA . 25175 1 473 . 1 1 40 40 SER HB2 H 1 3.613 0.05 . 2 . . . . 41 Ser HB2 . 25175 1 474 . 1 1 40 40 SER HB3 H 1 3.510 0.05 . 2 . . . . 41 Ser HB3 . 25175 1 475 . 1 1 40 40 SER C C 13 173.946 0.20 . 1 . . . . 41 Ser C . 25175 1 476 . 1 1 40 40 SER CA C 13 58.787 0.20 . 1 . . . . 41 Ser CA . 25175 1 477 . 1 1 40 40 SER CB C 13 63.300 0.20 . 1 . . . . 41 Ser CB . 25175 1 478 . 1 1 40 40 SER N N 15 115.541 0.30 . 1 . . . . 41 Ser N . 25175 1 479 . 1 1 41 41 LYS H H 1 9.442 0.05 . 1 . . . . 42 Lys H . 25175 1 480 . 1 1 41 41 LYS HA H 1 4.485 0.05 . 1 . . . . 42 Lys HA . 25175 1 481 . 1 1 41 41 LYS HB2 H 1 1.467 0.05 . 2 . . . . 42 Lys HB2 . 25175 1 482 . 1 1 41 41 LYS HB3 H 1 1.697 0.05 . 2 . . . . 42 Lys HB3 . 25175 1 483 . 1 1 41 41 LYS HG2 H 1 1.391 0.05 . 1 . . . . 42 Lys HG2 . 25175 1 484 . 1 1 41 41 LYS HG3 H 1 1.391 0.05 . 1 . . . . 42 Lys HG3 . 25175 1 485 . 1 1 41 41 LYS HD2 H 1 1.625 0.05 . 1 . . . . 42 Lys HD2 . 25175 1 486 . 1 1 41 41 LYS HD3 H 1 1.625 0.05 . 1 . . . . 42 Lys HD3 . 25175 1 487 . 1 1 41 41 LYS HE2 H 1 2.984 0.05 . 1 . . . . 42 Lys HE2 . 25175 1 488 . 1 1 41 41 LYS HE3 H 1 2.984 0.05 . 1 . . . . 42 Lys HE3 . 25175 1 489 . 1 1 41 41 LYS C C 13 176.386 0.20 . 1 . . . . 42 Lys C . 25175 1 490 . 1 1 41 41 LYS CA C 13 56.017 0.20 . 1 . . . . 42 Lys CA . 25175 1 491 . 1 1 41 41 LYS CB C 13 34.788 0.20 . 1 . . . . 42 Lys CB . 25175 1 492 . 1 1 41 41 LYS CG C 13 24.257 0.20 . 1 . . . . 42 Lys CG . 25175 1 493 . 1 1 41 41 LYS CD C 13 28.410 0.20 . 1 . . . . 42 Lys CD . 25175 1 494 . 1 1 41 41 LYS CE C 13 41.713 0.20 . 1 . . . . 42 Lys CE . 25175 1 495 . 1 1 41 41 LYS N N 15 125.426 0.30 . 1 . . . . 42 Lys N . 25175 1 496 . 1 1 42 42 VAL H H 1 7.697 0.05 . 1 . . . . 43 Val H . 25175 1 497 . 1 1 42 42 VAL HA H 1 4.263 0.05 . 1 . . . . 43 Val HA . 25175 1 498 . 1 1 42 42 VAL HB H 1 1.795 0.05 . 1 . . . . 43 Val HB . 25175 1 499 . 1 1 42 42 VAL HG11 H 1 0.783 0.05 . 1 . . . . 43 Val HG11 . 25175 1 500 . 1 1 42 42 VAL HG12 H 1 0.783 0.05 . 1 . . . . 43 Val HG12 . 25175 1 501 . 1 1 42 42 VAL HG13 H 1 0.783 0.05 . 1 . . . . 43 Val HG13 . 25175 1 502 . 1 1 42 42 VAL HG21 H 1 0.783 0.05 . 1 . . . . 43 Val HG21 . 25175 1 503 . 1 1 42 42 VAL HG22 H 1 0.783 0.05 . 1 . . . . 43 Val HG22 . 25175 1 504 . 1 1 42 42 VAL HG23 H 1 0.783 0.05 . 1 . . . . 43 Val HG23 . 25175 1 505 . 1 1 42 42 VAL C C 13 174.133 0.20 . 1 . . . . 43 Val C . 25175 1 506 . 1 1 42 42 VAL CA C 13 61.160 0.20 . 1 . . . . 43 Val CA . 25175 1 507 . 1 1 42 42 VAL CB C 13 35.591 0.20 . 1 . . . . 43 Val CB . 25175 1 508 . 1 1 42 42 VAL CG1 C 13 21.491 0.20 . 1 . . . . 43 Val CG1 . 25175 1 509 . 1 1 42 42 VAL CG2 C 13 21.491 0.20 . 1 . . . . 43 Val CG2 . 25175 1 510 . 1 1 42 42 VAL N N 15 116.813 0.30 . 1 . . . . 43 Val N . 25175 1 511 . 1 1 43 43 LYS H H 1 8.658 0.05 . 1 . . . . 44 Lys H . 25175 1 512 . 1 1 43 43 LYS HA H 1 4.921 0.05 . 1 . . . . 44 Lys HA . 25175 1 513 . 1 1 43 43 LYS HB2 H 1 1.686 0.05 . 1 . . . . 44 Lys HB2 . 25175 1 514 . 1 1 43 43 LYS HB3 H 1 1.686 0.05 . 1 . . . . 44 Lys HB3 . 25175 1 515 . 1 1 43 43 LYS HG2 H 1 1.154 0.05 . 2 . . . . 44 Lys HG2 . 25175 1 516 . 1 1 43 43 LYS HG3 H 1 1.404 0.05 . 2 . . . . 44 Lys HG3 . 25175 1 517 . 1 1 43 43 LYS HD2 H 1 1.608 0.05 . 1 . . . . 44 Lys HD2 . 25175 1 518 . 1 1 43 43 LYS HD3 H 1 1.608 0.05 . 1 . . . . 44 Lys HD3 . 25175 1 519 . 1 1 43 43 LYS HE2 H 1 2.941 0.05 . 1 . . . . 44 Lys HE2 . 25175 1 520 . 1 1 43 43 LYS HE3 H 1 2.941 0.05 . 1 . . . . 44 Lys HE3 . 25175 1 521 . 1 1 43 43 LYS C C 13 176.480 0.20 . 1 . . . . 44 Lys C . 25175 1 522 . 1 1 43 43 LYS CA C 13 54.723 0.20 . 1 . . . . 44 Lys CA . 25175 1 523 . 1 1 43 43 LYS CB C 13 32.685 0.20 . 1 . . . . 44 Lys CB . 25175 1 524 . 1 1 43 43 LYS CG C 13 24.847 0.20 . 1 . . . . 44 Lys CG . 25175 1 525 . 1 1 43 43 LYS CD C 13 29.171 0.20 . 1 . . . . 44 Lys CD . 25175 1 526 . 1 1 43 43 LYS CE C 13 42.067 0.20 . 1 . . . . 44 Lys CE . 25175 1 527 . 1 1 43 43 LYS N N 15 127.754 0.30 . 1 . . . . 44 Lys N . 25175 1 528 . 1 1 44 44 PHE H H 1 8.643 0.05 . 1 . . . . 45 Phe H . 25175 1 529 . 1 1 44 44 PHE HA H 1 4.852 0.05 . 1 . . . . 45 Phe HA . 25175 1 530 . 1 1 44 44 PHE HB2 H 1 3.196 0.05 . 2 . . . . 45 Phe HB2 . 25175 1 531 . 1 1 44 44 PHE HB3 H 1 3.061 0.05 . 2 . . . . 45 Phe HB3 . 25175 1 532 . 1 1 44 44 PHE HD1 H 1 6.900 0.05 . 3 . . . . 45 Phe HD1 . 25175 1 533 . 1 1 44 44 PHE HD2 H 1 6.900 0.05 . 3 . . . . 45 Phe HD2 . 25175 1 534 . 1 1 44 44 PHE C C 13 171.038 0.20 . 1 . . . . 45 Phe C . 25175 1 535 . 1 1 44 44 PHE CA C 13 57.197 0.20 . 1 . . . . 45 Phe CA . 25175 1 536 . 1 1 44 44 PHE CB C 13 41.195 0.20 . 1 . . . . 45 Phe CB . 25175 1 537 . 1 1 44 44 PHE CD1 C 13 131.169 0.20 . 3 . . . . 45 Phe CD1 . 25175 1 538 . 1 1 44 44 PHE CD2 C 13 131.169 0.20 . 3 . . . . 45 Phe CD2 . 25175 1 539 . 1 1 44 44 PHE N N 15 122.607 0.30 . 1 . . . . 45 Phe N . 25175 1 540 . 1 1 45 45 TYR H H 1 8.423 0.05 . 1 . . . . 46 Tyr H . 25175 1 541 . 1 1 45 45 TYR HA H 1 5.046 0.05 . 1 . . . . 46 Tyr HA . 25175 1 542 . 1 1 45 45 TYR HB2 H 1 2.825 0.05 . 2 . . . . 46 Tyr HB2 . 25175 1 543 . 1 1 45 45 TYR HB3 H 1 2.724 0.05 . 2 . . . . 46 Tyr HB3 . 25175 1 544 . 1 1 45 45 TYR HD1 H 1 6.935 0.05 . 3 . . . . 46 Tyr HD1 . 25175 1 545 . 1 1 45 45 TYR HD2 H 1 6.935 0.05 . 3 . . . . 46 Tyr HD2 . 25175 1 546 . 1 1 45 45 TYR HE1 H 1 6.620 0.05 . 3 . . . . 46 Tyr HE1 . 25175 1 547 . 1 1 45 45 TYR HE2 H 1 6.620 0.05 . 3 . . . . 46 Tyr HE2 . 25175 1 548 . 1 1 45 45 TYR C C 13 174.419 0.20 . 1 . . . . 46 Tyr C . 25175 1 549 . 1 1 45 45 TYR CA C 13 56.646 0.20 . 1 . . . . 46 Tyr CA . 25175 1 550 . 1 1 45 45 TYR CB C 13 42.273 0.20 . 1 . . . . 46 Tyr CB . 25175 1 551 . 1 1 45 45 TYR CD1 C 13 132.887 0.20 . 3 . . . . 46 Tyr CD1 . 25175 1 552 . 1 1 45 45 TYR CD2 C 13 132.887 0.20 . 3 . . . . 46 Tyr CD2 . 25175 1 553 . 1 1 45 45 TYR CE1 C 13 117.867 0.20 . 3 . . . . 46 Tyr CE1 . 25175 1 554 . 1 1 45 45 TYR CE2 C 13 117.867 0.20 . 3 . . . . 46 Tyr CE2 . 25175 1 555 . 1 1 45 45 TYR N N 15 125.028 0.30 . 1 . . . . 46 Tyr N . 25175 1 556 . 1 1 46 46 LYS H H 1 8.616 0.05 . 1 . . . . 47 Lys H . 25175 1 557 . 1 1 46 46 LYS HA H 1 4.217 0.05 . 1 . . . . 47 Lys HA . 25175 1 558 . 1 1 46 46 LYS HB2 H 1 1.741 0.05 . 2 . . . . 47 Lys HB2 . 25175 1 559 . 1 1 46 46 LYS HB3 H 1 1.590 0.05 . 2 . . . . 47 Lys HB3 . 25175 1 560 . 1 1 46 46 LYS HG2 H 1 1.266 0.05 . 2 . . . . 47 Lys HG2 . 25175 1 561 . 1 1 46 46 LYS HG3 H 1 1.040 0.05 . 2 . . . . 47 Lys HG3 . 25175 1 562 . 1 1 46 46 LYS HD2 H 1 1.447 0.05 . 2 . . . . 47 Lys HD2 . 25175 1 563 . 1 1 46 46 LYS HD3 H 1 1.752 0.05 . 2 . . . . 47 Lys HD3 . 25175 1 564 . 1 1 46 46 LYS HE2 H 1 3.025 0.05 . 2 . . . . 47 Lys HE2 . 25175 1 565 . 1 1 46 46 LYS HE3 H 1 2.825 0.05 . 2 . . . . 47 Lys HE3 . 25175 1 566 . 1 1 46 46 LYS C C 13 171.181 0.20 . 1 . . . . 47 Lys C . 25175 1 567 . 1 1 46 46 LYS CA C 13 55.756 0.20 . 1 . . . . 47 Lys CA . 25175 1 568 . 1 1 46 46 LYS CB C 13 36.785 0.20 . 1 . . . . 47 Lys CB . 25175 1 569 . 1 1 46 46 LYS CG C 13 25.031 0.20 . 1 . . . . 47 Lys CG . 25175 1 570 . 1 1 46 46 LYS CD C 13 28.913 0.20 . 1 . . . . 47 Lys CD . 25175 1 571 . 1 1 46 46 LYS CE C 13 42.224 0.20 . 1 . . . . 47 Lys CE . 25175 1 572 . 1 1 46 46 LYS N N 15 130.536 0.30 . 1 . . . . 47 Lys N . 25175 1 573 . 1 1 47 47 LEU H H 1 8.255 0.05 . 1 . . . . 48 Leu H . 25175 1 574 . 1 1 47 47 LEU HA H 1 4.973 0.05 . 1 . . . . 48 Leu HA . 25175 1 575 . 1 1 47 47 LEU HB2 H 1 1.487 0.05 . 2 . . . . 48 Leu HB2 . 25175 1 576 . 1 1 47 47 LEU HB3 H 1 1.531 0.05 . 2 . . . . 48 Leu HB3 . 25175 1 577 . 1 1 47 47 LEU HG H 1 1.366 0.05 . 1 . . . . 48 Leu HG . 25175 1 578 . 1 1 47 47 LEU HD11 H 1 0.767 0.05 . 2 . . . . 48 Leu HD11 . 25175 1 579 . 1 1 47 47 LEU HD12 H 1 0.767 0.05 . 2 . . . . 48 Leu HD12 . 25175 1 580 . 1 1 47 47 LEU HD13 H 1 0.767 0.05 . 2 . . . . 48 Leu HD13 . 25175 1 581 . 1 1 47 47 LEU HD21 H 1 0.830 0.05 . 2 . . . . 48 Leu HD21 . 25175 1 582 . 1 1 47 47 LEU HD22 H 1 0.830 0.05 . 2 . . . . 48 Leu HD22 . 25175 1 583 . 1 1 47 47 LEU HD23 H 1 0.830 0.05 . 2 . . . . 48 Leu HD23 . 25175 1 584 . 1 1 47 47 LEU C C 13 176.290 0.20 . 1 . . . . 48 Leu C . 25175 1 585 . 1 1 47 47 LEU CA C 13 53.993 0.20 . 1 . . . . 48 Leu CA . 25175 1 586 . 1 1 47 47 LEU CB C 13 43.984 0.20 . 1 . . . . 48 Leu CB . 25175 1 587 . 1 1 47 47 LEU CG C 13 27.679 0.20 . 1 . . . . 48 Leu CG . 25175 1 588 . 1 1 47 47 LEU CD1 C 13 25.423 0.20 . 2 . . . . 48 Leu CD1 . 25175 1 589 . 1 1 47 47 LEU CD2 C 13 25.684 0.20 . 2 . . . . 48 Leu CD2 . 25175 1 590 . 1 1 47 47 LEU N N 15 127.739 0.30 . 1 . . . . 48 Leu N . 25175 1 591 . 1 1 48 48 LEU H H 1 9.087 0.05 . 1 . . . . 49 Leu H . 25175 1 592 . 1 1 48 48 LEU HA H 1 4.648 0.05 . 1 . . . . 49 Leu HA . 25175 1 593 . 1 1 48 48 LEU HB2 H 1 1.511 0.05 . 2 . . . . 49 Leu HB2 . 25175 1 594 . 1 1 48 48 LEU HB3 H 1 1.104 0.05 . 2 . . . . 49 Leu HB3 . 25175 1 595 . 1 1 48 48 LEU HG H 1 1.207 0.05 . 1 . . . . 49 Leu HG . 25175 1 596 . 1 1 48 48 LEU HD11 H 1 0.563 0.05 . 2 . . . . 49 Leu HD11 . 25175 1 597 . 1 1 48 48 LEU HD12 H 1 0.563 0.05 . 2 . . . . 49 Leu HD12 . 25175 1 598 . 1 1 48 48 LEU HD13 H 1 0.563 0.05 . 2 . . . . 49 Leu HD13 . 25175 1 599 . 1 1 48 48 LEU HD21 H 1 0.811 0.05 . 2 . . . . 49 Leu HD21 . 25175 1 600 . 1 1 48 48 LEU HD22 H 1 0.811 0.05 . 2 . . . . 49 Leu HD22 . 25175 1 601 . 1 1 48 48 LEU HD23 H 1 0.811 0.05 . 2 . . . . 49 Leu HD23 . 25175 1 602 . 1 1 48 48 LEU C C 13 173.806 0.20 . 1 . . . . 49 Leu C . 25175 1 603 . 1 1 48 48 LEU CA C 13 53.473 0.20 . 1 . . . . 49 Leu CA . 25175 1 604 . 1 1 48 48 LEU CB C 13 46.033 0.20 . 1 . . . . 49 Leu CB . 25175 1 605 . 1 1 48 48 LEU CG C 13 26.571 0.20 . 1 . . . . 49 Leu CG . 25175 1 606 . 1 1 48 48 LEU CD1 C 13 26.539 0.20 . 2 . . . . 49 Leu CD1 . 25175 1 607 . 1 1 48 48 LEU CD2 C 13 23.947 0.20 . 2 . . . . 49 Leu CD2 . 25175 1 608 . 1 1 48 48 LEU N N 15 126.770 0.30 . 1 . . . . 49 Leu N . 25175 1 609 . 1 1 49 49 ILE H H 1 8.652 0.05 . 1 . . . . 50 Ile H . 25175 1 610 . 1 1 49 49 ILE HA H 1 4.575 0.05 . 1 . . . . 50 Ile HA . 25175 1 611 . 1 1 49 49 ILE HB H 1 1.574 0.05 . 1 . . . . 50 Ile HB . 25175 1 612 . 1 1 49 49 ILE HG12 H 1 1.371 0.05 . 1 . . . . 50 Ile HG12 . 25175 1 613 . 1 1 49 49 ILE HG13 H 1 1.371 0.05 . 1 . . . . 50 Ile HG13 . 25175 1 614 . 1 1 49 49 ILE HG21 H 1 0.548 0.05 . 1 . . . . 50 Ile HG21 . 25175 1 615 . 1 1 49 49 ILE HG22 H 1 0.548 0.05 . 1 . . . . 50 Ile HG22 . 25175 1 616 . 1 1 49 49 ILE HG23 H 1 0.548 0.05 . 1 . . . . 50 Ile HG23 . 25175 1 617 . 1 1 49 49 ILE HD11 H 1 0.568 0.05 . 1 . . . . 50 Ile HD11 . 25175 1 618 . 1 1 49 49 ILE HD12 H 1 0.568 0.05 . 1 . . . . 50 Ile HD12 . 25175 1 619 . 1 1 49 49 ILE HD13 H 1 0.568 0.05 . 1 . . . . 50 Ile HD13 . 25175 1 620 . 1 1 49 49 ILE C C 13 174.879 0.20 . 1 . . . . 50 Ile C . 25175 1 621 . 1 1 49 49 ILE CA C 13 60.847 0.20 . 1 . . . . 50 Ile CA . 25175 1 622 . 1 1 49 49 ILE CB C 13 38.348 0.20 . 1 . . . . 50 Ile CB . 25175 1 623 . 1 1 49 49 ILE CG1 C 13 26.917 0.20 . 1 . . . . 50 Ile CG1 . 25175 1 624 . 1 1 49 49 ILE CG2 C 13 18.562 0.20 . 1 . . . . 50 Ile CG2 . 25175 1 625 . 1 1 49 49 ILE CD1 C 13 13.553 0.20 . 1 . . . . 50 Ile CD1 . 25175 1 626 . 1 1 49 49 ILE N N 15 123.299 0.30 . 1 . . . . 50 Ile N . 25175 1 627 . 1 1 50 50 VAL H H 1 8.855 0.05 . 1 . . . . 51 Val H . 25175 1 628 . 1 1 50 50 VAL HA H 1 4.522 0.05 . 1 . . . . 51 Val HA . 25175 1 629 . 1 1 50 50 VAL HB H 1 1.473 0.05 . 1 . . . . 51 Val HB . 25175 1 630 . 1 1 50 50 VAL HG11 H 1 0.472 0.05 . 2 . . . . 51 Val HG11 . 25175 1 631 . 1 1 50 50 VAL HG12 H 1 0.472 0.05 . 2 . . . . 51 Val HG12 . 25175 1 632 . 1 1 50 50 VAL HG13 H 1 0.472 0.05 . 2 . . . . 51 Val HG13 . 25175 1 633 . 1 1 50 50 VAL HG21 H 1 0.377 0.05 . 2 . . . . 51 Val HG21 . 25175 1 634 . 1 1 50 50 VAL HG22 H 1 0.377 0.05 . 2 . . . . 51 Val HG22 . 25175 1 635 . 1 1 50 50 VAL HG23 H 1 0.377 0.05 . 2 . . . . 51 Val HG23 . 25175 1 636 . 1 1 50 50 VAL C C 13 175.446 0.20 . 1 . . . . 51 Val C . 25175 1 637 . 1 1 50 50 VAL CA C 13 60.328 0.20 . 1 . . . . 51 Val CA . 25175 1 638 . 1 1 50 50 VAL CB C 13 34.585 0.20 . 1 . . . . 51 Val CB . 25175 1 639 . 1 1 50 50 VAL CG1 C 13 22.339 0.20 . 2 . . . . 51 Val CG1 . 25175 1 640 . 1 1 50 50 VAL CG2 C 13 20.261 0.20 . 2 . . . . 51 Val CG2 . 25175 1 641 . 1 1 50 50 VAL N N 15 125.827 0.30 . 1 . . . . 51 Val N . 25175 1 642 . 1 1 51 51 ASP H H 1 8.734 0.05 . 1 . . . . 52 Asp H . 25175 1 643 . 1 1 51 51 ASP HA H 1 4.247 0.05 . 1 . . . . 52 Asp HA . 25175 1 644 . 1 1 51 51 ASP HB2 H 1 3.118 0.05 . 2 . . . . 52 Asp HB2 . 25175 1 645 . 1 1 51 51 ASP HB3 H 1 2.467 0.05 . 2 . . . . 52 Asp HB3 . 25175 1 646 . 1 1 51 51 ASP C C 13 177.041 0.20 . 1 . . . . 52 Asp C . 25175 1 647 . 1 1 51 51 ASP CA C 13 54.803 0.20 . 1 . . . . 52 Asp CA . 25175 1 648 . 1 1 51 51 ASP CB C 13 43.073 0.20 . 1 . . . . 52 Asp CB . 25175 1 649 . 1 1 51 51 ASP N N 15 126.875 0.30 . 1 . . . . 52 Asp N . 25175 1 650 . 1 1 52 52 MET H H 1 8.674 0.05 . 1 . . . . 53 Met H . 25175 1 651 . 1 1 52 52 MET HA H 1 4.029 0.05 . 1 . . . . 53 Met HA . 25175 1 652 . 1 1 52 52 MET HB2 H 1 2.044 0.05 . 1 . . . . 53 Met HB2 . 25175 1 653 . 1 1 52 52 MET HB3 H 1 2.044 0.05 . 1 . . . . 53 Met HB3 . 25175 1 654 . 1 1 52 52 MET HG2 H 1 2.346 0.05 . 2 . . . . 53 Met HG2 . 25175 1 655 . 1 1 52 52 MET HG3 H 1 2.504 0.05 . 2 . . . . 53 Met HG3 . 25175 1 656 . 1 1 52 52 MET HE1 H 1 1.969 0.05 . 1 . . . . 53 Met HE1 . 25175 1 657 . 1 1 52 52 MET HE2 H 1 1.969 0.05 . 1 . . . . 53 Met HE2 . 25175 1 658 . 1 1 52 52 MET HE3 H 1 1.969 0.05 . 1 . . . . 53 Met HE3 . 25175 1 659 . 1 1 52 52 MET C C 13 176.949 0.20 . 1 . . . . 53 Met C . 25175 1 660 . 1 1 52 52 MET CA C 13 58.384 0.20 . 1 . . . . 53 Met CA . 25175 1 661 . 1 1 52 52 MET CB C 13 33.485 0.20 . 1 . . . . 53 Met CB . 25175 1 662 . 1 1 52 52 MET CG C 13 32.849 0.20 . 1 . . . . 53 Met CG . 25175 1 663 . 1 1 52 52 MET CE C 13 16.739 0.20 . 1 . . . . 53 Met CE . 25175 1 664 . 1 1 52 52 MET N N 15 125.458 0.30 . 1 . . . . 53 Met N . 25175 1 665 . 1 1 53 53 LYS H H 1 8.706 0.05 . 1 . . . . 54 Lys H . 25175 1 666 . 1 1 53 53 LYS HA H 1 4.352 0.05 . 1 . . . . 54 Lys HA . 25175 1 667 . 1 1 53 53 LYS HB2 H 1 1.959 0.05 . 2 . . . . 54 Lys HB2 . 25175 1 668 . 1 1 53 53 LYS HB3 H 1 1.917 0.05 . 2 . . . . 54 Lys HB3 . 25175 1 669 . 1 1 53 53 LYS HG2 H 1 1.465 0.05 . 2 . . . . 54 Lys HG2 . 25175 1 670 . 1 1 53 53 LYS HG3 H 1 1.377 0.05 . 2 . . . . 54 Lys HG3 . 25175 1 671 . 1 1 53 53 LYS HD2 H 1 1.681 0.05 . 1 . . . . 54 Lys HD2 . 25175 1 672 . 1 1 53 53 LYS HD3 H 1 1.681 0.05 . 1 . . . . 54 Lys HD3 . 25175 1 673 . 1 1 53 53 LYS HE2 H 1 2.970 0.05 . 1 . . . . 54 Lys HE2 . 25175 1 674 . 1 1 53 53 LYS HE3 H 1 2.970 0.05 . 1 . . . . 54 Lys HE3 . 25175 1 675 . 1 1 53 53 LYS C C 13 177.976 0.20 . 1 . . . . 54 Lys C . 25175 1 676 . 1 1 53 53 LYS CA C 13 57.771 0.20 . 1 . . . . 54 Lys CA . 25175 1 677 . 1 1 53 53 LYS CB C 13 32.633 0.20 . 1 . . . . 54 Lys CB . 25175 1 678 . 1 1 53 53 LYS CG C 13 25.025 0.20 . 1 . . . . 54 Lys CG . 25175 1 679 . 1 1 53 53 LYS CD C 13 28.621 0.20 . 1 . . . . 54 Lys CD . 25175 1 680 . 1 1 53 53 LYS CE C 13 42.072 0.20 . 1 . . . . 54 Lys CE . 25175 1 681 . 1 1 53 53 LYS N N 15 117.199 0.30 . 1 . . . . 54 Lys N . 25175 1 682 . 1 1 54 54 SER H H 1 8.386 0.05 . 1 . . . . 55 Ser H . 25175 1 683 . 1 1 54 54 SER HA H 1 4.479 0.05 . 1 . . . . 55 Ser HA . 25175 1 684 . 1 1 54 54 SER HB2 H 1 4.008 0.05 . 2 . . . . 55 Ser HB2 . 25175 1 685 . 1 1 54 54 SER HB3 H 1 3.806 0.05 . 2 . . . . 55 Ser HB3 . 25175 1 686 . 1 1 54 54 SER C C 13 175.163 0.20 . 1 . . . . 55 Ser C . 25175 1 687 . 1 1 54 54 SER CA C 13 58.367 0.20 . 1 . . . . 55 Ser CA . 25175 1 688 . 1 1 54 54 SER CB C 13 65.427 0.20 . 1 . . . . 55 Ser CB . 25175 1 689 . 1 1 54 54 SER N N 15 113.331 0.30 . 1 . . . . 55 Ser N . 25175 1 690 . 1 1 55 55 GLU H H 1 8.185 0.05 . 1 . . . . 56 Glu H . 25175 1 691 . 1 1 55 55 GLU HA H 1 3.908 0.05 . 1 . . . . 56 Glu HA . 25175 1 692 . 1 1 55 55 GLU HB2 H 1 2.549 0.05 . 2 . . . . 56 Glu HB2 . 25175 1 693 . 1 1 55 55 GLU HB3 H 1 2.425 0.05 . 2 . . . . 56 Glu HB3 . 25175 1 694 . 1 1 55 55 GLU HG2 H 1 2.096 0.05 . 2 . . . . 56 Glu HG2 . 25175 1 695 . 1 1 55 55 GLU HG3 H 1 2.204 0.05 . 2 . . . . 56 Glu HG3 . 25175 1 696 . 1 1 55 55 GLU C C 13 174.042 0.20 . 1 . . . . 56 Glu C . 25175 1 697 . 1 1 55 55 GLU CA C 13 58.607 0.20 . 1 . . . . 56 Glu CA . 25175 1 698 . 1 1 55 55 GLU CB C 13 26.887 0.20 . 1 . . . . 56 Glu CB . 25175 1 699 . 1 1 55 55 GLU CG C 13 37.592 0.20 . 1 . . . . 56 Glu CG . 25175 1 700 . 1 1 55 55 GLU N N 15 117.068 0.30 . 1 . . . . 56 Glu N . 25175 1 701 . 1 1 56 56 LYS H H 1 7.483 0.05 . 1 . . . . 57 Lys H . 25175 1 702 . 1 1 56 56 LYS HA H 1 4.562 0.05 . 1 . . . . 57 Lys HA . 25175 1 703 . 1 1 56 56 LYS HB2 H 1 1.657 0.05 . 2 . . . . 57 Lys HB2 . 25175 1 704 . 1 1 56 56 LYS HB3 H 1 1.842 0.05 . 2 . . . . 57 Lys HB3 . 25175 1 705 . 1 1 56 56 LYS HG2 H 1 1.473 0.05 . 1 . . . . 57 Lys HG2 . 25175 1 706 . 1 1 56 56 LYS HG3 H 1 1.473 0.05 . 1 . . . . 57 Lys HG3 . 25175 1 707 . 1 1 56 56 LYS HD2 H 1 1.707 0.05 . 1 . . . . 57 Lys HD2 . 25175 1 708 . 1 1 56 56 LYS HD3 H 1 1.707 0.05 . 1 . . . . 57 Lys HD3 . 25175 1 709 . 1 1 56 56 LYS HE2 H 1 3.046 0.05 . 1 . . . . 57 Lys HE2 . 25175 1 710 . 1 1 56 56 LYS HE3 H 1 3.046 0.05 . 1 . . . . 57 Lys HE3 . 25175 1 711 . 1 1 56 56 LYS C C 13 175.822 0.20 . 1 . . . . 57 Lys C . 25175 1 712 . 1 1 56 56 LYS CA C 13 55.331 0.20 . 1 . . . . 57 Lys CA . 25175 1 713 . 1 1 56 56 LYS CB C 13 34.246 0.20 . 1 . . . . 57 Lys CB . 25175 1 714 . 1 1 56 56 LYS CG C 13 25.118 0.20 . 1 . . . . 57 Lys CG . 25175 1 715 . 1 1 56 56 LYS CD C 13 28.748 0.20 . 1 . . . . 57 Lys CD . 25175 1 716 . 1 1 56 56 LYS CE C 13 42.346 0.20 . 1 . . . . 57 Lys CE . 25175 1 717 . 1 1 56 56 LYS N N 15 116.992 0.30 . 1 . . . . 57 Lys N . 25175 1 718 . 1 1 57 57 LEU H H 1 8.412 0.05 . 1 . . . . 58 Leu H . 25175 1 719 . 1 1 57 57 LEU HA H 1 4.852 0.05 . 1 . . . . 58 Leu HA . 25175 1 720 . 1 1 57 57 LEU HB2 H 1 1.583 0.05 . 2 . . . . 58 Leu HB2 . 25175 1 721 . 1 1 57 57 LEU HB3 H 1 1.781 0.05 . 2 . . . . 58 Leu HB3 . 25175 1 722 . 1 1 57 57 LEU HG H 1 1.787 0.05 . 1 . . . . 58 Leu HG . 25175 1 723 . 1 1 57 57 LEU HD11 H 1 0.967 0.05 . 2 . . . . 58 Leu HD11 . 25175 1 724 . 1 1 57 57 LEU HD12 H 1 0.967 0.05 . 2 . . . . 58 Leu HD12 . 25175 1 725 . 1 1 57 57 LEU HD13 H 1 0.967 0.05 . 2 . . . . 58 Leu HD13 . 25175 1 726 . 1 1 57 57 LEU HD21 H 1 0.893 0.05 . 2 . . . . 58 Leu HD21 . 25175 1 727 . 1 1 57 57 LEU HD22 H 1 0.893 0.05 . 2 . . . . 58 Leu HD22 . 25175 1 728 . 1 1 57 57 LEU HD23 H 1 0.893 0.05 . 2 . . . . 58 Leu HD23 . 25175 1 729 . 1 1 57 57 LEU C C 13 177.689 0.20 . 1 . . . . 58 Leu C . 25175 1 730 . 1 1 57 57 LEU CA C 13 54.723 0.20 . 1 . . . . 58 Leu CA . 25175 1 731 . 1 1 57 57 LEU CB C 13 41.650 0.20 . 1 . . . . 58 Leu CB . 25175 1 732 . 1 1 57 57 LEU CG C 13 27.915 0.20 . 1 . . . . 58 Leu CG . 25175 1 733 . 1 1 57 57 LEU CD1 C 13 26.027 0.20 . 2 . . . . 58 Leu CD1 . 25175 1 734 . 1 1 57 57 LEU CD2 C 13 24.902 0.20 . 2 . . . . 58 Leu CD2 . 25175 1 735 . 1 1 57 57 LEU N N 15 120.205 0.30 . 1 . . . . 58 Leu N . 25175 1 736 . 1 1 58 58 LEU H H 1 8.840 0.05 . 1 . . . . 59 Leu H . 25175 1 737 . 1 1 58 58 LEU HA H 1 4.749 0.05 . 1 . . . . 59 Leu HA . 25175 1 738 . 1 1 58 58 LEU HB2 H 1 1.733 0.05 . 2 . . . . 59 Leu HB2 . 25175 1 739 . 1 1 58 58 LEU HB3 H 1 1.350 0.05 . 2 . . . . 59 Leu HB3 . 25175 1 740 . 1 1 58 58 LEU HD11 H 1 0.868 0.05 . 2 . . . . 59 Leu HD11 . 25175 1 741 . 1 1 58 58 LEU HD12 H 1 0.868 0.05 . 2 . . . . 59 Leu HD12 . 25175 1 742 . 1 1 58 58 LEU HD13 H 1 0.868 0.05 . 2 . . . . 59 Leu HD13 . 25175 1 743 . 1 1 58 58 LEU HD21 H 1 0.846 0.05 . 2 . . . . 59 Leu HD21 . 25175 1 744 . 1 1 58 58 LEU HD22 H 1 0.846 0.05 . 2 . . . . 59 Leu HD22 . 25175 1 745 . 1 1 58 58 LEU HD23 H 1 0.846 0.05 . 2 . . . . 59 Leu HD23 . 25175 1 746 . 1 1 58 58 LEU C C 13 177.134 0.20 . 1 . . . . 59 Leu C . 25175 1 747 . 1 1 58 58 LEU CA C 13 52.952 0.20 . 1 . . . . 59 Leu CA . 25175 1 748 . 1 1 58 58 LEU CB C 13 46.017 0.20 . 1 . . . . 59 Leu CB . 25175 1 749 . 1 1 58 58 LEU CD1 C 13 22.448 0.20 . 2 . . . . 59 Leu CD1 . 25175 1 750 . 1 1 58 58 LEU CD2 C 13 26.677 0.20 . 2 . . . . 59 Leu CD2 . 25175 1 751 . 1 1 58 58 LEU N N 15 122.692 0.30 . 1 . . . . 59 Leu N . 25175 1 752 . 1 1 59 59 SER H H 1 8.667 0.05 . 1 . . . . 60 Ser H . 25175 1 753 . 1 1 59 59 SER HA H 1 4.554 0.05 . 1 . . . . 60 Ser HA . 25175 1 754 . 1 1 59 59 SER HB2 H 1 3.963 0.05 . 2 . . . . 60 Ser HB2 . 25175 1 755 . 1 1 59 59 SER HB3 H 1 3.906 0.05 . 2 . . . . 60 Ser HB3 . 25175 1 756 . 1 1 59 59 SER C C 13 174.416 0.20 . 1 . . . . 60 Ser C . 25175 1 757 . 1 1 59 59 SER CA C 13 58.764 0.20 . 1 . . . . 60 Ser CA . 25175 1 758 . 1 1 59 59 SER CB C 13 63.997 0.20 . 1 . . . . 60 Ser CB . 25175 1 759 . 1 1 59 59 SER N N 15 112.433 0.30 . 1 . . . . 60 Ser N . 25175 1 760 . 1 1 60 60 SER H H 1 7.428 0.05 . 1 . . . . 61 Ser H . 25175 1 761 . 1 1 60 60 SER HA H 1 4.488 0.05 . 1 . . . . 61 Ser HA . 25175 1 762 . 1 1 60 60 SER HB2 H 1 3.823 0.05 . 2 . . . . 61 Ser HB2 . 25175 1 763 . 1 1 60 60 SER HB3 H 1 3.765 0.05 . 2 . . . . 61 Ser HB3 . 25175 1 764 . 1 1 60 60 SER C C 13 172.635 0.20 . 1 . . . . 61 Ser C . 25175 1 765 . 1 1 60 60 SER CA C 13 57.152 0.20 . 1 . . . . 61 Ser CA . 25175 1 766 . 1 1 60 60 SER CB C 13 65.012 0.20 . 1 . . . . 61 Ser CB . 25175 1 767 . 1 1 60 60 SER N N 15 114.204 0.30 . 1 . . . . 61 Ser N . 25175 1 768 . 1 1 61 61 SER H H 1 8.548 0.05 . 1 . . . . 62 Ser H . 25175 1 769 . 1 1 61 61 SER HA H 1 4.165 0.05 . 1 . . . . 62 Ser HA . 25175 1 770 . 1 1 61 61 SER HB2 H 1 3.753 0.05 . 1 . . . . 62 Ser HB2 . 25175 1 771 . 1 1 61 61 SER HB3 H 1 3.753 0.05 . 1 . . . . 62 Ser HB3 . 25175 1 772 . 1 1 61 61 SER C C 13 173.666 0.20 . 1 . . . . 62 Ser C . 25175 1 773 . 1 1 61 61 SER CA C 13 59.190 0.20 . 1 . . . . 62 Ser CA . 25175 1 774 . 1 1 61 61 SER CB C 13 64.048 0.20 . 1 . . . . 62 Ser CB . 25175 1 775 . 1 1 61 61 SER N N 15 117.104 0.30 . 1 . . . . 62 Ser N . 25175 1 776 . 1 1 62 62 ASN H H 1 8.496 0.05 . 1 . . . . 63 Asn H . 25175 1 777 . 1 1 62 62 ASN HA H 1 4.779 0.05 . 1 . . . . 63 Asn HA . 25175 1 778 . 1 1 62 62 ASN HB2 H 1 3.242 0.05 . 2 . . . . 63 Asn HB2 . 25175 1 779 . 1 1 62 62 ASN HB3 H 1 2.887 0.05 . 2 . . . . 63 Asn HB3 . 25175 1 780 . 1 1 62 62 ASN HD21 H 1 7.570 0.05 . 1 . . . . 63 Asn HD21 . 25175 1 781 . 1 1 62 62 ASN HD22 H 1 7.093 0.05 . 1 . . . . 63 Asn HD22 . 25175 1 782 . 1 1 62 62 ASN C C 13 176.103 0.20 . 1 . . . . 63 Asn C . 25175 1 783 . 1 1 62 62 ASN CA C 13 51.999 0.20 . 1 . . . . 63 Asn CA . 25175 1 784 . 1 1 62 62 ASN CB C 13 39.595 0.20 . 1 . . . . 63 Asn CB . 25175 1 785 . 1 1 62 62 ASN N N 15 119.422 0.30 . 1 . . . . 63 Asn N . 25175 1 786 . 1 1 62 62 ASN ND2 N 15 112.666 0.30 . 1 . . . . 63 Asn ND2 . 25175 1 787 . 1 1 63 63 LYS H H 1 8.296 0.05 . 1 . . . . 64 Lys H . 25175 1 788 . 1 1 63 63 LYS HA H 1 4.187 0.05 . 1 . . . . 64 Lys HA . 25175 1 789 . 1 1 63 63 LYS HB2 H 1 1.849 0.05 . 1 . . . . 64 Lys HB2 . 25175 1 790 . 1 1 63 63 LYS HB3 H 1 1.849 0.05 . 1 . . . . 64 Lys HB3 . 25175 1 791 . 1 1 63 63 LYS HG2 H 1 1.448 0.05 . 1 . . . . 64 Lys HG2 . 25175 1 792 . 1 1 63 63 LYS HG3 H 1 1.448 0.05 . 1 . . . . 64 Lys HG3 . 25175 1 793 . 1 1 63 63 LYS HD2 H 1 1.687 0.05 . 1 . . . . 64 Lys HD2 . 25175 1 794 . 1 1 63 63 LYS HD3 H 1 1.687 0.05 . 1 . . . . 64 Lys HD3 . 25175 1 795 . 1 1 63 63 LYS HE2 H 1 3.000 0.05 . 1 . . . . 64 Lys HE2 . 25175 1 796 . 1 1 63 63 LYS HE3 H 1 3.000 0.05 . 1 . . . . 64 Lys HE3 . 25175 1 797 . 1 1 63 63 LYS C C 13 176.666 0.20 . 1 . . . . 64 Lys C . 25175 1 798 . 1 1 63 63 LYS CA C 13 58.474 0.20 . 1 . . . . 64 Lys CA . 25175 1 799 . 1 1 63 63 LYS CB C 13 32.136 0.20 . 1 . . . . 64 Lys CB . 25175 1 800 . 1 1 63 63 LYS CG C 13 24.636 0.20 . 1 . . . . 64 Lys CG . 25175 1 801 . 1 1 63 63 LYS CD C 13 28.958 0.20 . 1 . . . . 64 Lys CD . 25175 1 802 . 1 1 63 63 LYS CE C 13 42.057 0.20 . 1 . . . . 64 Lys CE . 25175 1 803 . 1 1 63 63 LYS N N 15 117.042 0.30 . 1 . . . . 64 Lys N . 25175 1 804 . 1 1 64 64 ASN H H 1 8.500 0.05 . 1 . . . . 65 Asn H . 25175 1 805 . 1 1 64 64 ASN HA H 1 5.062 0.05 . 1 . . . . 65 Asn HA . 25175 1 806 . 1 1 64 64 ASN HB2 H 1 2.665 0.05 . 2 . . . . 65 Asn HB2 . 25175 1 807 . 1 1 64 64 ASN HB3 H 1 3.023 0.05 . 2 . . . . 65 Asn HB3 . 25175 1 808 . 1 1 64 64 ASN HD21 H 1 6.952 0.05 . 1 . . . . 65 Asn HD21 . 25175 1 809 . 1 1 64 64 ASN HD22 H 1 7.896 0.05 . 1 . . . . 65 Asn HD22 . 25175 1 810 . 1 1 64 64 ASN C C 13 174.050 0.20 . 1 . . . . 65 Asn C . 25175 1 811 . 1 1 64 64 ASN CA C 13 52.562 0.20 . 1 . . . . 65 Asn CA . 25175 1 812 . 1 1 64 64 ASN CB C 13 40.251 0.20 . 1 . . . . 65 Asn CB . 25175 1 813 . 1 1 64 64 ASN N N 15 116.406 0.30 . 1 . . . . 65 Asn N . 25175 1 814 . 1 1 64 64 ASN ND2 N 15 113.926 0.30 . 1 . . . . 65 Asn ND2 . 25175 1 815 . 1 1 65 65 SER H H 1 7.744 0.05 . 1 . . . . 66 Ser H . 25175 1 816 . 1 1 65 65 SER HA H 1 5.313 0.05 . 1 . . . . 66 Ser HA . 25175 1 817 . 1 1 65 65 SER HB2 H 1 3.712 0.05 . 2 . . . . 66 Ser HB2 . 25175 1 818 . 1 1 65 65 SER HB3 H 1 3.572 0.05 . 2 . . . . 66 Ser HB3 . 25175 1 819 . 1 1 65 65 SER C C 13 173.573 0.20 . 1 . . . . 66 Ser C . 25175 1 820 . 1 1 65 65 SER CA C 13 57.611 0.20 . 1 . . . . 66 Ser CA . 25175 1 821 . 1 1 65 65 SER CB C 13 67.079 0.20 . 1 . . . . 66 Ser CB . 25175 1 822 . 1 1 65 65 SER N N 15 114.734 0.30 . 1 . . . . 66 Ser N . 25175 1 823 . 1 1 66 66 VAL H H 1 8.939 0.05 . 1 . . . . 67 Val H . 25175 1 824 . 1 1 66 66 VAL HA H 1 4.446 0.05 . 1 . . . . 67 Val HA . 25175 1 825 . 1 1 66 66 VAL HB H 1 1.877 0.05 . 1 . . . . 67 Val HB . 25175 1 826 . 1 1 66 66 VAL HG11 H 1 0.863 0.05 . 2 . . . . 67 Val HG11 . 25175 1 827 . 1 1 66 66 VAL HG12 H 1 0.863 0.05 . 2 . . . . 67 Val HG12 . 25175 1 828 . 1 1 66 66 VAL HG13 H 1 0.863 0.05 . 2 . . . . 67 Val HG13 . 25175 1 829 . 1 1 66 66 VAL HG21 H 1 0.784 0.05 . 2 . . . . 67 Val HG21 . 25175 1 830 . 1 1 66 66 VAL HG22 H 1 0.784 0.05 . 2 . . . . 67 Val HG22 . 25175 1 831 . 1 1 66 66 VAL HG23 H 1 0.784 0.05 . 2 . . . . 67 Val HG23 . 25175 1 832 . 1 1 66 66 VAL C C 13 173.573 0.20 . 1 . . . . 67 Val C . 25175 1 833 . 1 1 66 66 VAL CA C 13 60.209 0.20 . 1 . . . . 67 Val CA . 25175 1 834 . 1 1 66 66 VAL CB C 13 35.475 0.20 . 1 . . . . 67 Val CB . 25175 1 835 . 1 1 66 66 VAL CG1 C 13 21.328 0.20 . 2 . . . . 67 Val CG1 . 25175 1 836 . 1 1 66 66 VAL CG2 C 13 21.303 0.20 . 2 . . . . 67 Val CG2 . 25175 1 837 . 1 1 66 66 VAL N N 15 119.080 0.30 . 1 . . . . 67 Val N . 25175 1 838 . 1 1 67 67 THR H H 1 8.351 0.05 . 1 . . . . 68 Thr H . 25175 1 839 . 1 1 67 67 THR HA H 1 4.748 0.05 . 1 . . . . 68 Thr HA . 25175 1 840 . 1 1 67 67 THR HB H 1 3.889 0.05 . 1 . . . . 68 Thr HB . 25175 1 841 . 1 1 67 67 THR HG21 H 1 0.989 0.05 . 1 . . . . 68 Thr HG21 . 25175 1 842 . 1 1 67 67 THR HG22 H 1 0.989 0.05 . 1 . . . . 68 Thr HG22 . 25175 1 843 . 1 1 67 67 THR HG23 H 1 0.989 0.05 . 1 . . . . 68 Thr HG23 . 25175 1 844 . 1 1 67 67 THR C C 13 173.291 0.20 . 1 . . . . 68 Thr C . 25175 1 845 . 1 1 67 67 THR CA C 13 61.969 0.20 . 1 . . . . 68 Thr CA . 25175 1 846 . 1 1 67 67 THR CB C 13 69.537 0.20 . 1 . . . . 68 Thr CB . 25175 1 847 . 1 1 67 67 THR CG2 C 13 22.059 0.20 . 1 . . . . 68 Thr CG2 . 25175 1 848 . 1 1 67 67 THR N N 15 122.115 0.30 . 1 . . . . 68 Thr N . 25175 1 849 . 1 1 68 68 LEU H H 1 9.463 0.05 . 1 . . . . 69 Leu H . 25175 1 850 . 1 1 68 68 LEU HA H 1 4.367 0.05 . 1 . . . . 69 Leu HA . 25175 1 851 . 1 1 68 68 LEU HB2 H 1 1.517 0.05 . 2 . . . . 69 Leu HB2 . 25175 1 852 . 1 1 68 68 LEU HB3 H 1 0.782 0.05 . 2 . . . . 69 Leu HB3 . 25175 1 853 . 1 1 68 68 LEU HG H 1 1.042 0.05 . 1 . . . . 69 Leu HG . 25175 1 854 . 1 1 68 68 LEU HD11 H 1 -0.037 0.05 . 2 . . . . 69 Leu HD11 . 25175 1 855 . 1 1 68 68 LEU HD12 H 1 -0.037 0.05 . 2 . . . . 69 Leu HD12 . 25175 1 856 . 1 1 68 68 LEU HD13 H 1 -0.037 0.05 . 2 . . . . 69 Leu HD13 . 25175 1 857 . 1 1 68 68 LEU HD21 H 1 0.330 0.05 . 2 . . . . 69 Leu HD21 . 25175 1 858 . 1 1 68 68 LEU HD22 H 1 0.330 0.05 . 2 . . . . 69 Leu HD22 . 25175 1 859 . 1 1 68 68 LEU HD23 H 1 0.330 0.05 . 2 . . . . 69 Leu HD23 . 25175 1 860 . 1 1 68 68 LEU C C 13 173.853 0.20 . 1 . . . . 69 Leu C . 25175 1 861 . 1 1 68 68 LEU CA C 13 53.268 0.20 . 1 . . . . 69 Leu CA . 25175 1 862 . 1 1 68 68 LEU CB C 13 43.548 0.20 . 1 . . . . 69 Leu CB . 25175 1 863 . 1 1 68 68 LEU CG C 13 26.375 0.20 . 1 . . . . 69 Leu CG . 25175 1 864 . 1 1 68 68 LEU CD1 C 13 23.194 0.20 . 2 . . . . 69 Leu CD1 . 25175 1 865 . 1 1 68 68 LEU CD2 C 13 25.297 0.20 . 2 . . . . 69 Leu CD2 . 25175 1 866 . 1 1 68 68 LEU N N 15 129.225 0.30 . 1 . . . . 69 Leu N . 25175 1 867 . 1 1 69 69 VAL H H 1 8.719 0.05 . 1 . . . . 70 Val H . 25175 1 868 . 1 1 69 69 VAL HA H 1 3.972 0.05 . 1 . . . . 70 Val HA . 25175 1 869 . 1 1 69 69 VAL HB H 1 2.018 0.05 . 1 . . . . 70 Val HB . 25175 1 870 . 1 1 69 69 VAL HG11 H 1 0.660 0.05 . 2 . . . . 70 Val HG11 . 25175 1 871 . 1 1 69 69 VAL HG12 H 1 0.660 0.05 . 2 . . . . 70 Val HG12 . 25175 1 872 . 1 1 69 69 VAL HG13 H 1 0.660 0.05 . 2 . . . . 70 Val HG13 . 25175 1 873 . 1 1 69 69 VAL HG21 H 1 0.803 0.05 . 2 . . . . 70 Val HG21 . 25175 1 874 . 1 1 69 69 VAL HG22 H 1 0.803 0.05 . 2 . . . . 70 Val HG22 . 25175 1 875 . 1 1 69 69 VAL HG23 H 1 0.803 0.05 . 2 . . . . 70 Val HG23 . 25175 1 876 . 1 1 69 69 VAL C C 13 175.166 0.20 . 1 . . . . 70 Val C . 25175 1 877 . 1 1 69 69 VAL CA C 13 61.879 0.20 . 1 . . . . 70 Val CA . 25175 1 878 . 1 1 69 69 VAL CB C 13 31.328 0.20 . 1 . . . . 70 Val CB . 25175 1 879 . 1 1 69 69 VAL CG1 C 13 22.190 0.20 . 2 . . . . 70 Val CG1 . 25175 1 880 . 1 1 69 69 VAL CG2 C 13 20.711 0.20 . 2 . . . . 70 Val CG2 . 25175 1 881 . 1 1 69 69 VAL N N 15 123.636 0.30 . 1 . . . . 70 Val N . 25175 1 882 . 1 1 70 70 LEU H H 1 8.938 0.05 . 1 . . . . 71 Leu H . 25175 1 883 . 1 1 70 70 LEU HA H 1 4.945 0.05 . 1 . . . . 71 Leu HA . 25175 1 884 . 1 1 70 70 LEU HB2 H 1 1.733 0.05 . 2 . . . . 71 Leu HB2 . 25175 1 885 . 1 1 70 70 LEU HB3 H 1 1.516 0.05 . 2 . . . . 71 Leu HB3 . 25175 1 886 . 1 1 70 70 LEU HG H 1 1.432 0.05 . 1 . . . . 71 Leu HG . 25175 1 887 . 1 1 70 70 LEU HD11 H 1 0.619 0.05 . 2 . . . . 71 Leu HD11 . 25175 1 888 . 1 1 70 70 LEU HD12 H 1 0.619 0.05 . 2 . . . . 71 Leu HD12 . 25175 1 889 . 1 1 70 70 LEU HD13 H 1 0.619 0.05 . 2 . . . . 71 Leu HD13 . 25175 1 890 . 1 1 70 70 LEU HD21 H 1 0.385 0.05 . 2 . . . . 71 Leu HD21 . 25175 1 891 . 1 1 70 70 LEU HD22 H 1 0.385 0.05 . 2 . . . . 71 Leu HD22 . 25175 1 892 . 1 1 70 70 LEU HD23 H 1 0.385 0.05 . 2 . . . . 71 Leu HD23 . 25175 1 893 . 1 1 70 70 LEU C C 13 175.174 0.20 . 1 . . . . 71 Leu C . 25175 1 894 . 1 1 70 70 LEU CA C 13 53.993 0.20 . 1 . . . . 71 Leu CA . 25175 1 895 . 1 1 70 70 LEU CB C 13 40.850 0.20 . 1 . . . . 71 Leu CB . 25175 1 896 . 1 1 70 70 LEU CG C 13 27.697 0.20 . 1 . . . . 71 Leu CG . 25175 1 897 . 1 1 70 70 LEU CD1 C 13 25.872 0.20 . 2 . . . . 71 Leu CD1 . 25175 1 898 . 1 1 70 70 LEU CD2 C 13 26.169 0.20 . 2 . . . . 71 Leu CD2 . 25175 1 899 . 1 1 70 70 LEU N N 15 131.997 0.30 . 1 . . . . 71 Leu N . 25175 1 900 . 1 1 71 71 ASN H H 1 9.058 0.05 . 1 . . . . 72 Asn H . 25175 1 901 . 1 1 71 71 ASN HA H 1 4.936 0.05 . 1 . . . . 72 Asn HA . 25175 1 902 . 1 1 71 71 ASN HB2 H 1 2.620 0.05 . 2 . . . . 72 Asn HB2 . 25175 1 903 . 1 1 71 71 ASN HB3 H 1 2.221 0.05 . 2 . . . . 72 Asn HB3 . 25175 1 904 . 1 1 71 71 ASN HD21 H 1 6.720 0.05 . 1 . . . . 72 Asn HD21 . 25175 1 905 . 1 1 71 71 ASN HD22 H 1 7.403 0.05 . 1 . . . . 72 Asn HD22 . 25175 1 906 . 1 1 71 71 ASN C C 13 173.289 0.20 . 1 . . . . 72 Asn C . 25175 1 907 . 1 1 71 71 ASN CA C 13 52.702 0.20 . 1 . . . . 72 Asn CA . 25175 1 908 . 1 1 71 71 ASN CB C 13 42.007 0.20 . 1 . . . . 72 Asn CB . 25175 1 909 . 1 1 71 71 ASN N N 15 121.451 0.30 . 1 . . . . 72 Asn N . 25175 1 910 . 1 1 71 71 ASN ND2 N 15 112.275 0.30 . 1 . . . . 72 Asn ND2 . 25175 1 911 . 1 1 72 72 ASN H H 1 6.921 0.05 . 1 . . . . 73 Asn H . 25175 1 912 . 1 1 72 72 ASN HA H 1 4.413 0.05 . 1 . . . . 73 Asn HA . 25175 1 913 . 1 1 72 72 ASN HB2 H 1 3.429 0.05 . 2 . . . . 73 Asn HB2 . 25175 1 914 . 1 1 72 72 ASN HB3 H 1 2.036 0.05 . 2 . . . . 73 Asn HB3 . 25175 1 915 . 1 1 72 72 ASN HD21 H 1 6.789 0.05 . 1 . . . . 73 Asn HD21 . 25175 1 916 . 1 1 72 72 ASN HD22 H 1 6.904 0.05 . 1 . . . . 73 Asn HD22 . 25175 1 917 . 1 1 72 72 ASN C C 13 173.010 0.20 . 1 . . . . 73 Asn C . 25175 1 918 . 1 1 72 72 ASN CA C 13 55.596 0.20 . 1 . . . . 73 Asn CA . 25175 1 919 . 1 1 72 72 ASN CB C 13 37.471 0.20 . 1 . . . . 73 Asn CB . 25175 1 920 . 1 1 72 72 ASN N N 15 115.659 0.30 . 1 . . . . 73 Asn N . 25175 1 921 . 1 1 72 72 ASN ND2 N 15 110.306 0.30 . 1 . . . . 73 Asn ND2 . 25175 1 922 . 1 1 73 73 ILE H H 1 8.116 0.05 . 1 . . . . 74 Ile H . 25175 1 923 . 1 1 73 73 ILE HA H 1 5.052 0.05 . 1 . . . . 74 Ile HA . 25175 1 924 . 1 1 73 73 ILE HB H 1 1.354 0.05 . 1 . . . . 74 Ile HB . 25175 1 925 . 1 1 73 73 ILE HG12 H 1 0.800 0.05 . 2 . . . . 74 Ile HG12 . 25175 1 926 . 1 1 73 73 ILE HG13 H 1 1.458 0.05 . 2 . . . . 74 Ile HG13 . 25175 1 927 . 1 1 73 73 ILE HG21 H 1 0.724 0.05 . 1 . . . . 74 Ile HG21 . 25175 1 928 . 1 1 73 73 ILE HG22 H 1 0.724 0.05 . 1 . . . . 74 Ile HG22 . 25175 1 929 . 1 1 73 73 ILE HG23 H 1 0.724 0.05 . 1 . . . . 74 Ile HG23 . 25175 1 930 . 1 1 73 73 ILE HD11 H 1 0.103 0.05 . 1 . . . . 74 Ile HD11 . 25175 1 931 . 1 1 73 73 ILE HD12 H 1 0.103 0.05 . 1 . . . . 74 Ile HD12 . 25175 1 932 . 1 1 73 73 ILE HD13 H 1 0.103 0.05 . 1 . . . . 74 Ile HD13 . 25175 1 933 . 1 1 73 73 ILE C C 13 175.195 0.20 . 1 . . . . 74 Ile C . 25175 1 934 . 1 1 73 73 ILE CA C 13 59.829 0.20 . 1 . . . . 74 Ile CA . 25175 1 935 . 1 1 73 73 ILE CB C 13 39.888 0.20 . 1 . . . . 74 Ile CB . 25175 1 936 . 1 1 73 73 ILE CG1 C 13 28.522 0.20 . 1 . . . . 74 Ile CG1 . 25175 1 937 . 1 1 73 73 ILE CG2 C 13 17.886 0.20 . 1 . . . . 74 Ile CG2 . 25175 1 938 . 1 1 73 73 ILE CD1 C 13 12.586 0.20 . 1 . . . . 74 Ile CD1 . 25175 1 939 . 1 1 73 73 ILE N N 15 116.003 0.30 . 1 . . . . 74 Ile N . 25175 1 940 . 1 1 74 74 TYR H H 1 9.843 0.05 . 1 . . . . 75 Tyr H . 25175 1 941 . 1 1 74 74 TYR HA H 1 4.994 0.05 . 1 . . . . 75 Tyr HA . 25175 1 942 . 1 1 74 74 TYR HB2 H 1 2.829 0.05 . 2 . . . . 75 Tyr HB2 . 25175 1 943 . 1 1 74 74 TYR HB3 H 1 2.709 0.05 . 2 . . . . 75 Tyr HB3 . 25175 1 944 . 1 1 74 74 TYR HD1 H 1 6.938 0.05 . 3 . . . . 75 Tyr HD1 . 25175 1 945 . 1 1 74 74 TYR HD2 H 1 6.938 0.05 . 3 . . . . 75 Tyr HD2 . 25175 1 946 . 1 1 74 74 TYR HE1 H 1 7.082 0.05 . 3 . . . . 75 Tyr HE1 . 25175 1 947 . 1 1 74 74 TYR HE2 H 1 7.082 0.05 . 3 . . . . 75 Tyr HE2 . 25175 1 948 . 1 1 74 74 TYR C C 13 174.416 0.20 . 1 . . . . 75 Tyr C . 25175 1 949 . 1 1 74 74 TYR CA C 13 56.427 0.20 . 1 . . . . 75 Tyr CA . 25175 1 950 . 1 1 74 74 TYR CB C 13 42.284 0.20 . 1 . . . . 75 Tyr CB . 25175 1 951 . 1 1 74 74 TYR CD1 C 13 133.473 0.20 . 3 . . . . 75 Tyr CD1 . 25175 1 952 . 1 1 74 74 TYR CD2 C 13 133.473 0.20 . 3 . . . . 75 Tyr CD2 . 25175 1 953 . 1 1 74 74 TYR CE1 C 13 119.399 0.20 . 3 . . . . 75 Tyr CE1 . 25175 1 954 . 1 1 74 74 TYR CE2 C 13 119.399 0.20 . 3 . . . . 75 Tyr CE2 . 25175 1 955 . 1 1 74 74 TYR N N 15 126.454 0.30 . 1 . . . . 75 Tyr N . 25175 1 956 . 1 1 75 75 GLU H H 1 8.589 0.05 . 1 . . . . 76 Glu H . 25175 1 957 . 1 1 75 75 GLU HA H 1 4.992 0.05 . 1 . . . . 76 Glu HA . 25175 1 958 . 1 1 75 75 GLU HB2 H 1 1.876 0.05 . 2 . . . . 76 Glu HB2 . 25175 1 959 . 1 1 75 75 GLU HB3 H 1 2.149 0.05 . 2 . . . . 76 Glu HB3 . 25175 1 960 . 1 1 75 75 GLU HG2 H 1 2.484 0.05 . 2 . . . . 76 Glu HG2 . 25175 1 961 . 1 1 75 75 GLU HG3 H 1 2.155 0.05 . 2 . . . . 76 Glu HG3 . 25175 1 962 . 1 1 75 75 GLU C C 13 175.447 0.20 . 1 . . . . 76 Glu C . 25175 1 963 . 1 1 75 75 GLU CA C 13 55.279 0.20 . 1 . . . . 76 Glu CA . 25175 1 964 . 1 1 75 75 GLU CB C 13 32.694 0.20 . 1 . . . . 76 Glu CB . 25175 1 965 . 1 1 75 75 GLU CG C 13 37.861 0.20 . 1 . . . . 76 Glu CG . 25175 1 966 . 1 1 75 75 GLU N N 15 119.823 0.30 . 1 . . . . 76 Glu N . 25175 1 967 . 1 1 76 76 ALA H H 1 9.156 0.05 . 1 . . . . 77 Ala H . 25175 1 968 . 1 1 76 76 ALA HA H 1 5.078 0.05 . 1 . . . . 77 Ala HA . 25175 1 969 . 1 1 76 76 ALA HB1 H 1 1.445 0.05 . 1 . . . . 77 Ala HB1 . 25175 1 970 . 1 1 76 76 ALA HB2 H 1 1.445 0.05 . 1 . . . . 77 Ala HB2 . 25175 1 971 . 1 1 76 76 ALA HB3 H 1 1.445 0.05 . 1 . . . . 77 Ala HB3 . 25175 1 972 . 1 1 76 76 ALA C C 13 180.231 0.20 . 1 . . . . 77 Ala C . 25175 1 973 . 1 1 76 76 ALA CA C 13 50.907 0.20 . 1 . . . . 77 Ala CA . 25175 1 974 . 1 1 76 76 ALA CB C 13 21.130 0.20 . 1 . . . . 77 Ala CB . 25175 1 975 . 1 1 76 76 ALA N N 15 127.429 0.30 . 1 . . . . 77 Ala N . 25175 1 976 . 1 1 77 77 SER H H 1 9.019 0.05 . 1 . . . . 78 Ser H . 25175 1 977 . 1 1 77 77 SER HA H 1 4.076 0.05 . 1 . . . . 78 Ser HA . 25175 1 978 . 1 1 77 77 SER HB2 H 1 3.970 0.05 . 2 . . . . 78 Ser HB2 . 25175 1 979 . 1 1 77 77 SER HB3 H 1 3.881 0.05 . 2 . . . . 78 Ser HB3 . 25175 1 980 . 1 1 77 77 SER C C 13 174.511 0.20 . 1 . . . . 78 Ser C . 25175 1 981 . 1 1 77 77 SER CA C 13 61.345 0.20 . 1 . . . . 78 Ser CA . 25175 1 982 . 1 1 77 77 SER CB C 13 62.941 0.20 . 1 . . . . 78 Ser CB . 25175 1 983 . 1 1 77 77 SER N N 15 117.103 0.30 . 1 . . . . 78 Ser N . 25175 1 984 . 1 1 78 78 ASP H H 1 7.889 0.05 . 1 . . . . 79 Asp H . 25175 1 985 . 1 1 78 78 ASP HA H 1 4.639 0.05 . 1 . . . . 79 Asp HA . 25175 1 986 . 1 1 78 78 ASP HB2 H 1 3.084 0.05 . 2 . . . . 79 Asp HB2 . 25175 1 987 . 1 1 78 78 ASP HB3 H 1 2.579 0.05 . 2 . . . . 79 Asp HB3 . 25175 1 988 . 1 1 78 78 ASP C C 13 176.749 0.20 . 1 . . . . 79 Asp C . 25175 1 989 . 1 1 78 78 ASP CA C 13 53.193 0.20 . 1 . . . . 79 Asp CA . 25175 1 990 . 1 1 78 78 ASP CB C 13 39.717 0.20 . 1 . . . . 79 Asp CB . 25175 1 991 . 1 1 78 78 ASP N N 15 119.556 0.30 . 1 . . . . 79 Asp N . 25175 1 992 . 1 1 79 79 LYS H H 1 8.291 0.05 . 1 . . . . 80 Lys H . 25175 1 993 . 1 1 79 79 LYS HA H 1 3.872 0.05 . 1 . . . . 80 Lys HA . 25175 1 994 . 1 1 79 79 LYS HB2 H 1 2.092 0.05 . 2 . . . . 80 Lys HB2 . 25175 1 995 . 1 1 79 79 LYS HB3 H 1 2.379 0.05 . 2 . . . . 80 Lys HB3 . 25175 1 996 . 1 1 79 79 LYS HG2 H 1 1.474 0.05 . 2 . . . . 80 Lys HG2 . 25175 1 997 . 1 1 79 79 LYS HG3 H 1 1.379 0.05 . 2 . . . . 80 Lys HG3 . 25175 1 998 . 1 1 79 79 LYS HD2 H 1 1.682 0.05 . 1 . . . . 80 Lys HD2 . 25175 1 999 . 1 1 79 79 LYS HD3 H 1 1.682 0.05 . 1 . . . . 80 Lys HD3 . 25175 1 1000 . 1 1 79 79 LYS HE2 H 1 3.023 0.05 . 1 . . . . 80 Lys HE2 . 25175 1 1001 . 1 1 79 79 LYS HE3 H 1 3.023 0.05 . 1 . . . . 80 Lys HE3 . 25175 1 1002 . 1 1 79 79 LYS C C 13 176.303 0.20 . 1 . . . . 80 Lys C . 25175 1 1003 . 1 1 79 79 LYS CA C 13 58.718 0.20 . 1 . . . . 80 Lys CA . 25175 1 1004 . 1 1 79 79 LYS CB C 13 28.984 0.20 . 1 . . . . 80 Lys CB . 25175 1 1005 . 1 1 79 79 LYS CG C 13 25.295 0.20 . 1 . . . . 80 Lys CG . 25175 1 1006 . 1 1 79 79 LYS CD C 13 28.799 0.20 . 1 . . . . 80 Lys CD . 25175 1 1007 . 1 1 79 79 LYS CE C 13 42.311 0.20 . 1 . . . . 80 Lys CE . 25175 1 1008 . 1 1 79 79 LYS N N 15 111.675 0.30 . 1 . . . . 80 Lys N . 25175 1 1009 . 1 1 80 80 SER H H 1 8.039 0.05 . 1 . . . . 81 Ser H . 25175 1 1010 . 1 1 80 80 SER HA H 1 4.476 0.05 . 1 . . . . 81 Ser HA . 25175 1 1011 . 1 1 80 80 SER HB2 H 1 4.069 0.05 . 2 . . . . 81 Ser HB2 . 25175 1 1012 . 1 1 80 80 SER HB3 H 1 3.919 0.05 . 2 . . . . 81 Ser HB3 . 25175 1 1013 . 1 1 80 80 SER C C 13 172.079 0.20 . 1 . . . . 81 Ser C . 25175 1 1014 . 1 1 80 80 SER CA C 13 59.582 0.20 . 1 . . . . 81 Ser CA . 25175 1 1015 . 1 1 80 80 SER CB C 13 63.976 0.20 . 1 . . . . 81 Ser CB . 25175 1 1016 . 1 1 80 80 SER N N 15 115.843 0.30 . 1 . . . . 81 Ser N . 25175 1 1017 . 1 1 81 81 LEU H H 1 9.040 0.05 . 1 . . . . 82 Leu H . 25175 1 1018 . 1 1 81 81 LEU HA H 1 5.635 0.05 . 1 . . . . 82 Leu HA . 25175 1 1019 . 1 1 81 81 LEU HB2 H 1 1.782 0.05 . 2 . . . . 82 Leu HB2 . 25175 1 1020 . 1 1 81 81 LEU HB3 H 1 1.192 0.05 . 2 . . . . 82 Leu HB3 . 25175 1 1021 . 1 1 81 81 LEU HG H 1 1.870 0.05 . 1 . . . . 82 Leu HG . 25175 1 1022 . 1 1 81 81 LEU HD11 H 1 0.900 0.05 . 2 . . . . 82 Leu HD11 . 25175 1 1023 . 1 1 81 81 LEU HD12 H 1 0.900 0.05 . 2 . . . . 82 Leu HD12 . 25175 1 1024 . 1 1 81 81 LEU HD13 H 1 0.900 0.05 . 2 . . . . 82 Leu HD13 . 25175 1 1025 . 1 1 81 81 LEU HD21 H 1 0.861 0.05 . 2 . . . . 82 Leu HD21 . 25175 1 1026 . 1 1 81 81 LEU HD22 H 1 0.861 0.05 . 2 . . . . 82 Leu HD22 . 25175 1 1027 . 1 1 81 81 LEU HD23 H 1 0.861 0.05 . 2 . . . . 82 Leu HD23 . 25175 1 1028 . 1 1 81 81 LEU C C 13 177.887 0.20 . 1 . . . . 82 Leu C . 25175 1 1029 . 1 1 81 81 LEU CA C 13 53.466 0.20 . 1 . . . . 82 Leu CA . 25175 1 1030 . 1 1 81 81 LEU CB C 13 45.028 0.20 . 1 . . . . 82 Leu CB . 25175 1 1031 . 1 1 81 81 LEU CG C 13 27.143 0.20 . 1 . . . . 82 Leu CG . 25175 1 1032 . 1 1 81 81 LEU CD1 C 13 25.903 0.20 . 2 . . . . 82 Leu CD1 . 25175 1 1033 . 1 1 81 81 LEU CD2 C 13 23.010 0.20 . 2 . . . . 82 Leu CD2 . 25175 1 1034 . 1 1 81 81 LEU N N 15 118.812 0.30 . 1 . . . . 82 Leu N . 25175 1 1035 . 1 1 82 82 CYS H H 1 9.377 0.05 . 1 . . . . 83 Cys H . 25175 1 1036 . 1 1 82 82 CYS HA H 1 5.566 0.05 . 1 . . . . 83 Cys HA . 25175 1 1037 . 1 1 82 82 CYS HB2 H 1 2.985 0.05 . 2 . . . . 83 Cys HB2 . 25175 1 1038 . 1 1 82 82 CYS HB3 H 1 2.501 0.05 . 2 . . . . 83 Cys HB3 . 25175 1 1039 . 1 1 82 82 CYS C C 13 170.853 0.20 . 1 . . . . 83 Cys C . 25175 1 1040 . 1 1 82 82 CYS CA C 13 55.243 0.20 . 1 . . . . 83 Cys CA . 25175 1 1041 . 1 1 82 82 CYS CB C 13 32.285 0.20 . 1 . . . . 83 Cys CB . 25175 1 1042 . 1 1 82 82 CYS N N 15 114.737 0.30 . 1 . . . . 83 Cys N . 25175 1 1043 . 1 1 83 83 MET H H 1 9.615 0.05 . 1 . . . . 84 Met H . 25175 1 1044 . 1 1 83 83 MET HA H 1 5.687 0.05 . 1 . . . . 84 Met HA . 25175 1 1045 . 1 1 83 83 MET HB2 H 1 1.961 0.05 . 1 . . . . 84 Met HB2 . 25175 1 1046 . 1 1 83 83 MET HB3 H 1 1.961 0.05 . 1 . . . . 84 Met HB3 . 25175 1 1047 . 1 1 83 83 MET HG2 H 1 2.692 0.05 . 1 . . . . 84 Met HG2 . 25175 1 1048 . 1 1 83 83 MET HG3 H 1 2.692 0.05 . 1 . . . . 84 Met HG3 . 25175 1 1049 . 1 1 83 83 MET HE1 H 1 1.126 0.05 . 1 . . . . 84 Met HE1 . 25175 1 1050 . 1 1 83 83 MET HE2 H 1 1.126 0.05 . 1 . . . . 84 Met HE2 . 25175 1 1051 . 1 1 83 83 MET HE3 H 1 1.126 0.05 . 1 . . . . 84 Met HE3 . 25175 1 1052 . 1 1 83 83 MET C C 13 176.417 0.20 . 1 . . . . 84 Met C . 25175 1 1053 . 1 1 83 83 MET CA C 13 53.755 0.20 . 1 . . . . 84 Met CA . 25175 1 1054 . 1 1 83 83 MET CB C 13 38.556 0.20 . 1 . . . . 84 Met CB . 25175 1 1055 . 1 1 83 83 MET CG C 13 30.788 0.20 . 1 . . . . 84 Met CG . 25175 1 1056 . 1 1 83 83 MET CE C 13 16.629 0.20 . 1 . . . . 84 Met CE . 25175 1 1057 . 1 1 83 83 MET N N 15 123.566 0.30 . 1 . . . . 84 Met N . 25175 1 1058 . 1 1 84 84 GLY H H 1 8.596 0.05 . 1 . . . . 85 Gly H . 25175 1 1059 . 1 1 84 84 GLY HA2 H 1 4.560 0.05 . 2 . . . . 85 Gly HA2 . 25175 1 1060 . 1 1 84 84 GLY HA3 H 1 4.024 0.05 . 2 . . . . 85 Gly HA3 . 25175 1 1061 . 1 1 84 84 GLY C C 13 173.572 0.20 . 1 . . . . 85 Gly C . 25175 1 1062 . 1 1 84 84 GLY CA C 13 46.295 0.20 . 1 . . . . 85 Gly CA . 25175 1 1063 . 1 1 84 84 GLY N N 15 114.559 0.30 . 1 . . . . 85 Gly N . 25175 1 1064 . 1 1 85 85 ILE H H 1 8.457 0.05 . 1 . . . . 86 Ile H . 25175 1 1065 . 1 1 85 85 ILE HA H 1 4.713 0.05 . 1 . . . . 86 Ile HA . 25175 1 1066 . 1 1 85 85 ILE HB H 1 1.909 0.05 . 1 . . . . 86 Ile HB . 25175 1 1067 . 1 1 85 85 ILE HG21 H 1 0.412 0.05 . 1 . . . . 86 Ile HG21 . 25175 1 1068 . 1 1 85 85 ILE HG22 H 1 0.412 0.05 . 1 . . . . 86 Ile HG22 . 25175 1 1069 . 1 1 85 85 ILE HG23 H 1 0.412 0.05 . 1 . . . . 86 Ile HG23 . 25175 1 1070 . 1 1 85 85 ILE HD11 H 1 0.838 0.05 . 1 . . . . 86 Ile HD11 . 25175 1 1071 . 1 1 85 85 ILE HD12 H 1 0.838 0.05 . 1 . . . . 86 Ile HD12 . 25175 1 1072 . 1 1 85 85 ILE HD13 H 1 0.838 0.05 . 1 . . . . 86 Ile HD13 . 25175 1 1073 . 1 1 85 85 ILE C C 13 175.542 0.20 . 1 . . . . 86 Ile C . 25175 1 1074 . 1 1 85 85 ILE CA C 13 60.908 0.20 . 1 . . . . 86 Ile CA . 25175 1 1075 . 1 1 85 85 ILE CB C 13 39.818 0.20 . 1 . . . . 86 Ile CB . 25175 1 1076 . 1 1 85 85 ILE CG2 C 13 17.985 0.20 . 1 . . . . 86 Ile CG2 . 25175 1 1077 . 1 1 85 85 ILE CD1 C 13 14.485 0.20 . 1 . . . . 86 Ile CD1 . 25175 1 1078 . 1 1 85 85 ILE N N 15 125.930 0.30 . 1 . . . . 86 Ile N . 25175 1 1079 . 1 1 86 86 ASN H H 1 9.278 0.05 . 1 . . . . 87 Asn H . 25175 1 1080 . 1 1 86 86 ASN HA H 1 4.181 0.05 . 1 . . . . 87 Asn HA . 25175 1 1081 . 1 1 86 86 ASN HB2 H 1 3.071 0.05 . 1 . . . . 87 Asn HB2 . 25175 1 1082 . 1 1 86 86 ASN HB3 H 1 3.071 0.05 . 1 . . . . 87 Asn HB3 . 25175 1 1083 . 1 1 86 86 ASN HD21 H 1 7.166 0.05 . 1 . . . . 87 Asn HD21 . 25175 1 1084 . 1 1 86 86 ASN HD22 H 1 6.964 0.05 . 1 . . . . 87 Asn HD22 . 25175 1 1085 . 1 1 86 86 ASN C C 13 174.611 0.20 . 1 . . . . 87 Asn C . 25175 1 1086 . 1 1 86 86 ASN CA C 13 57.359 0.20 . 1 . . . . 87 Asn CA . 25175 1 1087 . 1 1 86 86 ASN CB C 13 35.529 0.20 . 1 . . . . 87 Asn CB . 25175 1 1088 . 1 1 86 86 ASN N N 15 126.026 0.30 . 1 . . . . 87 Asn N . 25175 1 1089 . 1 1 86 86 ASN ND2 N 15 108.896 0.30 . 1 . . . . 87 Asn ND2 . 25175 1 1090 . 1 1 87 87 ASP HA H 1 4.466 0.05 . 1 . . . . 88 Asp HA . 25175 1 1091 . 1 1 87 87 ASP HB2 H 1 3.005 0.05 . 2 . . . . 88 Asp HB2 . 25175 1 1092 . 1 1 87 87 ASP HB3 H 1 2.800 0.05 . 2 . . . . 88 Asp HB3 . 25175 1 1093 . 1 1 87 87 ASP C C 13 174.416 0.20 . 1 . . . . 88 Asp C . 25175 1 1094 . 1 1 87 87 ASP CA C 13 55.151 0.20 . 1 . . . . 88 Asp CA . 25175 1 1095 . 1 1 87 87 ASP CB C 13 39.571 0.20 . 1 . . . . 88 Asp CB . 25175 1 1096 . 1 1 88 88 ARG H H 1 8.194 0.05 . 1 . . . . 89 Arg H . 25175 1 1097 . 1 1 88 88 ARG HA H 1 4.507 0.05 . 1 . . . . 89 Arg HA . 25175 1 1098 . 1 1 88 88 ARG HB2 H 1 1.929 0.05 . 2 . . . . 89 Arg HB2 . 25175 1 1099 . 1 1 88 88 ARG HB3 H 1 1.809 0.05 . 2 . . . . 89 Arg HB3 . 25175 1 1100 . 1 1 88 88 ARG HG2 H 1 1.710 0.05 . 1 . . . . 89 Arg HG2 . 25175 1 1101 . 1 1 88 88 ARG HG3 H 1 1.710 0.05 . 1 . . . . 89 Arg HG3 . 25175 1 1102 . 1 1 88 88 ARG HD2 H 1 3.191 0.05 . 1 . . . . 89 Arg HD2 . 25175 1 1103 . 1 1 88 88 ARG HD3 H 1 3.191 0.05 . 1 . . . . 89 Arg HD3 . 25175 1 1104 . 1 1 88 88 ARG C C 13 174.790 0.20 . 1 . . . . 89 Arg C . 25175 1 1105 . 1 1 88 88 ARG CA C 13 54.550 0.20 . 1 . . . . 89 Arg CA . 25175 1 1106 . 1 1 88 88 ARG CB C 13 35.293 0.20 . 1 . . . . 89 Arg CB . 25175 1 1107 . 1 1 88 88 ARG CG C 13 27.623 0.20 . 1 . . . . 89 Arg CG . 25175 1 1108 . 1 1 88 88 ARG CD C 13 44.248 0.20 . 1 . . . . 89 Arg CD . 25175 1 1109 . 1 1 88 88 ARG N N 15 120.783 0.30 . 1 . . . . 89 Arg N . 25175 1 1110 . 1 1 89 89 TYR H H 1 8.318 0.05 . 1 . . . . 90 Tyr H . 25175 1 1111 . 1 1 89 89 TYR HA H 1 5.400 0.05 . 1 . . . . 90 Tyr HA . 25175 1 1112 . 1 1 89 89 TYR HB2 H 1 2.323 0.05 . 2 . . . . 90 Tyr HB2 . 25175 1 1113 . 1 1 89 89 TYR HB3 H 1 3.129 0.05 . 2 . . . . 90 Tyr HB3 . 25175 1 1114 . 1 1 89 89 TYR HD1 H 1 6.670 0.05 . 3 . . . . 90 Tyr HD1 . 25175 1 1115 . 1 1 89 89 TYR HD2 H 1 6.670 0.05 . 3 . . . . 90 Tyr HD2 . 25175 1 1116 . 1 1 89 89 TYR HE1 H 1 6.198 0.05 . 3 . . . . 90 Tyr HE1 . 25175 1 1117 . 1 1 89 89 TYR HE2 H 1 6.198 0.05 . 3 . . . . 90 Tyr HE2 . 25175 1 1118 . 1 1 89 89 TYR C C 13 174.883 0.20 . 1 . . . . 90 Tyr C . 25175 1 1119 . 1 1 89 89 TYR CA C 13 56.913 0.20 . 1 . . . . 90 Tyr CA . 25175 1 1120 . 1 1 89 89 TYR CB C 13 41.211 0.20 . 1 . . . . 90 Tyr CB . 25175 1 1121 . 1 1 89 89 TYR CD1 C 13 133.026 0.20 . 3 . . . . 90 Tyr CD1 . 25175 1 1122 . 1 1 89 89 TYR CD2 C 13 133.026 0.20 . 3 . . . . 90 Tyr CD2 . 25175 1 1123 . 1 1 89 89 TYR CE1 C 13 117.787 0.20 . 3 . . . . 90 Tyr CE1 . 25175 1 1124 . 1 1 89 89 TYR CE2 C 13 117.787 0.20 . 3 . . . . 90 Tyr CE2 . 25175 1 1125 . 1 1 89 89 TYR N N 15 119.284 0.30 . 1 . . . . 90 Tyr N . 25175 1 1126 . 1 1 90 90 TYR H H 1 8.905 0.05 . 1 . . . . 91 Tyr H . 25175 1 1127 . 1 1 90 90 TYR HA H 1 5.124 0.05 . 1 . . . . 91 Tyr HA . 25175 1 1128 . 1 1 90 90 TYR HB2 H 1 2.490 0.05 . 2 . . . . 91 Tyr HB2 . 25175 1 1129 . 1 1 90 90 TYR HB3 H 1 3.319 0.05 . 2 . . . . 91 Tyr HB3 . 25175 1 1130 . 1 1 90 90 TYR HD1 H 1 6.881 0.05 . 3 . . . . 91 Tyr HD1 . 25175 1 1131 . 1 1 90 90 TYR HD2 H 1 6.881 0.05 . 3 . . . . 91 Tyr HD2 . 25175 1 1132 . 1 1 90 90 TYR HE1 H 1 6.639 0.05 . 3 . . . . 91 Tyr HE1 . 25175 1 1133 . 1 1 90 90 TYR HE2 H 1 6.639 0.05 . 3 . . . . 91 Tyr HE2 . 25175 1 1134 . 1 1 90 90 TYR C C 13 175.916 0.20 . 1 . . . . 91 Tyr C . 25175 1 1135 . 1 1 90 90 TYR CA C 13 57.442 0.20 . 1 . . . . 91 Tyr CA . 25175 1 1136 . 1 1 90 90 TYR CB C 13 42.037 0.20 . 1 . . . . 91 Tyr CB . 25175 1 1137 . 1 1 90 90 TYR CD1 C 13 133.095 0.20 . 3 . . . . 91 Tyr CD1 . 25175 1 1138 . 1 1 90 90 TYR CD2 C 13 133.095 0.20 . 3 . . . . 91 Tyr CD2 . 25175 1 1139 . 1 1 90 90 TYR CE1 C 13 117.894 0.20 . 3 . . . . 91 Tyr CE1 . 25175 1 1140 . 1 1 90 90 TYR CE2 C 13 117.894 0.20 . 3 . . . . 91 Tyr CE2 . 25175 1 1141 . 1 1 90 90 TYR N N 15 119.855 0.30 . 1 . . . . 91 Tyr N . 25175 1 1142 . 1 1 91 91 LYS H H 1 8.978 0.05 . 1 . . . . 92 Lys H . 25175 1 1143 . 1 1 91 91 LYS HA H 1 4.396 0.05 . 1 . . . . 92 Lys HA . 25175 1 1144 . 1 1 91 91 LYS HB2 H 1 2.023 0.05 . 2 . . . . 92 Lys HB2 . 25175 1 1145 . 1 1 91 91 LYS HB3 H 1 1.766 0.05 . 2 . . . . 92 Lys HB3 . 25175 1 1146 . 1 1 91 91 LYS HG2 H 1 1.678 0.05 . 2 . . . . 92 Lys HG2 . 25175 1 1147 . 1 1 91 91 LYS HG3 H 1 1.434 0.05 . 2 . . . . 92 Lys HG3 . 25175 1 1148 . 1 1 91 91 LYS HD2 H 1 1.793 0.05 . 1 . . . . 92 Lys HD2 . 25175 1 1149 . 1 1 91 91 LYS HD3 H 1 1.793 0.05 . 1 . . . . 92 Lys HD3 . 25175 1 1150 . 1 1 91 91 LYS HE2 H 1 3.038 0.05 . 2 . . . . 92 Lys HE2 . 25175 1 1151 . 1 1 91 91 LYS HE3 H 1 2.969 0.05 . 2 . . . . 92 Lys HE3 . 25175 1 1152 . 1 1 91 91 LYS C C 13 176.199 0.20 . 1 . . . . 92 Lys C . 25175 1 1153 . 1 1 91 91 LYS CA C 13 57.446 0.20 . 1 . . . . 92 Lys CA . 25175 1 1154 . 1 1 91 91 LYS CB C 13 32.562 0.20 . 1 . . . . 92 Lys CB . 25175 1 1155 . 1 1 91 91 LYS CG C 13 24.744 0.20 . 1 . . . . 92 Lys CG . 25175 1 1156 . 1 1 91 91 LYS CD C 13 29.668 0.20 . 1 . . . . 92 Lys CD . 25175 1 1157 . 1 1 91 91 LYS CE C 13 41.471 0.20 . 1 . . . . 92 Lys CE . 25175 1 1158 . 1 1 91 91 LYS N N 15 124.213 0.30 . 1 . . . . 92 Lys N . 25175 1 1159 . 1 1 92 92 ILE H H 1 8.410 0.05 . 1 . . . . 93 Ile H . 25175 1 1160 . 1 1 92 92 ILE HA H 1 5.430 0.05 . 1 . . . . 93 Ile HA . 25175 1 1161 . 1 1 92 92 ILE HB H 1 1.926 0.05 . 1 . . . . 93 Ile HB . 25175 1 1162 . 1 1 92 92 ILE HG21 H 1 1.172 0.05 . 1 . . . . 93 Ile HG21 . 25175 1 1163 . 1 1 92 92 ILE HG22 H 1 1.172 0.05 . 1 . . . . 93 Ile HG22 . 25175 1 1164 . 1 1 92 92 ILE HG23 H 1 1.172 0.05 . 1 . . . . 93 Ile HG23 . 25175 1 1165 . 1 1 92 92 ILE HD11 H 1 0.585 0.05 . 1 . . . . 93 Ile HD11 . 25175 1 1166 . 1 1 92 92 ILE HD12 H 1 0.585 0.05 . 1 . . . . 93 Ile HD12 . 25175 1 1167 . 1 1 92 92 ILE HD13 H 1 0.585 0.05 . 1 . . . . 93 Ile HD13 . 25175 1 1168 . 1 1 92 92 ILE C C 13 173.572 0.20 . 1 . . . . 93 Ile C . 25175 1 1169 . 1 1 92 92 ILE CA C 13 59.110 0.20 . 1 . . . . 93 Ile CA . 25175 1 1170 . 1 1 92 92 ILE CB C 13 40.283 0.20 . 1 . . . . 93 Ile CB . 25175 1 1171 . 1 1 92 92 ILE CG2 C 13 19.418 0.20 . 1 . . . . 93 Ile CG2 . 25175 1 1172 . 1 1 92 92 ILE CD1 C 13 14.624 0.20 . 1 . . . . 93 Ile CD1 . 25175 1 1173 . 1 1 92 92 ILE N N 15 122.120 0.30 . 1 . . . . 93 Ile N . 25175 1 1174 . 1 1 93 93 LEU H H 1 8.298 0.05 . 1 . . . . 94 Leu H . 25175 1 1175 . 1 1 93 93 LEU HA H 1 5.078 0.05 . 1 . . . . 94 Leu HA . 25175 1 1176 . 1 1 93 93 LEU HB2 H 1 1.020 0.05 . 2 . . . . 94 Leu HB2 . 25175 1 1177 . 1 1 93 93 LEU HB3 H 1 1.717 0.05 . 2 . . . . 94 Leu HB3 . 25175 1 1178 . 1 1 93 93 LEU HD11 H 1 1.206 0.05 . 1 . . . . 94 Leu HD11 . 25175 1 1179 . 1 1 93 93 LEU HD12 H 1 1.206 0.05 . 1 . . . . 94 Leu HD12 . 25175 1 1180 . 1 1 93 93 LEU HD13 H 1 1.206 0.05 . 1 . . . . 94 Leu HD13 . 25175 1 1181 . 1 1 93 93 LEU HD21 H 1 1.206 0.05 . 1 . . . . 94 Leu HD21 . 25175 1 1182 . 1 1 93 93 LEU HD22 H 1 1.206 0.05 . 1 . . . . 94 Leu HD22 . 25175 1 1183 . 1 1 93 93 LEU HD23 H 1 1.206 0.05 . 1 . . . . 94 Leu HD23 . 25175 1 1184 . 1 1 93 93 LEU C C 13 172.822 0.20 . 1 . . . . 94 Leu C . 25175 1 1185 . 1 1 93 93 LEU CA C 13 51.554 0.20 . 1 . . . . 94 Leu CA . 25175 1 1186 . 1 1 93 93 LEU CB C 13 46.125 0.20 . 1 . . . . 94 Leu CB . 25175 1 1187 . 1 1 93 93 LEU CD2 C 13 22.914 0.20 . 1 . . . . 94 Leu CD2 . 25175 1 1188 . 1 1 93 93 LEU N N 15 122.103 0.30 . 1 . . . . 94 Leu N . 25175 1 1189 . 1 1 94 94 PRO HA H 1 4.176 0.05 . 1 . . . . 95 Pro HA . 25175 1 1190 . 1 1 94 94 PRO HB2 H 1 1.930 0.05 . 2 . . . . 95 Pro HB2 . 25175 1 1191 . 1 1 94 94 PRO HB3 H 1 2.062 0.05 . 2 . . . . 95 Pro HB3 . 25175 1 1192 . 1 1 94 94 PRO HG2 H 1 1.770 0.05 . 2 . . . . 95 Pro HG2 . 25175 1 1193 . 1 1 94 94 PRO HG3 H 1 1.436 0.05 . 2 . . . . 95 Pro HG3 . 25175 1 1194 . 1 1 94 94 PRO HD2 H 1 3.837 0.05 . 2 . . . . 95 Pro HD2 . 25175 1 1195 . 1 1 94 94 PRO HD3 H 1 3.710 0.05 . 2 . . . . 95 Pro HD3 . 25175 1 1196 . 1 1 94 94 PRO C C 13 177.335 0.20 . 1 . . . . 95 Pro C . 25175 1 1197 . 1 1 94 94 PRO CA C 13 62.180 0.20 . 1 . . . . 95 Pro CA . 25175 1 1198 . 1 1 94 94 PRO CB C 13 32.561 0.20 . 1 . . . . 95 Pro CB . 25175 1 1199 . 1 1 94 94 PRO CG C 13 27.804 0.20 . 1 . . . . 95 Pro CG . 25175 1 1200 . 1 1 94 94 PRO CD C 13 50.759 0.20 . 1 . . . . 95 Pro CD . 25175 1 1201 . 1 1 95 95 GLU H H 1 8.040 0.05 . 1 . . . . 96 Glu H . 25175 1 1202 . 1 1 95 95 GLU HA H 1 3.899 0.05 . 1 . . . . 96 Glu HA . 25175 1 1203 . 1 1 95 95 GLU HB2 H 1 1.847 0.05 . 2 . . . . 96 Glu HB2 . 25175 1 1204 . 1 1 95 95 GLU HB3 H 1 1.761 0.05 . 2 . . . . 96 Glu HB3 . 25175 1 1205 . 1 1 95 95 GLU HG2 H 1 2.150 0.05 . 2 . . . . 96 Glu HG2 . 25175 1 1206 . 1 1 95 95 GLU HG3 H 1 2.077 0.05 . 2 . . . . 96 Glu HG3 . 25175 1 1207 . 1 1 95 95 GLU C C 13 177.227 0.20 . 1 . . . . 96 Glu C . 25175 1 1208 . 1 1 95 95 GLU CA C 13 59.198 0.20 . 1 . . . . 96 Glu CA . 25175 1 1209 . 1 1 95 95 GLU CB C 13 29.337 0.20 . 1 . . . . 96 Glu CB . 25175 1 1210 . 1 1 95 95 GLU CG C 13 35.314 0.20 . 1 . . . . 96 Glu CG . 25175 1 1211 . 1 1 95 95 GLU N N 15 121.544 0.30 . 1 . . . . 96 Glu N . 25175 1 1212 . 1 1 96 96 SER H H 1 8.038 0.05 . 1 . . . . 97 Ser H . 25175 1 1213 . 1 1 96 96 SER HA H 1 4.115 0.05 . 1 . . . . 97 Ser HA . 25175 1 1214 . 1 1 96 96 SER HB2 H 1 4.013 0.05 . 2 . . . . 97 Ser HB2 . 25175 1 1215 . 1 1 96 96 SER HB3 H 1 3.829 0.05 . 2 . . . . 97 Ser HB3 . 25175 1 1216 . 1 1 96 96 SER C C 13 175.354 0.20 . 1 . . . . 97 Ser C . 25175 1 1217 . 1 1 96 96 SER CA C 13 60.391 0.20 . 1 . . . . 97 Ser CA . 25175 1 1218 . 1 1 96 96 SER CB C 13 62.455 0.20 . 1 . . . . 97 Ser CB . 25175 1 1219 . 1 1 96 96 SER N N 15 113.205 0.30 . 1 . . . . 97 Ser N . 25175 1 1220 . 1 1 97 97 ASP H H 1 8.145 0.05 . 1 . . . . 98 Asp H . 25175 1 1221 . 1 1 97 97 ASP HA H 1 4.924 0.05 . 1 . . . . 98 Asp HA . 25175 1 1222 . 1 1 97 97 ASP HB2 H 1 3.049 0.05 . 2 . . . . 98 Asp HB2 . 25175 1 1223 . 1 1 97 97 ASP HB3 H 1 2.781 0.05 . 2 . . . . 98 Asp HB3 . 25175 1 1224 . 1 1 97 97 ASP C C 13 176.103 0.20 . 1 . . . . 98 Asp C . 25175 1 1225 . 1 1 97 97 ASP CA C 13 55.004 0.20 . 1 . . . . 98 Asp CA . 25175 1 1226 . 1 1 97 97 ASP CB C 13 41.659 0.20 . 1 . . . . 98 Asp CB . 25175 1 1227 . 1 1 97 97 ASP N N 15 121.938 0.30 . 1 . . . . 98 Asp N . 25175 1 1228 . 1 1 98 98 LYS H H 1 7.597 0.05 . 1 . . . . 99 Lys H . 25175 1 1229 . 1 1 98 98 LYS HA H 1 3.784 0.05 . 1 . . . . 99 Lys HA . 25175 1 1230 . 1 1 98 98 LYS HB2 H 1 1.380 0.05 . 2 . . . . 99 Lys HB2 . 25175 1 1231 . 1 1 98 98 LYS HB3 H 1 1.491 0.05 . 2 . . . . 99 Lys HB3 . 25175 1 1232 . 1 1 98 98 LYS HG2 H 1 0.925 0.05 . 2 . . . . 99 Lys HG2 . 25175 1 1233 . 1 1 98 98 LYS HG3 H 1 0.675 0.05 . 2 . . . . 99 Lys HG3 . 25175 1 1234 . 1 1 98 98 LYS HD2 H 1 1.308 0.05 . 2 . . . . 99 Lys HD2 . 25175 1 1235 . 1 1 98 98 LYS HD3 H 1 1.258 0.05 . 2 . . . . 99 Lys HD3 . 25175 1 1236 . 1 1 98 98 LYS HE2 H 1 2.494 0.05 . 2 . . . . 99 Lys HE2 . 25175 1 1237 . 1 1 98 98 LYS HE3 H 1 2.498 0.05 . 2 . . . . 99 Lys HE3 . 25175 1 1238 . 1 1 98 98 LYS C C 13 177.419 0.20 . 1 . . . . 99 Lys C . 25175 1 1239 . 1 1 98 98 LYS CA C 13 58.796 0.20 . 1 . . . . 99 Lys CA . 25175 1 1240 . 1 1 98 98 LYS CB C 13 32.482 0.20 . 1 . . . . 99 Lys CB . 25175 1 1241 . 1 1 98 98 LYS CG C 13 24.916 0.20 . 1 . . . . 99 Lys CG . 25175 1 1242 . 1 1 98 98 LYS CD C 13 29.272 0.20 . 1 . . . . 99 Lys CD . 25175 1 1243 . 1 1 98 98 LYS CE C 13 41.857 0.20 . 1 . . . . 99 Lys CE . 25175 1 1244 . 1 1 98 98 LYS N N 15 120.892 0.30 . 1 . . . . 99 Lys N . 25175 1 1245 . 1 1 99 99 GLY H H 1 8.532 0.05 . 1 . . . . 100 Gly H . 25175 1 1246 . 1 1 99 99 GLY HA2 H 1 4.054 0.05 . 2 . . . . 100 Gly HA2 . 25175 1 1247 . 1 1 99 99 GLY HA3 H 1 3.663 0.05 . 2 . . . . 100 Gly HA3 . 25175 1 1248 . 1 1 99 99 GLY C C 13 174.687 0.20 . 1 . . . . 100 Gly C . 25175 1 1249 . 1 1 99 99 GLY CA C 13 46.021 0.20 . 1 . . . . 100 Gly CA . 25175 1 1250 . 1 1 99 99 GLY N N 15 109.727 0.30 . 1 . . . . 100 Gly N . 25175 1 1251 . 1 1 100 100 ALA H H 1 8.058 0.05 . 1 . . . . 101 Ala H . 25175 1 1252 . 1 1 100 100 ALA HA H 1 4.421 0.05 . 1 . . . . 101 Ala HA . 25175 1 1253 . 1 1 100 100 ALA HB1 H 1 1.496 0.05 . 1 . . . . 101 Ala HB1 . 25175 1 1254 . 1 1 100 100 ALA HB2 H 1 1.496 0.05 . 1 . . . . 101 Ala HB2 . 25175 1 1255 . 1 1 100 100 ALA HB3 H 1 1.496 0.05 . 1 . . . . 101 Ala HB3 . 25175 1 1256 . 1 1 100 100 ALA C C 13 177.696 0.20 . 1 . . . . 101 Ala C . 25175 1 1257 . 1 1 100 100 ALA CA C 13 53.118 0.20 . 1 . . . . 101 Ala CA . 25175 1 1258 . 1 1 100 100 ALA CB C 13 19.983 0.20 . 1 . . . . 101 Ala CB . 25175 1 1259 . 1 1 100 100 ALA N N 15 124.238 0.30 . 1 . . . . 101 Ala N . 25175 1 1260 . 1 1 101 101 VAL H H 1 7.746 0.05 . 1 . . . . 102 Val H . 25175 1 1261 . 1 1 101 101 VAL HA H 1 4.206 0.05 . 1 . . . . 102 Val HA . 25175 1 1262 . 1 1 101 101 VAL HB H 1 2.102 0.05 . 1 . . . . 102 Val HB . 25175 1 1263 . 1 1 101 101 VAL HG11 H 1 1.016 0.05 . 2 . . . . 102 Val HG11 . 25175 1 1264 . 1 1 101 101 VAL HG12 H 1 1.016 0.05 . 2 . . . . 102 Val HG12 . 25175 1 1265 . 1 1 101 101 VAL HG13 H 1 1.016 0.05 . 2 . . . . 102 Val HG13 . 25175 1 1266 . 1 1 101 101 VAL HG21 H 1 1.183 0.05 . 2 . . . . 102 Val HG21 . 25175 1 1267 . 1 1 101 101 VAL HG22 H 1 1.183 0.05 . 2 . . . . 102 Val HG22 . 25175 1 1268 . 1 1 101 101 VAL HG23 H 1 1.183 0.05 . 2 . . . . 102 Val HG23 . 25175 1 1269 . 1 1 101 101 VAL C C 13 174.697 0.20 . 1 . . . . 102 Val C . 25175 1 1270 . 1 1 101 101 VAL CA C 13 61.651 0.20 . 1 . . . . 102 Val CA . 25175 1 1271 . 1 1 101 101 VAL CB C 13 34.440 0.20 . 1 . . . . 102 Val CB . 25175 1 1272 . 1 1 101 101 VAL CG1 C 13 21.460 0.20 . 2 . . . . 102 Val CG1 . 25175 1 1273 . 1 1 101 101 VAL CG2 C 13 21.857 0.20 . 2 . . . . 102 Val CG2 . 25175 1 1274 . 1 1 101 101 VAL N N 15 118.527 0.30 . 1 . . . . 102 Val N . 25175 1 1275 . 1 1 102 102 LYS H H 1 8.513 0.05 . 1 . . . . 103 Lys H . 25175 1 1276 . 1 1 102 102 LYS HA H 1 4.247 0.05 . 1 . . . . 103 Lys HA . 25175 1 1277 . 1 1 102 102 LYS HB2 H 1 1.955 0.05 . 2 . . . . 103 Lys HB2 . 25175 1 1278 . 1 1 102 102 LYS HB3 H 1 1.861 0.05 . 2 . . . . 103 Lys HB3 . 25175 1 1279 . 1 1 102 102 LYS HG2 H 1 1.673 0.05 . 2 . . . . 103 Lys HG2 . 25175 1 1280 . 1 1 102 102 LYS HG3 H 1 1.598 0.05 . 2 . . . . 103 Lys HG3 . 25175 1 1281 . 1 1 102 102 LYS HD2 H 1 1.735 0.05 . 1 . . . . 103 Lys HD2 . 25175 1 1282 . 1 1 102 102 LYS HD3 H 1 1.735 0.05 . 1 . . . . 103 Lys HD3 . 25175 1 1283 . 1 1 102 102 LYS HE2 H 1 3.056 0.05 . 1 . . . . 103 Lys HE2 . 25175 1 1284 . 1 1 102 102 LYS HE3 H 1 3.056 0.05 . 1 . . . . 103 Lys HE3 . 25175 1 1285 . 1 1 102 102 LYS C C 13 176.386 0.20 . 1 . . . . 103 Lys C . 25175 1 1286 . 1 1 102 102 LYS CA C 13 56.556 0.20 . 1 . . . . 103 Lys CA . 25175 1 1287 . 1 1 102 102 LYS CB C 13 33.266 0.20 . 1 . . . . 103 Lys CB . 25175 1 1288 . 1 1 102 102 LYS CG C 13 25.034 0.20 . 1 . . . . 103 Lys CG . 25175 1 1289 . 1 1 102 102 LYS CD C 13 28.776 0.20 . 1 . . . . 103 Lys CD . 25175 1 1290 . 1 1 102 102 LYS CE C 13 42.174 0.20 . 1 . . . . 103 Lys CE . 25175 1 1291 . 1 1 102 102 LYS N N 15 125.684 0.30 . 1 . . . . 103 Lys N . 25175 1 1292 . 1 1 103 103 ALA H H 1 8.223 0.05 . 1 . . . . 104 Ala H . 25175 1 1293 . 1 1 103 103 ALA HA H 1 4.883 0.05 . 1 . . . . 104 Ala HA . 25175 1 1294 . 1 1 103 103 ALA HB1 H 1 1.554 0.05 . 1 . . . . 104 Ala HB1 . 25175 1 1295 . 1 1 103 103 ALA HB2 H 1 1.554 0.05 . 1 . . . . 104 Ala HB2 . 25175 1 1296 . 1 1 103 103 ALA HB3 H 1 1.554 0.05 . 1 . . . . 104 Ala HB3 . 25175 1 1297 . 1 1 103 103 ALA C C 13 176.689 0.20 . 1 . . . . 104 Ala C . 25175 1 1298 . 1 1 103 103 ALA CA C 13 51.572 0.20 . 1 . . . . 104 Ala CA . 25175 1 1299 . 1 1 103 103 ALA CB C 13 20.249 0.20 . 1 . . . . 104 Ala CB . 25175 1 1300 . 1 1 103 103 ALA N N 15 123.059 0.30 . 1 . . . . 104 Ala N . 25175 1 1301 . 1 1 104 104 LEU H H 1 7.950 0.05 . 1 . . . . 105 Leu H . 25175 1 1302 . 1 1 104 104 LEU HA H 1 3.699 0.05 . 1 . . . . 105 Leu HA . 25175 1 1303 . 1 1 104 104 LEU HB2 H 1 1.527 0.05 . 2 . . . . 105 Leu HB2 . 25175 1 1304 . 1 1 104 104 LEU HB3 H 1 1.236 0.05 . 2 . . . . 105 Leu HB3 . 25175 1 1305 . 1 1 104 104 LEU HG H 1 1.285 0.05 . 1 . . . . 105 Leu HG . 25175 1 1306 . 1 1 104 104 LEU HD11 H 1 0.363 0.05 . 2 . . . . 105 Leu HD11 . 25175 1 1307 . 1 1 104 104 LEU HD12 H 1 0.363 0.05 . 2 . . . . 105 Leu HD12 . 25175 1 1308 . 1 1 104 104 LEU HD13 H 1 0.363 0.05 . 2 . . . . 105 Leu HD13 . 25175 1 1309 . 1 1 104 104 LEU HD21 H 1 0.704 0.05 . 2 . . . . 105 Leu HD21 . 25175 1 1310 . 1 1 104 104 LEU HD22 H 1 0.704 0.05 . 2 . . . . 105 Leu HD22 . 25175 1 1311 . 1 1 104 104 LEU HD23 H 1 0.704 0.05 . 2 . . . . 105 Leu HD23 . 25175 1 1312 . 1 1 104 104 LEU C C 13 175.167 0.20 . 1 . . . . 105 Leu C . 25175 1 1313 . 1 1 104 104 LEU CA C 13 56.373 0.20 . 1 . . . . 105 Leu CA . 25175 1 1314 . 1 1 104 104 LEU CB C 13 43.439 0.20 . 1 . . . . 105 Leu CB . 25175 1 1315 . 1 1 104 104 LEU CG C 13 26.463 0.20 . 1 . . . . 105 Leu CG . 25175 1 1316 . 1 1 104 104 LEU CD1 C 13 22.579 0.20 . 2 . . . . 105 Leu CD1 . 25175 1 1317 . 1 1 104 104 LEU CD2 C 13 25.906 0.20 . 2 . . . . 105 Leu CD2 . 25175 1 1318 . 1 1 104 104 LEU N N 15 121.548 0.30 . 1 . . . . 105 Leu N . 25175 1 1319 . 1 1 105 105 ARG H H 1 8.133 0.05 . 1 . . . . 106 Arg H . 25175 1 1320 . 1 1 105 105 ARG HA H 1 4.729 0.05 . 1 . . . . 106 Arg HA . 25175 1 1321 . 1 1 105 105 ARG HB2 H 1 1.987 0.05 . 2 . . . . 106 Arg HB2 . 25175 1 1322 . 1 1 105 105 ARG HB3 H 1 1.908 0.05 . 2 . . . . 106 Arg HB3 . 25175 1 1323 . 1 1 105 105 ARG HG2 H 1 1.849 0.05 . 2 . . . . 106 Arg HG2 . 25175 1 1324 . 1 1 105 105 ARG HG3 H 1 1.707 0.05 . 2 . . . . 106 Arg HG3 . 25175 1 1325 . 1 1 105 105 ARG HD2 H 1 3.309 0.05 . 1 . . . . 106 Arg HD2 . 25175 1 1326 . 1 1 105 105 ARG HD3 H 1 3.309 0.05 . 1 . . . . 106 Arg HD3 . 25175 1 1327 . 1 1 105 105 ARG C C 13 177.324 0.20 . 1 . . . . 106 Arg C . 25175 1 1328 . 1 1 105 105 ARG CA C 13 54.733 0.20 . 1 . . . . 106 Arg CA . 25175 1 1329 . 1 1 105 105 ARG CB C 13 31.417 0.20 . 1 . . . . 106 Arg CB . 25175 1 1330 . 1 1 105 105 ARG CG C 13 27.871 0.20 . 1 . . . . 106 Arg CG . 25175 1 1331 . 1 1 105 105 ARG CD C 13 43.853 0.20 . 1 . . . . 106 Arg CD . 25175 1 1332 . 1 1 105 105 ARG N N 15 125.731 0.30 . 1 . . . . 106 Arg N . 25175 1 1333 . 1 1 106 106 LEU H H 1 8.776 0.05 . 1 . . . . 107 Leu H . 25175 1 1334 . 1 1 106 106 LEU HA H 1 4.025 0.05 . 1 . . . . 107 Leu HA . 25175 1 1335 . 1 1 106 106 LEU HB2 H 1 1.621 0.05 . 2 . . . . 107 Leu HB2 . 25175 1 1336 . 1 1 106 106 LEU HB3 H 1 1.438 0.05 . 2 . . . . 107 Leu HB3 . 25175 1 1337 . 1 1 106 106 LEU HG H 1 1.633 0.05 . 1 . . . . 107 Leu HG . 25175 1 1338 . 1 1 106 106 LEU HD11 H 1 0.460 0.05 . 2 . . . . 107 Leu HD11 . 25175 1 1339 . 1 1 106 106 LEU HD12 H 1 0.460 0.05 . 2 . . . . 107 Leu HD12 . 25175 1 1340 . 1 1 106 106 LEU HD13 H 1 0.460 0.05 . 2 . . . . 107 Leu HD13 . 25175 1 1341 . 1 1 106 106 LEU HD21 H 1 0.245 0.05 . 2 . . . . 107 Leu HD21 . 25175 1 1342 . 1 1 106 106 LEU HD22 H 1 0.245 0.05 . 2 . . . . 107 Leu HD22 . 25175 1 1343 . 1 1 106 106 LEU HD23 H 1 0.245 0.05 . 2 . . . . 107 Leu HD23 . 25175 1 1344 . 1 1 106 106 LEU C C 13 178.095 0.20 . 1 . . . . 107 Leu C . 25175 1 1345 . 1 1 106 106 LEU CA C 13 56.645 0.20 . 1 . . . . 107 Leu CA . 25175 1 1346 . 1 1 106 106 LEU CB C 13 41.681 0.20 . 1 . . . . 107 Leu CB . 25175 1 1347 . 1 1 106 106 LEU CG C 13 26.447 0.20 . 1 . . . . 107 Leu CG . 25175 1 1348 . 1 1 106 106 LEU CD1 C 13 25.244 0.20 . 2 . . . . 107 Leu CD1 . 25175 1 1349 . 1 1 106 106 LEU CD2 C 13 23.117 0.20 . 2 . . . . 107 Leu CD2 . 25175 1 1350 . 1 1 106 106 LEU N N 15 124.054 0.30 . 1 . . . . 107 Leu N . 25175 1 1351 . 1 1 107 107 GLN H H 1 8.240 0.05 . 1 . . . . 108 Gln H . 25175 1 1352 . 1 1 107 107 GLN HA H 1 4.151 0.05 . 1 . . . . 108 Gln HA . 25175 1 1353 . 1 1 107 107 GLN HB2 H 1 2.133 0.05 . 2 . . . . 108 Gln HB2 . 25175 1 1354 . 1 1 107 107 GLN HB3 H 1 1.989 0.05 . 2 . . . . 108 Gln HB3 . 25175 1 1355 . 1 1 107 107 GLN HG2 H 1 2.559 0.05 . 2 . . . . 108 Gln HG2 . 25175 1 1356 . 1 1 107 107 GLN HG3 H 1 2.377 0.05 . 2 . . . . 108 Gln HG3 . 25175 1 1357 . 1 1 107 107 GLN HE21 H 1 7.634 0.05 . 1 . . . . 108 Gln HE21 . 25175 1 1358 . 1 1 107 107 GLN HE22 H 1 7.106 0.05 . 1 . . . . 108 Gln HE22 . 25175 1 1359 . 1 1 107 107 GLN C C 13 175.448 0.20 . 1 . . . . 108 Gln C . 25175 1 1360 . 1 1 107 107 GLN CA C 13 58.126 0.20 . 1 . . . . 108 Gln CA . 25175 1 1361 . 1 1 107 107 GLN CB C 13 27.880 0.20 . 1 . . . . 108 Gln CB . 25175 1 1362 . 1 1 107 107 GLN CG C 13 34.576 0.20 . 1 . . . . 108 Gln CG . 25175 1 1363 . 1 1 107 107 GLN N N 15 114.492 0.30 . 1 . . . . 108 Gln N . 25175 1 1364 . 1 1 107 107 GLN NE2 N 15 112.432 0.30 . 1 . . . . 108 Gln NE2 . 25175 1 1365 . 1 1 108 108 ASN H H 1 7.281 0.05 . 1 . . . . 109 Asn H . 25175 1 1366 . 1 1 108 108 ASN HA H 1 4.401 0.05 . 1 . . . . 109 Asn HA . 25175 1 1367 . 1 1 108 108 ASN HB2 H 1 2.354 0.05 . 2 . . . . 109 Asn HB2 . 25175 1 1368 . 1 1 108 108 ASN HB3 H 1 1.755 0.05 . 2 . . . . 109 Asn HB3 . 25175 1 1369 . 1 1 108 108 ASN HD21 H 1 8.347 0.05 . 1 . . . . 109 Asn HD21 . 25175 1 1370 . 1 1 108 108 ASN HD22 H 1 6.787 0.05 . 1 . . . . 109 Asn HD22 . 25175 1 1371 . 1 1 108 108 ASN C C 13 174.417 0.20 . 1 . . . . 109 Asn C . 25175 1 1372 . 1 1 108 108 ASN CA C 13 54.349 0.20 . 1 . . . . 109 Asn CA . 25175 1 1373 . 1 1 108 108 ASN CB C 13 39.017 0.20 . 1 . . . . 109 Asn CB . 25175 1 1374 . 1 1 108 108 ASN N N 15 116.192 0.30 . 1 . . . . 109 Asn N . 25175 1 1375 . 1 1 108 108 ASN ND2 N 15 116.776 0.30 . 1 . . . . 109 Asn ND2 . 25175 1 1376 . 1 1 109 109 PHE H H 1 7.437 0.05 . 1 . . . . 110 Phe H . 25175 1 1377 . 1 1 109 109 PHE HA H 1 4.405 0.05 . 1 . . . . 110 Phe HA . 25175 1 1378 . 1 1 109 109 PHE HB2 H 1 2.719 0.05 . 2 . . . . 110 Phe HB2 . 25175 1 1379 . 1 1 109 109 PHE HB3 H 1 3.246 0.05 . 2 . . . . 110 Phe HB3 . 25175 1 1380 . 1 1 109 109 PHE HD1 H 1 7.277 0.05 . 3 . . . . 110 Phe HD1 . 25175 1 1381 . 1 1 109 109 PHE HD2 H 1 7.277 0.05 . 3 . . . . 110 Phe HD2 . 25175 1 1382 . 1 1 109 109 PHE HE1 H 1 7.076 0.05 . 3 . . . . 110 Phe HE1 . 25175 1 1383 . 1 1 109 109 PHE HE2 H 1 7.076 0.05 . 3 . . . . 110 Phe HE2 . 25175 1 1384 . 1 1 109 109 PHE HZ H 1 6.870 0.05 . 1 . . . . 110 Phe HZ . 25175 1 1385 . 1 1 109 109 PHE C C 13 179.941 0.20 . 1 . . . . 110 Phe C . 25175 1 1386 . 1 1 109 109 PHE CA C 13 60.002 0.20 . 1 . . . . 110 Phe CA . 25175 1 1387 . 1 1 109 109 PHE CB C 13 40.771 0.20 . 1 . . . . 110 Phe CB . 25175 1 1388 . 1 1 109 109 PHE CD1 C 13 131.943 0.20 . 3 . . . . 110 Phe CD1 . 25175 1 1389 . 1 1 109 109 PHE CD2 C 13 131.943 0.20 . 3 . . . . 110 Phe CD2 . 25175 1 1390 . 1 1 109 109 PHE CE1 C 13 130.608 0.20 . 3 . . . . 110 Phe CE1 . 25175 1 1391 . 1 1 109 109 PHE CE2 C 13 130.608 0.20 . 3 . . . . 110 Phe CE2 . 25175 1 1392 . 1 1 109 109 PHE CZ C 13 129.266 0.20 . 1 . . . . 110 Phe CZ . 25175 1 1393 . 1 1 109 109 PHE N N 15 124.168 0.30 . 1 . . . . 110 Phe N . 25175 1 stop_ save_