data_19614 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19614 _Entry.Title ; The basic-helix-loop-helix region of the transcriptional repressor HES-1 is preorganized to bind DNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-15 _Entry.Accession_date 2013-11-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _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 Hans Wienk . . . 19614 2 Matija Popovic . . . 19614 3 Maristella Coglievina . . . 19614 4 Rolf Boelens . . . 19614 5 Sandor Pongor . . . 19614 6 Alessandro Pintar . . . 19614 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' . 19614 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID bHLH . 19614 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19614 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 604 19614 '15N chemical shifts' 142 19614 '1H chemical shifts' 976 19614 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 . . 2014-04-23 2013-11-15 update BMRB 'update entry citation' 19614 1 . . 2014-02-03 2013-11-15 original author 'original release' 19614 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2mh3 'BMRB Entry Tracking System' 19614 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19614 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24403087 _Citation.Full_citation . _Citation.Title 'The basic helix-loop-helix region of the transcriptional repressor hairy and enhancer of split 1 is preorganized to bind DNA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 82 _Citation.Journal_issue 4 _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 537 _Citation.Page_last 545 _Citation.Year 2014 _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 Matija Popovic . . . 19614 1 2 Hans Wienk . . . 19614 1 3 Maristella Coglievina . . . 19614 1 4 Rolf Boelens . . . 19614 1 5 Sandor Pongor . . . 19614 1 6 Alessandro Pintar . . . 19614 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19614 _Assembly.ID 1 _Assembly.Name 'basic-helix-loop-helix region of the transcriptional repressor HES-1' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 HES-1_1 1 $entity A . yes native no no . . . 19614 1 2 HES-1_2 1 $entity B . yes native no no . . . 19614 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19614 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKPKTASEHRKSSKPIMEKR RRARINESLSQLKTLILDAL KKDSSRHSKLEKADILEMTV KHLRNLQRAQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8227.798 _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 PDB 2MH3 . "Nmr Structure Of The Basic Helix-loop-helix Region Of The Transcriptional Repressor Hes-1" . . . . . 100.00 70 100.00 100.00 3.45e-39 . . . . 19614 1 2 no DBJ BAA02682 . "HES-1 factor [Rattus norvegicus]" . . . . . 98.57 281 100.00 100.00 2.00e-35 . . . . 19614 1 3 no DBJ BAA03931 . "helix-loop-helix factor HES-1 [Mus musculus]" . . . . . 98.57 282 100.00 100.00 3.86e-35 . . . . 19614 1 4 no DBJ BAA91149 . "unnamed protein product [Homo sapiens]" . . . . . 98.57 280 100.00 100.00 5.86e-36 . . . . 19614 1 5 no DBJ BAE21226 . "unnamed protein product [Mus musculus]" . . . . . 98.57 282 100.00 100.00 5.09e-35 . . . . 19614 1 6 no DBJ BAE21713 . "unnamed protein product [Mus musculus]" . . . . . 98.57 282 100.00 100.00 3.86e-35 . . . . 19614 1 7 no EMBL CAA65998 . "HER-6 protein [Danio rerio]" . . . . . 98.57 334 97.10 98.55 2.14e-36 . . . . 19614 1 8 no EMBL CAG08099 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 98.57 277 98.55 98.55 7.05e-34 . . . . 19614 1 9 no EMBL CAG46641 . "HES1 [Homo sapiens]" . . . . . 98.57 280 100.00 100.00 5.86e-36 . . . . 19614 1 10 no EMBL CAJ82991 . "Helix-loop-helix DNA-binding domain protein with Hairy Orange domain, similar to hes1 [Xenopus (Silurana) tropicalis]" . . . . . 98.57 267 97.10 97.10 6.90e-37 . . . . 19614 1 11 no EMBL CDQ79517 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 98.57 270 98.55 98.55 1.56e-37 . . . . 19614 1 12 no GB AAA41307 . "hairy [Rattus norvegicus]" . . . . . 98.57 281 97.10 97.10 2.86e-34 . . . . 19614 1 13 no GB AAA65220 . "also called HHL [Homo sapiens]" . . . . . 98.57 280 100.00 100.00 5.86e-36 . . . . 19614 1 14 no GB AAA79185 . "hairy1 [Xenopus laevis]" . . . . . 98.57 266 97.10 97.10 1.87e-33 . . . . 19614 1 15 no GB AAF73060 . "hairy [Homo sapiens]" . . . . . 98.57 280 100.00 100.00 5.86e-36 . . . . 19614 1 16 no GB AAH18375 . "Hairy and enhancer of split 1 (Drosophila) [Mus musculus]" . . . . . 98.57 282 100.00 100.00 3.86e-35 . . . . 19614 1 17 no PRF 1905315A . "HES-1 protein" . . . . . 98.57 281 100.00 100.00 2.00e-35 . . . . 19614 1 18 no REF NP_001011194 . "transcription factor HES-1 [Xenopus (Silurana) tropicalis]" . . . . . 98.57 267 97.10 97.10 6.90e-37 . . . . 19614 1 19 no REF NP_001029850 . "transcription factor HES-1 [Bos taurus]" . . . . . 98.57 280 100.00 100.00 3.79e-36 . . . . 19614 1 20 no REF NP_001079386 . "transcription factor HES-1-B [Xenopus laevis]" . . . . . 98.57 267 97.10 97.10 6.97e-37 . . . . 19614 1 21 no REF NP_001081396 . "transcription factor HES-1-A [Xenopus laevis]" . . . . . 98.57 267 97.10 97.10 2.12e-33 . . . . 19614 1 22 no REF NP_001098313 . "transcription factor HES-1 [Oryzias latipes]" . . . . . 98.57 277 98.55 98.55 2.06e-37 . . . . 19614 1 23 no SP P35428 . "RecName: Full=Transcription factor HES-1; AltName: Full=Hairy and enhancer of split 1" . . . . . 98.57 282 100.00 100.00 3.86e-35 . . . . 19614 1 24 no SP Q04666 . "RecName: Full=Transcription factor HES-1; AltName: Full=Hairy and enhancer of split 1; AltName: Full=Hairy-like protein; AltNam" . . . . . 98.57 281 100.00 100.00 2.00e-35 . . . . 19614 1 25 no SP Q14469 . "RecName: Full=Transcription factor HES-1; AltName: Full=Class B basic helix-loop-helix protein 39; Short=bHLHb39; AltName: Full" . . . . . 98.57 280 100.00 100.00 5.86e-36 . . . . 19614 1 26 no SP Q3ZBG4 . "RecName: Full=Transcription factor HES-1; AltName: Full=Hairy and enhancer of split 1" . . . . . 98.57 280 100.00 100.00 3.79e-36 . . . . 19614 1 27 no SP Q5PPM5 . "RecName: Full=Transcription factor HES-1; AltName: Full=Hairy and enhancer of split 1; AltName: Full=Protein hairy-1" . . . . . 98.57 267 97.10 97.10 6.90e-37 . . . . 19614 1 28 no TPG DAA33369 . "TPA: transcription factor HES-1 [Bos taurus]" . . . . . 98.57 280 100.00 100.00 3.79e-36 . . . . 19614 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 26 MET . 19614 1 2 27 LYS . 19614 1 3 28 PRO . 19614 1 4 29 LYS . 19614 1 5 30 THR . 19614 1 6 31 ALA . 19614 1 7 32 SER . 19614 1 8 33 GLU . 19614 1 9 34 HIS . 19614 1 10 35 ARG . 19614 1 11 36 LYS . 19614 1 12 37 SER . 19614 1 13 38 SER . 19614 1 14 39 LYS . 19614 1 15 40 PRO . 19614 1 16 41 ILE . 19614 1 17 42 MET . 19614 1 18 43 GLU . 19614 1 19 44 LYS . 19614 1 20 45 ARG . 19614 1 21 46 ARG . 19614 1 22 47 ARG . 19614 1 23 48 ALA . 19614 1 24 49 ARG . 19614 1 25 50 ILE . 19614 1 26 51 ASN . 19614 1 27 52 GLU . 19614 1 28 53 SER . 19614 1 29 54 LEU . 19614 1 30 55 SER . 19614 1 31 56 GLN . 19614 1 32 57 LEU . 19614 1 33 58 LYS . 19614 1 34 59 THR . 19614 1 35 60 LEU . 19614 1 36 61 ILE . 19614 1 37 62 LEU . 19614 1 38 63 ASP . 19614 1 39 64 ALA . 19614 1 40 65 LEU . 19614 1 41 66 LYS . 19614 1 42 67 LYS . 19614 1 43 68 ASP . 19614 1 44 69 SER . 19614 1 45 70 SER . 19614 1 46 71 ARG . 19614 1 47 72 HIS . 19614 1 48 73 SER . 19614 1 49 74 LYS . 19614 1 50 75 LEU . 19614 1 51 76 GLU . 19614 1 52 77 LYS . 19614 1 53 78 ALA . 19614 1 54 79 ASP . 19614 1 55 80 ILE . 19614 1 56 81 LEU . 19614 1 57 82 GLU . 19614 1 58 83 MET . 19614 1 59 84 THR . 19614 1 60 85 VAL . 19614 1 61 86 LYS . 19614 1 62 87 HIS . 19614 1 63 88 LEU . 19614 1 64 89 ARG . 19614 1 65 90 ASN . 19614 1 66 91 LEU . 19614 1 67 92 GLN . 19614 1 68 93 ARG . 19614 1 69 94 ALA . 19614 1 70 95 GLN . 19614 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19614 1 . LYS 2 2 19614 1 . PRO 3 3 19614 1 . LYS 4 4 19614 1 . THR 5 5 19614 1 . ALA 6 6 19614 1 . SER 7 7 19614 1 . GLU 8 8 19614 1 . HIS 9 9 19614 1 . ARG 10 10 19614 1 . LYS 11 11 19614 1 . SER 12 12 19614 1 . SER 13 13 19614 1 . LYS 14 14 19614 1 . PRO 15 15 19614 1 . ILE 16 16 19614 1 . MET 17 17 19614 1 . GLU 18 18 19614 1 . LYS 19 19 19614 1 . ARG 20 20 19614 1 . ARG 21 21 19614 1 . ARG 22 22 19614 1 . ALA 23 23 19614 1 . ARG 24 24 19614 1 . ILE 25 25 19614 1 . ASN 26 26 19614 1 . GLU 27 27 19614 1 . SER 28 28 19614 1 . LEU 29 29 19614 1 . SER 30 30 19614 1 . GLN 31 31 19614 1 . LEU 32 32 19614 1 . LYS 33 33 19614 1 . THR 34 34 19614 1 . LEU 35 35 19614 1 . ILE 36 36 19614 1 . LEU 37 37 19614 1 . ASP 38 38 19614 1 . ALA 39 39 19614 1 . LEU 40 40 19614 1 . LYS 41 41 19614 1 . LYS 42 42 19614 1 . ASP 43 43 19614 1 . SER 44 44 19614 1 . SER 45 45 19614 1 . ARG 46 46 19614 1 . HIS 47 47 19614 1 . SER 48 48 19614 1 . LYS 49 49 19614 1 . LEU 50 50 19614 1 . GLU 51 51 19614 1 . LYS 52 52 19614 1 . ALA 53 53 19614 1 . ASP 54 54 19614 1 . ILE 55 55 19614 1 . LEU 56 56 19614 1 . GLU 57 57 19614 1 . MET 58 58 19614 1 . THR 59 59 19614 1 . VAL 60 60 19614 1 . LYS 61 61 19614 1 . HIS 62 62 19614 1 . LEU 63 63 19614 1 . ARG 64 64 19614 1 . ASN 65 65 19614 1 . LEU 66 66 19614 1 . GLN 67 67 19614 1 . ARG 68 68 19614 1 . ALA 69 69 19614 1 . GLN 70 70 19614 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 19614 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19614 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 19614 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . plasmid . . . . . . 19614 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19614 _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 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 2 . . mM . . . . 19614 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19614 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19614 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19614 1 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 19614 _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' 50 . mM 19614 1 pH 6.5 . pH 19614 1 pressure 1 . atm 19614 1 temperature 288 . K 19614 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN_ANALYSIS _Software.Sf_category software _Software.Sf_framecode CCPN_ANALYSIS _Software.Entry_ID 19614 _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 . . 19614 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19614 1 stop_ save_ save_CS-Rosetta _Software.Sf_category software _Software.Sf_framecode CS-Rosetta _Software.Entry_ID 19614 _Software.ID 2 _Software.Name CS-Rosetta _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 19614 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure model' 19614 2 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 19614 _Software.ID 3 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19614 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19614 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19614 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19614 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19614 4 stop_ save_ save_CING _Software.Sf_category software _Software.Sf_framecode CING _Software.Entry_ID 19614 _Software.ID 5 _Software.Name CING _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Vuister et al' . . 19614 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 19614 5 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19614 _Software.ID 6 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19614 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19614 6 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 19614 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryoprobe' _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 19614 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with cryoprobe' _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 19614 _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 'with cryoprobe' . . 19614 1 2 spectrometer_2 Bruker Avance . 900 'with cryoprobe' . . 19614 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 19614 _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 'triple resonance assignment' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19614 1 2 relaxation no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19614 1 3 'DNA titration' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19614 1 4 NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19614 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 19614 _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 . . . . . . . . . 19614 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19614 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19614 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 19614 _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 'triple resonance assignment' 1 $sample_1 . 19614 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.044 0.006 . . . . . A 26 MET HA . 19614 1 2 . 1 1 1 1 MET HB2 H 1 2.097 0.004 . . . . . A 26 MET HB2 . 19614 1 3 . 1 1 1 1 MET HB3 H 1 2.097 0.004 . . . . . A 26 MET HB3 . 19614 1 4 . 1 1 1 1 MET HG2 H 1 2.561 0.007 . . . . . A 26 MET HG2 . 19614 1 5 . 1 1 1 1 MET HG3 H 1 2.561 0.007 . . . . . A 26 MET HG3 . 19614 1 6 . 1 1 1 1 MET CA C 13 54.863 0.121 . . . . . A 26 MET CA . 19614 1 7 . 1 1 1 1 MET CB C 13 33.161 0.075 . . . . . A 26 MET CB . 19614 1 8 . 1 1 1 1 MET CG C 13 30.760 0.047 . . . . . A 26 MET CG . 19614 1 9 . 1 1 2 2 LYS HA H 1 4.626 0.006 . . . . . A 27 LYS HA . 19614 1 10 . 1 1 2 2 LYS HB2 H 1 1.726 0.003 . . . . . A 27 LYS HB2 . 19614 1 11 . 1 1 2 2 LYS HB3 H 1 1.798 0.006 . . . . . A 27 LYS HB3 . 19614 1 12 . 1 1 2 2 LYS HG2 H 1 1.471 0.006 . . . . . A 27 LYS HG2 . 19614 1 13 . 1 1 2 2 LYS HG3 H 1 1.471 0.006 . . . . . A 27 LYS HG3 . 19614 1 14 . 1 1 2 2 LYS HD2 H 1 1.675 0.006 . . . . . A 27 LYS HD2 . 19614 1 15 . 1 1 2 2 LYS HD3 H 1 1.675 0.006 . . . . . A 27 LYS HD3 . 19614 1 16 . 1 1 2 2 LYS HE2 H 1 2.967 0.004 . . . . . A 27 LYS HE2 . 19614 1 17 . 1 1 2 2 LYS HE3 H 1 2.967 0.004 . . . . . A 27 LYS HE3 . 19614 1 18 . 1 1 2 2 LYS CA C 13 54.410 0.043 . . . . . A 27 LYS CA . 19614 1 19 . 1 1 2 2 LYS CB C 13 32.346 0.068 . . . . . A 27 LYS CB . 19614 1 20 . 1 1 2 2 LYS CG C 13 24.615 0.059 . . . . . A 27 LYS CG . 19614 1 21 . 1 1 2 2 LYS CD C 13 29.107 0.000 . . . . . A 27 LYS CD . 19614 1 22 . 1 1 2 2 LYS CE C 13 41.755 0.020 . . . . . A 27 LYS CE . 19614 1 23 . 1 1 3 3 PRO HA H 1 4.402 0.006 . . . . . A 28 PRO HA . 19614 1 24 . 1 1 3 3 PRO HB2 H 1 2.283 0.009 . . . . . A 28 PRO HB2 . 19614 1 25 . 1 1 3 3 PRO HB3 H 1 1.859 0.005 . . . . . A 28 PRO HB3 . 19614 1 26 . 1 1 3 3 PRO HG2 H 1 2.000 0.004 . . . . . A 28 PRO HG2 . 19614 1 27 . 1 1 3 3 PRO HG3 H 1 2.000 0.004 . . . . . A 28 PRO HG3 . 19614 1 28 . 1 1 3 3 PRO HD2 H 1 3.628 0.005 . . . . . A 28 PRO HD2 . 19614 1 29 . 1 1 3 3 PRO HD3 H 1 3.852 0.006 . . . . . A 28 PRO HD3 . 19614 1 30 . 1 1 3 3 PRO C C 13 176.815 0.009 . . . . . A 28 PRO C . 19614 1 31 . 1 1 3 3 PRO CA C 13 62.876 0.057 . . . . . A 28 PRO CA . 19614 1 32 . 1 1 3 3 PRO CB C 13 32.162 0.077 . . . . . A 28 PRO CB . 19614 1 33 . 1 1 3 3 PRO CG C 13 27.426 0.069 . . . . . A 28 PRO CG . 19614 1 34 . 1 1 3 3 PRO CD C 13 50.721 0.034 . . . . . A 28 PRO CD . 19614 1 35 . 1 1 4 4 LYS H H 1 8.586 0.005 . . . . . A 29 LYS H . 19614 1 36 . 1 1 4 4 LYS HA H 1 4.297 0.006 . . . . . A 29 LYS HA . 19614 1 37 . 1 1 4 4 LYS HB2 H 1 1.741 0.006 . . . . . A 29 LYS HB2 . 19614 1 38 . 1 1 4 4 LYS HB3 H 1 1.797 0.009 . . . . . A 29 LYS HB3 . 19614 1 39 . 1 1 4 4 LYS HG2 H 1 1.415 0.005 . . . . . A 29 LYS HG2 . 19614 1 40 . 1 1 4 4 LYS HG3 H 1 1.475 0.005 . . . . . A 29 LYS HG3 . 19614 1 41 . 1 1 4 4 LYS HD2 H 1 1.665 0.005 . . . . . A 29 LYS HD2 . 19614 1 42 . 1 1 4 4 LYS HD3 H 1 1.665 0.005 . . . . . A 29 LYS HD3 . 19614 1 43 . 1 1 4 4 LYS HE2 H 1 2.962 0.004 . . . . . A 29 LYS HE2 . 19614 1 44 . 1 1 4 4 LYS HE3 H 1 2.962 0.004 . . . . . A 29 LYS HE3 . 19614 1 45 . 1 1 4 4 LYS C C 13 176.961 0.033 . . . . . A 29 LYS C . 19614 1 46 . 1 1 4 4 LYS CA C 13 56.463 0.048 . . . . . A 29 LYS CA . 19614 1 47 . 1 1 4 4 LYS CB C 13 32.816 0.112 . . . . . A 29 LYS CB . 19614 1 48 . 1 1 4 4 LYS CG C 13 24.816 0.069 . . . . . A 29 LYS CG . 19614 1 49 . 1 1 4 4 LYS CD C 13 29.035 0.047 . . . . . A 29 LYS CD . 19614 1 50 . 1 1 4 4 LYS CE C 13 41.807 0.096 . . . . . A 29 LYS CE . 19614 1 51 . 1 1 4 4 LYS N N 15 122.449 0.016 . . . . . A 29 LYS N . 19614 1 52 . 1 1 5 5 THR H H 1 8.219 0.007 . . . . . A 30 THR H . 19614 1 53 . 1 1 5 5 THR HA H 1 4.293 0.004 . . . . . A 30 THR HA . 19614 1 54 . 1 1 5 5 THR HB H 1 4.202 0.011 . . . . . A 30 THR HB . 19614 1 55 . 1 1 5 5 THR HG21 H 1 1.190 0.004 . . . . . A 30 THR HG21 . 19614 1 56 . 1 1 5 5 THR HG22 H 1 1.190 0.004 . . . . . A 30 THR HG22 . 19614 1 57 . 1 1 5 5 THR HG23 H 1 1.190 0.004 . . . . . A 30 THR HG23 . 19614 1 58 . 1 1 5 5 THR C C 13 174.354 0.003 . . . . . A 30 THR C . 19614 1 59 . 1 1 5 5 THR CA C 13 61.555 0.093 . . . . . A 30 THR CA . 19614 1 60 . 1 1 5 5 THR CB C 13 69.949 0.102 . . . . . A 30 THR CB . 19614 1 61 . 1 1 5 5 THR CG2 C 13 21.663 0.088 . . . . . A 30 THR CG2 . 19614 1 62 . 1 1 5 5 THR N N 15 115.695 0.016 . . . . . A 30 THR N . 19614 1 63 . 1 1 6 6 ALA H H 1 8.505 0.003 . . . . . A 31 ALA H . 19614 1 64 . 1 1 6 6 ALA HA H 1 4.312 0.005 . . . . . A 31 ALA HA . 19614 1 65 . 1 1 6 6 ALA HB1 H 1 1.388 0.005 . . . . . A 31 ALA HB1 . 19614 1 66 . 1 1 6 6 ALA HB2 H 1 1.388 0.005 . . . . . A 31 ALA HB2 . 19614 1 67 . 1 1 6 6 ALA HB3 H 1 1.388 0.005 . . . . . A 31 ALA HB3 . 19614 1 68 . 1 1 6 6 ALA C C 13 178.014 0.016 . . . . . A 31 ALA C . 19614 1 69 . 1 1 6 6 ALA CA C 13 52.781 0.151 . . . . . A 31 ALA CA . 19614 1 70 . 1 1 6 6 ALA CB C 13 19.125 0.137 . . . . . A 31 ALA CB . 19614 1 71 . 1 1 6 6 ALA N N 15 125.923 3.266 . . . . . A 31 ALA N . 19614 1 72 . 1 1 7 7 SER H H 1 8.365 0.003 . . . . . A 32 SER H . 19614 1 73 . 1 1 7 7 SER HA H 1 4.338 0.004 . . . . . A 32 SER HA . 19614 1 74 . 1 1 7 7 SER HB2 H 1 3.796 0.002 . . . . . A 32 SER HB2 . 19614 1 75 . 1 1 7 7 SER HB3 H 1 3.829 0.008 . . . . . A 32 SER HB3 . 19614 1 76 . 1 1 7 7 SER C C 13 174.783 0.005 . . . . . A 32 SER C . 19614 1 77 . 1 1 7 7 SER CA C 13 58.633 0.079 . . . . . A 32 SER CA . 19614 1 78 . 1 1 7 7 SER CB C 13 63.475 0.087 . . . . . A 32 SER CB . 19614 1 79 . 1 1 7 7 SER N N 15 115.249 0.019 . . . . . A 32 SER N . 19614 1 80 . 1 1 8 8 GLU H H 1 8.390 0.006 . . . . . A 33 GLU H . 19614 1 81 . 1 1 8 8 GLU HA H 1 4.205 0.004 . . . . . A 33 GLU HA . 19614 1 82 . 1 1 8 8 GLU HB2 H 1 1.891 0.009 . . . . . A 33 GLU HB2 . 19614 1 83 . 1 1 8 8 GLU HB3 H 1 1.950 0.004 . . . . . A 33 GLU HB3 . 19614 1 84 . 1 1 8 8 GLU HG2 H 1 2.136 0.006 . . . . . A 33 GLU HG2 . 19614 1 85 . 1 1 8 8 GLU HG3 H 1 2.192 0.004 . . . . . A 33 GLU HG3 . 19614 1 86 . 1 1 8 8 GLU C C 13 176.411 0.014 . . . . . A 33 GLU C . 19614 1 87 . 1 1 8 8 GLU CA C 13 56.678 0.044 . . . . . A 33 GLU CA . 19614 1 88 . 1 1 8 8 GLU CB C 13 30.241 0.093 . . . . . A 33 GLU CB . 19614 1 89 . 1 1 8 8 GLU CG C 13 36.172 0.043 . . . . . A 33 GLU CG . 19614 1 90 . 1 1 8 8 GLU N N 15 122.748 0.034 . . . . . A 33 GLU N . 19614 1 91 . 1 1 9 9 HIS H H 1 8.431 0.005 . . . . . A 34 HIS H . 19614 1 92 . 1 1 9 9 HIS HA H 1 4.605 0.011 . . . . . A 34 HIS HA . 19614 1 93 . 1 1 9 9 HIS HB2 H 1 3.072 0.006 . . . . . A 34 HIS HB2 . 19614 1 94 . 1 1 9 9 HIS HB3 H 1 3.160 0.004 . . . . . A 34 HIS HB3 . 19614 1 95 . 1 1 9 9 HIS C C 13 175.167 0.003 . . . . . A 34 HIS C . 19614 1 96 . 1 1 9 9 HIS CA C 13 56.035 0.082 . . . . . A 34 HIS CA . 19614 1 97 . 1 1 9 9 HIS CB C 13 29.938 0.072 . . . . . A 34 HIS CB . 19614 1 98 . 1 1 9 9 HIS N N 15 120.453 0.020 . . . . . A 34 HIS N . 19614 1 99 . 1 1 10 10 ARG H H 1 8.419 0.005 . . . . . A 35 ARG H . 19614 1 100 . 1 1 10 10 ARG HA H 1 4.261 0.005 . . . . . A 35 ARG HA . 19614 1 101 . 1 1 10 10 ARG HB2 H 1 1.747 0.006 . . . . . A 35 ARG HB2 . 19614 1 102 . 1 1 10 10 ARG HB3 H 1 1.817 0.005 . . . . . A 35 ARG HB3 . 19614 1 103 . 1 1 10 10 ARG HG2 H 1 1.583 0.006 . . . . . A 35 ARG HG2 . 19614 1 104 . 1 1 10 10 ARG HG3 H 1 1.680 0.007 . . . . . A 35 ARG HG3 . 19614 1 105 . 1 1 10 10 ARG HD2 H 1 3.166 0.007 . . . . . A 35 ARG HD2 . 19614 1 106 . 1 1 10 10 ARG HD3 H 1 3.166 0.007 . . . . . A 35 ARG HD3 . 19614 1 107 . 1 1 10 10 ARG C C 13 176.411 0.013 . . . . . A 35 ARG C . 19614 1 108 . 1 1 10 10 ARG CA C 13 56.306 0.069 . . . . . A 35 ARG CA . 19614 1 109 . 1 1 10 10 ARG CB C 13 30.587 0.082 . . . . . A 35 ARG CB . 19614 1 110 . 1 1 10 10 ARG CG C 13 27.105 0.117 . . . . . A 35 ARG CG . 19614 1 111 . 1 1 10 10 ARG CD C 13 43.170 0.066 . . . . . A 35 ARG CD . 19614 1 112 . 1 1 10 10 ARG N N 15 122.797 0.024 . . . . . A 35 ARG N . 19614 1 113 . 1 1 11 11 LYS H H 1 8.482 0.003 . . . . . A 36 LYS H . 19614 1 114 . 1 1 11 11 LYS HA H 1 4.288 0.008 . . . . . A 36 LYS HA . 19614 1 115 . 1 1 11 11 LYS HB2 H 1 1.788 0.014 . . . . . A 36 LYS HB2 . 19614 1 116 . 1 1 11 11 LYS HB3 H 1 1.788 0.014 . . . . . A 36 LYS HB3 . 19614 1 117 . 1 1 11 11 LYS HG2 H 1 1.456 0.015 . . . . . A 36 LYS HG2 . 19614 1 118 . 1 1 11 11 LYS HG3 H 1 1.456 0.015 . . . . . A 36 LYS HG3 . 19614 1 119 . 1 1 11 11 LYS HD2 H 1 1.672 0.006 . . . . . A 36 LYS HD2 . 19614 1 120 . 1 1 11 11 LYS HD3 H 1 1.672 0.006 . . . . . A 36 LYS HD3 . 19614 1 121 . 1 1 11 11 LYS HE2 H 1 2.967 0.005 . . . . . A 36 LYS HE2 . 19614 1 122 . 1 1 11 11 LYS HE3 H 1 2.967 0.005 . . . . . A 36 LYS HE3 . 19614 1 123 . 1 1 11 11 LYS C C 13 176.738 0.012 . . . . . A 36 LYS C . 19614 1 124 . 1 1 11 11 LYS CA C 13 56.514 0.060 . . . . . A 36 LYS CA . 19614 1 125 . 1 1 11 11 LYS CB C 13 32.857 0.076 . . . . . A 36 LYS CB . 19614 1 126 . 1 1 11 11 LYS CG C 13 24.785 0.060 . . . . . A 36 LYS CG . 19614 1 127 . 1 1 11 11 LYS CD C 13 29.036 0.028 . . . . . A 36 LYS CD . 19614 1 128 . 1 1 11 11 LYS CE C 13 41.982 0.153 . . . . . A 36 LYS CE . 19614 1 129 . 1 1 11 11 LYS N N 15 122.974 0.029 . . . . . A 36 LYS N . 19614 1 130 . 1 1 12 12 SER H H 1 8.410 0.007 . . . . . A 37 SER H . 19614 1 131 . 1 1 12 12 SER HA H 1 4.469 0.005 . . . . . A 37 SER HA . 19614 1 132 . 1 1 12 12 SER HB2 H 1 3.820 0.005 . . . . . A 37 SER HB2 . 19614 1 133 . 1 1 12 12 SER HB3 H 1 3.878 0.002 . . . . . A 37 SER HB3 . 19614 1 134 . 1 1 12 12 SER C C 13 174.495 0.002 . . . . . A 37 SER C . 19614 1 135 . 1 1 12 12 SER CA C 13 58.115 0.078 . . . . . A 37 SER CA . 19614 1 136 . 1 1 12 12 SER CB C 13 63.627 0.212 . . . . . A 37 SER CB . 19614 1 137 . 1 1 12 12 SER N N 15 117.137 0.021 . . . . . A 37 SER N . 19614 1 138 . 1 1 13 13 SER H H 1 8.456 0.006 . . . . . A 38 SER H . 19614 1 139 . 1 1 13 13 SER HA H 1 4.467 0.007 . . . . . A 38 SER HA . 19614 1 140 . 1 1 13 13 SER HB2 H 1 3.875 0.007 . . . . . A 38 SER HB2 . 19614 1 141 . 1 1 13 13 SER HB3 H 1 3.875 0.007 . . . . . A 38 SER HB3 . 19614 1 142 . 1 1 13 13 SER C C 13 174.332 0.015 . . . . . A 38 SER C . 19614 1 143 . 1 1 13 13 SER CA C 13 58.187 0.068 . . . . . A 38 SER CA . 19614 1 144 . 1 1 13 13 SER CB C 13 63.703 0.111 . . . . . A 38 SER CB . 19614 1 145 . 1 1 13 13 SER N N 15 118.622 0.019 . . . . . A 38 SER N . 19614 1 146 . 1 1 14 14 LYS H H 1 8.489 0.003 . . . . . A 39 LYS H . 19614 1 147 . 1 1 14 14 LYS HA H 1 4.478 0.005 . . . . . A 39 LYS HA . 19614 1 148 . 1 1 14 14 LYS HB2 H 1 1.775 0.010 . . . . . A 39 LYS HB2 . 19614 1 149 . 1 1 14 14 LYS HB3 H 1 1.841 0.006 . . . . . A 39 LYS HB3 . 19614 1 150 . 1 1 14 14 LYS HG2 H 1 1.415 0.006 . . . . . A 39 LYS HG2 . 19614 1 151 . 1 1 14 14 LYS HG3 H 1 1.511 0.001 . . . . . A 39 LYS HG3 . 19614 1 152 . 1 1 14 14 LYS HD2 H 1 1.680 0.005 . . . . . A 39 LYS HD2 . 19614 1 153 . 1 1 14 14 LYS HD3 H 1 1.680 0.005 . . . . . A 39 LYS HD3 . 19614 1 154 . 1 1 14 14 LYS HE2 H 1 2.968 0.001 . . . . . A 39 LYS HE2 . 19614 1 155 . 1 1 14 14 LYS HE3 H 1 2.968 0.001 . . . . . A 39 LYS HE3 . 19614 1 156 . 1 1 14 14 LYS C C 13 174.904 0.000 . . . . . A 39 LYS C . 19614 1 157 . 1 1 14 14 LYS CA C 13 56.707 0.048 . . . . . A 39 LYS CA . 19614 1 158 . 1 1 14 14 LYS CB C 13 31.595 0.036 . . . . . A 39 LYS CB . 19614 1 159 . 1 1 14 14 LYS CG C 13 24.923 0.050 . . . . . A 39 LYS CG . 19614 1 160 . 1 1 14 14 LYS CD C 13 29.083 0.000 . . . . . A 39 LYS CD . 19614 1 161 . 1 1 14 14 LYS CE C 13 41.815 0.003 . . . . . A 39 LYS CE . 19614 1 162 . 1 1 14 14 LYS N N 15 124.176 0.025 . . . . . A 39 LYS N . 19614 1 163 . 1 1 15 15 PRO HA H 1 4.401 0.008 . . . . . A 40 PRO HA . 19614 1 164 . 1 1 15 15 PRO HB2 H 1 2.302 0.009 . . . . . A 40 PRO HB2 . 19614 1 165 . 1 1 15 15 PRO HB3 H 1 1.849 0.017 . . . . . A 40 PRO HB3 . 19614 1 166 . 1 1 15 15 PRO HG2 H 1 1.999 0.006 . . . . . A 40 PRO HG2 . 19614 1 167 . 1 1 15 15 PRO HG3 H 1 2.048 0.006 . . . . . A 40 PRO HG3 . 19614 1 168 . 1 1 15 15 PRO HD2 H 1 3.693 0.009 . . . . . A 40 PRO HD2 . 19614 1 169 . 1 1 15 15 PRO HD3 H 1 3.795 0.005 . . . . . A 40 PRO HD3 . 19614 1 170 . 1 1 15 15 PRO C C 13 178.173 0.037 . . . . . A 40 PRO C . 19614 1 171 . 1 1 15 15 PRO CA C 13 64.315 0.080 . . . . . A 40 PRO CA . 19614 1 172 . 1 1 15 15 PRO CB C 13 31.675 0.135 . . . . . A 40 PRO CB . 19614 1 173 . 1 1 15 15 PRO CG C 13 27.748 0.069 . . . . . A 40 PRO CG . 19614 1 174 . 1 1 15 15 PRO CD C 13 50.419 0.038 . . . . . A 40 PRO CD . 19614 1 175 . 1 1 16 16 ILE H H 1 8.011 0.007 . . . . . A 41 ILE H . 19614 1 176 . 1 1 16 16 ILE HA H 1 3.967 0.005 . . . . . A 41 ILE HA . 19614 1 177 . 1 1 16 16 ILE HB H 1 1.921 0.012 . . . . . A 41 ILE HB . 19614 1 178 . 1 1 16 16 ILE HG12 H 1 1.235 0.005 . . . . . A 41 ILE HG12 . 19614 1 179 . 1 1 16 16 ILE HG13 H 1 1.526 0.015 . . . . . A 41 ILE HG13 . 19614 1 180 . 1 1 16 16 ILE HG21 H 1 0.914 0.007 . . . . . A 41 ILE HG21 . 19614 1 181 . 1 1 16 16 ILE HG22 H 1 0.914 0.007 . . . . . A 41 ILE HG22 . 19614 1 182 . 1 1 16 16 ILE HG23 H 1 0.914 0.007 . . . . . A 41 ILE HG23 . 19614 1 183 . 1 1 16 16 ILE HD11 H 1 0.867 0.005 . . . . . A 41 ILE HD11 . 19614 1 184 . 1 1 16 16 ILE HD12 H 1 0.867 0.005 . . . . . A 41 ILE HD12 . 19614 1 185 . 1 1 16 16 ILE HD13 H 1 0.867 0.005 . . . . . A 41 ILE HD13 . 19614 1 186 . 1 1 16 16 ILE C C 13 177.393 0.003 . . . . . A 41 ILE C . 19614 1 187 . 1 1 16 16 ILE CA C 13 62.575 0.036 . . . . . A 41 ILE CA . 19614 1 188 . 1 1 16 16 ILE CB C 13 37.900 0.068 . . . . . A 41 ILE CB . 19614 1 189 . 1 1 16 16 ILE CG1 C 13 28.159 0.052 . . . . . A 41 ILE CG1 . 19614 1 190 . 1 1 16 16 ILE CG2 C 13 17.387 0.028 . . . . . A 41 ILE CG2 . 19614 1 191 . 1 1 16 16 ILE CD1 C 13 12.679 0.053 . . . . . A 41 ILE CD1 . 19614 1 192 . 1 1 16 16 ILE N N 15 120.414 0.029 . . . . . A 41 ILE N . 19614 1 193 . 1 1 17 17 MET H H 1 8.335 0.006 . . . . . A 42 MET H . 19614 1 194 . 1 1 17 17 MET HA H 1 4.330 0.004 . . . . . A 42 MET HA . 19614 1 195 . 1 1 17 17 MET HB2 H 1 2.084 0.007 . . . . . A 42 MET HB2 . 19614 1 196 . 1 1 17 17 MET HB3 H 1 2.134 0.002 . . . . . A 42 MET HB3 . 19614 1 197 . 1 1 17 17 MET HG2 H 1 2.549 0.007 . . . . . A 42 MET HG2 . 19614 1 198 . 1 1 17 17 MET HG3 H 1 2.660 0.006 . . . . . A 42 MET HG3 . 19614 1 199 . 1 1 17 17 MET HE1 H 1 1.863 0.007 . . . . . A 42 MET HE1 . 19614 1 200 . 1 1 17 17 MET HE2 H 1 1.863 0.007 . . . . . A 42 MET HE2 . 19614 1 201 . 1 1 17 17 MET HE3 H 1 1.863 0.007 . . . . . A 42 MET HE3 . 19614 1 202 . 1 1 17 17 MET C C 13 178.050 0.002 . . . . . A 42 MET C . 19614 1 203 . 1 1 17 17 MET CA C 13 56.959 0.074 . . . . . A 42 MET CA . 19614 1 204 . 1 1 17 17 MET CB C 13 32.024 0.100 . . . . . A 42 MET CB . 19614 1 205 . 1 1 17 17 MET CG C 13 32.129 0.046 . . . . . A 42 MET CG . 19614 1 206 . 1 1 17 17 MET N N 15 122.411 0.029 . . . . . A 42 MET N . 19614 1 207 . 1 1 18 18 GLU H H 1 8.397 0.006 . . . . . A 43 GLU H . 19614 1 208 . 1 1 18 18 GLU HA H 1 4.193 0.012 . . . . . A 43 GLU HA . 19614 1 209 . 1 1 18 18 GLU HB2 H 1 2.030 0.010 . . . . . A 43 GLU HB2 . 19614 1 210 . 1 1 18 18 GLU HB3 H 1 2.030 0.010 . . . . . A 43 GLU HB3 . 19614 1 211 . 1 1 18 18 GLU HG2 H 1 2.298 0.007 . . . . . A 43 GLU HG2 . 19614 1 212 . 1 1 18 18 GLU HG3 H 1 2.298 0.007 . . . . . A 43 GLU HG3 . 19614 1 213 . 1 1 18 18 GLU C C 13 177.835 0.026 . . . . . A 43 GLU C . 19614 1 214 . 1 1 18 18 GLU CA C 13 58.157 0.058 . . . . . A 43 GLU CA . 19614 1 215 . 1 1 18 18 GLU CB C 13 29.543 0.099 . . . . . A 43 GLU CB . 19614 1 216 . 1 1 18 18 GLU CG C 13 35.943 0.009 . . . . . A 43 GLU CG . 19614 1 217 . 1 1 18 18 GLU N N 15 121.832 0.044 . . . . . A 43 GLU N . 19614 1 218 . 1 1 19 19 LYS H H 1 8.124 0.009 . . . . . A 44 LYS H . 19614 1 219 . 1 1 19 19 LYS HA H 1 4.083 0.028 . . . . . A 44 LYS HA . 19614 1 220 . 1 1 19 19 LYS HB2 H 1 1.880 0.015 . . . . . A 44 LYS HB2 . 19614 1 221 . 1 1 19 19 LYS HB3 H 1 1.880 0.015 . . . . . A 44 LYS HB3 . 19614 1 222 . 1 1 19 19 LYS HG2 H 1 1.416 0.007 . . . . . A 44 LYS HG2 . 19614 1 223 . 1 1 19 19 LYS HG3 H 1 1.528 0.011 . . . . . A 44 LYS HG3 . 19614 1 224 . 1 1 19 19 LYS HD2 H 1 1.664 0.005 . . . . . A 44 LYS HD2 . 19614 1 225 . 1 1 19 19 LYS HD3 H 1 1.664 0.005 . . . . . A 44 LYS HD3 . 19614 1 226 . 1 1 19 19 LYS HE2 H 1 2.950 0.006 . . . . . A 44 LYS HE2 . 19614 1 227 . 1 1 19 19 LYS HE3 H 1 2.950 0.006 . . . . . A 44 LYS HE3 . 19614 1 228 . 1 1 19 19 LYS C C 13 178.745 0.003 . . . . . A 44 LYS C . 19614 1 229 . 1 1 19 19 LYS CA C 13 58.846 0.062 . . . . . A 44 LYS CA . 19614 1 230 . 1 1 19 19 LYS CB C 13 32.493 0.124 . . . . . A 44 LYS CB . 19614 1 231 . 1 1 19 19 LYS CG C 13 25.202 0.102 . . . . . A 44 LYS CG . 19614 1 232 . 1 1 19 19 LYS CD C 13 29.297 0.078 . . . . . A 44 LYS CD . 19614 1 233 . 1 1 19 19 LYS CE C 13 41.982 0.141 . . . . . A 44 LYS CE . 19614 1 234 . 1 1 19 19 LYS N N 15 121.347 0.051 . . . . . A 44 LYS N . 19614 1 235 . 1 1 20 20 ARG H H 1 8.219 0.009 . . . . . A 45 ARG H . 19614 1 236 . 1 1 20 20 ARG HA H 1 4.247 0.008 . . . . . A 45 ARG HA . 19614 1 237 . 1 1 20 20 ARG HB2 H 1 1.897 0.010 . . . . . A 45 ARG HB2 . 19614 1 238 . 1 1 20 20 ARG HB3 H 1 1.897 0.010 . . . . . A 45 ARG HB3 . 19614 1 239 . 1 1 20 20 ARG HG2 H 1 1.657 0.006 . . . . . A 45 ARG HG2 . 19614 1 240 . 1 1 20 20 ARG HG3 H 1 1.740 0.009 . . . . . A 45 ARG HG3 . 19614 1 241 . 1 1 20 20 ARG HD2 H 1 3.182 0.010 . . . . . A 45 ARG HD2 . 19614 1 242 . 1 1 20 20 ARG HD3 H 1 3.182 0.010 . . . . . A 45 ARG HD3 . 19614 1 243 . 1 1 20 20 ARG C C 13 178.025 0.004 . . . . . A 45 ARG C . 19614 1 244 . 1 1 20 20 ARG CA C 13 58.201 0.091 . . . . . A 45 ARG CA . 19614 1 245 . 1 1 20 20 ARG CB C 13 29.888 0.081 . . . . . A 45 ARG CB . 19614 1 246 . 1 1 20 20 ARG CG C 13 27.334 0.114 . . . . . A 45 ARG CG . 19614 1 247 . 1 1 20 20 ARG CD C 13 43.235 0.092 . . . . . A 45 ARG CD . 19614 1 248 . 1 1 20 20 ARG N N 15 120.603 0.040 . . . . . A 45 ARG N . 19614 1 249 . 1 1 21 21 ARG H H 1 8.245 0.013 . . . . . A 46 ARG H . 19614 1 250 . 1 1 21 21 ARG HA H 1 3.908 0.023 . . . . . A 46 ARG HA . 19614 1 251 . 1 1 21 21 ARG HB2 H 1 1.835 0.009 . . . . . A 46 ARG HB2 . 19614 1 252 . 1 1 21 21 ARG HB3 H 1 1.913 0.006 . . . . . A 46 ARG HB3 . 19614 1 253 . 1 1 21 21 ARG HG2 H 1 1.590 0.007 . . . . . A 46 ARG HG2 . 19614 1 254 . 1 1 21 21 ARG HG3 H 1 1.693 0.011 . . . . . A 46 ARG HG3 . 19614 1 255 . 1 1 21 21 ARG HD2 H 1 3.192 0.006 . . . . . A 46 ARG HD2 . 19614 1 256 . 1 1 21 21 ARG HD3 H 1 3.192 0.006 . . . . . A 46 ARG HD3 . 19614 1 257 . 1 1 21 21 ARG C C 13 177.855 0.013 . . . . . A 46 ARG C . 19614 1 258 . 1 1 21 21 ARG CA C 13 59.726 0.082 . . . . . A 46 ARG CA . 19614 1 259 . 1 1 21 21 ARG CB C 13 30.215 0.119 . . . . . A 46 ARG CB . 19614 1 260 . 1 1 21 21 ARG CG C 13 28.016 0.060 . . . . . A 46 ARG CG . 19614 1 261 . 1 1 21 21 ARG CD C 13 43.333 0.065 . . . . . A 46 ARG CD . 19614 1 262 . 1 1 21 21 ARG N N 15 121.714 0.075 . . . . . A 46 ARG N . 19614 1 263 . 1 1 22 22 ARG H H 1 8.233 0.013 . . . . . A 47 ARG H . 19614 1 264 . 1 1 22 22 ARG HA H 1 3.961 0.005 . . . . . A 47 ARG HA . 19614 1 265 . 1 1 22 22 ARG HB2 H 1 1.884 0.018 . . . . . A 47 ARG HB2 . 19614 1 266 . 1 1 22 22 ARG HB3 H 1 1.884 0.018 . . . . . A 47 ARG HB3 . 19614 1 267 . 1 1 22 22 ARG HG2 H 1 1.694 0.005 . . . . . A 47 ARG HG2 . 19614 1 268 . 1 1 22 22 ARG HG3 H 1 1.694 0.005 . . . . . A 47 ARG HG3 . 19614 1 269 . 1 1 22 22 ARG HD2 H 1 3.179 0.015 . . . . . A 47 ARG HD2 . 19614 1 270 . 1 1 22 22 ARG HD3 H 1 3.179 0.015 . . . . . A 47 ARG HD3 . 19614 1 271 . 1 1 22 22 ARG C C 13 177.899 0.017 . . . . . A 47 ARG C . 19614 1 272 . 1 1 22 22 ARG CA C 13 58.541 0.163 . . . . . A 47 ARG CA . 19614 1 273 . 1 1 22 22 ARG CB C 13 29.704 0.200 . . . . . A 47 ARG CB . 19614 1 274 . 1 1 22 22 ARG CG C 13 27.030 0.157 . . . . . A 47 ARG CG . 19614 1 275 . 1 1 22 22 ARG CD C 13 42.966 0.104 . . . . . A 47 ARG CD . 19614 1 276 . 1 1 22 22 ARG N N 15 118.469 0.083 . . . . . A 47 ARG N . 19614 1 277 . 1 1 23 23 ALA H H 1 7.962 0.006 . . . . . A 48 ALA H . 19614 1 278 . 1 1 23 23 ALA HA H 1 4.205 0.005 . . . . . A 48 ALA HA . 19614 1 279 . 1 1 23 23 ALA HB1 H 1 1.505 0.009 . . . . . A 48 ALA HB1 . 19614 1 280 . 1 1 23 23 ALA HB2 H 1 1.505 0.009 . . . . . A 48 ALA HB2 . 19614 1 281 . 1 1 23 23 ALA HB3 H 1 1.505 0.009 . . . . . A 48 ALA HB3 . 19614 1 282 . 1 1 23 23 ALA C C 13 180.284 0.013 . . . . . A 48 ALA C . 19614 1 283 . 1 1 23 23 ALA CA C 13 54.815 0.042 . . . . . A 48 ALA CA . 19614 1 284 . 1 1 23 23 ALA CB C 13 18.025 0.086 . . . . . A 48 ALA CB . 19614 1 285 . 1 1 23 23 ALA N N 15 121.720 0.115 . . . . . A 48 ALA N . 19614 1 286 . 1 1 24 24 ARG H H 1 8.103 0.007 . . . . . A 49 ARG H . 19614 1 287 . 1 1 24 24 ARG C C 13 179.589 0.000 . . . . . A 49 ARG C . 19614 1 288 . 1 1 24 24 ARG CA C 13 59.291 0.062 . . . . . A 49 ARG CA . 19614 1 289 . 1 1 24 24 ARG CB C 13 30.993 0.000 . . . . . A 49 ARG CB . 19614 1 290 . 1 1 24 24 ARG N N 15 119.603 0.075 . . . . . A 49 ARG N . 19614 1 291 . 1 1 25 25 ILE H H 1 8.145 0.007 . . . . . A 50 ILE H . 19614 1 292 . 1 1 25 25 ILE HA H 1 3.662 0.005 . . . . . A 50 ILE HA . 19614 1 293 . 1 1 25 25 ILE HB H 1 1.856 0.011 . . . . . A 50 ILE HB . 19614 1 294 . 1 1 25 25 ILE HG21 H 1 0.810 0.005 . . . . . A 50 ILE HG21 . 19614 1 295 . 1 1 25 25 ILE HG22 H 1 0.810 0.005 . . . . . A 50 ILE HG22 . 19614 1 296 . 1 1 25 25 ILE HG23 H 1 0.810 0.005 . . . . . A 50 ILE HG23 . 19614 1 297 . 1 1 25 25 ILE HD11 H 1 0.824 0.004 . . . . . A 50 ILE HD11 . 19614 1 298 . 1 1 25 25 ILE HD12 H 1 0.824 0.004 . . . . . A 50 ILE HD12 . 19614 1 299 . 1 1 25 25 ILE HD13 H 1 0.824 0.004 . . . . . A 50 ILE HD13 . 19614 1 300 . 1 1 25 25 ILE C C 13 177.372 0.000 . . . . . A 50 ILE C . 19614 1 301 . 1 1 25 25 ILE CA C 13 65.302 0.049 . . . . . A 50 ILE CA . 19614 1 302 . 1 1 25 25 ILE CB C 13 38.216 0.200 . . . . . A 50 ILE CB . 19614 1 303 . 1 1 25 25 ILE CG1 C 13 29.848 0.055 . . . . . A 50 ILE CG1 . 19614 1 304 . 1 1 25 25 ILE CG2 C 13 16.521 0.062 . . . . . A 50 ILE CG2 . 19614 1 305 . 1 1 25 25 ILE CD1 C 13 13.679 0.142 . . . . . A 50 ILE CD1 . 19614 1 306 . 1 1 25 25 ILE N N 15 121.545 0.071 . . . . . A 50 ILE N . 19614 1 307 . 1 1 26 26 ASN H H 1 8.431 0.006 . . . . . A 51 ASN H . 19614 1 308 . 1 1 26 26 ASN HA H 1 4.407 0.023 . . . . . A 51 ASN HA . 19614 1 309 . 1 1 26 26 ASN HB2 H 1 2.825 0.005 . . . . . A 51 ASN HB2 . 19614 1 310 . 1 1 26 26 ASN HB3 H 1 2.855 0.002 . . . . . A 51 ASN HB3 . 19614 1 311 . 1 1 26 26 ASN HD21 H 1 6.991 0.002 . . . . . A 51 ASN HD21 . 19614 1 312 . 1 1 26 26 ASN HD22 H 1 7.640 0.001 . . . . . A 51 ASN HD22 . 19614 1 313 . 1 1 26 26 ASN C C 13 178.725 0.009 . . . . . A 51 ASN C . 19614 1 314 . 1 1 26 26 ASN CA C 13 56.205 0.132 . . . . . A 51 ASN CA . 19614 1 315 . 1 1 26 26 ASN CB C 13 37.594 0.138 . . . . . A 51 ASN CB . 19614 1 316 . 1 1 26 26 ASN N N 15 117.894 0.040 . . . . . A 51 ASN N . 19614 1 317 . 1 1 26 26 ASN ND2 N 15 112.006 0.041 . . . . . A 51 ASN ND2 . 19614 1 318 . 1 1 27 27 GLU H H 1 8.299 0.006 . . . . . A 52 GLU H . 19614 1 319 . 1 1 27 27 GLU HA H 1 4.205 0.006 . . . . . A 52 GLU HA . 19614 1 320 . 1 1 27 27 GLU HB2 H 1 2.078 0.006 . . . . . A 52 GLU HB2 . 19614 1 321 . 1 1 27 27 GLU HB3 H 1 2.170 0.007 . . . . . A 52 GLU HB3 . 19614 1 322 . 1 1 27 27 GLU HG2 H 1 2.319 0.006 . . . . . A 52 GLU HG2 . 19614 1 323 . 1 1 27 27 GLU HG3 H 1 2.319 0.006 . . . . . A 52 GLU HG3 . 19614 1 324 . 1 1 27 27 GLU C C 13 179.243 0.019 . . . . . A 52 GLU C . 19614 1 325 . 1 1 27 27 GLU CA C 13 59.291 0.092 . . . . . A 52 GLU CA . 19614 1 326 . 1 1 27 27 GLU CB C 13 29.101 0.124 . . . . . A 52 GLU CB . 19614 1 327 . 1 1 27 27 GLU CG C 13 35.906 0.053 . . . . . A 52 GLU CG . 19614 1 328 . 1 1 27 27 GLU N N 15 121.612 0.053 . . . . . A 52 GLU N . 19614 1 329 . 1 1 28 28 SER H H 1 8.254 0.007 . . . . . A 53 SER H . 19614 1 330 . 1 1 28 28 SER C C 13 176.283 0.000 . . . . . A 53 SER C . 19614 1 331 . 1 1 28 28 SER CA C 13 63.032 0.175 . . . . . A 53 SER CA . 19614 1 332 . 1 1 28 28 SER N N 15 116.604 0.031 . . . . . A 53 SER N . 19614 1 333 . 1 1 29 29 LEU H H 1 8.693 0.004 . . . . . A 54 LEU H . 19614 1 334 . 1 1 29 29 LEU HA H 1 3.962 0.009 . . . . . A 54 LEU HA . 19614 1 335 . 1 1 29 29 LEU HB2 H 1 1.520 0.010 . . . . . A 54 LEU HB2 . 19614 1 336 . 1 1 29 29 LEU HB3 H 1 1.945 0.013 . . . . . A 54 LEU HB3 . 19614 1 337 . 1 1 29 29 LEU HG H 1 1.831 0.009 . . . . . A 54 LEU HG . 19614 1 338 . 1 1 29 29 LEU HD11 H 1 0.752 0.009 . . . . . A 54 LEU HD11 . 19614 1 339 . 1 1 29 29 LEU HD12 H 1 0.752 0.009 . . . . . A 54 LEU HD12 . 19614 1 340 . 1 1 29 29 LEU HD13 H 1 0.752 0.009 . . . . . A 54 LEU HD13 . 19614 1 341 . 1 1 29 29 LEU HD21 H 1 0.825 0.013 . . . . . A 54 LEU HD21 . 19614 1 342 . 1 1 29 29 LEU HD22 H 1 0.825 0.013 . . . . . A 54 LEU HD22 . 19614 1 343 . 1 1 29 29 LEU HD23 H 1 0.825 0.013 . . . . . A 54 LEU HD23 . 19614 1 344 . 1 1 29 29 LEU C C 13 178.897 0.000 . . . . . A 54 LEU C . 19614 1 345 . 1 1 29 29 LEU CA C 13 58.116 0.125 . . . . . A 54 LEU CA . 19614 1 346 . 1 1 29 29 LEU CB C 13 41.576 0.163 . . . . . A 54 LEU CB . 19614 1 347 . 1 1 29 29 LEU CG C 13 27.116 0.122 . . . . . A 54 LEU CG . 19614 1 348 . 1 1 29 29 LEU CD1 C 13 25.932 0.123 . . . . . A 54 LEU CD1 . 19614 1 349 . 1 1 29 29 LEU CD2 C 13 23.511 0.084 . . . . . A 54 LEU CD2 . 19614 1 350 . 1 1 29 29 LEU N N 15 121.925 0.023 . . . . . A 54 LEU N . 19614 1 351 . 1 1 30 30 SER H H 1 7.823 0.007 . . . . . A 55 SER H . 19614 1 352 . 1 1 30 30 SER HA H 1 4.181 0.011 . . . . . A 55 SER HA . 19614 1 353 . 1 1 30 30 SER HB2 H 1 4.052 0.015 . . . . . A 55 SER HB2 . 19614 1 354 . 1 1 30 30 SER HB3 H 1 4.052 0.015 . . . . . A 55 SER HB3 . 19614 1 355 . 1 1 30 30 SER C C 13 177.381 0.000 . . . . . A 55 SER C . 19614 1 356 . 1 1 30 30 SER CA C 13 61.568 0.095 . . . . . A 55 SER CA . 19614 1 357 . 1 1 30 30 SER CB C 13 62.527 0.096 . . . . . A 55 SER CB . 19614 1 358 . 1 1 30 30 SER N N 15 114.515 0.035 . . . . . A 55 SER N . 19614 1 359 . 1 1 31 31 GLN H H 1 7.886 0.007 . . . . . A 56 GLN H . 19614 1 360 . 1 1 31 31 GLN HA H 1 4.087 0.008 . . . . . A 56 GLN HA . 19614 1 361 . 1 1 31 31 GLN HB2 H 1 2.318 0.003 . . . . . A 56 GLN HB2 . 19614 1 362 . 1 1 31 31 GLN HB3 H 1 2.318 0.003 . . . . . A 56 GLN HB3 . 19614 1 363 . 1 1 31 31 GLN HG2 H 1 2.401 0.007 . . . . . A 56 GLN HG2 . 19614 1 364 . 1 1 31 31 GLN HG3 H 1 2.638 0.007 . . . . . A 56 GLN HG3 . 19614 1 365 . 1 1 31 31 GLN HE21 H 1 6.809 0.004 . . . . . A 56 GLN HE21 . 19614 1 366 . 1 1 31 31 GLN HE22 H 1 7.558 0.004 . . . . . A 56 GLN HE22 . 19614 1 367 . 1 1 31 31 GLN C C 13 178.904 0.015 . . . . . A 56 GLN C . 19614 1 368 . 1 1 31 31 GLN CA C 13 58.679 0.092 . . . . . A 56 GLN CA . 19614 1 369 . 1 1 31 31 GLN CB C 13 28.669 0.220 . . . . . A 56 GLN CB . 19614 1 370 . 1 1 31 31 GLN CG C 13 33.897 0.047 . . . . . A 56 GLN CG . 19614 1 371 . 1 1 31 31 GLN N N 15 120.605 0.057 . . . . . A 56 GLN N . 19614 1 372 . 1 1 31 31 GLN NE2 N 15 111.661 0.032 . . . . . A 56 GLN NE2 . 19614 1 373 . 1 1 32 32 LEU H H 1 8.845 0.006 . . . . . A 57 LEU H . 19614 1 374 . 1 1 32 32 LEU HA H 1 3.953 0.011 . . . . . A 57 LEU HA . 19614 1 375 . 1 1 32 32 LEU HB2 H 1 1.657 0.011 . . . . . A 57 LEU HB2 . 19614 1 376 . 1 1 32 32 LEU HB3 H 1 1.657 0.011 . . . . . A 57 LEU HB3 . 19614 1 377 . 1 1 32 32 LEU HD11 H 1 0.848 0.008 . . . . . A 57 LEU HD11 . 19614 1 378 . 1 1 32 32 LEU HD12 H 1 0.848 0.008 . . . . . A 57 LEU HD12 . 19614 1 379 . 1 1 32 32 LEU HD13 H 1 0.848 0.008 . . . . . A 57 LEU HD13 . 19614 1 380 . 1 1 32 32 LEU HD21 H 1 0.792 0.006 . . . . . A 57 LEU HD21 . 19614 1 381 . 1 1 32 32 LEU HD22 H 1 0.792 0.006 . . . . . A 57 LEU HD22 . 19614 1 382 . 1 1 32 32 LEU HD23 H 1 0.792 0.006 . . . . . A 57 LEU HD23 . 19614 1 383 . 1 1 32 32 LEU C C 13 177.406 0.026 . . . . . A 57 LEU C . 19614 1 384 . 1 1 32 32 LEU CA C 13 57.957 0.156 . . . . . A 57 LEU CA . 19614 1 385 . 1 1 32 32 LEU CB C 13 41.486 0.164 . . . . . A 57 LEU CB . 19614 1 386 . 1 1 32 32 LEU CD1 C 13 24.575 0.000 . . . . . A 57 LEU CD1 . 19614 1 387 . 1 1 32 32 LEU CD2 C 13 24.541 0.120 . . . . . A 57 LEU CD2 . 19614 1 388 . 1 1 32 32 LEU N N 15 120.488 0.100 . . . . . A 57 LEU N . 19614 1 389 . 1 1 33 33 LYS H H 1 8.145 0.007 . . . . . A 58 LYS H . 19614 1 390 . 1 1 33 33 LYS HE2 H 1 2.865 0.007 . . . . . A 58 LYS HE2 . 19614 1 391 . 1 1 33 33 LYS HE3 H 1 2.865 0.007 . . . . . A 58 LYS HE3 . 19614 1 392 . 1 1 33 33 LYS C C 13 176.891 0.018 . . . . . A 58 LYS C . 19614 1 393 . 1 1 33 33 LYS CA C 13 60.535 0.118 . . . . . A 58 LYS CA . 19614 1 394 . 1 1 33 33 LYS CB C 13 31.903 0.114 . . . . . A 58 LYS CB . 19614 1 395 . 1 1 33 33 LYS N N 15 118.053 0.045 . . . . . A 58 LYS N . 19614 1 396 . 1 1 34 34 THR H H 1 7.393 0.006 . . . . . A 59 THR H . 19614 1 397 . 1 1 34 34 THR HA H 1 3.812 0.003 . . . . . A 59 THR HA . 19614 1 398 . 1 1 34 34 THR HB H 1 4.181 0.007 . . . . . A 59 THR HB . 19614 1 399 . 1 1 34 34 THR HG21 H 1 1.214 0.012 . . . . . A 59 THR HG21 . 19614 1 400 . 1 1 34 34 THR HG22 H 1 1.214 0.012 . . . . . A 59 THR HG22 . 19614 1 401 . 1 1 34 34 THR HG23 H 1 1.214 0.012 . . . . . A 59 THR HG23 . 19614 1 402 . 1 1 34 34 THR C C 13 176.273 0.000 . . . . . A 59 THR C . 19614 1 403 . 1 1 34 34 THR CA C 13 66.367 0.074 . . . . . A 59 THR CA . 19614 1 404 . 1 1 34 34 THR CB C 13 68.902 0.111 . . . . . A 59 THR CB . 19614 1 405 . 1 1 34 34 THR CG2 C 13 21.928 0.048 . . . . . A 59 THR CG2 . 19614 1 406 . 1 1 34 34 THR N N 15 112.948 0.046 . . . . . A 59 THR N . 19614 1 407 . 1 1 35 35 LEU H H 1 8.005 0.008 . . . . . A 60 LEU H . 19614 1 408 . 1 1 35 35 LEU HA H 1 4.066 0.011 . . . . . A 60 LEU HA . 19614 1 409 . 1 1 35 35 LEU HG H 1 1.756 0.005 . . . . . A 60 LEU HG . 19614 1 410 . 1 1 35 35 LEU HD11 H 1 0.899 0.015 . . . . . A 60 LEU HD11 . 19614 1 411 . 1 1 35 35 LEU HD12 H 1 0.899 0.015 . . . . . A 60 LEU HD12 . 19614 1 412 . 1 1 35 35 LEU HD13 H 1 0.899 0.015 . . . . . A 60 LEU HD13 . 19614 1 413 . 1 1 35 35 LEU HD21 H 1 0.817 0.008 . . . . . A 60 LEU HD21 . 19614 1 414 . 1 1 35 35 LEU HD22 H 1 0.817 0.008 . . . . . A 60 LEU HD22 . 19614 1 415 . 1 1 35 35 LEU HD23 H 1 0.817 0.008 . . . . . A 60 LEU HD23 . 19614 1 416 . 1 1 35 35 LEU C C 13 179.994 0.038 . . . . . A 60 LEU C . 19614 1 417 . 1 1 35 35 LEU CA C 13 58.096 0.064 . . . . . A 60 LEU CA . 19614 1 418 . 1 1 35 35 LEU CB C 13 43.107 0.095 . . . . . A 60 LEU CB . 19614 1 419 . 1 1 35 35 LEU CD1 C 13 27.686 0.068 . . . . . A 60 LEU CD1 . 19614 1 420 . 1 1 35 35 LEU CD2 C 13 23.473 0.032 . . . . . A 60 LEU CD2 . 19614 1 421 . 1 1 35 35 LEU N N 15 120.435 0.051 . . . . . A 60 LEU N . 19614 1 422 . 1 1 36 36 ILE H H 1 8.847 0.007 . . . . . A 61 ILE H . 19614 1 423 . 1 1 36 36 ILE HA H 1 3.934 0.009 . . . . . A 61 ILE HA . 19614 1 424 . 1 1 36 36 ILE HB H 1 1.791 0.006 . . . . . A 61 ILE HB . 19614 1 425 . 1 1 36 36 ILE HG12 H 1 1.266 0.011 . . . . . A 61 ILE HG12 . 19614 1 426 . 1 1 36 36 ILE HG13 H 1 1.335 0.007 . . . . . A 61 ILE HG13 . 19614 1 427 . 1 1 36 36 ILE HG21 H 1 0.860 0.008 . . . . . A 61 ILE HG21 . 19614 1 428 . 1 1 36 36 ILE HG22 H 1 0.860 0.008 . . . . . A 61 ILE HG22 . 19614 1 429 . 1 1 36 36 ILE HG23 H 1 0.860 0.008 . . . . . A 61 ILE HG23 . 19614 1 430 . 1 1 36 36 ILE HD11 H 1 0.715 0.008 . . . . . A 61 ILE HD11 . 19614 1 431 . 1 1 36 36 ILE HD12 H 1 0.715 0.008 . . . . . A 61 ILE HD12 . 19614 1 432 . 1 1 36 36 ILE HD13 H 1 0.715 0.008 . . . . . A 61 ILE HD13 . 19614 1 433 . 1 1 36 36 ILE C C 13 176.957 0.001 . . . . . A 61 ILE C . 19614 1 434 . 1 1 36 36 ILE CA C 13 60.979 0.132 . . . . . A 61 ILE CA . 19614 1 435 . 1 1 36 36 ILE CB C 13 37.229 0.091 . . . . . A 61 ILE CB . 19614 1 436 . 1 1 36 36 ILE CG1 C 13 28.534 0.085 . . . . . A 61 ILE CG1 . 19614 1 437 . 1 1 36 36 ILE CG2 C 13 19.083 0.072 . . . . . A 61 ILE CG2 . 19614 1 438 . 1 1 36 36 ILE CD1 C 13 13.754 0.048 . . . . . A 61 ILE CD1 . 19614 1 439 . 1 1 36 36 ILE N N 15 120.041 0.074 . . . . . A 61 ILE N . 19614 1 440 . 1 1 37 37 LEU H H 1 7.944 0.006 . . . . . A 62 LEU H . 19614 1 441 . 1 1 37 37 LEU HA H 1 3.909 0.007 . . . . . A 62 LEU HA . 19614 1 442 . 1 1 37 37 LEU HB2 H 1 1.320 0.012 . . . . . A 62 LEU HB2 . 19614 1 443 . 1 1 37 37 LEU HB3 H 1 1.862 0.008 . . . . . A 62 LEU HB3 . 19614 1 444 . 1 1 37 37 LEU HD11 H 1 0.746 0.008 . . . . . A 62 LEU HD11 . 19614 1 445 . 1 1 37 37 LEU HD12 H 1 0.746 0.008 . . . . . A 62 LEU HD12 . 19614 1 446 . 1 1 37 37 LEU HD13 H 1 0.746 0.008 . . . . . A 62 LEU HD13 . 19614 1 447 . 1 1 37 37 LEU HD21 H 1 0.602 0.005 . . . . . A 62 LEU HD21 . 19614 1 448 . 1 1 37 37 LEU HD22 H 1 0.602 0.005 . . . . . A 62 LEU HD22 . 19614 1 449 . 1 1 37 37 LEU HD23 H 1 0.602 0.005 . . . . . A 62 LEU HD23 . 19614 1 450 . 1 1 37 37 LEU C C 13 179.562 0.000 . . . . . A 62 LEU C . 19614 1 451 . 1 1 37 37 LEU CA C 13 58.035 0.069 . . . . . A 62 LEU CA . 19614 1 452 . 1 1 37 37 LEU CB C 13 40.219 0.115 . . . . . A 62 LEU CB . 19614 1 453 . 1 1 37 37 LEU CD1 C 13 26.023 0.038 . . . . . A 62 LEU CD1 . 19614 1 454 . 1 1 37 37 LEU CD2 C 13 22.533 0.055 . . . . . A 62 LEU CD2 . 19614 1 455 . 1 1 37 37 LEU N N 15 121.236 0.025 . . . . . A 62 LEU N . 19614 1 456 . 1 1 38 38 ASP H H 1 7.844 0.006 . . . . . A 63 ASP H . 19614 1 457 . 1 1 38 38 ASP HA H 1 4.458 0.012 . . . . . A 63 ASP HA . 19614 1 458 . 1 1 38 38 ASP HB2 H 1 2.592 0.006 . . . . . A 63 ASP HB2 . 19614 1 459 . 1 1 38 38 ASP HB3 H 1 2.766 0.007 . . . . . A 63 ASP HB3 . 19614 1 460 . 1 1 38 38 ASP C C 13 178.858 0.008 . . . . . A 63 ASP C . 19614 1 461 . 1 1 38 38 ASP CA C 13 56.964 0.107 . . . . . A 63 ASP CA . 19614 1 462 . 1 1 38 38 ASP CB C 13 40.822 0.138 . . . . . A 63 ASP CB . 19614 1 463 . 1 1 38 38 ASP N N 15 117.983 0.027 . . . . . A 63 ASP N . 19614 1 464 . 1 1 39 39 ALA H H 1 7.869 0.007 . . . . . A 64 ALA H . 19614 1 465 . 1 1 39 39 ALA HA H 1 4.086 0.022 . . . . . A 64 ALA HA . 19614 1 466 . 1 1 39 39 ALA HB1 H 1 1.244 0.009 . . . . . A 64 ALA HB1 . 19614 1 467 . 1 1 39 39 ALA HB2 H 1 1.244 0.009 . . . . . A 64 ALA HB2 . 19614 1 468 . 1 1 39 39 ALA HB3 H 1 1.244 0.009 . . . . . A 64 ALA HB3 . 19614 1 469 . 1 1 39 39 ALA C C 13 179.354 0.003 . . . . . A 64 ALA C . 19614 1 470 . 1 1 39 39 ALA CA C 13 54.396 0.218 . . . . . A 64 ALA CA . 19614 1 471 . 1 1 39 39 ALA CB C 13 17.785 0.111 . . . . . A 64 ALA CB . 19614 1 472 . 1 1 39 39 ALA N N 15 122.425 0.024 . . . . . A 64 ALA N . 19614 1 473 . 1 1 40 40 LEU H H 1 7.669 0.006 . . . . . A 65 LEU H . 19614 1 474 . 1 1 40 40 LEU HA H 1 4.222 0.007 . . . . . A 65 LEU HA . 19614 1 475 . 1 1 40 40 LEU HB2 H 1 1.613 0.012 . . . . . A 65 LEU HB2 . 19614 1 476 . 1 1 40 40 LEU HB3 H 1 1.613 0.012 . . . . . A 65 LEU HB3 . 19614 1 477 . 1 1 40 40 LEU HG H 1 1.559 0.009 . . . . . A 65 LEU HG . 19614 1 478 . 1 1 40 40 LEU HD11 H 1 0.757 0.008 . . . . . A 65 LEU HD11 . 19614 1 479 . 1 1 40 40 LEU HD12 H 1 0.757 0.008 . . . . . A 65 LEU HD12 . 19614 1 480 . 1 1 40 40 LEU HD13 H 1 0.757 0.008 . . . . . A 65 LEU HD13 . 19614 1 481 . 1 1 40 40 LEU HD21 H 1 0.757 0.008 . . . . . A 65 LEU HD21 . 19614 1 482 . 1 1 40 40 LEU HD22 H 1 0.757 0.008 . . . . . A 65 LEU HD22 . 19614 1 483 . 1 1 40 40 LEU HD23 H 1 0.757 0.008 . . . . . A 65 LEU HD23 . 19614 1 484 . 1 1 40 40 LEU C C 13 176.661 0.005 . . . . . A 65 LEU C . 19614 1 485 . 1 1 40 40 LEU CA C 13 54.642 0.067 . . . . . A 65 LEU CA . 19614 1 486 . 1 1 40 40 LEU CB C 13 41.957 0.121 . . . . . A 65 LEU CB . 19614 1 487 . 1 1 40 40 LEU CG C 13 26.062 0.159 . . . . . A 65 LEU CG . 19614 1 488 . 1 1 40 40 LEU CD1 C 13 22.525 0.050 . . . . . A 65 LEU CD1 . 19614 1 489 . 1 1 40 40 LEU CD2 C 13 22.525 0.050 . . . . . A 65 LEU CD2 . 19614 1 490 . 1 1 40 40 LEU N N 15 116.489 0.039 . . . . . A 65 LEU N . 19614 1 491 . 1 1 41 41 LYS H H 1 7.806 0.007 . . . . . A 66 LYS H . 19614 1 492 . 1 1 41 41 LYS HA H 1 4.058 0.010 . . . . . A 66 LYS HA . 19614 1 493 . 1 1 41 41 LYS HB2 H 1 1.911 0.035 . . . . . A 66 LYS HB2 . 19614 1 494 . 1 1 41 41 LYS HB3 H 1 1.911 0.035 . . . . . A 66 LYS HB3 . 19614 1 495 . 1 1 41 41 LYS HG2 H 1 1.380 0.014 . . . . . A 66 LYS HG2 . 19614 1 496 . 1 1 41 41 LYS HG3 H 1 1.380 0.014 . . . . . A 66 LYS HG3 . 19614 1 497 . 1 1 41 41 LYS HE2 H 1 2.966 0.018 . . . . . A 66 LYS HE2 . 19614 1 498 . 1 1 41 41 LYS HE3 H 1 2.966 0.018 . . . . . A 66 LYS HE3 . 19614 1 499 . 1 1 41 41 LYS C C 13 176.651 0.012 . . . . . A 66 LYS C . 19614 1 500 . 1 1 41 41 LYS CA C 13 57.100 0.152 . . . . . A 66 LYS CA . 19614 1 501 . 1 1 41 41 LYS CB C 13 30.249 0.089 . . . . . A 66 LYS CB . 19614 1 502 . 1 1 41 41 LYS CG C 13 24.732 0.067 . . . . . A 66 LYS CG . 19614 1 503 . 1 1 41 41 LYS CD C 13 28.974 0.071 . . . . . A 66 LYS CD . 19614 1 504 . 1 1 41 41 LYS CE C 13 42.404 0.000 . . . . . A 66 LYS CE . 19614 1 505 . 1 1 41 41 LYS N N 15 118.229 0.031 . . . . . A 66 LYS N . 19614 1 506 . 1 1 42 42 LYS H H 1 8.249 0.005 . . . . . A 67 LYS H . 19614 1 507 . 1 1 42 42 LYS HA H 1 4.278 0.010 . . . . . A 67 LYS HA . 19614 1 508 . 1 1 42 42 LYS HB2 H 1 1.617 0.026 . . . . . A 67 LYS HB2 . 19614 1 509 . 1 1 42 42 LYS HB3 H 1 1.617 0.026 . . . . . A 67 LYS HB3 . 19614 1 510 . 1 1 42 42 LYS HG2 H 1 1.339 0.008 . . . . . A 67 LYS HG2 . 19614 1 511 . 1 1 42 42 LYS HG3 H 1 1.339 0.008 . . . . . A 67 LYS HG3 . 19614 1 512 . 1 1 42 42 LYS HD2 H 1 1.538 0.003 . . . . . A 67 LYS HD2 . 19614 1 513 . 1 1 42 42 LYS HD3 H 1 1.538 0.003 . . . . . A 67 LYS HD3 . 19614 1 514 . 1 1 42 42 LYS HE2 H 1 2.903 0.008 . . . . . A 67 LYS HE2 . 19614 1 515 . 1 1 42 42 LYS HE3 H 1 2.903 0.008 . . . . . A 67 LYS HE3 . 19614 1 516 . 1 1 42 42 LYS C C 13 176.163 0.015 . . . . . A 67 LYS C . 19614 1 517 . 1 1 42 42 LYS CA C 13 55.658 0.150 . . . . . A 67 LYS CA . 19614 1 518 . 1 1 42 42 LYS CB C 13 33.462 0.086 . . . . . A 67 LYS CB . 19614 1 519 . 1 1 42 42 LYS CG C 13 24.834 0.041 . . . . . A 67 LYS CG . 19614 1 520 . 1 1 42 42 LYS CD C 13 28.699 0.090 . . . . . A 67 LYS CD . 19614 1 521 . 1 1 42 42 LYS CE C 13 41.851 0.122 . . . . . A 67 LYS CE . 19614 1 522 . 1 1 42 42 LYS N N 15 119.380 0.034 . . . . . A 67 LYS N . 19614 1 523 . 1 1 43 43 ASP H H 1 8.350 0.005 . . . . . A 68 ASP H . 19614 1 524 . 1 1 43 43 ASP HA H 1 4.601 0.017 . . . . . A 68 ASP HA . 19614 1 525 . 1 1 43 43 ASP HB2 H 1 2.659 0.006 . . . . . A 68 ASP HB2 . 19614 1 526 . 1 1 43 43 ASP HB3 H 1 2.743 0.008 . . . . . A 68 ASP HB3 . 19614 1 527 . 1 1 43 43 ASP C C 13 177.001 0.018 . . . . . A 68 ASP C . 19614 1 528 . 1 1 43 43 ASP CA C 13 54.192 0.153 . . . . . A 68 ASP CA . 19614 1 529 . 1 1 43 43 ASP CB C 13 41.383 0.125 . . . . . A 68 ASP CB . 19614 1 530 . 1 1 43 43 ASP N N 15 120.812 0.040 . . . . . A 68 ASP N . 19614 1 531 . 1 1 44 44 SER H H 1 8.608 0.007 . . . . . A 69 SER H . 19614 1 532 . 1 1 44 44 SER HA H 1 4.199 0.003 . . . . . A 69 SER HA . 19614 1 533 . 1 1 44 44 SER HB2 H 1 3.864 0.013 . . . . . A 69 SER HB2 . 19614 1 534 . 1 1 44 44 SER HB3 H 1 3.864 0.013 . . . . . A 69 SER HB3 . 19614 1 535 . 1 1 44 44 SER C C 13 175.643 0.019 . . . . . A 69 SER C . 19614 1 536 . 1 1 44 44 SER CA C 13 59.636 0.192 . . . . . A 69 SER CA . 19614 1 537 . 1 1 44 44 SER CB C 13 63.237 0.163 . . . . . A 69 SER CB . 19614 1 538 . 1 1 44 44 SER N N 15 119.061 0.107 . . . . . A 69 SER N . 19614 1 539 . 1 1 45 45 SER H H 1 8.514 0.006 . . . . . A 70 SER H . 19614 1 540 . 1 1 45 45 SER HA H 1 4.335 0.004 . . . . . A 70 SER HA . 19614 1 541 . 1 1 45 45 SER HB2 H 1 3.878 0.014 . . . . . A 70 SER HB2 . 19614 1 542 . 1 1 45 45 SER HB3 H 1 3.939 0.026 . . . . . A 70 SER HB3 . 19614 1 543 . 1 1 45 45 SER C C 13 175.275 0.008 . . . . . A 70 SER C . 19614 1 544 . 1 1 45 45 SER CA C 13 59.700 0.102 . . . . . A 70 SER CA . 19614 1 545 . 1 1 45 45 SER CB C 13 63.243 0.157 . . . . . A 70 SER CB . 19614 1 546 . 1 1 45 45 SER N N 15 118.325 0.026 . . . . . A 70 SER N . 19614 1 547 . 1 1 46 46 ARG H H 1 7.965 0.006 . . . . . A 71 ARG H . 19614 1 548 . 1 1 46 46 ARG HA H 1 4.231 0.012 . . . . . A 71 ARG HA . 19614 1 549 . 1 1 46 46 ARG HB2 H 1 1.755 0.026 . . . . . A 71 ARG HB2 . 19614 1 550 . 1 1 46 46 ARG HB3 H 1 1.755 0.026 . . . . . A 71 ARG HB3 . 19614 1 551 . 1 1 46 46 ARG HG2 H 1 1.480 0.002 . . . . . A 71 ARG HG2 . 19614 1 552 . 1 1 46 46 ARG HG3 H 1 1.480 0.002 . . . . . A 71 ARG HG3 . 19614 1 553 . 1 1 46 46 ARG HD2 H 1 3.120 0.008 . . . . . A 71 ARG HD2 . 19614 1 554 . 1 1 46 46 ARG HD3 H 1 3.120 0.008 . . . . . A 71 ARG HD3 . 19614 1 555 . 1 1 46 46 ARG C C 13 176.223 0.016 . . . . . A 71 ARG C . 19614 1 556 . 1 1 46 46 ARG CA C 13 56.368 0.109 . . . . . A 71 ARG CA . 19614 1 557 . 1 1 46 46 ARG CB C 13 30.148 0.116 . . . . . A 71 ARG CB . 19614 1 558 . 1 1 46 46 ARG CG C 13 27.047 0.074 . . . . . A 71 ARG CG . 19614 1 559 . 1 1 46 46 ARG CD C 13 43.095 0.078 . . . . . A 71 ARG CD . 19614 1 560 . 1 1 46 46 ARG N N 15 121.317 0.062 . . . . . A 71 ARG N . 19614 1 561 . 1 1 47 47 HIS H H 1 8.036 0.008 . . . . . A 72 HIS H . 19614 1 562 . 1 1 47 47 HIS HA H 1 4.663 0.005 . . . . . A 72 HIS HA . 19614 1 563 . 1 1 47 47 HIS HB2 H 1 2.933 0.019 . . . . . A 72 HIS HB2 . 19614 1 564 . 1 1 47 47 HIS HB3 H 1 3.222 0.014 . . . . . A 72 HIS HB3 . 19614 1 565 . 1 1 47 47 HIS C C 13 175.122 0.016 . . . . . A 72 HIS C . 19614 1 566 . 1 1 47 47 HIS CA C 13 55.935 0.120 . . . . . A 72 HIS CA . 19614 1 567 . 1 1 47 47 HIS CB C 13 29.974 0.102 . . . . . A 72 HIS CB . 19614 1 568 . 1 1 47 47 HIS N N 15 118.894 0.045 . . . . . A 72 HIS N . 19614 1 569 . 1 1 48 48 SER H H 1 8.029 0.006 . . . . . A 73 SER H . 19614 1 570 . 1 1 48 48 SER HA H 1 4.313 0.003 . . . . . A 73 SER HA . 19614 1 571 . 1 1 48 48 SER HB2 H 1 3.835 0.008 . . . . . A 73 SER HB2 . 19614 1 572 . 1 1 48 48 SER HB3 H 1 3.835 0.008 . . . . . A 73 SER HB3 . 19614 1 573 . 1 1 48 48 SER C C 13 174.559 0.027 . . . . . A 73 SER C . 19614 1 574 . 1 1 48 48 SER CA C 13 59.297 0.077 . . . . . A 73 SER CA . 19614 1 575 . 1 1 48 48 SER CB C 13 63.522 0.027 . . . . . A 73 SER CB . 19614 1 576 . 1 1 48 48 SER N N 15 116.302 0.051 . . . . . A 73 SER N . 19614 1 577 . 1 1 49 49 LYS H H 1 8.394 0.005 . . . . . A 74 LYS H . 19614 1 578 . 1 1 49 49 LYS HA H 1 4.336 0.008 . . . . . A 74 LYS HA . 19614 1 579 . 1 1 49 49 LYS HB2 H 1 1.764 0.000 . . . . . A 74 LYS HB2 . 19614 1 580 . 1 1 49 49 LYS HB3 H 1 1.764 0.000 . . . . . A 74 LYS HB3 . 19614 1 581 . 1 1 49 49 LYS HG2 H 1 1.362 0.014 . . . . . A 74 LYS HG2 . 19614 1 582 . 1 1 49 49 LYS HG3 H 1 1.362 0.014 . . . . . A 74 LYS HG3 . 19614 1 583 . 1 1 49 49 LYS HD2 H 1 1.643 0.007 . . . . . A 74 LYS HD2 . 19614 1 584 . 1 1 49 49 LYS HD3 H 1 1.643 0.007 . . . . . A 74 LYS HD3 . 19614 1 585 . 1 1 49 49 LYS HE2 H 1 2.938 0.013 . . . . . A 74 LYS HE2 . 19614 1 586 . 1 1 49 49 LYS HE3 H 1 2.938 0.013 . . . . . A 74 LYS HE3 . 19614 1 587 . 1 1 49 49 LYS C C 13 175.929 0.042 . . . . . A 74 LYS C . 19614 1 588 . 1 1 49 49 LYS CA C 13 55.918 0.164 . . . . . A 74 LYS CA . 19614 1 589 . 1 1 49 49 LYS CB C 13 32.143 0.139 . . . . . A 74 LYS CB . 19614 1 590 . 1 1 49 49 LYS CG C 13 24.602 0.000 . . . . . A 74 LYS CG . 19614 1 591 . 1 1 49 49 LYS CD C 13 28.974 0.075 . . . . . A 74 LYS CD . 19614 1 592 . 1 1 49 49 LYS CE C 13 42.197 0.000 . . . . . A 74 LYS CE . 19614 1 593 . 1 1 49 49 LYS N N 15 122.545 0.068 . . . . . A 74 LYS N . 19614 1 594 . 1 1 50 50 LEU H H 1 7.943 0.008 . . . . . A 75 LEU H . 19614 1 595 . 1 1 50 50 LEU HA H 1 4.402 0.022 . . . . . A 75 LEU HA . 19614 1 596 . 1 1 50 50 LEU HB2 H 1 1.373 0.009 . . . . . A 75 LEU HB2 . 19614 1 597 . 1 1 50 50 LEU HB3 H 1 1.608 0.008 . . . . . A 75 LEU HB3 . 19614 1 598 . 1 1 50 50 LEU HG H 1 1.644 0.010 . . . . . A 75 LEU HG . 19614 1 599 . 1 1 50 50 LEU HD11 H 1 0.843 0.007 . . . . . A 75 LEU HD11 . 19614 1 600 . 1 1 50 50 LEU HD12 H 1 0.843 0.007 . . . . . A 75 LEU HD12 . 19614 1 601 . 1 1 50 50 LEU HD13 H 1 0.843 0.007 . . . . . A 75 LEU HD13 . 19614 1 602 . 1 1 50 50 LEU HD21 H 1 0.809 0.007 . . . . . A 75 LEU HD21 . 19614 1 603 . 1 1 50 50 LEU HD22 H 1 0.809 0.007 . . . . . A 75 LEU HD22 . 19614 1 604 . 1 1 50 50 LEU HD23 H 1 0.809 0.007 . . . . . A 75 LEU HD23 . 19614 1 605 . 1 1 50 50 LEU C C 13 176.575 0.008 . . . . . A 75 LEU C . 19614 1 606 . 1 1 50 50 LEU CA C 13 54.697 0.130 . . . . . A 75 LEU CA . 19614 1 607 . 1 1 50 50 LEU CB C 13 43.481 0.097 . . . . . A 75 LEU CB . 19614 1 608 . 1 1 50 50 LEU CG C 13 26.652 0.166 . . . . . A 75 LEU CG . 19614 1 609 . 1 1 50 50 LEU CD1 C 13 26.206 0.101 . . . . . A 75 LEU CD1 . 19614 1 610 . 1 1 50 50 LEU CD2 C 13 23.968 0.106 . . . . . A 75 LEU CD2 . 19614 1 611 . 1 1 50 50 LEU N N 15 123.393 0.022 . . . . . A 75 LEU N . 19614 1 612 . 1 1 51 51 GLU H H 1 9.136 0.005 . . . . . A 76 GLU H . 19614 1 613 . 1 1 51 51 GLU HA H 1 4.551 0.004 . . . . . A 76 GLU HA . 19614 1 614 . 1 1 51 51 GLU HB2 H 1 2.008 0.011 . . . . . A 76 GLU HB2 . 19614 1 615 . 1 1 51 51 GLU HB3 H 1 2.356 0.003 . . . . . A 76 GLU HB3 . 19614 1 616 . 1 1 51 51 GLU HG2 H 1 2.344 0.011 . . . . . A 76 GLU HG2 . 19614 1 617 . 1 1 51 51 GLU HG3 H 1 2.379 0.007 . . . . . A 76 GLU HG3 . 19614 1 618 . 1 1 51 51 GLU C C 13 177.445 0.005 . . . . . A 76 GLU C . 19614 1 619 . 1 1 51 51 GLU CA C 13 54.962 0.075 . . . . . A 76 GLU CA . 19614 1 620 . 1 1 51 51 GLU CB C 13 31.245 0.098 . . . . . A 76 GLU CB . 19614 1 621 . 1 1 51 51 GLU CG C 13 36.501 0.029 . . . . . A 76 GLU CG . 19614 1 622 . 1 1 51 51 GLU N N 15 123.357 0.038 . . . . . A 76 GLU N . 19614 1 623 . 1 1 52 52 LYS H H 1 8.858 0.006 . . . . . A 77 LYS H . 19614 1 624 . 1 1 52 52 LYS HA H 1 3.830 0.009 . . . . . A 77 LYS HA . 19614 1 625 . 1 1 52 52 LYS HB2 H 1 1.863 0.005 . . . . . A 77 LYS HB2 . 19614 1 626 . 1 1 52 52 LYS HB3 H 1 1.863 0.005 . . . . . A 77 LYS HB3 . 19614 1 627 . 1 1 52 52 LYS HG2 H 1 1.340 0.009 . . . . . A 77 LYS HG2 . 19614 1 628 . 1 1 52 52 LYS HG3 H 1 1.527 0.002 . . . . . A 77 LYS HG3 . 19614 1 629 . 1 1 52 52 LYS HD2 H 1 1.707 0.017 . . . . . A 77 LYS HD2 . 19614 1 630 . 1 1 52 52 LYS HD3 H 1 1.707 0.017 . . . . . A 77 LYS HD3 . 19614 1 631 . 1 1 52 52 LYS HE2 H 1 2.934 0.014 . . . . . A 77 LYS HE2 . 19614 1 632 . 1 1 52 52 LYS HE3 H 1 2.934 0.014 . . . . . A 77 LYS HE3 . 19614 1 633 . 1 1 52 52 LYS C C 13 177.908 0.025 . . . . . A 77 LYS C . 19614 1 634 . 1 1 52 52 LYS CA C 13 61.105 0.145 . . . . . A 77 LYS CA . 19614 1 635 . 1 1 52 52 LYS CB C 13 32.423 0.199 . . . . . A 77 LYS CB . 19614 1 636 . 1 1 52 52 LYS CG C 13 24.964 0.132 . . . . . A 77 LYS CG . 19614 1 637 . 1 1 52 52 LYS CD C 13 29.430 0.102 . . . . . A 77 LYS CD . 19614 1 638 . 1 1 52 52 LYS CE C 13 41.891 0.194 . . . . . A 77 LYS CE . 19614 1 639 . 1 1 52 52 LYS N N 15 122.655 0.037 . . . . . A 77 LYS N . 19614 1 640 . 1 1 53 53 ALA H H 1 9.131 0.004 . . . . . A 78 ALA H . 19614 1 641 . 1 1 53 53 ALA HA H 1 3.892 0.006 . . . . . A 78 ALA HA . 19614 1 642 . 1 1 53 53 ALA HB1 H 1 1.278 0.014 . . . . . A 78 ALA HB1 . 19614 1 643 . 1 1 53 53 ALA HB2 H 1 1.278 0.014 . . . . . A 78 ALA HB2 . 19614 1 644 . 1 1 53 53 ALA HB3 H 1 1.278 0.014 . . . . . A 78 ALA HB3 . 19614 1 645 . 1 1 53 53 ALA C C 13 179.758 0.012 . . . . . A 78 ALA C . 19614 1 646 . 1 1 53 53 ALA CA C 13 55.456 0.111 . . . . . A 78 ALA CA . 19614 1 647 . 1 1 53 53 ALA CB C 13 17.839 0.097 . . . . . A 78 ALA CB . 19614 1 648 . 1 1 53 53 ALA N N 15 118.008 0.054 . . . . . A 78 ALA N . 19614 1 649 . 1 1 54 54 ASP H H 1 7.052 0.010 . . . . . A 79 ASP H . 19614 1 650 . 1 1 54 54 ASP HA H 1 4.346 0.012 . . . . . A 79 ASP HA . 19614 1 651 . 1 1 54 54 ASP HB2 H 1 2.699 0.009 . . . . . A 79 ASP HB2 . 19614 1 652 . 1 1 54 54 ASP HB3 H 1 2.902 0.006 . . . . . A 79 ASP HB3 . 19614 1 653 . 1 1 54 54 ASP C C 13 178.104 0.000 . . . . . A 79 ASP C . 19614 1 654 . 1 1 54 54 ASP CA C 13 57.088 0.182 . . . . . A 79 ASP CA . 19614 1 655 . 1 1 54 54 ASP CB C 13 41.728 0.141 . . . . . A 79 ASP CB . 19614 1 656 . 1 1 54 54 ASP N N 15 114.744 0.044 . . . . . A 79 ASP N . 19614 1 657 . 1 1 55 55 ILE H H 1 7.983 0.007 . . . . . A 80 ILE H . 19614 1 658 . 1 1 55 55 ILE HA H 1 3.592 0.007 . . . . . A 80 ILE HA . 19614 1 659 . 1 1 55 55 ILE HB H 1 1.989 0.008 . . . . . A 80 ILE HB . 19614 1 660 . 1 1 55 55 ILE HG12 H 1 0.984 0.010 . . . . . A 80 ILE HG12 . 19614 1 661 . 1 1 55 55 ILE HG13 H 1 0.984 0.010 . . . . . A 80 ILE HG13 . 19614 1 662 . 1 1 55 55 ILE HG21 H 1 0.758 0.007 . . . . . A 80 ILE HG21 . 19614 1 663 . 1 1 55 55 ILE HG22 H 1 0.758 0.007 . . . . . A 80 ILE HG22 . 19614 1 664 . 1 1 55 55 ILE HG23 H 1 0.758 0.007 . . . . . A 80 ILE HG23 . 19614 1 665 . 1 1 55 55 ILE HD11 H 1 0.750 0.004 . . . . . A 80 ILE HD11 . 19614 1 666 . 1 1 55 55 ILE HD12 H 1 0.750 0.004 . . . . . A 80 ILE HD12 . 19614 1 667 . 1 1 55 55 ILE HD13 H 1 0.750 0.004 . . . . . A 80 ILE HD13 . 19614 1 668 . 1 1 55 55 ILE C C 13 179.567 0.000 . . . . . A 80 ILE C . 19614 1 669 . 1 1 55 55 ILE CA C 13 64.201 0.098 . . . . . A 80 ILE CA . 19614 1 670 . 1 1 55 55 ILE CB C 13 37.514 0.125 . . . . . A 80 ILE CB . 19614 1 671 . 1 1 55 55 ILE CG1 C 13 28.992 0.091 . . . . . A 80 ILE CG1 . 19614 1 672 . 1 1 55 55 ILE CG2 C 13 17.262 0.034 . . . . . A 80 ILE CG2 . 19614 1 673 . 1 1 55 55 ILE CD1 C 13 12.868 0.075 . . . . . A 80 ILE CD1 . 19614 1 674 . 1 1 55 55 ILE N N 15 119.398 0.062 . . . . . A 80 ILE N . 19614 1 675 . 1 1 56 56 LEU H H 1 8.171 0.010 . . . . . A 81 LEU H . 19614 1 676 . 1 1 56 56 LEU HA H 1 3.931 0.019 . . . . . A 81 LEU HA . 19614 1 677 . 1 1 56 56 LEU HD11 H 1 0.861 0.020 . . . . . A 81 LEU HD11 . 19614 1 678 . 1 1 56 56 LEU HD12 H 1 0.861 0.020 . . . . . A 81 LEU HD12 . 19614 1 679 . 1 1 56 56 LEU HD13 H 1 0.861 0.020 . . . . . A 81 LEU HD13 . 19614 1 680 . 1 1 56 56 LEU HD21 H 1 0.681 0.008 . . . . . A 81 LEU HD21 . 19614 1 681 . 1 1 56 56 LEU HD22 H 1 0.681 0.008 . . . . . A 81 LEU HD22 . 19614 1 682 . 1 1 56 56 LEU HD23 H 1 0.681 0.008 . . . . . A 81 LEU HD23 . 19614 1 683 . 1 1 56 56 LEU C C 13 178.312 0.000 . . . . . A 81 LEU C . 19614 1 684 . 1 1 56 56 LEU CA C 13 58.588 0.039 . . . . . A 81 LEU CA . 19614 1 685 . 1 1 56 56 LEU CB C 13 41.727 0.113 . . . . . A 81 LEU CB . 19614 1 686 . 1 1 56 56 LEU CD1 C 13 26.548 0.142 . . . . . A 81 LEU CD1 . 19614 1 687 . 1 1 56 56 LEU CD2 C 13 22.806 0.048 . . . . . A 81 LEU CD2 . 19614 1 688 . 1 1 56 56 LEU N N 15 120.930 0.037 . . . . . A 81 LEU N . 19614 1 689 . 1 1 57 57 GLU H H 1 7.984 0.010 . . . . . A 82 GLU H . 19614 1 690 . 1 1 57 57 GLU HA H 1 3.917 0.008 . . . . . A 82 GLU HA . 19614 1 691 . 1 1 57 57 GLU HB2 H 1 1.994 0.009 . . . . . A 82 GLU HB2 . 19614 1 692 . 1 1 57 57 GLU HB3 H 1 2.265 0.015 . . . . . A 82 GLU HB3 . 19614 1 693 . 1 1 57 57 GLU HG2 H 1 2.297 0.008 . . . . . A 82 GLU HG2 . 19614 1 694 . 1 1 57 57 GLU HG3 H 1 2.543 0.009 . . . . . A 82 GLU HG3 . 19614 1 695 . 1 1 57 57 GLU C C 13 180.151 0.002 . . . . . A 82 GLU C . 19614 1 696 . 1 1 57 57 GLU CA C 13 59.864 0.101 . . . . . A 82 GLU CA . 19614 1 697 . 1 1 57 57 GLU CB C 13 29.364 0.150 . . . . . A 82 GLU CB . 19614 1 698 . 1 1 57 57 GLU CG C 13 37.035 0.110 . . . . . A 82 GLU CG . 19614 1 699 . 1 1 57 57 GLU N N 15 119.314 0.076 . . . . . A 82 GLU N . 19614 1 700 . 1 1 58 58 MET H H 1 8.639 0.005 . . . . . A 83 MET H . 19614 1 701 . 1 1 58 58 MET HA H 1 4.033 0.007 . . . . . A 83 MET HA . 19614 1 702 . 1 1 58 58 MET HG2 H 1 2.545 0.009 . . . . . A 83 MET HG2 . 19614 1 703 . 1 1 58 58 MET HG3 H 1 2.713 0.005 . . . . . A 83 MET HG3 . 19614 1 704 . 1 1 58 58 MET C C 13 178.488 0.017 . . . . . A 83 MET C . 19614 1 705 . 1 1 58 58 MET CA C 13 59.083 0.045 . . . . . A 83 MET CA . 19614 1 706 . 1 1 58 58 MET CB C 13 33.883 0.146 . . . . . A 83 MET CB . 19614 1 707 . 1 1 58 58 MET CG C 13 32.422 0.080 . . . . . A 83 MET CG . 19614 1 708 . 1 1 58 58 MET N N 15 118.669 0.031 . . . . . A 83 MET N . 19614 1 709 . 1 1 59 59 THR H H 1 7.946 0.007 . . . . . A 84 THR H . 19614 1 710 . 1 1 59 59 THR HA H 1 3.853 0.014 . . . . . A 84 THR HA . 19614 1 711 . 1 1 59 59 THR HB H 1 4.448 0.015 . . . . . A 84 THR HB . 19614 1 712 . 1 1 59 59 THR HG21 H 1 1.169 0.006 . . . . . A 84 THR HG21 . 19614 1 713 . 1 1 59 59 THR HG22 H 1 1.169 0.006 . . . . . A 84 THR HG22 . 19614 1 714 . 1 1 59 59 THR HG23 H 1 1.169 0.006 . . . . . A 84 THR HG23 . 19614 1 715 . 1 1 59 59 THR C C 13 175.659 0.000 . . . . . A 84 THR C . 19614 1 716 . 1 1 59 59 THR CA C 13 68.029 0.095 . . . . . A 84 THR CA . 19614 1 717 . 1 1 59 59 THR CB C 13 67.595 0.122 . . . . . A 84 THR CB . 19614 1 718 . 1 1 59 59 THR CG2 C 13 22.295 0.136 . . . . . A 84 THR CG2 . 19614 1 719 . 1 1 59 59 THR N N 15 118.733 0.051 . . . . . A 84 THR N . 19614 1 720 . 1 1 60 60 VAL H H 1 8.089 0.011 . . . . . A 85 VAL H . 19614 1 721 . 1 1 60 60 VAL HA H 1 3.311 0.005 . . . . . A 85 VAL HA . 19614 1 722 . 1 1 60 60 VAL HB H 1 2.165 0.007 . . . . . A 85 VAL HB . 19614 1 723 . 1 1 60 60 VAL HG11 H 1 1.095 0.006 . . . . . A 85 VAL HG11 . 19614 1 724 . 1 1 60 60 VAL HG12 H 1 1.095 0.006 . . . . . A 85 VAL HG12 . 19614 1 725 . 1 1 60 60 VAL HG13 H 1 1.095 0.006 . . . . . A 85 VAL HG13 . 19614 1 726 . 1 1 60 60 VAL HG21 H 1 0.865 0.007 . . . . . A 85 VAL HG21 . 19614 1 727 . 1 1 60 60 VAL HG22 H 1 0.865 0.007 . . . . . A 85 VAL HG22 . 19614 1 728 . 1 1 60 60 VAL HG23 H 1 0.865 0.007 . . . . . A 85 VAL HG23 . 19614 1 729 . 1 1 60 60 VAL C C 13 177.078 0.000 . . . . . A 85 VAL C . 19614 1 730 . 1 1 60 60 VAL CA C 13 67.381 0.631 . . . . . A 85 VAL CA . 19614 1 731 . 1 1 60 60 VAL CB C 13 32.168 0.149 . . . . . A 85 VAL CB . 19614 1 732 . 1 1 60 60 VAL CG1 C 13 24.532 0.050 . . . . . A 85 VAL CG1 . 19614 1 733 . 1 1 60 60 VAL CG2 C 13 20.997 0.071 . . . . . A 85 VAL CG2 . 19614 1 734 . 1 1 60 60 VAL N N 15 122.083 0.072 . . . . . A 85 VAL N . 19614 1 735 . 1 1 61 61 LYS H H 1 7.785 0.010 . . . . . A 86 LYS H . 19614 1 736 . 1 1 61 61 LYS HA H 1 3.835 0.009 . . . . . A 86 LYS HA . 19614 1 737 . 1 1 61 61 LYS HB2 H 1 1.891 0.007 . . . . . A 86 LYS HB2 . 19614 1 738 . 1 1 61 61 LYS HB3 H 1 1.891 0.007 . . . . . A 86 LYS HB3 . 19614 1 739 . 1 1 61 61 LYS HG2 H 1 1.408 0.004 . . . . . A 86 LYS HG2 . 19614 1 740 . 1 1 61 61 LYS HG3 H 1 1.568 0.006 . . . . . A 86 LYS HG3 . 19614 1 741 . 1 1 61 61 LYS HD2 H 1 1.676 0.006 . . . . . A 86 LYS HD2 . 19614 1 742 . 1 1 61 61 LYS HD3 H 1 1.676 0.006 . . . . . A 86 LYS HD3 . 19614 1 743 . 1 1 61 61 LYS HE2 H 1 2.945 0.005 . . . . . A 86 LYS HE2 . 19614 1 744 . 1 1 61 61 LYS HE3 H 1 2.945 0.005 . . . . . A 86 LYS HE3 . 19614 1 745 . 1 1 61 61 LYS C C 13 178.617 0.003 . . . . . A 86 LYS C . 19614 1 746 . 1 1 61 61 LYS CA C 13 60.014 0.133 . . . . . A 86 LYS CA . 19614 1 747 . 1 1 61 61 LYS CB C 13 32.336 0.129 . . . . . A 86 LYS CB . 19614 1 748 . 1 1 61 61 LYS CG C 13 25.447 0.107 . . . . . A 86 LYS CG . 19614 1 749 . 1 1 61 61 LYS CD C 13 29.410 0.098 . . . . . A 86 LYS CD . 19614 1 750 . 1 1 61 61 LYS N N 15 117.409 0.052 . . . . . A 86 LYS N . 19614 1 751 . 1 1 62 62 HIS H H 1 8.055 0.008 . . . . . A 87 HIS H . 19614 1 752 . 1 1 62 62 HIS HA H 1 4.513 0.012 . . . . . A 87 HIS HA . 19614 1 753 . 1 1 62 62 HIS HB2 H 1 3.102 0.011 . . . . . A 87 HIS HB2 . 19614 1 754 . 1 1 62 62 HIS HB3 H 1 3.177 0.013 . . . . . A 87 HIS HB3 . 19614 1 755 . 1 1 62 62 HIS C C 13 177.356 0.020 . . . . . A 87 HIS C . 19614 1 756 . 1 1 62 62 HIS CA C 13 59.368 0.111 . . . . . A 87 HIS CA . 19614 1 757 . 1 1 62 62 HIS CB C 13 32.047 0.065 . . . . . A 87 HIS CB . 19614 1 758 . 1 1 62 62 HIS N N 15 118.731 0.039 . . . . . A 87 HIS N . 19614 1 759 . 1 1 63 63 LEU H H 1 8.450 0.005 . . . . . A 88 LEU H . 19614 1 760 . 1 1 63 63 LEU HD11 H 1 0.858 0.008 . . . . . A 88 LEU HD11 . 19614 1 761 . 1 1 63 63 LEU HD12 H 1 0.858 0.008 . . . . . A 88 LEU HD12 . 19614 1 762 . 1 1 63 63 LEU HD13 H 1 0.858 0.008 . . . . . A 88 LEU HD13 . 19614 1 763 . 1 1 63 63 LEU HD21 H 1 0.858 0.008 . . . . . A 88 LEU HD21 . 19614 1 764 . 1 1 63 63 LEU HD22 H 1 0.858 0.008 . . . . . A 88 LEU HD22 . 19614 1 765 . 1 1 63 63 LEU HD23 H 1 0.858 0.008 . . . . . A 88 LEU HD23 . 19614 1 766 . 1 1 63 63 LEU C C 13 180.158 0.000 . . . . . A 88 LEU C . 19614 1 767 . 1 1 63 63 LEU CA C 13 57.927 0.075 . . . . . A 88 LEU CA . 19614 1 768 . 1 1 63 63 LEU CB C 13 41.748 0.000 . . . . . A 88 LEU CB . 19614 1 769 . 1 1 63 63 LEU N N 15 117.189 0.041 . . . . . A 88 LEU N . 19614 1 770 . 1 1 64 64 ARG H H 1 8.616 0.006 . . . . . A 89 ARG H . 19614 1 771 . 1 1 64 64 ARG HA H 1 3.901 0.011 . . . . . A 89 ARG HA . 19614 1 772 . 1 1 64 64 ARG HB2 H 1 1.861 0.004 . . . . . A 89 ARG HB2 . 19614 1 773 . 1 1 64 64 ARG HB3 H 1 1.861 0.004 . . . . . A 89 ARG HB3 . 19614 1 774 . 1 1 64 64 ARG HD2 H 1 3.122 0.010 . . . . . A 89 ARG HD2 . 19614 1 775 . 1 1 64 64 ARG HD3 H 1 3.122 0.010 . . . . . A 89 ARG HD3 . 19614 1 776 . 1 1 64 64 ARG C C 13 178.875 0.009 . . . . . A 89 ARG C . 19614 1 777 . 1 1 64 64 ARG CA C 13 59.667 0.171 . . . . . A 89 ARG CA . 19614 1 778 . 1 1 64 64 ARG CB C 13 29.542 0.170 . . . . . A 89 ARG CB . 19614 1 779 . 1 1 64 64 ARG CG C 13 28.348 0.000 . . . . . A 89 ARG CG . 19614 1 780 . 1 1 64 64 ARG CD C 13 43.420 0.058 . . . . . A 89 ARG CD . 19614 1 781 . 1 1 64 64 ARG N N 15 119.542 0.050 . . . . . A 89 ARG N . 19614 1 782 . 1 1 65 65 ASN H H 1 7.935 0.006 . . . . . A 90 ASN H . 19614 1 783 . 1 1 65 65 ASN HA H 1 4.478 0.008 . . . . . A 90 ASN HA . 19614 1 784 . 1 1 65 65 ASN HB2 H 1 2.850 0.004 . . . . . A 90 ASN HB2 . 19614 1 785 . 1 1 65 65 ASN HB3 H 1 3.036 0.006 . . . . . A 90 ASN HB3 . 19614 1 786 . 1 1 65 65 ASN HD21 H 1 7.931 0.001 . . . . . A 90 ASN HD21 . 19614 1 787 . 1 1 65 65 ASN HD22 H 1 6.870 0.002 . . . . . A 90 ASN HD22 . 19614 1 788 . 1 1 65 65 ASN C C 13 177.824 0.023 . . . . . A 90 ASN C . 19614 1 789 . 1 1 65 65 ASN CA C 13 55.393 0.111 . . . . . A 90 ASN CA . 19614 1 790 . 1 1 65 65 ASN CB C 13 37.874 0.110 . . . . . A 90 ASN CB . 19614 1 791 . 1 1 65 65 ASN N N 15 118.676 0.034 . . . . . A 90 ASN N . 19614 1 792 . 1 1 65 65 ASN ND2 N 15 112.593 0.024 . . . . . A 90 ASN ND2 . 19614 1 793 . 1 1 66 66 LEU H H 1 7.890 0.008 . . . . . A 91 LEU H . 19614 1 794 . 1 1 66 66 LEU HA H 1 4.045 0.007 . . . . . A 91 LEU HA . 19614 1 795 . 1 1 66 66 LEU HB2 H 1 1.556 0.014 . . . . . A 91 LEU HB2 . 19614 1 796 . 1 1 66 66 LEU HB3 H 1 1.696 0.009 . . . . . A 91 LEU HB3 . 19614 1 797 . 1 1 66 66 LEU HG H 1 1.393 0.006 . . . . . A 91 LEU HG . 19614 1 798 . 1 1 66 66 LEU HD11 H 1 0.585 0.001 . . . . . A 91 LEU HD11 . 19614 1 799 . 1 1 66 66 LEU HD12 H 1 0.585 0.001 . . . . . A 91 LEU HD12 . 19614 1 800 . 1 1 66 66 LEU HD13 H 1 0.585 0.001 . . . . . A 91 LEU HD13 . 19614 1 801 . 1 1 66 66 LEU HD21 H 1 0.682 0.004 . . . . . A 91 LEU HD21 . 19614 1 802 . 1 1 66 66 LEU HD22 H 1 0.682 0.004 . . . . . A 91 LEU HD22 . 19614 1 803 . 1 1 66 66 LEU HD23 H 1 0.682 0.004 . . . . . A 91 LEU HD23 . 19614 1 804 . 1 1 66 66 LEU C C 13 178.707 0.008 . . . . . A 91 LEU C . 19614 1 805 . 1 1 66 66 LEU CA C 13 56.705 0.135 . . . . . A 91 LEU CA . 19614 1 806 . 1 1 66 66 LEU CB C 13 41.918 0.113 . . . . . A 91 LEU CB . 19614 1 807 . 1 1 66 66 LEU CG C 13 26.145 0.023 . . . . . A 91 LEU CG . 19614 1 808 . 1 1 66 66 LEU CD1 C 13 25.472 0.064 . . . . . A 91 LEU CD1 . 19614 1 809 . 1 1 66 66 LEU CD2 C 13 22.386 0.075 . . . . . A 91 LEU CD2 . 19614 1 810 . 1 1 66 66 LEU N N 15 119.885 0.036 . . . . . A 91 LEU N . 19614 1 811 . 1 1 67 67 GLN H H 1 7.683 0.009 . . . . . A 92 GLN H . 19614 1 812 . 1 1 67 67 GLN HA H 1 4.149 0.008 . . . . . A 92 GLN HA . 19614 1 813 . 1 1 67 67 GLN HB2 H 1 2.081 0.003 . . . . . A 92 GLN HB2 . 19614 1 814 . 1 1 67 67 GLN HB3 H 1 2.152 0.002 . . . . . A 92 GLN HB3 . 19614 1 815 . 1 1 67 67 GLN HG2 H 1 2.315 0.005 . . . . . A 92 GLN HG2 . 19614 1 816 . 1 1 67 67 GLN HG3 H 1 2.493 0.006 . . . . . A 92 GLN HG3 . 19614 1 817 . 1 1 67 67 GLN HE21 H 1 6.872 0.003 . . . . . A 92 GLN HE21 . 19614 1 818 . 1 1 67 67 GLN HE22 H 1 7.532 0.002 . . . . . A 92 GLN HE22 . 19614 1 819 . 1 1 67 67 GLN C C 13 176.562 0.008 . . . . . A 92 GLN C . 19614 1 820 . 1 1 67 67 GLN CA C 13 57.055 0.104 . . . . . A 92 GLN CA . 19614 1 821 . 1 1 67 67 GLN CB C 13 28.937 0.112 . . . . . A 92 GLN CB . 19614 1 822 . 1 1 67 67 GLN CG C 13 34.182 0.013 . . . . . A 92 GLN CG . 19614 1 823 . 1 1 67 67 GLN N N 15 118.288 0.029 . . . . . A 92 GLN N . 19614 1 824 . 1 1 67 67 GLN NE2 N 15 111.598 0.027 . . . . . A 92 GLN NE2 . 19614 1 825 . 1 1 68 68 ARG H H 1 7.786 0.005 . . . . . A 93 ARG H . 19614 1 826 . 1 1 68 68 ARG HA H 1 4.238 0.009 . . . . . A 93 ARG HA . 19614 1 827 . 1 1 68 68 ARG HB2 H 1 1.863 0.005 . . . . . A 93 ARG HB2 . 19614 1 828 . 1 1 68 68 ARG HB3 H 1 1.863 0.005 . . . . . A 93 ARG HB3 . 19614 1 829 . 1 1 68 68 ARG HG2 H 1 1.790 0.046 . . . . . A 93 ARG HG2 . 19614 1 830 . 1 1 68 68 ARG HG3 H 1 1.790 0.046 . . . . . A 93 ARG HG3 . 19614 1 831 . 1 1 68 68 ARG HD2 H 1 3.194 0.005 . . . . . A 93 ARG HD2 . 19614 1 832 . 1 1 68 68 ARG HD3 H 1 3.194 0.005 . . . . . A 93 ARG HD3 . 19614 1 833 . 1 1 68 68 ARG C C 13 175.928 0.014 . . . . . A 93 ARG C . 19614 1 834 . 1 1 68 68 ARG CA C 13 56.467 0.092 . . . . . A 93 ARG CA . 19614 1 835 . 1 1 68 68 ARG CB C 13 30.459 0.116 . . . . . A 93 ARG CB . 19614 1 836 . 1 1 68 68 ARG CG C 13 27.092 0.000 . . . . . A 93 ARG CG . 19614 1 837 . 1 1 68 68 ARG CD C 13 43.397 0.028 . . . . . A 93 ARG CD . 19614 1 838 . 1 1 68 68 ARG N N 15 119.664 0.019 . . . . . A 93 ARG N . 19614 1 839 . 1 1 69 69 ALA H H 1 8.017 0.005 . . . . . A 94 ALA H . 19614 1 840 . 1 1 69 69 ALA HA H 1 4.308 0.012 . . . . . A 94 ALA HA . 19614 1 841 . 1 1 69 69 ALA HB1 H 1 1.386 0.006 . . . . . A 94 ALA HB1 . 19614 1 842 . 1 1 69 69 ALA HB2 H 1 1.386 0.006 . . . . . A 94 ALA HB2 . 19614 1 843 . 1 1 69 69 ALA HB3 H 1 1.386 0.006 . . . . . A 94 ALA HB3 . 19614 1 844 . 1 1 69 69 ALA C C 13 176.753 0.010 . . . . . A 94 ALA C . 19614 1 845 . 1 1 69 69 ALA CA C 13 52.465 0.118 . . . . . A 94 ALA CA . 19614 1 846 . 1 1 69 69 ALA CB C 13 19.023 0.072 . . . . . A 94 ALA CB . 19614 1 847 . 1 1 69 69 ALA N N 15 124.562 0.026 . . . . . A 94 ALA N . 19614 1 848 . 1 1 70 70 GLN H H 1 7.860 0.005 . . . . . A 95 GLN H . 19614 1 849 . 1 1 70 70 GLN HA H 1 4.102 0.008 . . . . . A 95 GLN HA . 19614 1 850 . 1 1 70 70 GLN HB2 H 1 1.912 0.006 . . . . . A 95 GLN HB2 . 19614 1 851 . 1 1 70 70 GLN HB3 H 1 1.912 0.006 . . . . . A 95 GLN HB3 . 19614 1 852 . 1 1 70 70 GLN HG2 H 1 2.097 0.004 . . . . . A 95 GLN HG2 . 19614 1 853 . 1 1 70 70 GLN HG3 H 1 2.309 0.005 . . . . . A 95 GLN HG3 . 19614 1 854 . 1 1 70 70 GLN HE21 H 1 6.858 0.006 . . . . . A 95 GLN HE21 . 19614 1 855 . 1 1 70 70 GLN HE22 H 1 7.561 0.003 . . . . . A 95 GLN HE22 . 19614 1 856 . 1 1 70 70 GLN C C 13 180.615 0.000 . . . . . A 95 GLN C . 19614 1 857 . 1 1 70 70 GLN CA C 13 57.324 0.054 . . . . . A 95 GLN CA . 19614 1 858 . 1 1 70 70 GLN CB C 13 30.359 0.035 . . . . . A 95 GLN CB . 19614 1 859 . 1 1 70 70 GLN CG C 13 34.330 0.000 . . . . . A 95 GLN CG . 19614 1 860 . 1 1 70 70 GLN N N 15 124.520 0.018 . . . . . A 95 GLN N . 19614 1 861 . 1 1 70 70 GLN NE2 N 15 112.689 0.070 . . . . . A 95 GLN NE2 . 19614 1 862 . 2 1 1 1 MET HA H 1 4.044 0.006 . . . . . . 126 MET HA . 19614 1 863 . 2 1 1 1 MET HB2 H 1 2.097 0.004 . . . . . . 126 MET QB . 19614 1 864 . 2 1 1 1 MET HB3 H 1 2.097 0.004 . . . . . . 126 MET QB . 19614 1 865 . 2 1 1 1 MET HG2 H 1 2.561 0.007 . . . . . . 126 MET QG . 19614 1 866 . 2 1 1 1 MET HG3 H 1 2.561 0.007 . . . . . . 126 MET QG . 19614 1 867 . 2 1 1 1 MET CA C 13 54.863 0.121 . . . . . . 126 MET CA . 19614 1 868 . 2 1 1 1 MET CB C 13 33.161 0.075 . . . . . . 126 MET CB . 19614 1 869 . 2 1 1 1 MET CG C 13 30.760 0.047 . . . . . . 126 MET CG . 19614 1 870 . 2 1 2 2 LYS HA H 1 4.626 0.006 . . . . . . 127 LYS HA . 19614 1 871 . 2 1 2 2 LYS HB2 H 1 1.798 0.006 . . . . . . 127 LYS HB2 . 19614 1 872 . 2 1 2 2 LYS HB3 H 1 1.726 0.003 . . . . . . 127 LYS HB3 . 19614 1 873 . 2 1 2 2 LYS HG2 H 1 1.471 0.006 . . . . . . 127 LYS QG . 19614 1 874 . 2 1 2 2 LYS HG3 H 1 1.471 0.006 . . . . . . 127 LYS QG . 19614 1 875 . 2 1 2 2 LYS HD2 H 1 1.675 0.006 . . . . . . 127 LYS QD . 19614 1 876 . 2 1 2 2 LYS HD3 H 1 1.675 0.006 . . . . . . 127 LYS QD . 19614 1 877 . 2 1 2 2 LYS HE2 H 1 2.967 0.004 . . . . . . 127 LYS QE . 19614 1 878 . 2 1 2 2 LYS HE3 H 1 2.967 0.004 . . . . . . 127 LYS QE . 19614 1 879 . 2 1 2 2 LYS CA C 13 54.410 0.043 . . . . . . 127 LYS CA . 19614 1 880 . 2 1 2 2 LYS CB C 13 32.346 0.068 . . . . . . 127 LYS CB . 19614 1 881 . 2 1 2 2 LYS CG C 13 24.615 0.059 . . . . . . 127 LYS CG . 19614 1 882 . 2 1 2 2 LYS CD C 13 29.107 0.000 . . . . . . 127 LYS CD . 19614 1 883 . 2 1 2 2 LYS CE C 13 41.755 0.020 . . . . . . 127 LYS CE . 19614 1 884 . 2 1 3 3 PRO HA H 1 4.402 0.006 . . . . . . 128 PRO HA . 19614 1 885 . 2 1 3 3 PRO HB2 H 1 2.283 0.009 . . . . . . 128 PRO HB2 . 19614 1 886 . 2 1 3 3 PRO HB3 H 1 1.859 0.005 . . . . . . 128 PRO HB3 . 19614 1 887 . 2 1 3 3 PRO HG2 H 1 2.000 0.004 . . . . . . 128 PRO QG . 19614 1 888 . 2 1 3 3 PRO HG3 H 1 2.000 0.004 . . . . . . 128 PRO QG . 19614 1 889 . 2 1 3 3 PRO HD2 H 1 3.852 0.006 . . . . . . 128 PRO HD2 . 19614 1 890 . 2 1 3 3 PRO HD3 H 1 3.628 0.005 . . . . . . 128 PRO HD3 . 19614 1 891 . 2 1 3 3 PRO C C 13 176.815 0.009 . . . . . . 128 PRO C . 19614 1 892 . 2 1 3 3 PRO CA C 13 62.876 0.057 . . . . . . 128 PRO CA . 19614 1 893 . 2 1 3 3 PRO CB C 13 32.162 0.077 . . . . . . 128 PRO CB . 19614 1 894 . 2 1 3 3 PRO CG C 13 27.426 0.069 . . . . . . 128 PRO CG . 19614 1 895 . 2 1 3 3 PRO CD C 13 50.721 0.034 . . . . . . 128 PRO CD . 19614 1 896 . 2 1 4 4 LYS H H 1 8.586 0.005 . . . . . . 129 LYS H . 19614 1 897 . 2 1 4 4 LYS HA H 1 4.297 0.006 . . . . . . 129 LYS HA . 19614 1 898 . 2 1 4 4 LYS HB2 H 1 1.797 0.009 . . . . . . 129 LYS HB2 . 19614 1 899 . 2 1 4 4 LYS HB3 H 1 1.741 0.006 . . . . . . 129 LYS HB3 . 19614 1 900 . 2 1 4 4 LYS HG2 H 1 1.475 0.005 . . . . . . 129 LYS HG2 . 19614 1 901 . 2 1 4 4 LYS HG3 H 1 1.415 0.005 . . . . . . 129 LYS HG3 . 19614 1 902 . 2 1 4 4 LYS HD2 H 1 1.665 0.005 . . . . . . 129 LYS QD . 19614 1 903 . 2 1 4 4 LYS HD3 H 1 1.665 0.005 . . . . . . 129 LYS QD . 19614 1 904 . 2 1 4 4 LYS HE2 H 1 2.962 0.004 . . . . . . 129 LYS QE . 19614 1 905 . 2 1 4 4 LYS HE3 H 1 2.962 0.004 . . . . . . 129 LYS QE . 19614 1 906 . 2 1 4 4 LYS C C 13 176.961 0.033 . . . . . . 129 LYS C . 19614 1 907 . 2 1 4 4 LYS CA C 13 56.463 0.048 . . . . . . 129 LYS CA . 19614 1 908 . 2 1 4 4 LYS CB C 13 32.816 0.112 . . . . . . 129 LYS CB . 19614 1 909 . 2 1 4 4 LYS CG C 13 24.816 0.069 . . . . . . 129 LYS CG . 19614 1 910 . 2 1 4 4 LYS CD C 13 29.035 0.047 . . . . . . 129 LYS CD . 19614 1 911 . 2 1 4 4 LYS CE C 13 41.807 0.096 . . . . . . 129 LYS CE . 19614 1 912 . 2 1 4 4 LYS N N 15 122.449 0.016 . . . . . . 129 LYS N . 19614 1 913 . 2 1 5 5 THR H H 1 8.219 0.007 . . . . . . 130 THR H . 19614 1 914 . 2 1 5 5 THR HA H 1 4.293 0.004 . . . . . . 130 THR HA . 19614 1 915 . 2 1 5 5 THR HB H 1 4.202 0.011 . . . . . . 130 THR HB . 19614 1 916 . 2 1 5 5 THR HG21 H 1 1.190 0.004 . . . . . . 130 THR HG2 . 19614 1 917 . 2 1 5 5 THR HG22 H 1 1.190 0.004 . . . . . . 130 THR HG2 . 19614 1 918 . 2 1 5 5 THR HG23 H 1 1.190 0.004 . . . . . . 130 THR HG2 . 19614 1 919 . 2 1 5 5 THR C C 13 174.354 0.003 . . . . . . 130 THR C . 19614 1 920 . 2 1 5 5 THR CA C 13 61.555 0.093 . . . . . . 130 THR CA . 19614 1 921 . 2 1 5 5 THR CB C 13 69.949 0.102 . . . . . . 130 THR CB . 19614 1 922 . 2 1 5 5 THR CG2 C 13 21.663 0.088 . . . . . . 130 THR CG2 . 19614 1 923 . 2 1 5 5 THR N N 15 115.695 0.016 . . . . . . 130 THR N . 19614 1 924 . 2 1 6 6 ALA H H 1 8.505 0.003 . . . . . . 131 ALA H . 19614 1 925 . 2 1 6 6 ALA HA H 1 4.312 0.005 . . . . . . 131 ALA HA . 19614 1 926 . 2 1 6 6 ALA HB1 H 1 1.388 0.005 . . . . . . 131 ALA MB . 19614 1 927 . 2 1 6 6 ALA HB2 H 1 1.388 0.005 . . . . . . 131 ALA MB . 19614 1 928 . 2 1 6 6 ALA HB3 H 1 1.388 0.005 . . . . . . 131 ALA MB . 19614 1 929 . 2 1 6 6 ALA C C 13 178.014 0.016 . . . . . . 131 ALA C . 19614 1 930 . 2 1 6 6 ALA CA C 13 52.781 0.151 . . . . . . 131 ALA CA . 19614 1 931 . 2 1 6 6 ALA CB C 13 19.125 0.137 . . . . . . 131 ALA CB . 19614 1 932 . 2 1 6 6 ALA N N 15 125.923 3.266 . . . . . . 131 ALA N . 19614 1 933 . 2 1 7 7 SER H H 1 8.365 0.003 . . . . . . 132 SER H . 19614 1 934 . 2 1 7 7 SER HA H 1 4.338 0.004 . . . . . . 132 SER HA . 19614 1 935 . 2 1 7 7 SER HB2 H 1 3.829 0.008 . . . . . . 132 SER HB2 . 19614 1 936 . 2 1 7 7 SER HB3 H 1 3.796 0.002 . . . . . . 132 SER HB3 . 19614 1 937 . 2 1 7 7 SER C C 13 174.783 0.005 . . . . . . 132 SER C . 19614 1 938 . 2 1 7 7 SER CA C 13 58.633 0.079 . . . . . . 132 SER CA . 19614 1 939 . 2 1 7 7 SER CB C 13 63.475 0.087 . . . . . . 132 SER CB . 19614 1 940 . 2 1 7 7 SER N N 15 115.249 0.019 . . . . . . 132 SER N . 19614 1 941 . 2 1 8 8 GLU H H 1 8.390 0.006 . . . . . . 133 GLU H . 19614 1 942 . 2 1 8 8 GLU HA H 1 4.205 0.004 . . . . . . 133 GLU HA . 19614 1 943 . 2 1 8 8 GLU HB2 H 1 1.950 0.004 . . . . . . 133 GLU HB2 . 19614 1 944 . 2 1 8 8 GLU HB3 H 1 1.891 0.009 . . . . . . 133 GLU HB3 . 19614 1 945 . 2 1 8 8 GLU HG2 H 1 2.192 0.004 . . . . . . 133 GLU HG2 . 19614 1 946 . 2 1 8 8 GLU HG3 H 1 2.136 0.006 . . . . . . 133 GLU HG3 . 19614 1 947 . 2 1 8 8 GLU C C 13 176.411 0.014 . . . . . . 133 GLU C . 19614 1 948 . 2 1 8 8 GLU CA C 13 56.678 0.044 . . . . . . 133 GLU CA . 19614 1 949 . 2 1 8 8 GLU CB C 13 30.241 0.093 . . . . . . 133 GLU CB . 19614 1 950 . 2 1 8 8 GLU CG C 13 36.172 0.043 . . . . . . 133 GLU CG . 19614 1 951 . 2 1 8 8 GLU N N 15 122.748 0.034 . . . . . . 133 GLU N . 19614 1 952 . 2 1 9 9 HIS H H 1 8.431 0.005 . . . . . . 134 HIS H . 19614 1 953 . 2 1 9 9 HIS HA H 1 4.605 0.011 . . . . . . 134 HIS HA . 19614 1 954 . 2 1 9 9 HIS HB2 H 1 3.160 0.004 . . . . . . 134 HIS HB2 . 19614 1 955 . 2 1 9 9 HIS HB3 H 1 3.072 0.006 . . . . . . 134 HIS HB3 . 19614 1 956 . 2 1 9 9 HIS C C 13 175.167 0.003 . . . . . . 134 HIS C . 19614 1 957 . 2 1 9 9 HIS CA C 13 56.035 0.082 . . . . . . 134 HIS CA . 19614 1 958 . 2 1 9 9 HIS CB C 13 29.938 0.072 . . . . . . 134 HIS CB . 19614 1 959 . 2 1 9 9 HIS N N 15 120.453 0.020 . . . . . . 134 HIS N . 19614 1 960 . 2 1 10 10 ARG H H 1 8.419 0.005 . . . . . . 135 ARG H . 19614 1 961 . 2 1 10 10 ARG HA H 1 4.261 0.005 . . . . . . 135 ARG HA . 19614 1 962 . 2 1 10 10 ARG HB2 H 1 1.817 0.005 . . . . . . 135 ARG HB2 . 19614 1 963 . 2 1 10 10 ARG HB3 H 1 1.747 0.006 . . . . . . 135 ARG HB3 . 19614 1 964 . 2 1 10 10 ARG HG2 H 1 1.680 0.007 . . . . . . 135 ARG HG2 . 19614 1 965 . 2 1 10 10 ARG HG3 H 1 1.583 0.006 . . . . . . 135 ARG HG3 . 19614 1 966 . 2 1 10 10 ARG HD2 H 1 3.166 0.007 . . . . . . 135 ARG QD . 19614 1 967 . 2 1 10 10 ARG HD3 H 1 3.166 0.007 . . . . . . 135 ARG QD . 19614 1 968 . 2 1 10 10 ARG C C 13 176.411 0.013 . . . . . . 135 ARG C . 19614 1 969 . 2 1 10 10 ARG CA C 13 56.306 0.069 . . . . . . 135 ARG CA . 19614 1 970 . 2 1 10 10 ARG CB C 13 30.587 0.082 . . . . . . 135 ARG CB . 19614 1 971 . 2 1 10 10 ARG CG C 13 27.105 0.117 . . . . . . 135 ARG CG . 19614 1 972 . 2 1 10 10 ARG CD C 13 43.170 0.066 . . . . . . 135 ARG CD . 19614 1 973 . 2 1 10 10 ARG N N 15 122.797 0.024 . . . . . . 135 ARG N . 19614 1 974 . 2 1 11 11 LYS H H 1 8.482 0.003 . . . . . . 136 LYS H . 19614 1 975 . 2 1 11 11 LYS HA H 1 4.288 0.008 . . . . . . 136 LYS HA . 19614 1 976 . 2 1 11 11 LYS HB2 H 1 1.788 0.014 . . . . . . 136 LYS QB . 19614 1 977 . 2 1 11 11 LYS HB3 H 1 1.788 0.014 . . . . . . 136 LYS QB . 19614 1 978 . 2 1 11 11 LYS HG2 H 1 1.456 0.015 . . . . . . 136 LYS QG . 19614 1 979 . 2 1 11 11 LYS HG3 H 1 1.456 0.015 . . . . . . 136 LYS QG . 19614 1 980 . 2 1 11 11 LYS HD2 H 1 1.672 0.006 . . . . . . 136 LYS QD . 19614 1 981 . 2 1 11 11 LYS HD3 H 1 1.672 0.006 . . . . . . 136 LYS QD . 19614 1 982 . 2 1 11 11 LYS HE2 H 1 2.967 0.005 . . . . . . 136 LYS QE . 19614 1 983 . 2 1 11 11 LYS HE3 H 1 2.967 0.005 . . . . . . 136 LYS QE . 19614 1 984 . 2 1 11 11 LYS C C 13 176.738 0.012 . . . . . . 136 LYS C . 19614 1 985 . 2 1 11 11 LYS CA C 13 56.514 0.060 . . . . . . 136 LYS CA . 19614 1 986 . 2 1 11 11 LYS CB C 13 32.857 0.076 . . . . . . 136 LYS CB . 19614 1 987 . 2 1 11 11 LYS CG C 13 24.785 0.060 . . . . . . 136 LYS CG . 19614 1 988 . 2 1 11 11 LYS CD C 13 29.036 0.028 . . . . . . 136 LYS CD . 19614 1 989 . 2 1 11 11 LYS CE C 13 41.982 0.153 . . . . . . 136 LYS CE . 19614 1 990 . 2 1 11 11 LYS N N 15 122.974 0.029 . . . . . . 136 LYS N . 19614 1 991 . 2 1 12 12 SER H H 1 8.410 0.007 . . . . . . 137 SER H . 19614 1 992 . 2 1 12 12 SER HA H 1 4.469 0.005 . . . . . . 137 SER HA . 19614 1 993 . 2 1 12 12 SER HB2 H 1 3.878 0.002 . . . . . . 137 SER HB2 . 19614 1 994 . 2 1 12 12 SER HB3 H 1 3.820 0.005 . . . . . . 137 SER HB3 . 19614 1 995 . 2 1 12 12 SER C C 13 174.495 0.002 . . . . . . 137 SER C . 19614 1 996 . 2 1 12 12 SER CA C 13 58.115 0.078 . . . . . . 137 SER CA . 19614 1 997 . 2 1 12 12 SER CB C 13 63.627 0.212 . . . . . . 137 SER CB . 19614 1 998 . 2 1 12 12 SER N N 15 117.137 0.021 . . . . . . 137 SER N . 19614 1 999 . 2 1 13 13 SER H H 1 8.456 0.006 . . . . . . 138 SER H . 19614 1 1000 . 2 1 13 13 SER HA H 1 4.467 0.007 . . . . . . 138 SER HA . 19614 1 1001 . 2 1 13 13 SER HB2 H 1 3.875 0.007 . . . . . . 138 SER QB . 19614 1 1002 . 2 1 13 13 SER HB3 H 1 3.875 0.007 . . . . . . 138 SER QB . 19614 1 1003 . 2 1 13 13 SER C C 13 174.332 0.015 . . . . . . 138 SER C . 19614 1 1004 . 2 1 13 13 SER CA C 13 58.187 0.068 . . . . . . 138 SER CA . 19614 1 1005 . 2 1 13 13 SER CB C 13 63.703 0.111 . . . . . . 138 SER CB . 19614 1 1006 . 2 1 13 13 SER N N 15 118.622 0.019 . . . . . . 138 SER N . 19614 1 1007 . 2 1 14 14 LYS H H 1 8.489 0.003 . . . . . . 139 LYS H . 19614 1 1008 . 2 1 14 14 LYS HA H 1 4.478 0.005 . . . . . . 139 LYS HA . 19614 1 1009 . 2 1 14 14 LYS HB2 H 1 1.841 0.006 . . . . . . 139 LYS HB2 . 19614 1 1010 . 2 1 14 14 LYS HB3 H 1 1.775 0.010 . . . . . . 139 LYS HB3 . 19614 1 1011 . 2 1 14 14 LYS HG2 H 1 1.511 0.001 . . . . . . 139 LYS HG2 . 19614 1 1012 . 2 1 14 14 LYS HG3 H 1 1.415 0.006 . . . . . . 139 LYS HG3 . 19614 1 1013 . 2 1 14 14 LYS HD2 H 1 1.680 0.005 . . . . . . 139 LYS QD . 19614 1 1014 . 2 1 14 14 LYS HD3 H 1 1.680 0.005 . . . . . . 139 LYS QD . 19614 1 1015 . 2 1 14 14 LYS HE2 H 1 2.968 0.001 . . . . . . 139 LYS QE . 19614 1 1016 . 2 1 14 14 LYS HE3 H 1 2.968 0.001 . . . . . . 139 LYS QE . 19614 1 1017 . 2 1 14 14 LYS C C 13 174.904 0.000 . . . . . . 139 LYS C . 19614 1 1018 . 2 1 14 14 LYS CA C 13 56.707 0.048 . . . . . . 139 LYS CA . 19614 1 1019 . 2 1 14 14 LYS CB C 13 31.595 0.036 . . . . . . 139 LYS CB . 19614 1 1020 . 2 1 14 14 LYS CG C 13 24.923 0.050 . . . . . . 139 LYS CG . 19614 1 1021 . 2 1 14 14 LYS CD C 13 29.083 0.000 . . . . . . 139 LYS CD . 19614 1 1022 . 2 1 14 14 LYS CE C 13 41.815 0.003 . . . . . . 139 LYS CE . 19614 1 1023 . 2 1 14 14 LYS N N 15 124.176 0.025 . . . . . . 139 LYS N . 19614 1 1024 . 2 1 15 15 PRO HA H 1 4.401 0.008 . . . . . . 140 PRO HA . 19614 1 1025 . 2 1 15 15 PRO HB2 H 1 2.302 0.009 . . . . . . 140 PRO HB2 . 19614 1 1026 . 2 1 15 15 PRO HB3 H 1 1.849 0.017 . . . . . . 140 PRO HB3 . 19614 1 1027 . 2 1 15 15 PRO HG2 H 1 2.048 0.006 . . . . . . 140 PRO HG2 . 19614 1 1028 . 2 1 15 15 PRO HG3 H 1 1.999 0.006 . . . . . . 140 PRO HG3 . 19614 1 1029 . 2 1 15 15 PRO HD2 H 1 3.795 0.005 . . . . . . 140 PRO HD2 . 19614 1 1030 . 2 1 15 15 PRO HD3 H 1 3.693 0.009 . . . . . . 140 PRO HD3 . 19614 1 1031 . 2 1 15 15 PRO C C 13 178.173 0.037 . . . . . . 140 PRO C . 19614 1 1032 . 2 1 15 15 PRO CA C 13 64.315 0.080 . . . . . . 140 PRO CA . 19614 1 1033 . 2 1 15 15 PRO CB C 13 31.675 0.135 . . . . . . 140 PRO CB . 19614 1 1034 . 2 1 15 15 PRO CG C 13 27.748 0.069 . . . . . . 140 PRO CG . 19614 1 1035 . 2 1 15 15 PRO CD C 13 50.419 0.038 . . . . . . 140 PRO CD . 19614 1 1036 . 2 1 16 16 ILE H H 1 8.011 0.007 . . . . . . 141 ILE H . 19614 1 1037 . 2 1 16 16 ILE HA H 1 3.967 0.005 . . . . . . 141 ILE HA . 19614 1 1038 . 2 1 16 16 ILE HB H 1 1.921 0.012 . . . . . . 141 ILE HB . 19614 1 1039 . 2 1 16 16 ILE HG12 H 1 1.526 0.015 . . . . . . 141 ILE HG12 . 19614 1 1040 . 2 1 16 16 ILE HG13 H 1 1.235 0.005 . . . . . . 141 ILE HG13 . 19614 1 1041 . 2 1 16 16 ILE HG21 H 1 0.914 0.007 . . . . . . 141 ILE QG2 . 19614 1 1042 . 2 1 16 16 ILE HG22 H 1 0.914 0.007 . . . . . . 141 ILE QG2 . 19614 1 1043 . 2 1 16 16 ILE HG23 H 1 0.914 0.007 . . . . . . 141 ILE QG2 . 19614 1 1044 . 2 1 16 16 ILE HD11 H 1 0.867 0.005 . . . . . . 141 ILE HD1 . 19614 1 1045 . 2 1 16 16 ILE HD12 H 1 0.867 0.005 . . . . . . 141 ILE HD1 . 19614 1 1046 . 2 1 16 16 ILE HD13 H 1 0.867 0.005 . . . . . . 141 ILE HD1 . 19614 1 1047 . 2 1 16 16 ILE C C 13 177.393 0.003 . . . . . . 141 ILE C . 19614 1 1048 . 2 1 16 16 ILE CA C 13 62.575 0.036 . . . . . . 141 ILE CA . 19614 1 1049 . 2 1 16 16 ILE CB C 13 37.900 0.068 . . . . . . 141 ILE CB . 19614 1 1050 . 2 1 16 16 ILE CG1 C 13 28.159 0.052 . . . . . . 141 ILE CG1 . 19614 1 1051 . 2 1 16 16 ILE CG2 C 13 17.387 0.028 . . . . . . 141 ILE CG2 . 19614 1 1052 . 2 1 16 16 ILE CD1 C 13 12.679 0.053 . . . . . . 141 ILE CD1 . 19614 1 1053 . 2 1 16 16 ILE N N 15 120.414 0.029 . . . . . . 141 ILE N . 19614 1 1054 . 2 1 17 17 MET H H 1 8.335 0.006 . . . . . . 142 MET H . 19614 1 1055 . 2 1 17 17 MET HA H 1 4.330 0.004 . . . . . . 142 MET HA . 19614 1 1056 . 2 1 17 17 MET HB2 H 1 2.134 0.002 . . . . . . 142 MET HB2 . 19614 1 1057 . 2 1 17 17 MET HB3 H 1 2.084 0.007 . . . . . . 142 MET HB3 . 19614 1 1058 . 2 1 17 17 MET HG2 H 1 2.660 0.006 . . . . . . 142 MET HG2 . 19614 1 1059 . 2 1 17 17 MET HG3 H 1 2.549 0.007 . . . . . . 142 MET HG3 . 19614 1 1060 . 2 1 17 17 MET HE1 H 1 1.863 0.007 . . . . . . 142 MET ME . 19614 1 1061 . 2 1 17 17 MET HE2 H 1 1.863 0.007 . . . . . . 142 MET ME . 19614 1 1062 . 2 1 17 17 MET HE3 H 1 1.863 0.007 . . . . . . 142 MET ME . 19614 1 1063 . 2 1 17 17 MET C C 13 178.050 0.002 . . . . . . 142 MET C . 19614 1 1064 . 2 1 17 17 MET CA C 13 56.959 0.074 . . . . . . 142 MET CA . 19614 1 1065 . 2 1 17 17 MET CB C 13 32.024 0.100 . . . . . . 142 MET CB . 19614 1 1066 . 2 1 17 17 MET CG C 13 32.129 0.046 . . . . . . 142 MET CG . 19614 1 1067 . 2 1 17 17 MET N N 15 122.411 0.029 . . . . . . 142 MET N . 19614 1 1068 . 2 1 18 18 GLU H H 1 8.397 0.006 . . . . . . 143 GLU H . 19614 1 1069 . 2 1 18 18 GLU HA H 1 4.193 0.012 . . . . . . 143 GLU HA . 19614 1 1070 . 2 1 18 18 GLU HB2 H 1 2.030 0.010 . . . . . . 143 GLU QB . 19614 1 1071 . 2 1 18 18 GLU HB3 H 1 2.030 0.010 . . . . . . 143 GLU QB . 19614 1 1072 . 2 1 18 18 GLU HG2 H 1 2.298 0.007 . . . . . . 143 GLU QG . 19614 1 1073 . 2 1 18 18 GLU HG3 H 1 2.298 0.007 . . . . . . 143 GLU QG . 19614 1 1074 . 2 1 18 18 GLU C C 13 177.835 0.026 . . . . . . 143 GLU C . 19614 1 1075 . 2 1 18 18 GLU CA C 13 58.157 0.058 . . . . . . 143 GLU CA . 19614 1 1076 . 2 1 18 18 GLU CB C 13 29.543 0.099 . . . . . . 143 GLU CB . 19614 1 1077 . 2 1 18 18 GLU CG C 13 35.943 0.009 . . . . . . 143 GLU CG . 19614 1 1078 . 2 1 18 18 GLU N N 15 121.832 0.044 . . . . . . 143 GLU N . 19614 1 1079 . 2 1 19 19 LYS H H 1 8.124 0.009 . . . . . . 144 LYS H . 19614 1 1080 . 2 1 19 19 LYS HA H 1 4.083 0.028 . . . . . . 144 LYS HA . 19614 1 1081 . 2 1 19 19 LYS HB2 H 1 1.880 0.015 . . . . . . 144 LYS QB . 19614 1 1082 . 2 1 19 19 LYS HB3 H 1 1.880 0.015 . . . . . . 144 LYS QB . 19614 1 1083 . 2 1 19 19 LYS HG2 H 1 1.528 0.011 . . . . . . 144 LYS HG2 . 19614 1 1084 . 2 1 19 19 LYS HG3 H 1 1.416 0.007 . . . . . . 144 LYS HG3 . 19614 1 1085 . 2 1 19 19 LYS HD2 H 1 1.664 0.005 . . . . . . 144 LYS QD . 19614 1 1086 . 2 1 19 19 LYS HD3 H 1 1.664 0.005 . . . . . . 144 LYS QD . 19614 1 1087 . 2 1 19 19 LYS HE2 H 1 2.950 0.006 . . . . . . 144 LYS QE . 19614 1 1088 . 2 1 19 19 LYS HE3 H 1 2.950 0.006 . . . . . . 144 LYS QE . 19614 1 1089 . 2 1 19 19 LYS C C 13 178.745 0.003 . . . . . . 144 LYS C . 19614 1 1090 . 2 1 19 19 LYS CA C 13 58.846 0.062 . . . . . . 144 LYS CA . 19614 1 1091 . 2 1 19 19 LYS CB C 13 32.493 0.124 . . . . . . 144 LYS CB . 19614 1 1092 . 2 1 19 19 LYS CG C 13 25.202 0.102 . . . . . . 144 LYS CG . 19614 1 1093 . 2 1 19 19 LYS CD C 13 29.297 0.078 . . . . . . 144 LYS CD . 19614 1 1094 . 2 1 19 19 LYS CE C 13 41.982 0.141 . . . . . . 144 LYS CE . 19614 1 1095 . 2 1 19 19 LYS N N 15 121.347 0.051 . . . . . . 144 LYS N . 19614 1 1096 . 2 1 20 20 ARG H H 1 8.219 0.009 . . . . . . 145 ARG H . 19614 1 1097 . 2 1 20 20 ARG HA H 1 4.247 0.008 . . . . . . 145 ARG HA . 19614 1 1098 . 2 1 20 20 ARG HB2 H 1 1.897 0.010 . . . . . . 145 ARG QB . 19614 1 1099 . 2 1 20 20 ARG HB3 H 1 1.897 0.010 . . . . . . 145 ARG QB . 19614 1 1100 . 2 1 20 20 ARG HG2 H 1 1.740 0.009 . . . . . . 145 ARG HG2 . 19614 1 1101 . 2 1 20 20 ARG HG3 H 1 1.657 0.006 . . . . . . 145 ARG HG3 . 19614 1 1102 . 2 1 20 20 ARG HD2 H 1 3.182 0.010 . . . . . . 145 ARG QD . 19614 1 1103 . 2 1 20 20 ARG HD3 H 1 3.182 0.010 . . . . . . 145 ARG QD . 19614 1 1104 . 2 1 20 20 ARG C C 13 178.025 0.004 . . . . . . 145 ARG C . 19614 1 1105 . 2 1 20 20 ARG CA C 13 58.201 0.091 . . . . . . 145 ARG CA . 19614 1 1106 . 2 1 20 20 ARG CB C 13 29.888 0.081 . . . . . . 145 ARG CB . 19614 1 1107 . 2 1 20 20 ARG CG C 13 27.334 0.114 . . . . . . 145 ARG CG . 19614 1 1108 . 2 1 20 20 ARG CD C 13 43.235 0.092 . . . . . . 145 ARG CD . 19614 1 1109 . 2 1 20 20 ARG N N 15 120.603 0.040 . . . . . . 145 ARG N . 19614 1 1110 . 2 1 21 21 ARG H H 1 8.245 0.013 . . . . . . 146 ARG H . 19614 1 1111 . 2 1 21 21 ARG HA H 1 3.908 0.023 . . . . . . 146 ARG HA . 19614 1 1112 . 2 1 21 21 ARG HB2 H 1 1.913 0.006 . . . . . . 146 ARG HB2 . 19614 1 1113 . 2 1 21 21 ARG HB3 H 1 1.835 0.009 . . . . . . 146 ARG HB3 . 19614 1 1114 . 2 1 21 21 ARG HG2 H 1 1.693 0.011 . . . . . . 146 ARG HG2 . 19614 1 1115 . 2 1 21 21 ARG HG3 H 1 1.590 0.007 . . . . . . 146 ARG HG3 . 19614 1 1116 . 2 1 21 21 ARG HD2 H 1 3.192 0.006 . . . . . . 146 ARG QD . 19614 1 1117 . 2 1 21 21 ARG HD3 H 1 3.192 0.006 . . . . . . 146 ARG QD . 19614 1 1118 . 2 1 21 21 ARG C C 13 177.855 0.013 . . . . . . 146 ARG C . 19614 1 1119 . 2 1 21 21 ARG CA C 13 59.726 0.082 . . . . . . 146 ARG CA . 19614 1 1120 . 2 1 21 21 ARG CB C 13 30.215 0.119 . . . . . . 146 ARG CB . 19614 1 1121 . 2 1 21 21 ARG CG C 13 28.016 0.060 . . . . . . 146 ARG CG . 19614 1 1122 . 2 1 21 21 ARG CD C 13 43.333 0.065 . . . . . . 146 ARG CD . 19614 1 1123 . 2 1 21 21 ARG N N 15 121.714 0.075 . . . . . . 146 ARG N . 19614 1 1124 . 2 1 22 22 ARG H H 1 8.233 0.013 . . . . . . 147 ARG H . 19614 1 1125 . 2 1 22 22 ARG HA H 1 3.961 0.005 . . . . . . 147 ARG HA . 19614 1 1126 . 2 1 22 22 ARG HB2 H 1 1.884 0.018 . . . . . . 147 ARG QB . 19614 1 1127 . 2 1 22 22 ARG HB3 H 1 1.884 0.018 . . . . . . 147 ARG QB . 19614 1 1128 . 2 1 22 22 ARG HG2 H 1 1.694 0.005 . . . . . . 147 ARG QG . 19614 1 1129 . 2 1 22 22 ARG HG3 H 1 1.694 0.005 . . . . . . 147 ARG QG . 19614 1 1130 . 2 1 22 22 ARG HD2 H 1 3.179 0.015 . . . . . . 147 ARG QD . 19614 1 1131 . 2 1 22 22 ARG HD3 H 1 3.179 0.015 . . . . . . 147 ARG QD . 19614 1 1132 . 2 1 22 22 ARG C C 13 177.899 0.017 . . . . . . 147 ARG C . 19614 1 1133 . 2 1 22 22 ARG CA C 13 58.541 0.163 . . . . . . 147 ARG CA . 19614 1 1134 . 2 1 22 22 ARG CB C 13 29.704 0.200 . . . . . . 147 ARG CB . 19614 1 1135 . 2 1 22 22 ARG CG C 13 27.030 0.157 . . . . . . 147 ARG CG . 19614 1 1136 . 2 1 22 22 ARG CD C 13 42.966 0.104 . . . . . . 147 ARG CD . 19614 1 1137 . 2 1 22 22 ARG N N 15 118.469 0.083 . . . . . . 147 ARG N . 19614 1 1138 . 2 1 23 23 ALA H H 1 7.962 0.006 . . . . . . 148 ALA H . 19614 1 1139 . 2 1 23 23 ALA HA H 1 4.205 0.005 . . . . . . 148 ALA HA . 19614 1 1140 . 2 1 23 23 ALA HB1 H 1 1.505 0.009 . . . . . . 148 ALA MB . 19614 1 1141 . 2 1 23 23 ALA HB2 H 1 1.505 0.009 . . . . . . 148 ALA MB . 19614 1 1142 . 2 1 23 23 ALA HB3 H 1 1.505 0.009 . . . . . . 148 ALA MB . 19614 1 1143 . 2 1 23 23 ALA C C 13 180.284 0.013 . . . . . . 148 ALA C . 19614 1 1144 . 2 1 23 23 ALA CA C 13 54.815 0.042 . . . . . . 148 ALA CA . 19614 1 1145 . 2 1 23 23 ALA CB C 13 18.025 0.086 . . . . . . 148 ALA CB . 19614 1 1146 . 2 1 23 23 ALA N N 15 121.720 0.115 . . . . . . 148 ALA N . 19614 1 1147 . 2 1 24 24 ARG H H 1 8.103 0.007 . . . . . . 149 ARG H . 19614 1 1148 . 2 1 24 24 ARG C C 13 179.589 0.000 . . . . . . 149 ARG C . 19614 1 1149 . 2 1 24 24 ARG CA C 13 59.291 0.062 . . . . . . 149 ARG CA . 19614 1 1150 . 2 1 24 24 ARG CB C 13 30.993 0.000 . . . . . . 149 ARG CB . 19614 1 1151 . 2 1 24 24 ARG N N 15 119.603 0.075 . . . . . . 149 ARG N . 19614 1 1152 . 2 1 25 25 ILE H H 1 8.145 0.007 . . . . . . 150 ILE H . 19614 1 1153 . 2 1 25 25 ILE HA H 1 3.662 0.005 . . . . . . 150 ILE HA . 19614 1 1154 . 2 1 25 25 ILE HB H 1 1.856 0.011 . . . . . . 150 ILE HB . 19614 1 1155 . 2 1 25 25 ILE HG21 H 1 0.810 0.005 . . . . . . 150 ILE HG2 . 19614 1 1156 . 2 1 25 25 ILE HG22 H 1 0.810 0.005 . . . . . . 150 ILE HG2 . 19614 1 1157 . 2 1 25 25 ILE HG23 H 1 0.810 0.005 . . . . . . 150 ILE HG2 . 19614 1 1158 . 2 1 25 25 ILE HD11 H 1 0.824 0.004 . . . . . . 150 ILE HD1 . 19614 1 1159 . 2 1 25 25 ILE HD12 H 1 0.824 0.004 . . . . . . 150 ILE HD1 . 19614 1 1160 . 2 1 25 25 ILE HD13 H 1 0.824 0.004 . . . . . . 150 ILE HD1 . 19614 1 1161 . 2 1 25 25 ILE C C 13 177.372 0.000 . . . . . . 150 ILE C . 19614 1 1162 . 2 1 25 25 ILE CA C 13 65.302 0.049 . . . . . . 150 ILE CA . 19614 1 1163 . 2 1 25 25 ILE CB C 13 38.216 0.200 . . . . . . 150 ILE CB . 19614 1 1164 . 2 1 25 25 ILE CG1 C 13 29.848 0.055 . . . . . . 150 ILE CG1 . 19614 1 1165 . 2 1 25 25 ILE CG2 C 13 16.521 0.062 . . . . . . 150 ILE CG2 . 19614 1 1166 . 2 1 25 25 ILE CD1 C 13 13.679 0.142 . . . . . . 150 ILE CD1 . 19614 1 1167 . 2 1 25 25 ILE N N 15 121.545 0.071 . . . . . . 150 ILE N . 19614 1 1168 . 2 1 26 26 ASN H H 1 8.431 0.006 . . . . . . 151 ASN H . 19614 1 1169 . 2 1 26 26 ASN HA H 1 4.407 0.023 . . . . . . 151 ASN HA . 19614 1 1170 . 2 1 26 26 ASN HB2 H 1 2.855 0.002 . . . . . . 151 ASN HB2 . 19614 1 1171 . 2 1 26 26 ASN HB3 H 1 2.825 0.005 . . . . . . 151 ASN HB3 . 19614 1 1172 . 2 1 26 26 ASN HD21 H 1 7.640 0.001 . . . . . . 151 ASN HD21 . 19614 1 1173 . 2 1 26 26 ASN HD22 H 1 6.991 0.002 . . . . . . 151 ASN HD22 . 19614 1 1174 . 2 1 26 26 ASN C C 13 178.725 0.009 . . . . . . 151 ASN C . 19614 1 1175 . 2 1 26 26 ASN CA C 13 56.205 0.132 . . . . . . 151 ASN CA . 19614 1 1176 . 2 1 26 26 ASN CB C 13 37.594 0.138 . . . . . . 151 ASN CB . 19614 1 1177 . 2 1 26 26 ASN N N 15 117.894 0.040 . . . . . . 151 ASN N . 19614 1 1178 . 2 1 26 26 ASN ND2 N 15 112.006 0.041 . . . . . . 151 ASN ND2 . 19614 1 1179 . 2 1 27 27 GLU H H 1 8.299 0.006 . . . . . . 152 GLU H . 19614 1 1180 . 2 1 27 27 GLU HA H 1 4.205 0.006 . . . . . . 152 GLU HA . 19614 1 1181 . 2 1 27 27 GLU HB2 H 1 2.170 0.007 . . . . . . 152 GLU HB2 . 19614 1 1182 . 2 1 27 27 GLU HB3 H 1 2.078 0.006 . . . . . . 152 GLU HB3 . 19614 1 1183 . 2 1 27 27 GLU HG2 H 1 2.319 0.006 . . . . . . 152 GLU QG . 19614 1 1184 . 2 1 27 27 GLU HG3 H 1 2.319 0.006 . . . . . . 152 GLU QG . 19614 1 1185 . 2 1 27 27 GLU C C 13 179.243 0.019 . . . . . . 152 GLU C . 19614 1 1186 . 2 1 27 27 GLU CA C 13 59.291 0.092 . . . . . . 152 GLU CA . 19614 1 1187 . 2 1 27 27 GLU CB C 13 29.101 0.124 . . . . . . 152 GLU CB . 19614 1 1188 . 2 1 27 27 GLU CG C 13 35.906 0.053 . . . . . . 152 GLU CG . 19614 1 1189 . 2 1 27 27 GLU N N 15 121.612 0.053 . . . . . . 152 GLU N . 19614 1 1190 . 2 1 28 28 SER H H 1 8.254 0.007 . . . . . . 153 SER H . 19614 1 1191 . 2 1 28 28 SER C C 13 176.283 0.000 . . . . . . 153 SER C . 19614 1 1192 . 2 1 28 28 SER CA C 13 63.032 0.175 . . . . . . 153 SER CA . 19614 1 1193 . 2 1 28 28 SER N N 15 116.604 0.031 . . . . . . 153 SER N . 19614 1 1194 . 2 1 29 29 LEU H H 1 8.693 0.004 . . . . . . 154 LEU H . 19614 1 1195 . 2 1 29 29 LEU HA H 1 3.962 0.009 . . . . . . 154 LEU HA . 19614 1 1196 . 2 1 29 29 LEU HB2 H 1 1.945 0.013 . . . . . . 154 LEU HB2 . 19614 1 1197 . 2 1 29 29 LEU HB3 H 1 1.520 0.010 . . . . . . 154 LEU HB3 . 19614 1 1198 . 2 1 29 29 LEU HG H 1 1.831 0.009 . . . . . . 154 LEU HG . 19614 1 1199 . 2 1 29 29 LEU HD11 H 1 0.752 0.009 . . . . . . 154 LEU HD1 . 19614 1 1200 . 2 1 29 29 LEU HD12 H 1 0.752 0.009 . . . . . . 154 LEU HD1 . 19614 1 1201 . 2 1 29 29 LEU HD13 H 1 0.752 0.009 . . . . . . 154 LEU HD1 . 19614 1 1202 . 2 1 29 29 LEU HD21 H 1 0.825 0.013 . . . . . . 154 LEU HD2 . 19614 1 1203 . 2 1 29 29 LEU HD22 H 1 0.825 0.013 . . . . . . 154 LEU HD2 . 19614 1 1204 . 2 1 29 29 LEU HD23 H 1 0.825 0.013 . . . . . . 154 LEU HD2 . 19614 1 1205 . 2 1 29 29 LEU C C 13 178.897 0.000 . . . . . . 154 LEU C . 19614 1 1206 . 2 1 29 29 LEU CA C 13 58.116 0.125 . . . . . . 154 LEU CA . 19614 1 1207 . 2 1 29 29 LEU CB C 13 41.576 0.163 . . . . . . 154 LEU CB . 19614 1 1208 . 2 1 29 29 LEU CG C 13 27.116 0.122 . . . . . . 154 LEU CG . 19614 1 1209 . 2 1 29 29 LEU CD1 C 13 25.932 0.123 . . . . . . 154 LEU CD1 . 19614 1 1210 . 2 1 29 29 LEU CD2 C 13 23.511 0.084 . . . . . . 154 LEU CD2 . 19614 1 1211 . 2 1 29 29 LEU N N 15 121.925 0.023 . . . . . . 154 LEU N . 19614 1 1212 . 2 1 30 30 SER H H 1 7.823 0.007 . . . . . . 155 SER H . 19614 1 1213 . 2 1 30 30 SER HA H 1 4.181 0.011 . . . . . . 155 SER HA . 19614 1 1214 . 2 1 30 30 SER HB2 H 1 4.052 0.015 . . . . . . 155 SER QB . 19614 1 1215 . 2 1 30 30 SER HB3 H 1 4.052 0.015 . . . . . . 155 SER QB . 19614 1 1216 . 2 1 30 30 SER C C 13 177.381 0.000 . . . . . . 155 SER C . 19614 1 1217 . 2 1 30 30 SER CA C 13 61.568 0.095 . . . . . . 155 SER CA . 19614 1 1218 . 2 1 30 30 SER CB C 13 62.527 0.096 . . . . . . 155 SER CB . 19614 1 1219 . 2 1 30 30 SER N N 15 114.515 0.035 . . . . . . 155 SER N . 19614 1 1220 . 2 1 31 31 GLN H H 1 7.886 0.007 . . . . . . 156 GLN H . 19614 1 1221 . 2 1 31 31 GLN HA H 1 4.087 0.008 . . . . . . 156 GLN HA . 19614 1 1222 . 2 1 31 31 GLN HB2 H 1 2.318 0.003 . . . . . . 156 GLN QB . 19614 1 1223 . 2 1 31 31 GLN HB3 H 1 2.318 0.003 . . . . . . 156 GLN QB . 19614 1 1224 . 2 1 31 31 GLN HG2 H 1 2.638 0.007 . . . . . . 156 GLN HG2 . 19614 1 1225 . 2 1 31 31 GLN HG3 H 1 2.401 0.007 . . . . . . 156 GLN HG3 . 19614 1 1226 . 2 1 31 31 GLN HE21 H 1 7.558 0.004 . . . . . . 156 GLN HE21 . 19614 1 1227 . 2 1 31 31 GLN HE22 H 1 6.809 0.004 . . . . . . 156 GLN HE22 . 19614 1 1228 . 2 1 31 31 GLN C C 13 178.904 0.015 . . . . . . 156 GLN C . 19614 1 1229 . 2 1 31 31 GLN CA C 13 58.679 0.092 . . . . . . 156 GLN CA . 19614 1 1230 . 2 1 31 31 GLN CB C 13 28.669 0.220 . . . . . . 156 GLN CB . 19614 1 1231 . 2 1 31 31 GLN CG C 13 33.897 0.047 . . . . . . 156 GLN CG . 19614 1 1232 . 2 1 31 31 GLN N N 15 120.605 0.057 . . . . . . 156 GLN N . 19614 1 1233 . 2 1 31 31 GLN NE2 N 15 111.661 0.032 . . . . . . 156 GLN NE2 . 19614 1 1234 . 2 1 32 32 LEU H H 1 8.845 0.006 . . . . . . 157 LEU H . 19614 1 1235 . 2 1 32 32 LEU HA H 1 3.953 0.011 . . . . . . 157 LEU HA . 19614 1 1236 . 2 1 32 32 LEU HB2 H 1 1.657 0.011 . . . . . . 157 LEU QB . 19614 1 1237 . 2 1 32 32 LEU HB3 H 1 1.657 0.011 . . . . . . 157 LEU QB . 19614 1 1238 . 2 1 32 32 LEU HD11 H 1 0.848 0.008 . . . . . . 157 LEU MD1 . 19614 1 1239 . 2 1 32 32 LEU HD12 H 1 0.848 0.008 . . . . . . 157 LEU MD1 . 19614 1 1240 . 2 1 32 32 LEU HD13 H 1 0.848 0.008 . . . . . . 157 LEU MD1 . 19614 1 1241 . 2 1 32 32 LEU HD21 H 1 0.792 0.006 . . . . . . 157 LEU MD2 . 19614 1 1242 . 2 1 32 32 LEU HD22 H 1 0.792 0.006 . . . . . . 157 LEU MD2 . 19614 1 1243 . 2 1 32 32 LEU HD23 H 1 0.792 0.006 . . . . . . 157 LEU MD2 . 19614 1 1244 . 2 1 32 32 LEU C C 13 177.406 0.026 . . . . . . 157 LEU C . 19614 1 1245 . 2 1 32 32 LEU CA C 13 57.957 0.156 . . . . . . 157 LEU CA . 19614 1 1246 . 2 1 32 32 LEU CB C 13 41.486 0.164 . . . . . . 157 LEU CB . 19614 1 1247 . 2 1 32 32 LEU CD1 C 13 24.575 0.000 . . . . . . 157 LEU CD1 . 19614 1 1248 . 2 1 32 32 LEU CD2 C 13 24.541 0.120 . . . . . . 157 LEU CD2 . 19614 1 1249 . 2 1 32 32 LEU N N 15 120.488 0.100 . . . . . . 157 LEU N . 19614 1 1250 . 2 1 33 33 LYS H H 1 8.145 0.007 . . . . . . 158 LYS H . 19614 1 1251 . 2 1 33 33 LYS HE2 H 1 2.865 0.007 . . . . . . 158 LYS QE . 19614 1 1252 . 2 1 33 33 LYS HE3 H 1 2.865 0.007 . . . . . . 158 LYS QE . 19614 1 1253 . 2 1 33 33 LYS C C 13 176.891 0.018 . . . . . . 158 LYS C . 19614 1 1254 . 2 1 33 33 LYS CA C 13 60.535 0.118 . . . . . . 158 LYS CA . 19614 1 1255 . 2 1 33 33 LYS CB C 13 31.903 0.114 . . . . . . 158 LYS CB . 19614 1 1256 . 2 1 33 33 LYS N N 15 118.053 0.045 . . . . . . 158 LYS N . 19614 1 1257 . 2 1 34 34 THR H H 1 7.393 0.006 . . . . . . 159 THR H . 19614 1 1258 . 2 1 34 34 THR HA H 1 3.812 0.003 . . . . . . 159 THR HA . 19614 1 1259 . 2 1 34 34 THR HB H 1 4.181 0.007 . . . . . . 159 THR HB . 19614 1 1260 . 2 1 34 34 THR HG21 H 1 1.214 0.012 . . . . . . 159 THR HG2 . 19614 1 1261 . 2 1 34 34 THR HG22 H 1 1.214 0.012 . . . . . . 159 THR HG2 . 19614 1 1262 . 2 1 34 34 THR HG23 H 1 1.214 0.012 . . . . . . 159 THR HG2 . 19614 1 1263 . 2 1 34 34 THR C C 13 176.273 0.000 . . . . . . 159 THR C . 19614 1 1264 . 2 1 34 34 THR CA C 13 66.367 0.074 . . . . . . 159 THR CA . 19614 1 1265 . 2 1 34 34 THR CB C 13 68.902 0.111 . . . . . . 159 THR CB . 19614 1 1266 . 2 1 34 34 THR CG2 C 13 21.928 0.048 . . . . . . 159 THR CG2 . 19614 1 1267 . 2 1 34 34 THR N N 15 112.948 0.046 . . . . . . 159 THR N . 19614 1 1268 . 2 1 35 35 LEU H H 1 8.005 0.008 . . . . . . 160 LEU H . 19614 1 1269 . 2 1 35 35 LEU HA H 1 4.066 0.011 . . . . . . 160 LEU HA . 19614 1 1270 . 2 1 35 35 LEU HG H 1 1.756 0.005 . . . . . . 160 LEU HG . 19614 1 1271 . 2 1 35 35 LEU HD11 H 1 0.899 0.015 . . . . . . 160 LEU MD1 . 19614 1 1272 . 2 1 35 35 LEU HD12 H 1 0.899 0.015 . . . . . . 160 LEU MD1 . 19614 1 1273 . 2 1 35 35 LEU HD13 H 1 0.899 0.015 . . . . . . 160 LEU MD1 . 19614 1 1274 . 2 1 35 35 LEU HD21 H 1 0.817 0.008 . . . . . . 160 LEU MD2 . 19614 1 1275 . 2 1 35 35 LEU HD22 H 1 0.817 0.008 . . . . . . 160 LEU MD2 . 19614 1 1276 . 2 1 35 35 LEU HD23 H 1 0.817 0.008 . . . . . . 160 LEU MD2 . 19614 1 1277 . 2 1 35 35 LEU C C 13 179.994 0.038 . . . . . . 160 LEU C . 19614 1 1278 . 2 1 35 35 LEU CA C 13 58.096 0.064 . . . . . . 160 LEU CA . 19614 1 1279 . 2 1 35 35 LEU CB C 13 43.107 0.095 . . . . . . 160 LEU CB . 19614 1 1280 . 2 1 35 35 LEU CD1 C 13 27.686 0.068 . . . . . . 160 LEU CD1 . 19614 1 1281 . 2 1 35 35 LEU CD2 C 13 23.473 0.032 . . . . . . 160 LEU CD2 . 19614 1 1282 . 2 1 35 35 LEU N N 15 120.435 0.051 . . . . . . 160 LEU N . 19614 1 1283 . 2 1 36 36 ILE H H 1 8.847 0.007 . . . . . . 161 ILE H . 19614 1 1284 . 2 1 36 36 ILE HA H 1 3.934 0.009 . . . . . . 161 ILE HA . 19614 1 1285 . 2 1 36 36 ILE HB H 1 1.791 0.006 . . . . . . 161 ILE HB . 19614 1 1286 . 2 1 36 36 ILE HG12 H 1 1.335 0.007 . . . . . . 161 ILE HG12 . 19614 1 1287 . 2 1 36 36 ILE HG13 H 1 1.266 0.011 . . . . . . 161 ILE HG13 . 19614 1 1288 . 2 1 36 36 ILE HG21 H 1 0.860 0.008 . . . . . . 161 ILE HG2 . 19614 1 1289 . 2 1 36 36 ILE HG22 H 1 0.860 0.008 . . . . . . 161 ILE HG2 . 19614 1 1290 . 2 1 36 36 ILE HG23 H 1 0.860 0.008 . . . . . . 161 ILE HG2 . 19614 1 1291 . 2 1 36 36 ILE HD11 H 1 0.715 0.008 . . . . . . 161 ILE HD1 . 19614 1 1292 . 2 1 36 36 ILE HD12 H 1 0.715 0.008 . . . . . . 161 ILE HD1 . 19614 1 1293 . 2 1 36 36 ILE HD13 H 1 0.715 0.008 . . . . . . 161 ILE HD1 . 19614 1 1294 . 2 1 36 36 ILE C C 13 176.957 0.001 . . . . . . 161 ILE C . 19614 1 1295 . 2 1 36 36 ILE CA C 13 60.979 0.132 . . . . . . 161 ILE CA . 19614 1 1296 . 2 1 36 36 ILE CB C 13 37.229 0.091 . . . . . . 161 ILE CB . 19614 1 1297 . 2 1 36 36 ILE CG1 C 13 28.534 0.085 . . . . . . 161 ILE CG1 . 19614 1 1298 . 2 1 36 36 ILE CG2 C 13 19.083 0.072 . . . . . . 161 ILE CG2 . 19614 1 1299 . 2 1 36 36 ILE CD1 C 13 13.754 0.048 . . . . . . 161 ILE CD1 . 19614 1 1300 . 2 1 36 36 ILE N N 15 120.041 0.074 . . . . . . 161 ILE N . 19614 1 1301 . 2 1 37 37 LEU H H 1 7.944 0.006 . . . . . . 162 LEU H . 19614 1 1302 . 2 1 37 37 LEU HA H 1 3.909 0.007 . . . . . . 162 LEU HA . 19614 1 1303 . 2 1 37 37 LEU HB2 H 1 1.862 0.008 . . . . . . 162 LEU HB2 . 19614 1 1304 . 2 1 37 37 LEU HB3 H 1 1.320 0.012 . . . . . . 162 LEU HB3 . 19614 1 1305 . 2 1 37 37 LEU HD11 H 1 0.746 0.008 . . . . . . 162 LEU MD1 . 19614 1 1306 . 2 1 37 37 LEU HD12 H 1 0.746 0.008 . . . . . . 162 LEU MD1 . 19614 1 1307 . 2 1 37 37 LEU HD13 H 1 0.746 0.008 . . . . . . 162 LEU MD1 . 19614 1 1308 . 2 1 37 37 LEU HD21 H 1 0.602 0.005 . . . . . . 162 LEU MD2 . 19614 1 1309 . 2 1 37 37 LEU HD22 H 1 0.602 0.005 . . . . . . 162 LEU MD2 . 19614 1 1310 . 2 1 37 37 LEU HD23 H 1 0.602 0.005 . . . . . . 162 LEU MD2 . 19614 1 1311 . 2 1 37 37 LEU C C 13 179.562 0.000 . . . . . . 162 LEU C . 19614 1 1312 . 2 1 37 37 LEU CA C 13 58.035 0.069 . . . . . . 162 LEU CA . 19614 1 1313 . 2 1 37 37 LEU CB C 13 40.219 0.115 . . . . . . 162 LEU CB . 19614 1 1314 . 2 1 37 37 LEU CD1 C 13 26.023 0.038 . . . . . . 162 LEU CD1 . 19614 1 1315 . 2 1 37 37 LEU CD2 C 13 22.533 0.055 . . . . . . 162 LEU CD2 . 19614 1 1316 . 2 1 37 37 LEU N N 15 121.236 0.025 . . . . . . 162 LEU N . 19614 1 1317 . 2 1 38 38 ASP H H 1 7.844 0.006 . . . . . . 163 ASP H . 19614 1 1318 . 2 1 38 38 ASP HA H 1 4.458 0.012 . . . . . . 163 ASP HA . 19614 1 1319 . 2 1 38 38 ASP HB2 H 1 2.766 0.007 . . . . . . 163 ASP HB2 . 19614 1 1320 . 2 1 38 38 ASP HB3 H 1 2.592 0.006 . . . . . . 163 ASP HB3 . 19614 1 1321 . 2 1 38 38 ASP C C 13 178.858 0.008 . . . . . . 163 ASP C . 19614 1 1322 . 2 1 38 38 ASP CA C 13 56.964 0.107 . . . . . . 163 ASP CA . 19614 1 1323 . 2 1 38 38 ASP CB C 13 40.822 0.138 . . . . . . 163 ASP CB . 19614 1 1324 . 2 1 38 38 ASP N N 15 117.983 0.027 . . . . . . 163 ASP N . 19614 1 1325 . 2 1 39 39 ALA H H 1 7.869 0.007 . . . . . . 164 ALA H . 19614 1 1326 . 2 1 39 39 ALA HA H 1 4.086 0.022 . . . . . . 164 ALA HA . 19614 1 1327 . 2 1 39 39 ALA HB1 H 1 1.244 0.009 . . . . . . 164 ALA MB . 19614 1 1328 . 2 1 39 39 ALA HB2 H 1 1.244 0.009 . . . . . . 164 ALA MB . 19614 1 1329 . 2 1 39 39 ALA HB3 H 1 1.244 0.009 . . . . . . 164 ALA MB . 19614 1 1330 . 2 1 39 39 ALA C C 13 179.354 0.003 . . . . . . 164 ALA C . 19614 1 1331 . 2 1 39 39 ALA CA C 13 54.396 0.218 . . . . . . 164 ALA CA . 19614 1 1332 . 2 1 39 39 ALA CB C 13 17.785 0.111 . . . . . . 164 ALA CB . 19614 1 1333 . 2 1 39 39 ALA N N 15 122.425 0.024 . . . . . . 164 ALA N . 19614 1 1334 . 2 1 40 40 LEU H H 1 7.669 0.006 . . . . . . 165 LEU H . 19614 1 1335 . 2 1 40 40 LEU HA H 1 4.222 0.007 . . . . . . 165 LEU HA . 19614 1 1336 . 2 1 40 40 LEU HB2 H 1 1.613 0.012 . . . . . . 165 LEU QB . 19614 1 1337 . 2 1 40 40 LEU HB3 H 1 1.613 0.012 . . . . . . 165 LEU QB . 19614 1 1338 . 2 1 40 40 LEU HG H 1 1.559 0.009 . . . . . . 165 LEU HG . 19614 1 1339 . 2 1 40 40 LEU HD11 H 1 0.757 0.008 . . . . . . 165 LEU HD1 . 19614 1 1340 . 2 1 40 40 LEU HD12 H 1 0.757 0.008 . . . . . . 165 LEU HD1 . 19614 1 1341 . 2 1 40 40 LEU HD13 H 1 0.757 0.008 . . . . . . 165 LEU HD1 . 19614 1 1342 . 2 1 40 40 LEU HD21 H 1 0.757 0.008 . . . . . . 165 LEU HD2 . 19614 1 1343 . 2 1 40 40 LEU HD22 H 1 0.757 0.008 . . . . . . 165 LEU HD2 . 19614 1 1344 . 2 1 40 40 LEU HD23 H 1 0.757 0.008 . . . . . . 165 LEU HD2 . 19614 1 1345 . 2 1 40 40 LEU C C 13 176.661 0.005 . . . . . . 165 LEU C . 19614 1 1346 . 2 1 40 40 LEU CA C 13 54.642 0.067 . . . . . . 165 LEU CA . 19614 1 1347 . 2 1 40 40 LEU CB C 13 41.957 0.121 . . . . . . 165 LEU CB . 19614 1 1348 . 2 1 40 40 LEU CG C 13 26.062 0.159 . . . . . . 165 LEU CG . 19614 1 1349 . 2 1 40 40 LEU CD1 C 13 22.525 0.050 . . . . . . 165 LEU CD1 . 19614 1 1350 . 2 1 40 40 LEU CD2 C 13 22.525 0.050 . . . . . . 165 LEU CD2 . 19614 1 1351 . 2 1 40 40 LEU N N 15 116.489 0.039 . . . . . . 165 LEU N . 19614 1 1352 . 2 1 41 41 LYS H H 1 7.806 0.007 . . . . . . 166 LYS H . 19614 1 1353 . 2 1 41 41 LYS HA H 1 4.058 0.010 . . . . . . 166 LYS HA . 19614 1 1354 . 2 1 41 41 LYS HB2 H 1 1.911 0.035 . . . . . . 166 LYS QB . 19614 1 1355 . 2 1 41 41 LYS HB3 H 1 1.911 0.035 . . . . . . 166 LYS QB . 19614 1 1356 . 2 1 41 41 LYS HG2 H 1 1.380 0.014 . . . . . . 166 LYS QG . 19614 1 1357 . 2 1 41 41 LYS HG3 H 1 1.380 0.014 . . . . . . 166 LYS QG . 19614 1 1358 . 2 1 41 41 LYS HE2 H 1 2.966 0.018 . . . . . . 166 LYS QE . 19614 1 1359 . 2 1 41 41 LYS HE3 H 1 2.966 0.018 . . . . . . 166 LYS QE . 19614 1 1360 . 2 1 41 41 LYS C C 13 176.651 0.012 . . . . . . 166 LYS C . 19614 1 1361 . 2 1 41 41 LYS CA C 13 57.100 0.152 . . . . . . 166 LYS CA . 19614 1 1362 . 2 1 41 41 LYS CB C 13 30.249 0.089 . . . . . . 166 LYS CB . 19614 1 1363 . 2 1 41 41 LYS CG C 13 24.732 0.067 . . . . . . 166 LYS CG . 19614 1 1364 . 2 1 41 41 LYS CD C 13 28.974 0.071 . . . . . . 166 LYS CD . 19614 1 1365 . 2 1 41 41 LYS CE C 13 42.404 0.000 . . . . . . 166 LYS CE . 19614 1 1366 . 2 1 41 41 LYS N N 15 118.229 0.031 . . . . . . 166 LYS N . 19614 1 1367 . 2 1 42 42 LYS H H 1 8.249 0.005 . . . . . . 167 LYS H . 19614 1 1368 . 2 1 42 42 LYS HA H 1 4.278 0.010 . . . . . . 167 LYS HA . 19614 1 1369 . 2 1 42 42 LYS HB2 H 1 1.617 0.026 . . . . . . 167 LYS QB . 19614 1 1370 . 2 1 42 42 LYS HB3 H 1 1.617 0.026 . . . . . . 167 LYS QB . 19614 1 1371 . 2 1 42 42 LYS HG2 H 1 1.339 0.008 . . . . . . 167 LYS QG . 19614 1 1372 . 2 1 42 42 LYS HG3 H 1 1.339 0.008 . . . . . . 167 LYS QG . 19614 1 1373 . 2 1 42 42 LYS HD2 H 1 1.538 0.003 . . . . . . 167 LYS QD . 19614 1 1374 . 2 1 42 42 LYS HD3 H 1 1.538 0.003 . . . . . . 167 LYS QD . 19614 1 1375 . 2 1 42 42 LYS HE2 H 1 2.903 0.008 . . . . . . 167 LYS QE . 19614 1 1376 . 2 1 42 42 LYS HE3 H 1 2.903 0.008 . . . . . . 167 LYS QE . 19614 1 1377 . 2 1 42 42 LYS C C 13 176.163 0.015 . . . . . . 167 LYS C . 19614 1 1378 . 2 1 42 42 LYS CA C 13 55.658 0.150 . . . . . . 167 LYS CA . 19614 1 1379 . 2 1 42 42 LYS CB C 13 33.462 0.086 . . . . . . 167 LYS CB . 19614 1 1380 . 2 1 42 42 LYS CG C 13 24.834 0.041 . . . . . . 167 LYS CG . 19614 1 1381 . 2 1 42 42 LYS CD C 13 28.699 0.090 . . . . . . 167 LYS CD . 19614 1 1382 . 2 1 42 42 LYS CE C 13 41.851 0.122 . . . . . . 167 LYS CE . 19614 1 1383 . 2 1 42 42 LYS N N 15 119.380 0.034 . . . . . . 167 LYS N . 19614 1 1384 . 2 1 43 43 ASP H H 1 8.350 0.005 . . . . . . 168 ASP H . 19614 1 1385 . 2 1 43 43 ASP HA H 1 4.601 0.017 . . . . . . 168 ASP HA . 19614 1 1386 . 2 1 43 43 ASP HB2 H 1 2.743 0.008 . . . . . . 168 ASP HB2 . 19614 1 1387 . 2 1 43 43 ASP HB3 H 1 2.659 0.006 . . . . . . 168 ASP HB3 . 19614 1 1388 . 2 1 43 43 ASP C C 13 177.001 0.018 . . . . . . 168 ASP C . 19614 1 1389 . 2 1 43 43 ASP CA C 13 54.192 0.153 . . . . . . 168 ASP CA . 19614 1 1390 . 2 1 43 43 ASP CB C 13 41.383 0.125 . . . . . . 168 ASP CB . 19614 1 1391 . 2 1 43 43 ASP N N 15 120.812 0.040 . . . . . . 168 ASP N . 19614 1 1392 . 2 1 44 44 SER H H 1 8.608 0.007 . . . . . . 169 SER H . 19614 1 1393 . 2 1 44 44 SER HA H 1 4.199 0.003 . . . . . . 169 SER HA . 19614 1 1394 . 2 1 44 44 SER HB2 H 1 3.864 0.013 . . . . . . 169 SER QB . 19614 1 1395 . 2 1 44 44 SER HB3 H 1 3.864 0.013 . . . . . . 169 SER QB . 19614 1 1396 . 2 1 44 44 SER C C 13 175.643 0.019 . . . . . . 169 SER C . 19614 1 1397 . 2 1 44 44 SER CA C 13 59.636 0.192 . . . . . . 169 SER CA . 19614 1 1398 . 2 1 44 44 SER CB C 13 63.237 0.163 . . . . . . 169 SER CB . 19614 1 1399 . 2 1 44 44 SER N N 15 119.061 0.107 . . . . . . 169 SER N . 19614 1 1400 . 2 1 45 45 SER H H 1 8.514 0.006 . . . . . . 170 SER H . 19614 1 1401 . 2 1 45 45 SER HA H 1 4.335 0.004 . . . . . . 170 SER HA . 19614 1 1402 . 2 1 45 45 SER HB2 H 1 3.939 0.026 . . . . . . 170 SER HB2 . 19614 1 1403 . 2 1 45 45 SER HB3 H 1 3.878 0.014 . . . . . . 170 SER HB3 . 19614 1 1404 . 2 1 45 45 SER C C 13 175.275 0.008 . . . . . . 170 SER C . 19614 1 1405 . 2 1 45 45 SER CA C 13 59.700 0.102 . . . . . . 170 SER CA . 19614 1 1406 . 2 1 45 45 SER CB C 13 63.243 0.157 . . . . . . 170 SER CB . 19614 1 1407 . 2 1 45 45 SER N N 15 118.325 0.026 . . . . . . 170 SER N . 19614 1 1408 . 2 1 46 46 ARG H H 1 7.965 0.006 . . . . . . 171 ARG H . 19614 1 1409 . 2 1 46 46 ARG HA H 1 4.231 0.012 . . . . . . 171 ARG HA . 19614 1 1410 . 2 1 46 46 ARG HB2 H 1 1.755 0.026 . . . . . . 171 ARG QB . 19614 1 1411 . 2 1 46 46 ARG HB3 H 1 1.755 0.026 . . . . . . 171 ARG QB . 19614 1 1412 . 2 1 46 46 ARG HG2 H 1 1.480 0.002 . . . . . . 171 ARG QG . 19614 1 1413 . 2 1 46 46 ARG HG3 H 1 1.480 0.002 . . . . . . 171 ARG QG . 19614 1 1414 . 2 1 46 46 ARG HD2 H 1 3.120 0.008 . . . . . . 171 ARG QD . 19614 1 1415 . 2 1 46 46 ARG HD3 H 1 3.120 0.008 . . . . . . 171 ARG QD . 19614 1 1416 . 2 1 46 46 ARG C C 13 176.223 0.016 . . . . . . 171 ARG C . 19614 1 1417 . 2 1 46 46 ARG CA C 13 56.368 0.109 . . . . . . 171 ARG CA . 19614 1 1418 . 2 1 46 46 ARG CB C 13 30.148 0.116 . . . . . . 171 ARG CB . 19614 1 1419 . 2 1 46 46 ARG CG C 13 27.047 0.074 . . . . . . 171 ARG CG . 19614 1 1420 . 2 1 46 46 ARG CD C 13 43.095 0.078 . . . . . . 171 ARG CD . 19614 1 1421 . 2 1 46 46 ARG N N 15 121.317 0.062 . . . . . . 171 ARG N . 19614 1 1422 . 2 1 47 47 HIS H H 1 8.036 0.008 . . . . . . 172 HIS H . 19614 1 1423 . 2 1 47 47 HIS HA H 1 4.663 0.005 . . . . . . 172 HIS HA . 19614 1 1424 . 2 1 47 47 HIS HB2 H 1 3.222 0.014 . . . . . . 172 HIS HB2 . 19614 1 1425 . 2 1 47 47 HIS HB3 H 1 2.933 0.019 . . . . . . 172 HIS HB3 . 19614 1 1426 . 2 1 47 47 HIS C C 13 175.122 0.016 . . . . . . 172 HIS C . 19614 1 1427 . 2 1 47 47 HIS CA C 13 55.935 0.120 . . . . . . 172 HIS CA . 19614 1 1428 . 2 1 47 47 HIS CB C 13 29.974 0.102 . . . . . . 172 HIS CB . 19614 1 1429 . 2 1 47 47 HIS N N 15 118.894 0.045 . . . . . . 172 HIS N . 19614 1 1430 . 2 1 48 48 SER H H 1 8.029 0.006 . . . . . . 173 SER H . 19614 1 1431 . 2 1 48 48 SER HA H 1 4.313 0.003 . . . . . . 173 SER HA . 19614 1 1432 . 2 1 48 48 SER HB2 H 1 3.835 0.008 . . . . . . 173 SER QB . 19614 1 1433 . 2 1 48 48 SER HB3 H 1 3.835 0.008 . . . . . . 173 SER QB . 19614 1 1434 . 2 1 48 48 SER C C 13 174.559 0.027 . . . . . . 173 SER C . 19614 1 1435 . 2 1 48 48 SER CA C 13 59.297 0.077 . . . . . . 173 SER CA . 19614 1 1436 . 2 1 48 48 SER CB C 13 63.522 0.027 . . . . . . 173 SER CB . 19614 1 1437 . 2 1 48 48 SER N N 15 116.302 0.051 . . . . . . 173 SER N . 19614 1 1438 . 2 1 49 49 LYS H H 1 8.394 0.005 . . . . . . 174 LYS H . 19614 1 1439 . 2 1 49 49 LYS HA H 1 4.336 0.008 . . . . . . 174 LYS HA . 19614 1 1440 . 2 1 49 49 LYS HB2 H 1 1.764 0.000 . . . . . . 174 LYS QB . 19614 1 1441 . 2 1 49 49 LYS HB3 H 1 1.764 0.000 . . . . . . 174 LYS QB . 19614 1 1442 . 2 1 49 49 LYS HG2 H 1 1.362 0.014 . . . . . . 174 LYS QG . 19614 1 1443 . 2 1 49 49 LYS HG3 H 1 1.362 0.014 . . . . . . 174 LYS QG . 19614 1 1444 . 2 1 49 49 LYS HD2 H 1 1.643 0.007 . . . . . . 174 LYS QD . 19614 1 1445 . 2 1 49 49 LYS HD3 H 1 1.643 0.007 . . . . . . 174 LYS QD . 19614 1 1446 . 2 1 49 49 LYS HE2 H 1 2.938 0.013 . . . . . . 174 LYS QE . 19614 1 1447 . 2 1 49 49 LYS HE3 H 1 2.938 0.013 . . . . . . 174 LYS QE . 19614 1 1448 . 2 1 49 49 LYS C C 13 175.929 0.042 . . . . . . 174 LYS C . 19614 1 1449 . 2 1 49 49 LYS CA C 13 55.918 0.164 . . . . . . 174 LYS CA . 19614 1 1450 . 2 1 49 49 LYS CB C 13 32.143 0.139 . . . . . . 174 LYS CB . 19614 1 1451 . 2 1 49 49 LYS CG C 13 24.602 0.000 . . . . . . 174 LYS CG . 19614 1 1452 . 2 1 49 49 LYS CD C 13 28.974 0.075 . . . . . . 174 LYS CD . 19614 1 1453 . 2 1 49 49 LYS CE C 13 42.197 0.000 . . . . . . 174 LYS CE . 19614 1 1454 . 2 1 49 49 LYS N N 15 122.545 0.068 . . . . . . 174 LYS N . 19614 1 1455 . 2 1 50 50 LEU H H 1 7.943 0.008 . . . . . . 175 LEU H . 19614 1 1456 . 2 1 50 50 LEU HA H 1 4.402 0.022 . . . . . . 175 LEU HA . 19614 1 1457 . 2 1 50 50 LEU HB2 H 1 1.608 0.008 . . . . . . 175 LEU HB2 . 19614 1 1458 . 2 1 50 50 LEU HB3 H 1 1.373 0.009 . . . . . . 175 LEU HB3 . 19614 1 1459 . 2 1 50 50 LEU HG H 1 1.644 0.010 . . . . . . 175 LEU HG . 19614 1 1460 . 2 1 50 50 LEU HD11 H 1 0.843 0.007 . . . . . . 175 LEU HD1 . 19614 1 1461 . 2 1 50 50 LEU HD12 H 1 0.843 0.007 . . . . . . 175 LEU HD1 . 19614 1 1462 . 2 1 50 50 LEU HD13 H 1 0.843 0.007 . . . . . . 175 LEU HD1 . 19614 1 1463 . 2 1 50 50 LEU HD21 H 1 0.809 0.007 . . . . . . 175 LEU HD2 . 19614 1 1464 . 2 1 50 50 LEU HD22 H 1 0.809 0.007 . . . . . . 175 LEU HD2 . 19614 1 1465 . 2 1 50 50 LEU HD23 H 1 0.809 0.007 . . . . . . 175 LEU HD2 . 19614 1 1466 . 2 1 50 50 LEU C C 13 176.575 0.008 . . . . . . 175 LEU C . 19614 1 1467 . 2 1 50 50 LEU CA C 13 54.697 0.130 . . . . . . 175 LEU CA . 19614 1 1468 . 2 1 50 50 LEU CB C 13 43.481 0.097 . . . . . . 175 LEU CB . 19614 1 1469 . 2 1 50 50 LEU CG C 13 26.652 0.166 . . . . . . 175 LEU CG . 19614 1 1470 . 2 1 50 50 LEU CD1 C 13 26.206 0.101 . . . . . . 175 LEU CD1 . 19614 1 1471 . 2 1 50 50 LEU CD2 C 13 23.968 0.106 . . . . . . 175 LEU CD2 . 19614 1 1472 . 2 1 50 50 LEU N N 15 123.393 0.022 . . . . . . 175 LEU N . 19614 1 1473 . 2 1 51 51 GLU H H 1 9.136 0.005 . . . . . . 176 GLU H . 19614 1 1474 . 2 1 51 51 GLU HA H 1 4.551 0.004 . . . . . . 176 GLU HA . 19614 1 1475 . 2 1 51 51 GLU HB2 H 1 2.356 0.003 . . . . . . 176 GLU HB2 . 19614 1 1476 . 2 1 51 51 GLU HB3 H 1 2.008 0.011 . . . . . . 176 GLU HB3 . 19614 1 1477 . 2 1 51 51 GLU HG2 H 1 2.379 0.007 . . . . . . 176 GLU HG2 . 19614 1 1478 . 2 1 51 51 GLU HG3 H 1 2.344 0.011 . . . . . . 176 GLU HG3 . 19614 1 1479 . 2 1 51 51 GLU C C 13 177.445 0.005 . . . . . . 176 GLU C . 19614 1 1480 . 2 1 51 51 GLU CA C 13 54.962 0.075 . . . . . . 176 GLU CA . 19614 1 1481 . 2 1 51 51 GLU CB C 13 31.245 0.098 . . . . . . 176 GLU CB . 19614 1 1482 . 2 1 51 51 GLU CG C 13 36.501 0.029 . . . . . . 176 GLU CG . 19614 1 1483 . 2 1 51 51 GLU N N 15 123.357 0.038 . . . . . . 176 GLU N . 19614 1 1484 . 2 1 52 52 LYS H H 1 8.858 0.006 . . . . . . 177 LYS H . 19614 1 1485 . 2 1 52 52 LYS HA H 1 3.830 0.009 . . . . . . 177 LYS HA . 19614 1 1486 . 2 1 52 52 LYS HB2 H 1 1.863 0.005 . . . . . . 177 LYS QB . 19614 1 1487 . 2 1 52 52 LYS HB3 H 1 1.863 0.005 . . . . . . 177 LYS QB . 19614 1 1488 . 2 1 52 52 LYS HG2 H 1 1.527 0.002 . . . . . . 177 LYS HG2 . 19614 1 1489 . 2 1 52 52 LYS HG3 H 1 1.340 0.009 . . . . . . 177 LYS HG3 . 19614 1 1490 . 2 1 52 52 LYS HD2 H 1 1.707 0.017 . . . . . . 177 LYS QD . 19614 1 1491 . 2 1 52 52 LYS HD3 H 1 1.707 0.017 . . . . . . 177 LYS QD . 19614 1 1492 . 2 1 52 52 LYS HE2 H 1 2.934 0.014 . . . . . . 177 LYS QE . 19614 1 1493 . 2 1 52 52 LYS HE3 H 1 2.934 0.014 . . . . . . 177 LYS QE . 19614 1 1494 . 2 1 52 52 LYS C C 13 177.908 0.025 . . . . . . 177 LYS C . 19614 1 1495 . 2 1 52 52 LYS CA C 13 61.105 0.145 . . . . . . 177 LYS CA . 19614 1 1496 . 2 1 52 52 LYS CB C 13 32.423 0.199 . . . . . . 177 LYS CB . 19614 1 1497 . 2 1 52 52 LYS CG C 13 24.964 0.132 . . . . . . 177 LYS CG . 19614 1 1498 . 2 1 52 52 LYS CD C 13 29.430 0.102 . . . . . . 177 LYS CD . 19614 1 1499 . 2 1 52 52 LYS CE C 13 41.891 0.194 . . . . . . 177 LYS CE . 19614 1 1500 . 2 1 52 52 LYS N N 15 122.655 0.037 . . . . . . 177 LYS N . 19614 1 1501 . 2 1 53 53 ALA H H 1 9.131 0.004 . . . . . . 178 ALA H . 19614 1 1502 . 2 1 53 53 ALA HA H 1 3.892 0.006 . . . . . . 178 ALA HA . 19614 1 1503 . 2 1 53 53 ALA HB1 H 1 1.278 0.014 . . . . . . 178 ALA MB . 19614 1 1504 . 2 1 53 53 ALA HB2 H 1 1.278 0.014 . . . . . . 178 ALA MB . 19614 1 1505 . 2 1 53 53 ALA HB3 H 1 1.278 0.014 . . . . . . 178 ALA MB . 19614 1 1506 . 2 1 53 53 ALA C C 13 179.758 0.012 . . . . . . 178 ALA C . 19614 1 1507 . 2 1 53 53 ALA CA C 13 55.456 0.111 . . . . . . 178 ALA CA . 19614 1 1508 . 2 1 53 53 ALA CB C 13 17.839 0.097 . . . . . . 178 ALA CB . 19614 1 1509 . 2 1 53 53 ALA N N 15 118.008 0.054 . . . . . . 178 ALA N . 19614 1 1510 . 2 1 54 54 ASP H H 1 7.052 0.010 . . . . . . 179 ASP H . 19614 1 1511 . 2 1 54 54 ASP HA H 1 4.346 0.012 . . . . . . 179 ASP HA . 19614 1 1512 . 2 1 54 54 ASP HB2 H 1 2.902 0.006 . . . . . . 179 ASP HB2 . 19614 1 1513 . 2 1 54 54 ASP HB3 H 1 2.699 0.009 . . . . . . 179 ASP HB3 . 19614 1 1514 . 2 1 54 54 ASP C C 13 178.104 0.000 . . . . . . 179 ASP C . 19614 1 1515 . 2 1 54 54 ASP CA C 13 57.088 0.182 . . . . . . 179 ASP CA . 19614 1 1516 . 2 1 54 54 ASP CB C 13 41.728 0.141 . . . . . . 179 ASP CB . 19614 1 1517 . 2 1 54 54 ASP N N 15 114.744 0.044 . . . . . . 179 ASP N . 19614 1 1518 . 2 1 55 55 ILE H H 1 7.983 0.007 . . . . . . 180 ILE H . 19614 1 1519 . 2 1 55 55 ILE HA H 1 3.592 0.007 . . . . . . 180 ILE HA . 19614 1 1520 . 2 1 55 55 ILE HB H 1 1.989 0.008 . . . . . . 180 ILE HB . 19614 1 1521 . 2 1 55 55 ILE HG12 H 1 0.984 0.010 . . . . . . 180 ILE QG1 . 19614 1 1522 . 2 1 55 55 ILE HG13 H 1 0.984 0.010 . . . . . . 180 ILE QG1 . 19614 1 1523 . 2 1 55 55 ILE HG21 H 1 0.758 0.007 . . . . . . 180 ILE HG2 . 19614 1 1524 . 2 1 55 55 ILE HG22 H 1 0.758 0.007 . . . . . . 180 ILE HG2 . 19614 1 1525 . 2 1 55 55 ILE HG23 H 1 0.758 0.007 . . . . . . 180 ILE HG2 . 19614 1 1526 . 2 1 55 55 ILE HD11 H 1 0.750 0.004 . . . . . . 180 ILE HD1 . 19614 1 1527 . 2 1 55 55 ILE HD12 H 1 0.750 0.004 . . . . . . 180 ILE HD1 . 19614 1 1528 . 2 1 55 55 ILE HD13 H 1 0.750 0.004 . . . . . . 180 ILE HD1 . 19614 1 1529 . 2 1 55 55 ILE C C 13 179.567 0.000 . . . . . . 180 ILE C . 19614 1 1530 . 2 1 55 55 ILE CA C 13 64.201 0.098 . . . . . . 180 ILE CA . 19614 1 1531 . 2 1 55 55 ILE CB C 13 37.514 0.125 . . . . . . 180 ILE CB . 19614 1 1532 . 2 1 55 55 ILE CG1 C 13 28.992 0.091 . . . . . . 180 ILE CG1 . 19614 1 1533 . 2 1 55 55 ILE CG2 C 13 17.262 0.034 . . . . . . 180 ILE CG2 . 19614 1 1534 . 2 1 55 55 ILE CD1 C 13 12.868 0.075 . . . . . . 180 ILE CD1 . 19614 1 1535 . 2 1 55 55 ILE N N 15 119.398 0.062 . . . . . . 180 ILE N . 19614 1 1536 . 2 1 56 56 LEU H H 1 8.171 0.010 . . . . . . 181 LEU H . 19614 1 1537 . 2 1 56 56 LEU HA H 1 3.931 0.019 . . . . . . 181 LEU HA . 19614 1 1538 . 2 1 56 56 LEU HD11 H 1 0.861 0.020 . . . . . . 181 LEU MD1 . 19614 1 1539 . 2 1 56 56 LEU HD12 H 1 0.861 0.020 . . . . . . 181 LEU MD1 . 19614 1 1540 . 2 1 56 56 LEU HD13 H 1 0.861 0.020 . . . . . . 181 LEU MD1 . 19614 1 1541 . 2 1 56 56 LEU HD21 H 1 0.681 0.008 . . . . . . 181 LEU MD2 . 19614 1 1542 . 2 1 56 56 LEU HD22 H 1 0.681 0.008 . . . . . . 181 LEU MD2 . 19614 1 1543 . 2 1 56 56 LEU HD23 H 1 0.681 0.008 . . . . . . 181 LEU MD2 . 19614 1 1544 . 2 1 56 56 LEU C C 13 178.312 0.000 . . . . . . 181 LEU C . 19614 1 1545 . 2 1 56 56 LEU CA C 13 58.588 0.039 . . . . . . 181 LEU CA . 19614 1 1546 . 2 1 56 56 LEU CB C 13 41.727 0.113 . . . . . . 181 LEU CB . 19614 1 1547 . 2 1 56 56 LEU CD1 C 13 26.548 0.142 . . . . . . 181 LEU CD1 . 19614 1 1548 . 2 1 56 56 LEU CD2 C 13 22.806 0.048 . . . . . . 181 LEU CD2 . 19614 1 1549 . 2 1 56 56 LEU N N 15 120.930 0.037 . . . . . . 181 LEU N . 19614 1 1550 . 2 1 57 57 GLU H H 1 7.984 0.010 . . . . . . 182 GLU H . 19614 1 1551 . 2 1 57 57 GLU HA H 1 3.917 0.008 . . . . . . 182 GLU HA . 19614 1 1552 . 2 1 57 57 GLU HB2 H 1 2.265 0.015 . . . . . . 182 GLU HB2 . 19614 1 1553 . 2 1 57 57 GLU HB3 H 1 1.994 0.009 . . . . . . 182 GLU HB3 . 19614 1 1554 . 2 1 57 57 GLU HG2 H 1 2.543 0.009 . . . . . . 182 GLU HG2 . 19614 1 1555 . 2 1 57 57 GLU HG3 H 1 2.297 0.008 . . . . . . 182 GLU HG3 . 19614 1 1556 . 2 1 57 57 GLU C C 13 180.151 0.002 . . . . . . 182 GLU C . 19614 1 1557 . 2 1 57 57 GLU CA C 13 59.864 0.101 . . . . . . 182 GLU CA . 19614 1 1558 . 2 1 57 57 GLU CB C 13 29.364 0.150 . . . . . . 182 GLU CB . 19614 1 1559 . 2 1 57 57 GLU CG C 13 37.035 0.110 . . . . . . 182 GLU CG . 19614 1 1560 . 2 1 57 57 GLU N N 15 119.314 0.076 . . . . . . 182 GLU N . 19614 1 1561 . 2 1 58 58 MET H H 1 8.639 0.005 . . . . . . 183 MET H . 19614 1 1562 . 2 1 58 58 MET HA H 1 4.033 0.007 . . . . . . 183 MET HA . 19614 1 1563 . 2 1 58 58 MET HG2 H 1 2.713 0.005 . . . . . . 183 MET HG2 . 19614 1 1564 . 2 1 58 58 MET HG3 H 1 2.545 0.009 . . . . . . 183 MET HG3 . 19614 1 1565 . 2 1 58 58 MET C C 13 178.488 0.017 . . . . . . 183 MET C . 19614 1 1566 . 2 1 58 58 MET CA C 13 59.083 0.045 . . . . . . 183 MET CA . 19614 1 1567 . 2 1 58 58 MET CB C 13 33.883 0.146 . . . . . . 183 MET CB . 19614 1 1568 . 2 1 58 58 MET CG C 13 32.422 0.080 . . . . . . 183 MET CG . 19614 1 1569 . 2 1 58 58 MET N N 15 118.669 0.031 . . . . . . 183 MET N . 19614 1 1570 . 2 1 59 59 THR H H 1 7.946 0.007 . . . . . . 184 THR H . 19614 1 1571 . 2 1 59 59 THR HA H 1 3.853 0.014 . . . . . . 184 THR HA . 19614 1 1572 . 2 1 59 59 THR HB H 1 4.448 0.015 . . . . . . 184 THR HB . 19614 1 1573 . 2 1 59 59 THR HG21 H 1 1.169 0.006 . . . . . . 184 THR HG2 . 19614 1 1574 . 2 1 59 59 THR HG22 H 1 1.169 0.006 . . . . . . 184 THR HG2 . 19614 1 1575 . 2 1 59 59 THR HG23 H 1 1.169 0.006 . . . . . . 184 THR HG2 . 19614 1 1576 . 2 1 59 59 THR C C 13 175.659 0.000 . . . . . . 184 THR C . 19614 1 1577 . 2 1 59 59 THR CA C 13 68.029 0.095 . . . . . . 184 THR CA . 19614 1 1578 . 2 1 59 59 THR CB C 13 67.595 0.122 . . . . . . 184 THR CB . 19614 1 1579 . 2 1 59 59 THR CG2 C 13 22.295 0.136 . . . . . . 184 THR CG2 . 19614 1 1580 . 2 1 59 59 THR N N 15 118.733 0.051 . . . . . . 184 THR N . 19614 1 1581 . 2 1 60 60 VAL H H 1 8.089 0.011 . . . . . . 185 VAL H . 19614 1 1582 . 2 1 60 60 VAL HA H 1 3.311 0.005 . . . . . . 185 VAL HA . 19614 1 1583 . 2 1 60 60 VAL HB H 1 2.165 0.007 . . . . . . 185 VAL HB . 19614 1 1584 . 2 1 60 60 VAL HG11 H 1 1.095 0.006 . . . . . . 185 VAL MG1 . 19614 1 1585 . 2 1 60 60 VAL HG12 H 1 1.095 0.006 . . . . . . 185 VAL MG1 . 19614 1 1586 . 2 1 60 60 VAL HG13 H 1 1.095 0.006 . . . . . . 185 VAL MG1 . 19614 1 1587 . 2 1 60 60 VAL HG21 H 1 0.865 0.007 . . . . . . 185 VAL MG2 . 19614 1 1588 . 2 1 60 60 VAL HG22 H 1 0.865 0.007 . . . . . . 185 VAL MG2 . 19614 1 1589 . 2 1 60 60 VAL HG23 H 1 0.865 0.007 . . . . . . 185 VAL MG2 . 19614 1 1590 . 2 1 60 60 VAL C C 13 177.078 0.000 . . . . . . 185 VAL C . 19614 1 1591 . 2 1 60 60 VAL CA C 13 67.381 0.631 . . . . . . 185 VAL CA . 19614 1 1592 . 2 1 60 60 VAL CB C 13 32.168 0.149 . . . . . . 185 VAL CB . 19614 1 1593 . 2 1 60 60 VAL CG1 C 13 24.532 0.050 . . . . . . 185 VAL CG1 . 19614 1 1594 . 2 1 60 60 VAL CG2 C 13 20.997 0.071 . . . . . . 185 VAL CG2 . 19614 1 1595 . 2 1 60 60 VAL N N 15 122.083 0.072 . . . . . . 185 VAL N . 19614 1 1596 . 2 1 61 61 LYS H H 1 7.785 0.010 . . . . . . 186 LYS H . 19614 1 1597 . 2 1 61 61 LYS HA H 1 3.835 0.009 . . . . . . 186 LYS HA . 19614 1 1598 . 2 1 61 61 LYS HB2 H 1 1.891 0.007 . . . . . . 186 LYS QB . 19614 1 1599 . 2 1 61 61 LYS HB3 H 1 1.891 0.007 . . . . . . 186 LYS QB . 19614 1 1600 . 2 1 61 61 LYS HG2 H 1 1.568 0.006 . . . . . . 186 LYS HG2 . 19614 1 1601 . 2 1 61 61 LYS HG3 H 1 1.408 0.004 . . . . . . 186 LYS HG3 . 19614 1 1602 . 2 1 61 61 LYS HD2 H 1 1.676 0.006 . . . . . . 186 LYS QD . 19614 1 1603 . 2 1 61 61 LYS HD3 H 1 1.676 0.006 . . . . . . 186 LYS QD . 19614 1 1604 . 2 1 61 61 LYS HE2 H 1 2.945 0.005 . . . . . . 186 LYS QE . 19614 1 1605 . 2 1 61 61 LYS HE3 H 1 2.945 0.005 . . . . . . 186 LYS QE . 19614 1 1606 . 2 1 61 61 LYS C C 13 178.617 0.003 . . . . . . 186 LYS C . 19614 1 1607 . 2 1 61 61 LYS CA C 13 60.014 0.133 . . . . . . 186 LYS CA . 19614 1 1608 . 2 1 61 61 LYS CB C 13 32.336 0.129 . . . . . . 186 LYS CB . 19614 1 1609 . 2 1 61 61 LYS CG C 13 25.447 0.107 . . . . . . 186 LYS CG . 19614 1 1610 . 2 1 61 61 LYS CD C 13 29.410 0.098 . . . . . . 186 LYS CD . 19614 1 1611 . 2 1 61 61 LYS N N 15 117.409 0.052 . . . . . . 186 LYS N . 19614 1 1612 . 2 1 62 62 HIS H H 1 8.055 0.008 . . . . . . 187 HIS H . 19614 1 1613 . 2 1 62 62 HIS HA H 1 4.513 0.012 . . . . . . 187 HIS HA . 19614 1 1614 . 2 1 62 62 HIS HB2 H 1 3.177 0.013 . . . . . . 187 HIS HB2 . 19614 1 1615 . 2 1 62 62 HIS HB3 H 1 3.102 0.011 . . . . . . 187 HIS HB3 . 19614 1 1616 . 2 1 62 62 HIS C C 13 177.356 0.020 . . . . . . 187 HIS C . 19614 1 1617 . 2 1 62 62 HIS CA C 13 59.368 0.111 . . . . . . 187 HIS CA . 19614 1 1618 . 2 1 62 62 HIS CB C 13 32.047 0.065 . . . . . . 187 HIS CB . 19614 1 1619 . 2 1 62 62 HIS N N 15 118.731 0.039 . . . . . . 187 HIS N . 19614 1 1620 . 2 1 63 63 LEU H H 1 8.450 0.005 . . . . . . 188 LEU H . 19614 1 1621 . 2 1 63 63 LEU HD11 H 1 0.858 0.008 . . . . . . 188 LEU HD1 . 19614 1 1622 . 2 1 63 63 LEU HD12 H 1 0.858 0.008 . . . . . . 188 LEU HD1 . 19614 1 1623 . 2 1 63 63 LEU HD13 H 1 0.858 0.008 . . . . . . 188 LEU HD1 . 19614 1 1624 . 2 1 63 63 LEU HD21 H 1 0.858 0.008 . . . . . . 188 LEU HD2 . 19614 1 1625 . 2 1 63 63 LEU HD22 H 1 0.858 0.008 . . . . . . 188 LEU HD2 . 19614 1 1626 . 2 1 63 63 LEU HD23 H 1 0.858 0.008 . . . . . . 188 LEU HD2 . 19614 1 1627 . 2 1 63 63 LEU C C 13 180.158 0.000 . . . . . . 188 LEU C . 19614 1 1628 . 2 1 63 63 LEU CA C 13 57.927 0.075 . . . . . . 188 LEU CA . 19614 1 1629 . 2 1 63 63 LEU CB C 13 41.748 0.000 . . . . . . 188 LEU CB . 19614 1 1630 . 2 1 63 63 LEU N N 15 117.189 0.041 . . . . . . 188 LEU N . 19614 1 1631 . 2 1 64 64 ARG H H 1 8.616 0.006 . . . . . . 189 ARG H . 19614 1 1632 . 2 1 64 64 ARG HA H 1 3.901 0.011 . . . . . . 189 ARG HA . 19614 1 1633 . 2 1 64 64 ARG HB2 H 1 1.861 0.004 . . . . . . 189 ARG QB . 19614 1 1634 . 2 1 64 64 ARG HB3 H 1 1.861 0.004 . . . . . . 189 ARG QB . 19614 1 1635 . 2 1 64 64 ARG HD2 H 1 3.122 0.010 . . . . . . 189 ARG QD . 19614 1 1636 . 2 1 64 64 ARG HD3 H 1 3.122 0.010 . . . . . . 189 ARG QD . 19614 1 1637 . 2 1 64 64 ARG C C 13 178.875 0.009 . . . . . . 189 ARG C . 19614 1 1638 . 2 1 64 64 ARG CA C 13 59.667 0.171 . . . . . . 189 ARG CA . 19614 1 1639 . 2 1 64 64 ARG CB C 13 29.542 0.170 . . . . . . 189 ARG CB . 19614 1 1640 . 2 1 64 64 ARG CG C 13 28.348 0.000 . . . . . . 189 ARG CG . 19614 1 1641 . 2 1 64 64 ARG CD C 13 43.420 0.058 . . . . . . 189 ARG CD . 19614 1 1642 . 2 1 64 64 ARG N N 15 119.542 0.050 . . . . . . 189 ARG N . 19614 1 1643 . 2 1 65 65 ASN H H 1 7.935 0.006 . . . . . . 190 ASN H . 19614 1 1644 . 2 1 65 65 ASN HA H 1 4.478 0.008 . . . . . . 190 ASN HA . 19614 1 1645 . 2 1 65 65 ASN HB2 H 1 3.036 0.006 . . . . . . 190 ASN HB2 . 19614 1 1646 . 2 1 65 65 ASN HB3 H 1 2.850 0.004 . . . . . . 190 ASN HB3 . 19614 1 1647 . 2 1 65 65 ASN HD21 H 1 6.870 0.002 . . . . . . 190 ASN HD21 . 19614 1 1648 . 2 1 65 65 ASN HD22 H 1 7.931 0.001 . . . . . . 190 ASN HD22 . 19614 1 1649 . 2 1 65 65 ASN C C 13 177.824 0.023 . . . . . . 190 ASN C . 19614 1 1650 . 2 1 65 65 ASN CA C 13 55.393 0.111 . . . . . . 190 ASN CA . 19614 1 1651 . 2 1 65 65 ASN CB C 13 37.874 0.110 . . . . . . 190 ASN CB . 19614 1 1652 . 2 1 65 65 ASN N N 15 118.676 0.034 . . . . . . 190 ASN N . 19614 1 1653 . 2 1 65 65 ASN ND2 N 15 112.593 0.024 . . . . . . 190 ASN ND2 . 19614 1 1654 . 2 1 66 66 LEU H H 1 7.890 0.008 . . . . . . 191 LEU H . 19614 1 1655 . 2 1 66 66 LEU HA H 1 4.045 0.007 . . . . . . 191 LEU HA . 19614 1 1656 . 2 1 66 66 LEU HB2 H 1 1.696 0.009 . . . . . . 191 LEU HB2 . 19614 1 1657 . 2 1 66 66 LEU HB3 H 1 1.556 0.014 . . . . . . 191 LEU HB3 . 19614 1 1658 . 2 1 66 66 LEU HG H 1 1.393 0.006 . . . . . . 191 LEU HG . 19614 1 1659 . 2 1 66 66 LEU HD11 H 1 0.585 0.001 . . . . . . 191 LEU MD1 . 19614 1 1660 . 2 1 66 66 LEU HD12 H 1 0.585 0.001 . . . . . . 191 LEU MD1 . 19614 1 1661 . 2 1 66 66 LEU HD13 H 1 0.585 0.001 . . . . . . 191 LEU MD1 . 19614 1 1662 . 2 1 66 66 LEU HD21 H 1 0.682 0.004 . . . . . . 191 LEU MD2 . 19614 1 1663 . 2 1 66 66 LEU HD22 H 1 0.682 0.004 . . . . . . 191 LEU MD2 . 19614 1 1664 . 2 1 66 66 LEU HD23 H 1 0.682 0.004 . . . . . . 191 LEU MD2 . 19614 1 1665 . 2 1 66 66 LEU C C 13 178.707 0.008 . . . . . . 191 LEU C . 19614 1 1666 . 2 1 66 66 LEU CA C 13 56.705 0.135 . . . . . . 191 LEU CA . 19614 1 1667 . 2 1 66 66 LEU CB C 13 41.918 0.113 . . . . . . 191 LEU CB . 19614 1 1668 . 2 1 66 66 LEU CG C 13 26.145 0.023 . . . . . . 191 LEU CG . 19614 1 1669 . 2 1 66 66 LEU CD1 C 13 25.472 0.064 . . . . . . 191 LEU CD1 . 19614 1 1670 . 2 1 66 66 LEU CD2 C 13 22.386 0.075 . . . . . . 191 LEU CD2 . 19614 1 1671 . 2 1 66 66 LEU N N 15 119.885 0.036 . . . . . . 191 LEU N . 19614 1 1672 . 2 1 67 67 GLN H H 1 7.683 0.009 . . . . . . 192 GLN H . 19614 1 1673 . 2 1 67 67 GLN HA H 1 4.149 0.008 . . . . . . 192 GLN HA . 19614 1 1674 . 2 1 67 67 GLN HB2 H 1 2.152 0.002 . . . . . . 192 GLN HB2 . 19614 1 1675 . 2 1 67 67 GLN HB3 H 1 2.081 0.003 . . . . . . 192 GLN HB3 . 19614 1 1676 . 2 1 67 67 GLN HG2 H 1 2.493 0.006 . . . . . . 192 GLN HG2 . 19614 1 1677 . 2 1 67 67 GLN HG3 H 1 2.315 0.005 . . . . . . 192 GLN HG3 . 19614 1 1678 . 2 1 67 67 GLN HE21 H 1 7.532 0.002 . . . . . . 192 GLN HE21 . 19614 1 1679 . 2 1 67 67 GLN HE22 H 1 6.872 0.003 . . . . . . 192 GLN HE22 . 19614 1 1680 . 2 1 67 67 GLN C C 13 176.562 0.008 . . . . . . 192 GLN C . 19614 1 1681 . 2 1 67 67 GLN CA C 13 57.055 0.104 . . . . . . 192 GLN CA . 19614 1 1682 . 2 1 67 67 GLN CB C 13 28.937 0.112 . . . . . . 192 GLN CB . 19614 1 1683 . 2 1 67 67 GLN CG C 13 34.182 0.013 . . . . . . 192 GLN CG . 19614 1 1684 . 2 1 67 67 GLN N N 15 118.288 0.029 . . . . . . 192 GLN N . 19614 1 1685 . 2 1 67 67 GLN NE2 N 15 111.598 0.027 . . . . . . 192 GLN NE2 . 19614 1 1686 . 2 1 68 68 ARG H H 1 7.786 0.005 . . . . . . 193 ARG H . 19614 1 1687 . 2 1 68 68 ARG HA H 1 4.238 0.009 . . . . . . 193 ARG HA . 19614 1 1688 . 2 1 68 68 ARG HB2 H 1 1.863 0.005 . . . . . . 193 ARG QB . 19614 1 1689 . 2 1 68 68 ARG HB3 H 1 1.863 0.005 . . . . . . 193 ARG QB . 19614 1 1690 . 2 1 68 68 ARG HG2 H 1 1.790 0.046 . . . . . . 193 ARG QG . 19614 1 1691 . 2 1 68 68 ARG HG3 H 1 1.790 0.046 . . . . . . 193 ARG QG . 19614 1 1692 . 2 1 68 68 ARG HD2 H 1 3.194 0.005 . . . . . . 193 ARG QD . 19614 1 1693 . 2 1 68 68 ARG HD3 H 1 3.194 0.005 . . . . . . 193 ARG QD . 19614 1 1694 . 2 1 68 68 ARG C C 13 175.928 0.014 . . . . . . 193 ARG C . 19614 1 1695 . 2 1 68 68 ARG CA C 13 56.467 0.092 . . . . . . 193 ARG CA . 19614 1 1696 . 2 1 68 68 ARG CB C 13 30.459 0.116 . . . . . . 193 ARG CB . 19614 1 1697 . 2 1 68 68 ARG CG C 13 27.092 0.000 . . . . . . 193 ARG CG . 19614 1 1698 . 2 1 68 68 ARG CD C 13 43.397 0.028 . . . . . . 193 ARG CD . 19614 1 1699 . 2 1 68 68 ARG N N 15 119.664 0.019 . . . . . . 193 ARG N . 19614 1 1700 . 2 1 69 69 ALA H H 1 8.017 0.005 . . . . . . 194 ALA H . 19614 1 1701 . 2 1 69 69 ALA HA H 1 4.308 0.012 . . . . . . 194 ALA HA . 19614 1 1702 . 2 1 69 69 ALA HB1 H 1 1.386 0.006 . . . . . . 194 ALA MB . 19614 1 1703 . 2 1 69 69 ALA HB2 H 1 1.386 0.006 . . . . . . 194 ALA MB . 19614 1 1704 . 2 1 69 69 ALA HB3 H 1 1.386 0.006 . . . . . . 194 ALA MB . 19614 1 1705 . 2 1 69 69 ALA C C 13 176.753 0.010 . . . . . . 194 ALA C . 19614 1 1706 . 2 1 69 69 ALA CA C 13 52.465 0.118 . . . . . . 194 ALA CA . 19614 1 1707 . 2 1 69 69 ALA CB C 13 19.023 0.072 . . . . . . 194 ALA CB . 19614 1 1708 . 2 1 69 69 ALA N N 15 124.562 0.026 . . . . . . 194 ALA N . 19614 1 1709 . 2 1 70 70 GLN H H 1 7.860 0.005 . . . . . . 195 GLN H . 19614 1 1710 . 2 1 70 70 GLN HA H 1 4.102 0.008 . . . . . . 195 GLN HA . 19614 1 1711 . 2 1 70 70 GLN HB2 H 1 1.912 0.006 . . . . . . 195 GLN QB . 19614 1 1712 . 2 1 70 70 GLN HB3 H 1 1.912 0.006 . . . . . . 195 GLN QB . 19614 1 1713 . 2 1 70 70 GLN HG2 H 1 2.309 0.005 . . . . . . 195 GLN HG2 . 19614 1 1714 . 2 1 70 70 GLN HG3 H 1 2.097 0.004 . . . . . . 195 GLN HG3 . 19614 1 1715 . 2 1 70 70 GLN HE21 H 1 7.561 0.003 . . . . . . 195 GLN HE21 . 19614 1 1716 . 2 1 70 70 GLN HE22 H 1 6.858 0.006 . . . . . . 195 GLN HE22 . 19614 1 1717 . 2 1 70 70 GLN C C 13 180.615 0.000 . . . . . . 195 GLN C . 19614 1 1718 . 2 1 70 70 GLN CA C 13 57.324 0.054 . . . . . . 195 GLN CA . 19614 1 1719 . 2 1 70 70 GLN CB C 13 30.359 0.035 . . . . . . 195 GLN CB . 19614 1 1720 . 2 1 70 70 GLN CG C 13 34.330 0.000 . . . . . . 195 GLN CG . 19614 1 1721 . 2 1 70 70 GLN N N 15 124.520 0.018 . . . . . . 195 GLN N . 19614 1 1722 . 2 1 70 70 GLN NE2 N 15 112.689 0.070 . . . . . . 195 GLN NE2 . 19614 1 stop_ save_