data_11320 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11320 _Entry.Title ; solution structure of the sh3 domain-binding glutamic acid-rich-like protein 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 K. Miyamoto . . . 11320 2 S. Koshiba . . . 11320 3 M. Inoue . . . 11320 4 T. Kigawa . . . 11320 5 S. Yokoyama . . . 11320 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11320 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11320 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 484 11320 '15N chemical shifts' 110 11320 '1H chemical shifts' 755 11320 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-19 2010-08-10 original author . 11320 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CT6 'BMRB Entry Tracking System' 11320 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11320 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'solution structure of the sh3 domain-binding glutamic acid-rich-like protein 2' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 K. Miyamoto . . . 11320 1 2 S. Koshiba . . . 11320 1 3 M. Inoue . . . 11320 1 4 T. Kigawa . . . 11320 1 5 S. Yokoyama . . . 11320 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11320 _Assembly.ID 1 _Assembly.Name 'sh3 domain-binding glutamic acid-rich-like protein 2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SH3BGRL2 1 $entity_1 A . yes native no no . . . 11320 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2ct6 . . . . . . 11320 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11320 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SH3BGRL2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGMVIRVFIASSSGF VAIKKKQQDVVRFLEANKIE FEEVDITMSEEQRQWMYKNV PPEKKPTQGNPLPPQIFNGD RYCGDYDSFFESKESNTVFS FLGLKSGPSSG ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2CT6 . "Solution Structure Of The Sh3 Domain-Binding Glutamic Acid- Rich-Like Protein 2" . . . . . 100.00 111 100.00 100.00 1.37e-73 . . . . 11320 1 2 no DBJ BAG34700 . "unnamed protein product [Homo sapiens]" . . . . . 88.29 107 100.00 100.00 1.08e-64 . . . . 11320 1 3 no EMBL CAC35771 . "SH3BGRL2-like protein [Homo sapiens]" . . . . . 88.29 107 100.00 100.00 1.08e-64 . . . . 11320 1 4 no EMBL CAH89748 . "hypothetical protein [Pongo abelii]" . . . . . 88.29 107 98.98 98.98 2.20e-63 . . . . 11320 1 5 no GB AAH40489 . "SH3 domain binding glutamic acid-rich protein like 2 [Homo sapiens]" . . . . . 88.29 107 98.98 98.98 5.34e-64 . . . . 11320 1 6 no GB AAH52987 . "SH3 domain binding glutamic acid-rich protein like 2 [Homo sapiens]" . . . . . 88.29 107 100.00 100.00 1.08e-64 . . . . 11320 1 7 no GB AAH60799 . "SH3 domain binding glutamic acid-rich protein like 2 [Homo sapiens]" . . . . . 88.29 107 100.00 100.00 1.08e-64 . . . . 11320 1 8 no GB AAH70059 . "SH3 domain binding glutamic acid-rich protein like 2 [Homo sapiens]" . . . . . 88.29 107 98.98 100.00 2.00e-64 . . . . 11320 1 9 no GB AAI09044 . "SH3 domain binding glutamic acid-rich protein like 2 [Homo sapiens]" . . . . . 88.29 107 100.00 100.00 1.08e-64 . . . . 11320 1 10 no REF NP_113657 . "SH3 domain-binding glutamic acid-rich-like protein 2 [Homo sapiens]" . . . . . 88.29 107 100.00 100.00 1.08e-64 . . . . 11320 1 11 no REF XP_001146260 . "PREDICTED: SH3 domain-binding glutamic acid-rich-like protein 2 [Pan troglodytes]" . . . . . 88.29 107 100.00 100.00 1.08e-64 . . . . 11320 1 12 no REF XP_003258313 . "PREDICTED: SH3 domain-binding glutamic acid-rich-like protein 2 isoform X2 [Nomascus leucogenys]" . . . . . 88.29 107 100.00 100.00 1.08e-64 . . . . 11320 1 13 no REF XP_003897882 . "PREDICTED: SH3 domain-binding glutamic acid-rich-like protein 2 isoform X2 [Papio anubis]" . . . . . 88.29 107 100.00 100.00 1.08e-64 . . . . 11320 1 14 no REF XP_003923315 . "PREDICTED: SH3 domain-binding glutamic acid-rich-like protein 2 [Saimiri boliviensis boliviensis]" . . . . . 88.29 107 98.98 98.98 5.58e-64 . . . . 11320 1 15 no SP Q5REQ9 . "RecName: Full=SH3 domain-binding glutamic acid-rich-like protein 2" . . . . . 88.29 107 98.98 98.98 2.20e-63 . . . . 11320 1 16 no SP Q9UJC5 . "RecName: Full=SH3 domain-binding glutamic acid-rich-like protein 2; AltName: Full=Fovea-associated SH3 domain-binding protein" . . . . . 88.29 107 100.00 100.00 1.08e-64 . . . . 11320 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID SH3BGRL2 . 11320 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 . GLY . 11320 1 2 . SER . 11320 1 3 . SER . 11320 1 4 . GLY . 11320 1 5 . SER . 11320 1 6 . SER . 11320 1 7 . GLY . 11320 1 8 . MET . 11320 1 9 . VAL . 11320 1 10 . ILE . 11320 1 11 . ARG . 11320 1 12 . VAL . 11320 1 13 . PHE . 11320 1 14 . ILE . 11320 1 15 . ALA . 11320 1 16 . SER . 11320 1 17 . SER . 11320 1 18 . SER . 11320 1 19 . GLY . 11320 1 20 . PHE . 11320 1 21 . VAL . 11320 1 22 . ALA . 11320 1 23 . ILE . 11320 1 24 . LYS . 11320 1 25 . LYS . 11320 1 26 . LYS . 11320 1 27 . GLN . 11320 1 28 . GLN . 11320 1 29 . ASP . 11320 1 30 . VAL . 11320 1 31 . VAL . 11320 1 32 . ARG . 11320 1 33 . PHE . 11320 1 34 . LEU . 11320 1 35 . GLU . 11320 1 36 . ALA . 11320 1 37 . ASN . 11320 1 38 . LYS . 11320 1 39 . ILE . 11320 1 40 . GLU . 11320 1 41 . PHE . 11320 1 42 . GLU . 11320 1 43 . GLU . 11320 1 44 . VAL . 11320 1 45 . ASP . 11320 1 46 . ILE . 11320 1 47 . THR . 11320 1 48 . MET . 11320 1 49 . SER . 11320 1 50 . GLU . 11320 1 51 . GLU . 11320 1 52 . GLN . 11320 1 53 . ARG . 11320 1 54 . GLN . 11320 1 55 . TRP . 11320 1 56 . MET . 11320 1 57 . TYR . 11320 1 58 . LYS . 11320 1 59 . ASN . 11320 1 60 . VAL . 11320 1 61 . PRO . 11320 1 62 . PRO . 11320 1 63 . GLU . 11320 1 64 . LYS . 11320 1 65 . LYS . 11320 1 66 . PRO . 11320 1 67 . THR . 11320 1 68 . GLN . 11320 1 69 . GLY . 11320 1 70 . ASN . 11320 1 71 . PRO . 11320 1 72 . LEU . 11320 1 73 . PRO . 11320 1 74 . PRO . 11320 1 75 . GLN . 11320 1 76 . ILE . 11320 1 77 . PHE . 11320 1 78 . ASN . 11320 1 79 . GLY . 11320 1 80 . ASP . 11320 1 81 . ARG . 11320 1 82 . TYR . 11320 1 83 . CYS . 11320 1 84 . GLY . 11320 1 85 . ASP . 11320 1 86 . TYR . 11320 1 87 . ASP . 11320 1 88 . SER . 11320 1 89 . PHE . 11320 1 90 . PHE . 11320 1 91 . GLU . 11320 1 92 . SER . 11320 1 93 . LYS . 11320 1 94 . GLU . 11320 1 95 . SER . 11320 1 96 . ASN . 11320 1 97 . THR . 11320 1 98 . VAL . 11320 1 99 . PHE . 11320 1 100 . SER . 11320 1 101 . PHE . 11320 1 102 . LEU . 11320 1 103 . GLY . 11320 1 104 . LEU . 11320 1 105 . LYS . 11320 1 106 . SER . 11320 1 107 . GLY . 11320 1 108 . PRO . 11320 1 109 . SER . 11320 1 110 . SER . 11320 1 111 . GLY . 11320 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11320 1 . SER 2 2 11320 1 . SER 3 3 11320 1 . GLY 4 4 11320 1 . SER 5 5 11320 1 . SER 6 6 11320 1 . GLY 7 7 11320 1 . MET 8 8 11320 1 . VAL 9 9 11320 1 . ILE 10 10 11320 1 . ARG 11 11 11320 1 . VAL 12 12 11320 1 . PHE 13 13 11320 1 . ILE 14 14 11320 1 . ALA 15 15 11320 1 . SER 16 16 11320 1 . SER 17 17 11320 1 . SER 18 18 11320 1 . GLY 19 19 11320 1 . PHE 20 20 11320 1 . VAL 21 21 11320 1 . ALA 22 22 11320 1 . ILE 23 23 11320 1 . LYS 24 24 11320 1 . LYS 25 25 11320 1 . LYS 26 26 11320 1 . GLN 27 27 11320 1 . GLN 28 28 11320 1 . ASP 29 29 11320 1 . VAL 30 30 11320 1 . VAL 31 31 11320 1 . ARG 32 32 11320 1 . PHE 33 33 11320 1 . LEU 34 34 11320 1 . GLU 35 35 11320 1 . ALA 36 36 11320 1 . ASN 37 37 11320 1 . LYS 38 38 11320 1 . ILE 39 39 11320 1 . GLU 40 40 11320 1 . PHE 41 41 11320 1 . GLU 42 42 11320 1 . GLU 43 43 11320 1 . VAL 44 44 11320 1 . ASP 45 45 11320 1 . ILE 46 46 11320 1 . THR 47 47 11320 1 . MET 48 48 11320 1 . SER 49 49 11320 1 . GLU 50 50 11320 1 . GLU 51 51 11320 1 . GLN 52 52 11320 1 . ARG 53 53 11320 1 . GLN 54 54 11320 1 . TRP 55 55 11320 1 . MET 56 56 11320 1 . TYR 57 57 11320 1 . LYS 58 58 11320 1 . ASN 59 59 11320 1 . VAL 60 60 11320 1 . PRO 61 61 11320 1 . PRO 62 62 11320 1 . GLU 63 63 11320 1 . LYS 64 64 11320 1 . LYS 65 65 11320 1 . PRO 66 66 11320 1 . THR 67 67 11320 1 . GLN 68 68 11320 1 . GLY 69 69 11320 1 . ASN 70 70 11320 1 . PRO 71 71 11320 1 . LEU 72 72 11320 1 . PRO 73 73 11320 1 . PRO 74 74 11320 1 . GLN 75 75 11320 1 . ILE 76 76 11320 1 . PHE 77 77 11320 1 . ASN 78 78 11320 1 . GLY 79 79 11320 1 . ASP 80 80 11320 1 . ARG 81 81 11320 1 . TYR 82 82 11320 1 . CYS 83 83 11320 1 . GLY 84 84 11320 1 . ASP 85 85 11320 1 . TYR 86 86 11320 1 . ASP 87 87 11320 1 . SER 88 88 11320 1 . PHE 89 89 11320 1 . PHE 90 90 11320 1 . GLU 91 91 11320 1 . SER 92 92 11320 1 . LYS 93 93 11320 1 . GLU 94 94 11320 1 . SER 95 95 11320 1 . ASN 96 96 11320 1 . THR 97 97 11320 1 . VAL 98 98 11320 1 . PHE 99 99 11320 1 . SER 100 100 11320 1 . PHE 101 101 11320 1 . LEU 102 102 11320 1 . GLY 103 103 11320 1 . LEU 104 104 11320 1 . LYS 105 105 11320 1 . SER 106 106 11320 1 . GLY 107 107 11320 1 . PRO 108 108 11320 1 . SER 109 109 11320 1 . SER 110 110 11320 1 . GLY 111 111 11320 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 11320 _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_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11320 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 11320 _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_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P040614-04 . . . . . . 11320 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11320 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.95mM SH3BGRL2 {U-13C,15N;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _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 SH3BGRL2 '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.95 . . mM . . . . 11320 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11320 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11320 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11320 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11320 1 6 H2O . . . . . . solvent 90 . . % . . . . 11320 1 7 D2O . . . . . . solvent 10 . . % . . . . 11320 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11320 _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' 120 0.1 mM 11320 1 pH 7.0 0.05 pH 11320 1 pressure 1 0.001 atm 11320 1 temperature 296 0.1 K 11320 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11320 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11320 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11320 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11320 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11320 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11320 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11320 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 11320 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11320 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11320 _Software.ID 4 _Software.Name Kujira _Software.Version 0.925 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11320 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11320 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11320 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11320 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11320 5 'structure solution' 11320 5 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 11320 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11320 _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 . 900 . . . 11320 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 11320 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11320 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11320 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11320 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11320 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11320 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11320 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11320 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11320 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11320 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11320 1 2 $NMRPipe . . 11320 1 3 $NMRView . . 11320 1 4 $Kujira . . 11320 1 5 $CYANA . . 11320 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 6 6 SER HA H 1 4.452 0.030 . 1 . . . . 6 SER HA . 11320 1 2 . 1 1 6 6 SER HB2 H 1 3.908 0.030 . 2 . . . . 6 SER HB2 . 11320 1 3 . 1 1 6 6 SER HB3 H 1 3.850 0.030 . 2 . . . . 6 SER HB3 . 11320 1 4 . 1 1 6 6 SER C C 13 175.037 0.300 . 1 . . . . 6 SER C . 11320 1 5 . 1 1 6 6 SER CA C 13 58.855 0.300 . 1 . . . . 6 SER CA . 11320 1 6 . 1 1 6 6 SER CB C 13 63.933 0.300 . 1 . . . . 6 SER CB . 11320 1 7 . 1 1 7 7 GLY H H 1 8.403 0.030 . 1 . . . . 7 GLY H . 11320 1 8 . 1 1 7 7 GLY HA2 H 1 3.962 0.030 . 1 . . . . 7 GLY HA2 . 11320 1 9 . 1 1 7 7 GLY HA3 H 1 3.962 0.030 . 1 . . . . 7 GLY HA3 . 11320 1 10 . 1 1 7 7 GLY C C 13 173.883 0.300 . 1 . . . . 7 GLY C . 11320 1 11 . 1 1 7 7 GLY CA C 13 45.360 0.300 . 1 . . . . 7 GLY CA . 11320 1 12 . 1 1 7 7 GLY N N 15 110.753 0.300 . 1 . . . . 7 GLY N . 11320 1 13 . 1 1 8 8 MET H H 1 8.172 0.030 . 1 . . . . 8 MET H . 11320 1 14 . 1 1 8 8 MET HA H 1 4.529 0.030 . 1 . . . . 8 MET HA . 11320 1 15 . 1 1 8 8 MET HB2 H 1 1.917 0.030 . 2 . . . . 8 MET HB2 . 11320 1 16 . 1 1 8 8 MET HB3 H 1 2.006 0.030 . 2 . . . . 8 MET HB3 . 11320 1 17 . 1 1 8 8 MET HE1 H 1 2.157 0.030 . 1 . . . . 8 MET HE . 11320 1 18 . 1 1 8 8 MET HE2 H 1 2.157 0.030 . 1 . . . . 8 MET HE . 11320 1 19 . 1 1 8 8 MET HE3 H 1 2.157 0.030 . 1 . . . . 8 MET HE . 11320 1 20 . 1 1 8 8 MET HG2 H 1 2.614 0.030 . 2 . . . . 8 MET HG2 . 11320 1 21 . 1 1 8 8 MET HG3 H 1 2.500 0.030 . 2 . . . . 8 MET HG3 . 11320 1 22 . 1 1 8 8 MET C C 13 175.350 0.300 . 1 . . . . 8 MET C . 11320 1 23 . 1 1 8 8 MET CA C 13 55.753 0.300 . 1 . . . . 8 MET CA . 11320 1 24 . 1 1 8 8 MET CB C 13 33.556 0.300 . 1 . . . . 8 MET CB . 11320 1 25 . 1 1 8 8 MET CE C 13 17.697 0.300 . 1 . . . . 8 MET CE . 11320 1 26 . 1 1 8 8 MET CG C 13 32.437 0.300 . 1 . . . . 8 MET CG . 11320 1 27 . 1 1 8 8 MET N N 15 120.173 0.300 . 1 . . . . 8 MET N . 11320 1 28 . 1 1 9 9 VAL H H 1 8.256 0.030 . 1 . . . . 9 VAL H . 11320 1 29 . 1 1 9 9 VAL HA H 1 4.071 0.030 . 1 . . . . 9 VAL HA . 11320 1 30 . 1 1 9 9 VAL HB H 1 1.878 0.030 . 1 . . . . 9 VAL HB . 11320 1 31 . 1 1 9 9 VAL HG11 H 1 0.744 0.030 . 1 . . . . 9 VAL HG1 . 11320 1 32 . 1 1 9 9 VAL HG12 H 1 0.744 0.030 . 1 . . . . 9 VAL HG1 . 11320 1 33 . 1 1 9 9 VAL HG13 H 1 0.744 0.030 . 1 . . . . 9 VAL HG1 . 11320 1 34 . 1 1 9 9 VAL HG21 H 1 0.726 0.030 . 1 . . . . 9 VAL HG2 . 11320 1 35 . 1 1 9 9 VAL HG22 H 1 0.726 0.030 . 1 . . . . 9 VAL HG2 . 11320 1 36 . 1 1 9 9 VAL HG23 H 1 0.726 0.030 . 1 . . . . 9 VAL HG2 . 11320 1 37 . 1 1 9 9 VAL C C 13 174.808 0.300 . 1 . . . . 9 VAL C . 11320 1 38 . 1 1 9 9 VAL CA C 13 61.611 0.300 . 1 . . . . 9 VAL CA . 11320 1 39 . 1 1 9 9 VAL CB C 13 34.510 0.300 . 1 . . . . 9 VAL CB . 11320 1 40 . 1 1 9 9 VAL CG1 C 13 20.881 0.300 . 2 . . . . 9 VAL CG1 . 11320 1 41 . 1 1 9 9 VAL CG2 C 13 20.674 0.300 . 2 . . . . 9 VAL CG2 . 11320 1 42 . 1 1 9 9 VAL N N 15 122.547 0.300 . 1 . . . . 9 VAL N . 11320 1 43 . 1 1 10 10 ILE H H 1 8.148 0.030 . 1 . . . . 10 ILE H . 11320 1 44 . 1 1 10 10 ILE HA H 1 4.756 0.030 . 1 . . . . 10 ILE HA . 11320 1 45 . 1 1 10 10 ILE HB H 1 2.271 0.030 . 1 . . . . 10 ILE HB . 11320 1 46 . 1 1 10 10 ILE HD11 H 1 0.822 0.030 . 1 . . . . 10 ILE HD1 . 11320 1 47 . 1 1 10 10 ILE HD12 H 1 0.822 0.030 . 1 . . . . 10 ILE HD1 . 11320 1 48 . 1 1 10 10 ILE HD13 H 1 0.822 0.030 . 1 . . . . 10 ILE HD1 . 11320 1 49 . 1 1 10 10 ILE HG12 H 1 1.279 0.030 . 2 . . . . 10 ILE HG12 . 11320 1 50 . 1 1 10 10 ILE HG13 H 1 1.947 0.030 . 2 . . . . 10 ILE HG13 . 11320 1 51 . 1 1 10 10 ILE HG21 H 1 0.891 0.030 . 1 . . . . 10 ILE HG2 . 11320 1 52 . 1 1 10 10 ILE HG22 H 1 0.891 0.030 . 1 . . . . 10 ILE HG2 . 11320 1 53 . 1 1 10 10 ILE HG23 H 1 0.891 0.030 . 1 . . . . 10 ILE HG2 . 11320 1 54 . 1 1 10 10 ILE C C 13 175.010 0.300 . 1 . . . . 10 ILE C . 11320 1 55 . 1 1 10 10 ILE CA C 13 58.182 0.300 . 1 . . . . 10 ILE CA . 11320 1 56 . 1 1 10 10 ILE CB C 13 35.507 0.300 . 1 . . . . 10 ILE CB . 11320 1 57 . 1 1 10 10 ILE CD1 C 13 10.165 0.300 . 1 . . . . 10 ILE CD1 . 11320 1 58 . 1 1 10 10 ILE CG1 C 13 27.740 0.300 . 1 . . . . 10 ILE CG1 . 11320 1 59 . 1 1 10 10 ILE CG2 C 13 18.520 0.300 . 1 . . . . 10 ILE CG2 . 11320 1 60 . 1 1 10 10 ILE N N 15 126.674 0.300 . 1 . . . . 10 ILE N . 11320 1 61 . 1 1 11 11 ARG H H 1 9.557 0.030 . 1 . . . . 11 ARG H . 11320 1 62 . 1 1 11 11 ARG HA H 1 5.229 0.030 . 1 . . . . 11 ARG HA . 11320 1 63 . 1 1 11 11 ARG HB2 H 1 1.467 0.030 . 2 . . . . 11 ARG HB2 . 11320 1 64 . 1 1 11 11 ARG HB3 H 1 1.979 0.030 . 2 . . . . 11 ARG HB3 . 11320 1 65 . 1 1 11 11 ARG HD2 H 1 3.087 0.030 . 2 . . . . 11 ARG HD2 . 11320 1 66 . 1 1 11 11 ARG HD3 H 1 2.998 0.030 . 2 . . . . 11 ARG HD3 . 11320 1 67 . 1 1 11 11 ARG HE H 1 6.862 0.030 . 1 . . . . 11 ARG HE . 11320 1 68 . 1 1 11 11 ARG HG2 H 1 1.381 0.030 . 2 . . . . 11 ARG HG2 . 11320 1 69 . 1 1 11 11 ARG HG3 H 1 1.752 0.030 . 2 . . . . 11 ARG HG3 . 11320 1 70 . 1 1 11 11 ARG C C 13 174.801 0.300 . 1 . . . . 11 ARG C . 11320 1 71 . 1 1 11 11 ARG CA C 13 55.297 0.300 . 1 . . . . 11 ARG CA . 11320 1 72 . 1 1 11 11 ARG CB C 13 32.780 0.300 . 1 . . . . 11 ARG CB . 11320 1 73 . 1 1 11 11 ARG CD C 13 44.115 0.300 . 1 . . . . 11 ARG CD . 11320 1 74 . 1 1 11 11 ARG CG C 13 27.871 0.300 . 1 . . . . 11 ARG CG . 11320 1 75 . 1 1 11 11 ARG N N 15 128.107 0.300 . 1 . . . . 11 ARG N . 11320 1 76 . 1 1 11 11 ARG NE N 15 84.196 0.300 . 1 . . . . 11 ARG NE . 11320 1 77 . 1 1 12 12 VAL H H 1 8.977 0.030 . 1 . . . . 12 VAL H . 11320 1 78 . 1 1 12 12 VAL HA H 1 4.729 0.030 . 1 . . . . 12 VAL HA . 11320 1 79 . 1 1 12 12 VAL HB H 1 2.032 0.030 . 1 . . . . 12 VAL HB . 11320 1 80 . 1 1 12 12 VAL HG11 H 1 0.770 0.030 . 1 . . . . 12 VAL HG1 . 11320 1 81 . 1 1 12 12 VAL HG12 H 1 0.770 0.030 . 1 . . . . 12 VAL HG1 . 11320 1 82 . 1 1 12 12 VAL HG13 H 1 0.770 0.030 . 1 . . . . 12 VAL HG1 . 11320 1 83 . 1 1 12 12 VAL HG21 H 1 0.748 0.030 . 1 . . . . 12 VAL HG2 . 11320 1 84 . 1 1 12 12 VAL HG22 H 1 0.748 0.030 . 1 . . . . 12 VAL HG2 . 11320 1 85 . 1 1 12 12 VAL HG23 H 1 0.748 0.030 . 1 . . . . 12 VAL HG2 . 11320 1 86 . 1 1 12 12 VAL C C 13 174.732 0.300 . 1 . . . . 12 VAL C . 11320 1 87 . 1 1 12 12 VAL CA C 13 60.924 0.300 . 1 . . . . 12 VAL CA . 11320 1 88 . 1 1 12 12 VAL CB C 13 32.742 0.300 . 1 . . . . 12 VAL CB . 11320 1 89 . 1 1 12 12 VAL CG1 C 13 21.425 0.300 . 2 . . . . 12 VAL CG1 . 11320 1 90 . 1 1 12 12 VAL CG2 C 13 21.840 0.300 . 2 . . . . 12 VAL CG2 . 11320 1 91 . 1 1 12 12 VAL N N 15 124.086 0.300 . 1 . . . . 12 VAL N . 11320 1 92 . 1 1 13 13 PHE H H 1 9.761 0.030 . 1 . . . . 13 PHE H . 11320 1 93 . 1 1 13 13 PHE HA H 1 5.278 0.030 . 1 . . . . 13 PHE HA . 11320 1 94 . 1 1 13 13 PHE HB2 H 1 3.537 0.030 . 2 . . . . 13 PHE HB2 . 11320 1 95 . 1 1 13 13 PHE HB3 H 1 2.985 0.030 . 2 . . . . 13 PHE HB3 . 11320 1 96 . 1 1 13 13 PHE HD1 H 1 7.362 0.030 . 1 . . . . 13 PHE HD1 . 11320 1 97 . 1 1 13 13 PHE HD2 H 1 7.362 0.030 . 1 . . . . 13 PHE HD2 . 11320 1 98 . 1 1 13 13 PHE HE1 H 1 7.133 0.030 . 1 . . . . 13 PHE HE1 . 11320 1 99 . 1 1 13 13 PHE HE2 H 1 7.133 0.030 . 1 . . . . 13 PHE HE2 . 11320 1 100 . 1 1 13 13 PHE HZ H 1 6.732 0.030 . 1 . . . . 13 PHE HZ . 11320 1 101 . 1 1 13 13 PHE C C 13 175.539 0.300 . 1 . . . . 13 PHE C . 11320 1 102 . 1 1 13 13 PHE CA C 13 58.094 0.300 . 1 . . . . 13 PHE CA . 11320 1 103 . 1 1 13 13 PHE CB C 13 39.817 0.300 . 1 . . . . 13 PHE CB . 11320 1 104 . 1 1 13 13 PHE CD1 C 13 131.296 0.300 . 1 . . . . 13 PHE CD1 . 11320 1 105 . 1 1 13 13 PHE CD2 C 13 131.296 0.300 . 1 . . . . 13 PHE CD2 . 11320 1 106 . 1 1 13 13 PHE CE1 C 13 131.439 0.300 . 1 . . . . 13 PHE CE1 . 11320 1 107 . 1 1 13 13 PHE CE2 C 13 131.439 0.300 . 1 . . . . 13 PHE CE2 . 11320 1 108 . 1 1 13 13 PHE CZ C 13 131.228 0.300 . 1 . . . . 13 PHE CZ . 11320 1 109 . 1 1 13 13 PHE N N 15 130.396 0.300 . 1 . . . . 13 PHE N . 11320 1 110 . 1 1 14 14 ILE H H 1 8.987 0.030 . 1 . . . . 14 ILE H . 11320 1 111 . 1 1 14 14 ILE HA H 1 4.844 0.030 . 1 . . . . 14 ILE HA . 11320 1 112 . 1 1 14 14 ILE HB H 1 1.607 0.030 . 1 . . . . 14 ILE HB . 11320 1 113 . 1 1 14 14 ILE HD11 H 1 0.726 0.030 . 1 . . . . 14 ILE HD1 . 11320 1 114 . 1 1 14 14 ILE HD12 H 1 0.726 0.030 . 1 . . . . 14 ILE HD1 . 11320 1 115 . 1 1 14 14 ILE HD13 H 1 0.726 0.030 . 1 . . . . 14 ILE HD1 . 11320 1 116 . 1 1 14 14 ILE HG12 H 1 0.829 0.030 . 2 . . . . 14 ILE HG12 . 11320 1 117 . 1 1 14 14 ILE HG13 H 1 1.172 0.030 . 2 . . . . 14 ILE HG13 . 11320 1 118 . 1 1 14 14 ILE HG21 H 1 0.832 0.030 . 1 . . . . 14 ILE HG2 . 11320 1 119 . 1 1 14 14 ILE HG22 H 1 0.832 0.030 . 1 . . . . 14 ILE HG2 . 11320 1 120 . 1 1 14 14 ILE HG23 H 1 0.832 0.030 . 1 . . . . 14 ILE HG2 . 11320 1 121 . 1 1 14 14 ILE C C 13 173.677 0.300 . 1 . . . . 14 ILE C . 11320 1 122 . 1 1 14 14 ILE CA C 13 58.986 0.300 . 1 . . . . 14 ILE CA . 11320 1 123 . 1 1 14 14 ILE CB C 13 43.505 0.300 . 1 . . . . 14 ILE CB . 11320 1 124 . 1 1 14 14 ILE CD1 C 13 14.993 0.300 . 1 . . . . 14 ILE CD1 . 11320 1 125 . 1 1 14 14 ILE CG1 C 13 25.758 0.300 . 1 . . . . 14 ILE CG1 . 11320 1 126 . 1 1 14 14 ILE CG2 C 13 19.634 0.300 . 1 . . . . 14 ILE CG2 . 11320 1 127 . 1 1 14 14 ILE N N 15 116.561 0.300 . 1 . . . . 14 ILE N . 11320 1 128 . 1 1 15 15 ALA H H 1 9.435 0.030 . 1 . . . . 15 ALA H . 11320 1 129 . 1 1 15 15 ALA HA H 1 5.046 0.030 . 1 . . . . 15 ALA HA . 11320 1 130 . 1 1 15 15 ALA HB1 H 1 1.222 0.030 . 1 . . . . 15 ALA HB . 11320 1 131 . 1 1 15 15 ALA HB2 H 1 1.222 0.030 . 1 . . . . 15 ALA HB . 11320 1 132 . 1 1 15 15 ALA HB3 H 1 1.222 0.030 . 1 . . . . 15 ALA HB . 11320 1 133 . 1 1 15 15 ALA C C 13 177.911 0.300 . 1 . . . . 15 ALA C . 11320 1 134 . 1 1 15 15 ALA CA C 13 51.024 0.300 . 1 . . . . 15 ALA CA . 11320 1 135 . 1 1 15 15 ALA CB C 13 22.064 0.300 . 1 . . . . 15 ALA CB . 11320 1 136 . 1 1 15 15 ALA N N 15 120.857 0.300 . 1 . . . . 15 ALA N . 11320 1 137 . 1 1 16 16 SER H H 1 8.467 0.030 . 1 . . . . 16 SER H . 11320 1 138 . 1 1 16 16 SER HA H 1 4.319 0.030 . 1 . . . . 16 SER HA . 11320 1 139 . 1 1 16 16 SER HB2 H 1 3.877 0.030 . 2 . . . . 16 SER HB2 . 11320 1 140 . 1 1 16 16 SER HB3 H 1 3.665 0.030 . 2 . . . . 16 SER HB3 . 11320 1 141 . 1 1 16 16 SER C C 13 175.856 0.300 . 1 . . . . 16 SER C . 11320 1 142 . 1 1 16 16 SER CA C 13 59.272 0.300 . 1 . . . . 16 SER CA . 11320 1 143 . 1 1 16 16 SER CB C 13 62.753 0.300 . 1 . . . . 16 SER CB . 11320 1 144 . 1 1 16 16 SER N N 15 119.981 0.300 . 1 . . . . 16 SER N . 11320 1 145 . 1 1 17 17 SER H H 1 7.657 0.030 . 1 . . . . 17 SER H . 11320 1 146 . 1 1 17 17 SER HA H 1 4.545 0.030 . 1 . . . . 17 SER HA . 11320 1 147 . 1 1 17 17 SER HB2 H 1 3.898 0.030 . 1 . . . . 17 SER HB2 . 11320 1 148 . 1 1 17 17 SER HB3 H 1 3.898 0.030 . 1 . . . . 17 SER HB3 . 11320 1 149 . 1 1 17 17 SER C C 13 174.723 0.300 . 1 . . . . 17 SER C . 11320 1 150 . 1 1 17 17 SER CA C 13 57.627 0.300 . 1 . . . . 17 SER CA . 11320 1 151 . 1 1 17 17 SER CB C 13 63.511 0.300 . 1 . . . . 17 SER CB . 11320 1 152 . 1 1 17 17 SER N N 15 115.128 0.300 . 1 . . . . 17 SER N . 11320 1 153 . 1 1 18 18 SER H H 1 7.288 0.030 . 1 . . . . 18 SER H . 11320 1 154 . 1 1 18 18 SER HA H 1 4.233 0.030 . 1 . . . . 18 SER HA . 11320 1 155 . 1 1 18 18 SER HB2 H 1 4.003 0.030 . 2 . . . . 18 SER HB2 . 11320 1 156 . 1 1 18 18 SER HB3 H 1 3.773 0.030 . 2 . . . . 18 SER HB3 . 11320 1 157 . 1 1 18 18 SER CA C 13 59.903 0.300 . 1 . . . . 18 SER CA . 11320 1 158 . 1 1 18 18 SER CB C 13 63.864 0.300 . 1 . . . . 18 SER CB . 11320 1 159 . 1 1 18 18 SER N N 15 124.917 0.300 . 1 . . . . 18 SER N . 11320 1 160 . 1 1 19 19 GLY HA2 H 1 3.904 0.030 . 2 . . . . 19 GLY HA2 . 11320 1 161 . 1 1 19 19 GLY HA3 H 1 3.717 0.030 . 2 . . . . 19 GLY HA3 . 11320 1 162 . 1 1 19 19 GLY C C 13 174.075 0.300 . 1 . . . . 19 GLY C . 11320 1 163 . 1 1 19 19 GLY CA C 13 45.327 0.300 . 1 . . . . 19 GLY CA . 11320 1 164 . 1 1 20 20 PHE H H 1 7.947 0.030 . 1 . . . . 20 PHE H . 11320 1 165 . 1 1 20 20 PHE HA H 1 4.818 0.030 . 1 . . . . 20 PHE HA . 11320 1 166 . 1 1 20 20 PHE HB2 H 1 2.894 0.030 . 2 . . . . 20 PHE HB2 . 11320 1 167 . 1 1 20 20 PHE HB3 H 1 3.284 0.030 . 2 . . . . 20 PHE HB3 . 11320 1 168 . 1 1 20 20 PHE HD1 H 1 7.281 0.030 . 1 . . . . 20 PHE HD1 . 11320 1 169 . 1 1 20 20 PHE HD2 H 1 7.281 0.030 . 1 . . . . 20 PHE HD2 . 11320 1 170 . 1 1 20 20 PHE HE1 H 1 7.414 0.030 . 1 . . . . 20 PHE HE1 . 11320 1 171 . 1 1 20 20 PHE HE2 H 1 7.414 0.030 . 1 . . . . 20 PHE HE2 . 11320 1 172 . 1 1 20 20 PHE HZ H 1 7.345 0.030 . 1 . . . . 20 PHE HZ . 11320 1 173 . 1 1 20 20 PHE C C 13 176.209 0.300 . 1 . . . . 20 PHE C . 11320 1 174 . 1 1 20 20 PHE CA C 13 56.905 0.300 . 1 . . . . 20 PHE CA . 11320 1 175 . 1 1 20 20 PHE CB C 13 39.009 0.300 . 1 . . . . 20 PHE CB . 11320 1 176 . 1 1 20 20 PHE CD1 C 13 131.789 0.300 . 1 . . . . 20 PHE CD1 . 11320 1 177 . 1 1 20 20 PHE CD2 C 13 131.789 0.300 . 1 . . . . 20 PHE CD2 . 11320 1 178 . 1 1 20 20 PHE CE1 C 13 131.590 0.300 . 1 . . . . 20 PHE CE1 . 11320 1 179 . 1 1 20 20 PHE CE2 C 13 131.590 0.300 . 1 . . . . 20 PHE CE2 . 11320 1 180 . 1 1 20 20 PHE CZ C 13 130.049 0.300 . 1 . . . . 20 PHE CZ . 11320 1 181 . 1 1 20 20 PHE N N 15 119.643 0.300 . 1 . . . . 20 PHE N . 11320 1 182 . 1 1 21 21 VAL H H 1 8.376 0.030 . 1 . . . . 21 VAL H . 11320 1 183 . 1 1 21 21 VAL HA H 1 3.742 0.030 . 1 . . . . 21 VAL HA . 11320 1 184 . 1 1 21 21 VAL HB H 1 2.143 0.030 . 1 . . . . 21 VAL HB . 11320 1 185 . 1 1 21 21 VAL HG11 H 1 1.005 0.030 . 1 . . . . 21 VAL HG1 . 11320 1 186 . 1 1 21 21 VAL HG12 H 1 1.005 0.030 . 1 . . . . 21 VAL HG1 . 11320 1 187 . 1 1 21 21 VAL HG13 H 1 1.005 0.030 . 1 . . . . 21 VAL HG1 . 11320 1 188 . 1 1 21 21 VAL HG21 H 1 1.070 0.030 . 1 . . . . 21 VAL HG2 . 11320 1 189 . 1 1 21 21 VAL HG22 H 1 1.070 0.030 . 1 . . . . 21 VAL HG2 . 11320 1 190 . 1 1 21 21 VAL HG23 H 1 1.070 0.030 . 1 . . . . 21 VAL HG2 . 11320 1 191 . 1 1 21 21 VAL C C 13 177.469 0.300 . 1 . . . . 21 VAL C . 11320 1 192 . 1 1 21 21 VAL CA C 13 65.942 0.300 . 1 . . . . 21 VAL CA . 11320 1 193 . 1 1 21 21 VAL CB C 13 31.792 0.300 . 1 . . . . 21 VAL CB . 11320 1 194 . 1 1 21 21 VAL CG1 C 13 20.804 0.300 . 2 . . . . 21 VAL CG1 . 11320 1 195 . 1 1 21 21 VAL CG2 C 13 21.568 0.300 . 2 . . . . 21 VAL CG2 . 11320 1 196 . 1 1 21 21 VAL N N 15 124.504 0.300 . 1 . . . . 21 VAL N . 11320 1 197 . 1 1 22 22 ALA H H 1 8.726 0.030 . 1 . . . . 22 ALA H . 11320 1 198 . 1 1 22 22 ALA HA H 1 4.130 0.030 . 1 . . . . 22 ALA HA . 11320 1 199 . 1 1 22 22 ALA HB1 H 1 1.396 0.030 . 1 . . . . 22 ALA HB . 11320 1 200 . 1 1 22 22 ALA HB2 H 1 1.396 0.030 . 1 . . . . 22 ALA HB . 11320 1 201 . 1 1 22 22 ALA HB3 H 1 1.396 0.030 . 1 . . . . 22 ALA HB . 11320 1 202 . 1 1 22 22 ALA C C 13 180.183 0.300 . 1 . . . . 22 ALA C . 11320 1 203 . 1 1 22 22 ALA CA C 13 55.016 0.300 . 1 . . . . 22 ALA CA . 11320 1 204 . 1 1 22 22 ALA CB C 13 18.805 0.300 . 1 . . . . 22 ALA CB . 11320 1 205 . 1 1 22 22 ALA N N 15 121.352 0.300 . 1 . . . . 22 ALA N . 11320 1 206 . 1 1 23 23 ILE H H 1 7.158 0.030 . 1 . . . . 23 ILE H . 11320 1 207 . 1 1 23 23 ILE HA H 1 3.763 0.030 . 1 . . . . 23 ILE HA . 11320 1 208 . 1 1 23 23 ILE HB H 1 2.193 0.030 . 1 . . . . 23 ILE HB . 11320 1 209 . 1 1 23 23 ILE HD11 H 1 0.965 0.030 . 1 . . . . 23 ILE HD1 . 11320 1 210 . 1 1 23 23 ILE HD12 H 1 0.965 0.030 . 1 . . . . 23 ILE HD1 . 11320 1 211 . 1 1 23 23 ILE HD13 H 1 0.965 0.030 . 1 . . . . 23 ILE HD1 . 11320 1 212 . 1 1 23 23 ILE HG12 H 1 1.355 0.030 . 2 . . . . 23 ILE HG12 . 11320 1 213 . 1 1 23 23 ILE HG13 H 1 1.665 0.030 . 2 . . . . 23 ILE HG13 . 11320 1 214 . 1 1 23 23 ILE HG21 H 1 0.917 0.030 . 1 . . . . 23 ILE HG2 . 11320 1 215 . 1 1 23 23 ILE HG22 H 1 0.917 0.030 . 1 . . . . 23 ILE HG2 . 11320 1 216 . 1 1 23 23 ILE HG23 H 1 0.917 0.030 . 1 . . . . 23 ILE HG2 . 11320 1 217 . 1 1 23 23 ILE C C 13 177.600 0.300 . 1 . . . . 23 ILE C . 11320 1 218 . 1 1 23 23 ILE CA C 13 63.942 0.300 . 1 . . . . 23 ILE CA . 11320 1 219 . 1 1 23 23 ILE CB C 13 37.855 0.300 . 1 . . . . 23 ILE CB . 11320 1 220 . 1 1 23 23 ILE CD1 C 13 13.845 0.300 . 1 . . . . 23 ILE CD1 . 11320 1 221 . 1 1 23 23 ILE CG1 C 13 28.887 0.300 . 1 . . . . 23 ILE CG1 . 11320 1 222 . 1 1 23 23 ILE CG2 C 13 18.040 0.300 . 1 . . . . 23 ILE CG2 . 11320 1 223 . 1 1 23 23 ILE N N 15 115.030 0.300 . 1 . . . . 23 ILE N . 11320 1 224 . 1 1 24 24 LYS H H 1 7.656 0.030 . 1 . . . . 24 LYS H . 11320 1 225 . 1 1 24 24 LYS HA H 1 3.946 0.030 . 1 . . . . 24 LYS HA . 11320 1 226 . 1 1 24 24 LYS HB2 H 1 1.927 0.030 . 1 . . . . 24 LYS HB2 . 11320 1 227 . 1 1 24 24 LYS HB3 H 1 1.927 0.030 . 1 . . . . 24 LYS HB3 . 11320 1 228 . 1 1 24 24 LYS HD2 H 1 1.705 0.030 . 1 . . . . 24 LYS HD2 . 11320 1 229 . 1 1 24 24 LYS HD3 H 1 1.705 0.030 . 1 . . . . 24 LYS HD3 . 11320 1 230 . 1 1 24 24 LYS HE2 H 1 2.970 0.030 . 1 . . . . 24 LYS HE2 . 11320 1 231 . 1 1 24 24 LYS HE3 H 1 2.970 0.030 . 1 . . . . 24 LYS HE3 . 11320 1 232 . 1 1 24 24 LYS HG2 H 1 1.607 0.030 . 2 . . . . 24 LYS HG2 . 11320 1 233 . 1 1 24 24 LYS HG3 H 1 1.405 0.030 . 2 . . . . 24 LYS HG3 . 11320 1 234 . 1 1 24 24 LYS C C 13 178.986 0.300 . 1 . . . . 24 LYS C . 11320 1 235 . 1 1 24 24 LYS CA C 13 60.124 0.300 . 1 . . . . 24 LYS CA . 11320 1 236 . 1 1 24 24 LYS CB C 13 31.899 0.300 . 1 . . . . 24 LYS CB . 11320 1 237 . 1 1 24 24 LYS CD C 13 29.158 0.300 . 1 . . . . 24 LYS CD . 11320 1 238 . 1 1 24 24 LYS CE C 13 42.103 0.300 . 1 . . . . 24 LYS CE . 11320 1 239 . 1 1 24 24 LYS CG C 13 25.118 0.300 . 1 . . . . 24 LYS CG . 11320 1 240 . 1 1 24 24 LYS N N 15 120.201 0.300 . 1 . . . . 24 LYS N . 11320 1 241 . 1 1 25 25 LYS H H 1 8.091 0.030 . 1 . . . . 25 LYS H . 11320 1 242 . 1 1 25 25 LYS HA H 1 4.017 0.030 . 1 . . . . 25 LYS HA . 11320 1 243 . 1 1 25 25 LYS HB2 H 1 1.826 0.030 . 1 . . . . 25 LYS HB2 . 11320 1 244 . 1 1 25 25 LYS HB3 H 1 1.826 0.030 . 1 . . . . 25 LYS HB3 . 11320 1 245 . 1 1 25 25 LYS HD2 H 1 1.641 0.030 . 1 . . . . 25 LYS HD2 . 11320 1 246 . 1 1 25 25 LYS HD3 H 1 1.641 0.030 . 1 . . . . 25 LYS HD3 . 11320 1 247 . 1 1 25 25 LYS HE2 H 1 2.965 0.030 . 1 . . . . 25 LYS HE2 . 11320 1 248 . 1 1 25 25 LYS HE3 H 1 2.965 0.030 . 1 . . . . 25 LYS HE3 . 11320 1 249 . 1 1 25 25 LYS HG2 H 1 1.513 0.030 . 2 . . . . 25 LYS HG2 . 11320 1 250 . 1 1 25 25 LYS HG3 H 1 1.396 0.030 . 2 . . . . 25 LYS HG3 . 11320 1 251 . 1 1 25 25 LYS C C 13 178.820 0.300 . 1 . . . . 25 LYS C . 11320 1 252 . 1 1 25 25 LYS CA C 13 59.494 0.300 . 1 . . . . 25 LYS CA . 11320 1 253 . 1 1 25 25 LYS CB C 13 32.319 0.300 . 1 . . . . 25 LYS CB . 11320 1 254 . 1 1 25 25 LYS CD C 13 29.128 0.300 . 1 . . . . 25 LYS CD . 11320 1 255 . 1 1 25 25 LYS CE C 13 42.211 0.300 . 1 . . . . 25 LYS CE . 11320 1 256 . 1 1 25 25 LYS CG C 13 25.154 0.300 . 1 . . . . 25 LYS CG . 11320 1 257 . 1 1 25 25 LYS N N 15 118.386 0.300 . 1 . . . . 25 LYS N . 11320 1 258 . 1 1 26 26 LYS H H 1 7.438 0.030 . 1 . . . . 26 LYS H . 11320 1 259 . 1 1 26 26 LYS HA H 1 3.592 0.030 . 1 . . . . 26 LYS HA . 11320 1 260 . 1 1 26 26 LYS HB2 H 1 1.674 0.030 . 2 . . . . 26 LYS HB2 . 11320 1 261 . 1 1 26 26 LYS HB3 H 1 1.061 0.030 . 2 . . . . 26 LYS HB3 . 11320 1 262 . 1 1 26 26 LYS HD2 H 1 1.185 0.030 . 2 . . . . 26 LYS HD2 . 11320 1 263 . 1 1 26 26 LYS HD3 H 1 1.296 0.030 . 2 . . . . 26 LYS HD3 . 11320 1 264 . 1 1 26 26 LYS HE2 H 1 2.598 0.030 . 1 . . . . 26 LYS HE2 . 11320 1 265 . 1 1 26 26 LYS HE3 H 1 2.598 0.030 . 1 . . . . 26 LYS HE3 . 11320 1 266 . 1 1 26 26 LYS HG2 H 1 1.216 0.030 . 2 . . . . 26 LYS HG2 . 11320 1 267 . 1 1 26 26 LYS HG3 H 1 -0.309 0.030 . 2 . . . . 26 LYS HG3 . 11320 1 268 . 1 1 26 26 LYS C C 13 178.721 0.300 . 1 . . . . 26 LYS C . 11320 1 269 . 1 1 26 26 LYS CA C 13 59.886 0.300 . 1 . . . . 26 LYS CA . 11320 1 270 . 1 1 26 26 LYS CB C 13 33.616 0.300 . 1 . . . . 26 LYS CB . 11320 1 271 . 1 1 26 26 LYS CD C 13 30.199 0.300 . 1 . . . . 26 LYS CD . 11320 1 272 . 1 1 26 26 LYS CE C 13 42.142 0.300 . 1 . . . . 26 LYS CE . 11320 1 273 . 1 1 26 26 LYS CG C 13 25.726 0.300 . 1 . . . . 26 LYS CG . 11320 1 274 . 1 1 26 26 LYS N N 15 119.254 0.300 . 1 . . . . 26 LYS N . 11320 1 275 . 1 1 27 27 GLN H H 1 8.197 0.030 . 1 . . . . 27 GLN H . 11320 1 276 . 1 1 27 27 GLN HA H 1 3.638 0.030 . 1 . . . . 27 GLN HA . 11320 1 277 . 1 1 27 27 GLN HB2 H 1 2.087 0.030 . 2 . . . . 27 GLN HB2 . 11320 1 278 . 1 1 27 27 GLN HB3 H 1 2.314 0.030 . 2 . . . . 27 GLN HB3 . 11320 1 279 . 1 1 27 27 GLN HE21 H 1 6.888 0.030 . 2 . . . . 27 GLN HE21 . 11320 1 280 . 1 1 27 27 GLN HE22 H 1 7.497 0.030 . 2 . . . . 27 GLN HE22 . 11320 1 281 . 1 1 27 27 GLN HG2 H 1 2.192 0.030 . 2 . . . . 27 GLN HG2 . 11320 1 282 . 1 1 27 27 GLN HG3 H 1 2.818 0.030 . 2 . . . . 27 GLN HG3 . 11320 1 283 . 1 1 27 27 GLN C C 13 177.617 0.300 . 1 . . . . 27 GLN C . 11320 1 284 . 1 1 27 27 GLN CA C 13 59.859 0.300 . 1 . . . . 27 GLN CA . 11320 1 285 . 1 1 27 27 GLN CB C 13 27.440 0.300 . 1 . . . . 27 GLN CB . 11320 1 286 . 1 1 27 27 GLN CG C 13 36.488 0.300 . 1 . . . . 27 GLN CG . 11320 1 287 . 1 1 27 27 GLN N N 15 115.877 0.300 . 1 . . . . 27 GLN N . 11320 1 288 . 1 1 27 27 GLN NE2 N 15 106.957 0.300 . 1 . . . . 27 GLN NE2 . 11320 1 289 . 1 1 28 28 GLN H H 1 8.087 0.030 . 1 . . . . 28 GLN H . 11320 1 290 . 1 1 28 28 GLN HA H 1 4.039 0.030 . 1 . . . . 28 GLN HA . 11320 1 291 . 1 1 28 28 GLN HB2 H 1 2.089 0.030 . 2 . . . . 28 GLN HB2 . 11320 1 292 . 1 1 28 28 GLN HB3 H 1 2.261 0.030 . 2 . . . . 28 GLN HB3 . 11320 1 293 . 1 1 28 28 GLN HE21 H 1 7.591 0.030 . 2 . . . . 28 GLN HE21 . 11320 1 294 . 1 1 28 28 GLN HE22 H 1 6.958 0.030 . 2 . . . . 28 GLN HE22 . 11320 1 295 . 1 1 28 28 GLN HG2 H 1 2.417 0.030 . 2 . . . . 28 GLN HG2 . 11320 1 296 . 1 1 28 28 GLN HG3 H 1 2.583 0.030 . 2 . . . . 28 GLN HG3 . 11320 1 297 . 1 1 28 28 GLN C C 13 177.966 0.300 . 1 . . . . 28 GLN C . 11320 1 298 . 1 1 28 28 GLN CA C 13 58.693 0.300 . 1 . . . . 28 GLN CA . 11320 1 299 . 1 1 28 28 GLN CB C 13 28.709 0.300 . 1 . . . . 28 GLN CB . 11320 1 300 . 1 1 28 28 GLN CG C 13 34.584 0.300 . 1 . . . . 28 GLN CG . 11320 1 301 . 1 1 28 28 GLN N N 15 117.963 0.300 . 1 . . . . 28 GLN N . 11320 1 302 . 1 1 28 28 GLN NE2 N 15 111.847 0.300 . 1 . . . . 28 GLN NE2 . 11320 1 303 . 1 1 29 29 ASP H H 1 8.302 0.030 . 1 . . . . 29 ASP H . 11320 1 304 . 1 1 29 29 ASP HA H 1 4.493 0.030 . 1 . . . . 29 ASP HA . 11320 1 305 . 1 1 29 29 ASP HB2 H 1 3.004 0.030 . 2 . . . . 29 ASP HB2 . 11320 1 306 . 1 1 29 29 ASP HB3 H 1 3.211 0.030 . 2 . . . . 29 ASP HB3 . 11320 1 307 . 1 1 29 29 ASP C C 13 179.135 0.300 . 1 . . . . 29 ASP C . 11320 1 308 . 1 1 29 29 ASP CA C 13 57.691 0.300 . 1 . . . . 29 ASP CA . 11320 1 309 . 1 1 29 29 ASP CB C 13 41.631 0.300 . 1 . . . . 29 ASP CB . 11320 1 310 . 1 1 29 29 ASP N N 15 119.715 0.300 . 1 . . . . 29 ASP N . 11320 1 311 . 1 1 30 30 VAL H H 1 7.445 0.030 . 1 . . . . 30 VAL H . 11320 1 312 . 1 1 30 30 VAL HA H 1 3.104 0.030 . 1 . . . . 30 VAL HA . 11320 1 313 . 1 1 30 30 VAL HB H 1 1.910 0.030 . 1 . . . . 30 VAL HB . 11320 1 314 . 1 1 30 30 VAL HG11 H 1 0.356 0.030 . 1 . . . . 30 VAL HG1 . 11320 1 315 . 1 1 30 30 VAL HG12 H 1 0.356 0.030 . 1 . . . . 30 VAL HG1 . 11320 1 316 . 1 1 30 30 VAL HG13 H 1 0.356 0.030 . 1 . . . . 30 VAL HG1 . 11320 1 317 . 1 1 30 30 VAL HG21 H 1 0.523 0.030 . 1 . . . . 30 VAL HG2 . 11320 1 318 . 1 1 30 30 VAL HG22 H 1 0.523 0.030 . 1 . . . . 30 VAL HG2 . 11320 1 319 . 1 1 30 30 VAL HG23 H 1 0.523 0.030 . 1 . . . . 30 VAL HG2 . 11320 1 320 . 1 1 30 30 VAL C C 13 177.144 0.300 . 1 . . . . 30 VAL C . 11320 1 321 . 1 1 30 30 VAL CA C 13 66.101 0.300 . 1 . . . . 30 VAL CA . 11320 1 322 . 1 1 30 30 VAL CB C 13 31.652 0.300 . 1 . . . . 30 VAL CB . 11320 1 323 . 1 1 30 30 VAL CG1 C 13 21.122 0.300 . 2 . . . . 30 VAL CG1 . 11320 1 324 . 1 1 30 30 VAL CG2 C 13 22.094 0.300 . 2 . . . . 30 VAL CG2 . 11320 1 325 . 1 1 30 30 VAL N N 15 117.622 0.300 . 1 . . . . 30 VAL N . 11320 1 326 . 1 1 31 31 VAL H H 1 7.687 0.030 . 1 . . . . 31 VAL H . 11320 1 327 . 1 1 31 31 VAL HA H 1 3.066 0.030 . 1 . . . . 31 VAL HA . 11320 1 328 . 1 1 31 31 VAL HB H 1 2.024 0.030 . 1 . . . . 31 VAL HB . 11320 1 329 . 1 1 31 31 VAL HG11 H 1 0.985 0.030 . 1 . . . . 31 VAL HG1 . 11320 1 330 . 1 1 31 31 VAL HG12 H 1 0.985 0.030 . 1 . . . . 31 VAL HG1 . 11320 1 331 . 1 1 31 31 VAL HG13 H 1 0.985 0.030 . 1 . . . . 31 VAL HG1 . 11320 1 332 . 1 1 31 31 VAL HG21 H 1 0.892 0.030 . 1 . . . . 31 VAL HG2 . 11320 1 333 . 1 1 31 31 VAL HG22 H 1 0.892 0.030 . 1 . . . . 31 VAL HG2 . 11320 1 334 . 1 1 31 31 VAL HG23 H 1 0.892 0.030 . 1 . . . . 31 VAL HG2 . 11320 1 335 . 1 1 31 31 VAL C C 13 177.725 0.300 . 1 . . . . 31 VAL C . 11320 1 336 . 1 1 31 31 VAL CA C 13 67.175 0.300 . 1 . . . . 31 VAL CA . 11320 1 337 . 1 1 31 31 VAL CB C 13 31.591 0.300 . 1 . . . . 31 VAL CB . 11320 1 338 . 1 1 31 31 VAL CG1 C 13 21.589 0.300 . 2 . . . . 31 VAL CG1 . 11320 1 339 . 1 1 31 31 VAL CG2 C 13 21.155 0.300 . 2 . . . . 31 VAL CG2 . 11320 1 340 . 1 1 31 31 VAL N N 15 116.824 0.300 . 1 . . . . 31 VAL N . 11320 1 341 . 1 1 32 32 ARG H H 1 8.705 0.030 . 1 . . . . 32 ARG H . 11320 1 342 . 1 1 32 32 ARG HA H 1 4.167 0.030 . 1 . . . . 32 ARG HA . 11320 1 343 . 1 1 32 32 ARG HB2 H 1 2.060 0.030 . 2 . . . . 32 ARG HB2 . 11320 1 344 . 1 1 32 32 ARG HB3 H 1 1.927 0.030 . 2 . . . . 32 ARG HB3 . 11320 1 345 . 1 1 32 32 ARG HD2 H 1 3.268 0.030 . 1 . . . . 32 ARG HD2 . 11320 1 346 . 1 1 32 32 ARG HD3 H 1 3.268 0.030 . 1 . . . . 32 ARG HD3 . 11320 1 347 . 1 1 32 32 ARG HG2 H 1 1.766 0.030 . 2 . . . . 32 ARG HG2 . 11320 1 348 . 1 1 32 32 ARG HG3 H 1 1.850 0.030 . 2 . . . . 32 ARG HG3 . 11320 1 349 . 1 1 32 32 ARG C C 13 179.573 0.300 . 1 . . . . 32 ARG C . 11320 1 350 . 1 1 32 32 ARG CA C 13 59.216 0.300 . 1 . . . . 32 ARG CA . 11320 1 351 . 1 1 32 32 ARG CB C 13 30.017 0.300 . 1 . . . . 32 ARG CB . 11320 1 352 . 1 1 32 32 ARG CD C 13 43.527 0.300 . 1 . . . . 32 ARG CD . 11320 1 353 . 1 1 32 32 ARG CG C 13 27.837 0.300 . 1 . . . . 32 ARG CG . 11320 1 354 . 1 1 32 32 ARG N N 15 118.604 0.300 . 1 . . . . 32 ARG N . 11320 1 355 . 1 1 33 33 PHE H H 1 7.617 0.030 . 1 . . . . 33 PHE H . 11320 1 356 . 1 1 33 33 PHE HA H 1 4.175 0.030 . 1 . . . . 33 PHE HA . 11320 1 357 . 1 1 33 33 PHE HB2 H 1 3.421 0.030 . 2 . . . . 33 PHE HB2 . 11320 1 358 . 1 1 33 33 PHE HB3 H 1 3.494 0.030 . 2 . . . . 33 PHE HB3 . 11320 1 359 . 1 1 33 33 PHE HD1 H 1 7.125 0.030 . 1 . . . . 33 PHE HD1 . 11320 1 360 . 1 1 33 33 PHE HD2 H 1 7.125 0.030 . 1 . . . . 33 PHE HD2 . 11320 1 361 . 1 1 33 33 PHE HE1 H 1 7.113 0.030 . 1 . . . . 33 PHE HE1 . 11320 1 362 . 1 1 33 33 PHE HE2 H 1 7.113 0.030 . 1 . . . . 33 PHE HE2 . 11320 1 363 . 1 1 33 33 PHE HZ H 1 7.112 0.030 . 1 . . . . 33 PHE HZ . 11320 1 364 . 1 1 33 33 PHE C C 13 178.592 0.300 . 1 . . . . 33 PHE C . 11320 1 365 . 1 1 33 33 PHE CA C 13 62.241 0.300 . 1 . . . . 33 PHE CA . 11320 1 366 . 1 1 33 33 PHE CB C 13 39.438 0.300 . 1 . . . . 33 PHE CB . 11320 1 367 . 1 1 33 33 PHE CD1 C 13 131.482 0.300 . 1 . . . . 33 PHE CD1 . 11320 1 368 . 1 1 33 33 PHE CD2 C 13 131.482 0.300 . 1 . . . . 33 PHE CD2 . 11320 1 369 . 1 1 33 33 PHE CE1 C 13 130.806 0.300 . 1 . . . . 33 PHE CE1 . 11320 1 370 . 1 1 33 33 PHE CE2 C 13 130.806 0.300 . 1 . . . . 33 PHE CE2 . 11320 1 371 . 1 1 33 33 PHE CZ C 13 130.806 0.300 . 1 . . . . 33 PHE CZ . 11320 1 372 . 1 1 33 33 PHE N N 15 120.159 0.300 . 1 . . . . 33 PHE N . 11320 1 373 . 1 1 34 34 LEU H H 1 8.044 0.030 . 1 . . . . 34 LEU H . 11320 1 374 . 1 1 34 34 LEU HA H 1 3.799 0.030 . 1 . . . . 34 LEU HA . 11320 1 375 . 1 1 34 34 LEU HB2 H 1 1.179 0.030 . 2 . . . . 34 LEU HB2 . 11320 1 376 . 1 1 34 34 LEU HB3 H 1 1.265 0.030 . 2 . . . . 34 LEU HB3 . 11320 1 377 . 1 1 34 34 LEU HD11 H 1 0.260 0.030 . 1 . . . . 34 LEU HD1 . 11320 1 378 . 1 1 34 34 LEU HD12 H 1 0.260 0.030 . 1 . . . . 34 LEU HD1 . 11320 1 379 . 1 1 34 34 LEU HD13 H 1 0.260 0.030 . 1 . . . . 34 LEU HD1 . 11320 1 380 . 1 1 34 34 LEU HD21 H 1 0.765 0.030 . 1 . . . . 34 LEU HD2 . 11320 1 381 . 1 1 34 34 LEU HD22 H 1 0.765 0.030 . 1 . . . . 34 LEU HD2 . 11320 1 382 . 1 1 34 34 LEU HD23 H 1 0.765 0.030 . 1 . . . . 34 LEU HD2 . 11320 1 383 . 1 1 34 34 LEU HG H 1 1.951 0.030 . 1 . . . . 34 LEU HG . 11320 1 384 . 1 1 34 34 LEU C C 13 178.859 0.300 . 1 . . . . 34 LEU C . 11320 1 385 . 1 1 34 34 LEU CA C 13 58.641 0.300 . 1 . . . . 34 LEU CA . 11320 1 386 . 1 1 34 34 LEU CB C 13 40.114 0.300 . 1 . . . . 34 LEU CB . 11320 1 387 . 1 1 34 34 LEU CD1 C 13 26.805 0.300 . 2 . . . . 34 LEU CD1 . 11320 1 388 . 1 1 34 34 LEU CD2 C 13 23.430 0.300 . 2 . . . . 34 LEU CD2 . 11320 1 389 . 1 1 34 34 LEU CG C 13 25.787 0.300 . 1 . . . . 34 LEU CG . 11320 1 390 . 1 1 34 34 LEU N N 15 121.238 0.300 . 1 . . . . 34 LEU N . 11320 1 391 . 1 1 35 35 GLU H H 1 8.495 0.030 . 1 . . . . 35 GLU H . 11320 1 392 . 1 1 35 35 GLU HA H 1 4.277 0.030 . 1 . . . . 35 GLU HA . 11320 1 393 . 1 1 35 35 GLU HB2 H 1 2.245 0.030 . 2 . . . . 35 GLU HB2 . 11320 1 394 . 1 1 35 35 GLU HB3 H 1 2.055 0.030 . 2 . . . . 35 GLU HB3 . 11320 1 395 . 1 1 35 35 GLU HG2 H 1 2.339 0.030 . 2 . . . . 35 GLU HG2 . 11320 1 396 . 1 1 35 35 GLU HG3 H 1 2.618 0.030 . 2 . . . . 35 GLU HG3 . 11320 1 397 . 1 1 35 35 GLU C C 13 181.199 0.300 . 1 . . . . 35 GLU C . 11320 1 398 . 1 1 35 35 GLU CA C 13 59.395 0.300 . 1 . . . . 35 GLU CA . 11320 1 399 . 1 1 35 35 GLU CB C 13 30.364 0.300 . 1 . . . . 35 GLU CB . 11320 1 400 . 1 1 35 35 GLU CG C 13 36.931 0.300 . 1 . . . . 35 GLU CG . 11320 1 401 . 1 1 35 35 GLU N N 15 118.105 0.300 . 1 . . . . 35 GLU N . 11320 1 402 . 1 1 36 36 ALA H H 1 8.365 0.030 . 1 . . . . 36 ALA H . 11320 1 403 . 1 1 36 36 ALA HA H 1 4.102 0.030 . 1 . . . . 36 ALA HA . 11320 1 404 . 1 1 36 36 ALA HB1 H 1 1.399 0.030 . 1 . . . . 36 ALA HB . 11320 1 405 . 1 1 36 36 ALA HB2 H 1 1.399 0.030 . 1 . . . . 36 ALA HB . 11320 1 406 . 1 1 36 36 ALA HB3 H 1 1.399 0.030 . 1 . . . . 36 ALA HB . 11320 1 407 . 1 1 36 36 ALA C C 13 178.901 0.300 . 1 . . . . 36 ALA C . 11320 1 408 . 1 1 36 36 ALA CA C 13 54.651 0.300 . 1 . . . . 36 ALA CA . 11320 1 409 . 1 1 36 36 ALA CB C 13 18.234 0.300 . 1 . . . . 36 ALA CB . 11320 1 410 . 1 1 36 36 ALA N N 15 121.969 0.300 . 1 . . . . 36 ALA N . 11320 1 411 . 1 1 37 37 ASN H H 1 7.282 0.030 . 1 . . . . 37 ASN H . 11320 1 412 . 1 1 37 37 ASN HA H 1 4.564 0.030 . 1 . . . . 37 ASN HA . 11320 1 413 . 1 1 37 37 ASN HB2 H 1 2.749 0.030 . 2 . . . . 37 ASN HB2 . 11320 1 414 . 1 1 37 37 ASN HB3 H 1 2.101 0.030 . 2 . . . . 37 ASN HB3 . 11320 1 415 . 1 1 37 37 ASN HD21 H 1 6.299 0.030 . 2 . . . . 37 ASN HD21 . 11320 1 416 . 1 1 37 37 ASN HD22 H 1 6.627 0.030 . 2 . . . . 37 ASN HD22 . 11320 1 417 . 1 1 37 37 ASN C C 13 172.277 0.300 . 1 . . . . 37 ASN C . 11320 1 418 . 1 1 37 37 ASN CA C 13 53.741 0.300 . 1 . . . . 37 ASN CA . 11320 1 419 . 1 1 37 37 ASN CB C 13 39.883 0.300 . 1 . . . . 37 ASN CB . 11320 1 420 . 1 1 37 37 ASN N N 15 112.883 0.300 . 1 . . . . 37 ASN N . 11320 1 421 . 1 1 37 37 ASN ND2 N 15 116.375 0.300 . 1 . . . . 37 ASN ND2 . 11320 1 422 . 1 1 38 38 LYS H H 1 7.872 0.030 . 1 . . . . 38 LYS H . 11320 1 423 . 1 1 38 38 LYS HA H 1 3.962 0.030 . 1 . . . . 38 LYS HA . 11320 1 424 . 1 1 38 38 LYS HB2 H 1 2.027 0.030 . 2 . . . . 38 LYS HB2 . 11320 1 425 . 1 1 38 38 LYS HB3 H 1 1.958 0.030 . 2 . . . . 38 LYS HB3 . 11320 1 426 . 1 1 38 38 LYS HD2 H 1 1.669 0.030 . 2 . . . . 38 LYS HD2 . 11320 1 427 . 1 1 38 38 LYS HD3 H 1 1.746 0.030 . 2 . . . . 38 LYS HD3 . 11320 1 428 . 1 1 38 38 LYS HE2 H 1 3.013 0.030 . 1 . . . . 38 LYS HE2 . 11320 1 429 . 1 1 38 38 LYS HE3 H 1 3.013 0.030 . 1 . . . . 38 LYS HE3 . 11320 1 430 . 1 1 38 38 LYS HG2 H 1 1.367 0.030 . 1 . . . . 38 LYS HG2 . 11320 1 431 . 1 1 38 38 LYS HG3 H 1 1.367 0.030 . 1 . . . . 38 LYS HG3 . 11320 1 432 . 1 1 38 38 LYS C C 13 175.274 0.300 . 1 . . . . 38 LYS C . 11320 1 433 . 1 1 38 38 LYS CA C 13 57.144 0.300 . 1 . . . . 38 LYS CA . 11320 1 434 . 1 1 38 38 LYS CB C 13 28.596 0.300 . 1 . . . . 38 LYS CB . 11320 1 435 . 1 1 38 38 LYS CD C 13 28.915 0.300 . 1 . . . . 38 LYS CD . 11320 1 436 . 1 1 38 38 LYS CE C 13 42.342 0.300 . 1 . . . . 38 LYS CE . 11320 1 437 . 1 1 38 38 LYS CG C 13 25.046 0.300 . 1 . . . . 38 LYS CG . 11320 1 438 . 1 1 38 38 LYS N N 15 116.192 0.300 . 1 . . . . 38 LYS N . 11320 1 439 . 1 1 39 39 ILE H H 1 8.105 0.030 . 1 . . . . 39 ILE H . 11320 1 440 . 1 1 39 39 ILE HA H 1 4.055 0.030 . 1 . . . . 39 ILE HA . 11320 1 441 . 1 1 39 39 ILE HB H 1 1.625 0.030 . 1 . . . . 39 ILE HB . 11320 1 442 . 1 1 39 39 ILE HD11 H 1 0.626 0.030 . 1 . . . . 39 ILE HD1 . 11320 1 443 . 1 1 39 39 ILE HD12 H 1 0.626 0.030 . 1 . . . . 39 ILE HD1 . 11320 1 444 . 1 1 39 39 ILE HD13 H 1 0.626 0.030 . 1 . . . . 39 ILE HD1 . 11320 1 445 . 1 1 39 39 ILE HG12 H 1 1.506 0.030 . 2 . . . . 39 ILE HG12 . 11320 1 446 . 1 1 39 39 ILE HG13 H 1 0.983 0.030 . 2 . . . . 39 ILE HG13 . 11320 1 447 . 1 1 39 39 ILE HG21 H 1 0.919 0.030 . 1 . . . . 39 ILE HG2 . 11320 1 448 . 1 1 39 39 ILE HG22 H 1 0.919 0.030 . 1 . . . . 39 ILE HG2 . 11320 1 449 . 1 1 39 39 ILE HG23 H 1 0.919 0.030 . 1 . . . . 39 ILE HG2 . 11320 1 450 . 1 1 39 39 ILE C C 13 176.091 0.300 . 1 . . . . 39 ILE C . 11320 1 451 . 1 1 39 39 ILE CA C 13 60.465 0.300 . 1 . . . . 39 ILE CA . 11320 1 452 . 1 1 39 39 ILE CB C 13 39.252 0.300 . 1 . . . . 39 ILE CB . 11320 1 453 . 1 1 39 39 ILE CD1 C 13 13.971 0.300 . 1 . . . . 39 ILE CD1 . 11320 1 454 . 1 1 39 39 ILE CG1 C 13 27.674 0.300 . 1 . . . . 39 ILE CG1 . 11320 1 455 . 1 1 39 39 ILE CG2 C 13 18.438 0.300 . 1 . . . . 39 ILE CG2 . 11320 1 456 . 1 1 39 39 ILE N N 15 121.071 0.300 . 1 . . . . 39 ILE N . 11320 1 457 . 1 1 40 40 GLU H H 1 8.567 0.030 . 1 . . . . 40 GLU H . 11320 1 458 . 1 1 40 40 GLU HA H 1 4.279 0.030 . 1 . . . . 40 GLU HA . 11320 1 459 . 1 1 40 40 GLU HB2 H 1 2.070 0.030 . 1 . . . . 40 GLU HB2 . 11320 1 460 . 1 1 40 40 GLU HB3 H 1 2.070 0.030 . 1 . . . . 40 GLU HB3 . 11320 1 461 . 1 1 40 40 GLU HG2 H 1 2.240 0.030 . 2 . . . . 40 GLU HG2 . 11320 1 462 . 1 1 40 40 GLU HG3 H 1 2.334 0.030 . 2 . . . . 40 GLU HG3 . 11320 1 463 . 1 1 40 40 GLU C C 13 176.040 0.300 . 1 . . . . 40 GLU C . 11320 1 464 . 1 1 40 40 GLU CA C 13 57.699 0.300 . 1 . . . . 40 GLU CA . 11320 1 465 . 1 1 40 40 GLU CB C 13 29.648 0.300 . 1 . . . . 40 GLU CB . 11320 1 466 . 1 1 40 40 GLU CG C 13 36.515 0.300 . 1 . . . . 40 GLU CG . 11320 1 467 . 1 1 40 40 GLU N N 15 129.036 0.300 . 1 . . . . 40 GLU N . 11320 1 468 . 1 1 41 41 PHE H H 1 8.256 0.030 . 1 . . . . 41 PHE H . 11320 1 469 . 1 1 41 41 PHE HA H 1 5.953 0.030 . 1 . . . . 41 PHE HA . 11320 1 470 . 1 1 41 41 PHE HB2 H 1 2.907 0.030 . 2 . . . . 41 PHE HB2 . 11320 1 471 . 1 1 41 41 PHE HB3 H 1 2.823 0.030 . 2 . . . . 41 PHE HB3 . 11320 1 472 . 1 1 41 41 PHE HD1 H 1 7.241 0.030 . 1 . . . . 41 PHE HD1 . 11320 1 473 . 1 1 41 41 PHE HD2 H 1 7.241 0.030 . 1 . . . . 41 PHE HD2 . 11320 1 474 . 1 1 41 41 PHE HE1 H 1 7.275 0.030 . 1 . . . . 41 PHE HE1 . 11320 1 475 . 1 1 41 41 PHE HE2 H 1 7.275 0.030 . 1 . . . . 41 PHE HE2 . 11320 1 476 . 1 1 41 41 PHE HZ H 1 7.385 0.030 . 1 . . . . 41 PHE HZ . 11320 1 477 . 1 1 41 41 PHE C C 13 173.149 0.300 . 1 . . . . 41 PHE C . 11320 1 478 . 1 1 41 41 PHE CA C 13 55.440 0.300 . 1 . . . . 41 PHE CA . 11320 1 479 . 1 1 41 41 PHE CB C 13 43.853 0.300 . 1 . . . . 41 PHE CB . 11320 1 480 . 1 1 41 41 PHE CD1 C 13 132.351 0.300 . 1 . . . . 41 PHE CD1 . 11320 1 481 . 1 1 41 41 PHE CD2 C 13 132.351 0.300 . 1 . . . . 41 PHE CD2 . 11320 1 482 . 1 1 41 41 PHE CE1 C 13 131.281 0.300 . 1 . . . . 41 PHE CE1 . 11320 1 483 . 1 1 41 41 PHE CE2 C 13 131.281 0.300 . 1 . . . . 41 PHE CE2 . 11320 1 484 . 1 1 41 41 PHE CZ C 13 130.806 0.300 . 1 . . . . 41 PHE CZ . 11320 1 485 . 1 1 41 41 PHE N N 15 121.856 0.300 . 1 . . . . 41 PHE N . 11320 1 486 . 1 1 42 42 GLU H H 1 9.136 0.030 . 1 . . . . 42 GLU H . 11320 1 487 . 1 1 42 42 GLU HA H 1 4.395 0.030 . 1 . . . . 42 GLU HA . 11320 1 488 . 1 1 42 42 GLU HB2 H 1 1.760 0.030 . 2 . . . . 42 GLU HB2 . 11320 1 489 . 1 1 42 42 GLU HB3 H 1 1.674 0.030 . 2 . . . . 42 GLU HB3 . 11320 1 490 . 1 1 42 42 GLU HG2 H 1 1.938 0.030 . 1 . . . . 42 GLU HG2 . 11320 1 491 . 1 1 42 42 GLU HG3 H 1 1.938 0.030 . 1 . . . . 42 GLU HG3 . 11320 1 492 . 1 1 42 42 GLU C C 13 174.927 0.300 . 1 . . . . 42 GLU C . 11320 1 493 . 1 1 42 42 GLU CA C 13 54.245 0.300 . 1 . . . . 42 GLU CA . 11320 1 494 . 1 1 42 42 GLU CB C 13 33.621 0.300 . 1 . . . . 42 GLU CB . 11320 1 495 . 1 1 42 42 GLU CG C 13 35.388 0.300 . 1 . . . . 42 GLU CG . 11320 1 496 . 1 1 42 42 GLU N N 15 119.972 0.300 . 1 . . . . 42 GLU N . 11320 1 497 . 1 1 43 43 GLU H H 1 8.763 0.030 . 1 . . . . 43 GLU H . 11320 1 498 . 1 1 43 43 GLU HA H 1 5.001 0.030 . 1 . . . . 43 GLU HA . 11320 1 499 . 1 1 43 43 GLU HB2 H 1 1.938 0.030 . 2 . . . . 43 GLU HB2 . 11320 1 500 . 1 1 43 43 GLU HB3 H 1 1.855 0.030 . 2 . . . . 43 GLU HB3 . 11320 1 501 . 1 1 43 43 GLU HG2 H 1 2.033 0.030 . 2 . . . . 43 GLU HG2 . 11320 1 502 . 1 1 43 43 GLU HG3 H 1 2.323 0.030 . 2 . . . . 43 GLU HG3 . 11320 1 503 . 1 1 43 43 GLU C C 13 176.326 0.300 . 1 . . . . 43 GLU C . 11320 1 504 . 1 1 43 43 GLU CA C 13 55.361 0.300 . 1 . . . . 43 GLU CA . 11320 1 505 . 1 1 43 43 GLU CB C 13 31.894 0.300 . 1 . . . . 43 GLU CB . 11320 1 506 . 1 1 43 43 GLU CG C 13 38.119 0.300 . 1 . . . . 43 GLU CG . 11320 1 507 . 1 1 43 43 GLU N N 15 123.911 0.300 . 1 . . . . 43 GLU N . 11320 1 508 . 1 1 44 44 VAL H H 1 8.802 0.030 . 1 . . . . 44 VAL H . 11320 1 509 . 1 1 44 44 VAL HA H 1 3.805 0.030 . 1 . . . . 44 VAL HA . 11320 1 510 . 1 1 44 44 VAL HB H 1 0.728 0.030 . 1 . . . . 44 VAL HB . 11320 1 511 . 1 1 44 44 VAL HG11 H 1 0.335 0.030 . 1 . . . . 44 VAL HG1 . 11320 1 512 . 1 1 44 44 VAL HG12 H 1 0.335 0.030 . 1 . . . . 44 VAL HG1 . 11320 1 513 . 1 1 44 44 VAL HG13 H 1 0.335 0.030 . 1 . . . . 44 VAL HG1 . 11320 1 514 . 1 1 44 44 VAL HG21 H 1 0.143 0.030 . 1 . . . . 44 VAL HG2 . 11320 1 515 . 1 1 44 44 VAL HG22 H 1 0.143 0.030 . 1 . . . . 44 VAL HG2 . 11320 1 516 . 1 1 44 44 VAL HG23 H 1 0.143 0.030 . 1 . . . . 44 VAL HG2 . 11320 1 517 . 1 1 44 44 VAL C C 13 174.098 0.300 . 1 . . . . 44 VAL C . 11320 1 518 . 1 1 44 44 VAL CA C 13 61.562 0.300 . 1 . . . . 44 VAL CA . 11320 1 519 . 1 1 44 44 VAL CB C 13 32.501 0.300 . 1 . . . . 44 VAL CB . 11320 1 520 . 1 1 44 44 VAL CG1 C 13 21.503 0.300 . 2 . . . . 44 VAL CG1 . 11320 1 521 . 1 1 44 44 VAL CG2 C 13 19.485 0.300 . 2 . . . . 44 VAL CG2 . 11320 1 522 . 1 1 44 44 VAL N N 15 126.695 0.300 . 1 . . . . 44 VAL N . 11320 1 523 . 1 1 45 45 ASP H H 1 8.451 0.030 . 1 . . . . 45 ASP H . 11320 1 524 . 1 1 45 45 ASP HA H 1 5.123 0.030 . 1 . . . . 45 ASP HA . 11320 1 525 . 1 1 45 45 ASP HB2 H 1 2.432 0.030 . 2 . . . . 45 ASP HB2 . 11320 1 526 . 1 1 45 45 ASP HB3 H 1 2.899 0.030 . 2 . . . . 45 ASP HB3 . 11320 1 527 . 1 1 45 45 ASP C C 13 178.840 0.300 . 1 . . . . 45 ASP C . 11320 1 528 . 1 1 45 45 ASP CA C 13 52.538 0.300 . 1 . . . . 45 ASP CA . 11320 1 529 . 1 1 45 45 ASP CB C 13 40.437 0.300 . 1 . . . . 45 ASP CB . 11320 1 530 . 1 1 45 45 ASP N N 15 125.369 0.300 . 1 . . . . 45 ASP N . 11320 1 531 . 1 1 46 46 ILE H H 1 9.615 0.030 . 1 . . . . 46 ILE H . 11320 1 532 . 1 1 46 46 ILE HA H 1 4.242 0.030 . 1 . . . . 46 ILE HA . 11320 1 533 . 1 1 46 46 ILE HB H 1 1.960 0.030 . 1 . . . . 46 ILE HB . 11320 1 534 . 1 1 46 46 ILE HD11 H 1 0.932 0.030 . 1 . . . . 46 ILE HD1 . 11320 1 535 . 1 1 46 46 ILE HD12 H 1 0.932 0.030 . 1 . . . . 46 ILE HD1 . 11320 1 536 . 1 1 46 46 ILE HD13 H 1 0.932 0.030 . 1 . . . . 46 ILE HD1 . 11320 1 537 . 1 1 46 46 ILE HG12 H 1 1.605 0.030 . 2 . . . . 46 ILE HG12 . 11320 1 538 . 1 1 46 46 ILE HG13 H 1 1.395 0.030 . 2 . . . . 46 ILE HG13 . 11320 1 539 . 1 1 46 46 ILE HG21 H 1 1.295 0.030 . 1 . . . . 46 ILE HG2 . 11320 1 540 . 1 1 46 46 ILE HG22 H 1 1.295 0.030 . 1 . . . . 46 ILE HG2 . 11320 1 541 . 1 1 46 46 ILE HG23 H 1 1.295 0.030 . 1 . . . . 46 ILE HG2 . 11320 1 542 . 1 1 46 46 ILE C C 13 176.640 0.300 . 1 . . . . 46 ILE C . 11320 1 543 . 1 1 46 46 ILE CA C 13 63.650 0.300 . 1 . . . . 46 ILE CA . 11320 1 544 . 1 1 46 46 ILE CB C 13 37.804 0.300 . 1 . . . . 46 ILE CB . 11320 1 545 . 1 1 46 46 ILE CD1 C 13 14.571 0.300 . 1 . . . . 46 ILE CD1 . 11320 1 546 . 1 1 46 46 ILE CG1 C 13 24.810 0.300 . 1 . . . . 46 ILE CG1 . 11320 1 547 . 1 1 46 46 ILE CG2 C 13 19.559 0.300 . 1 . . . . 46 ILE CG2 . 11320 1 548 . 1 1 46 46 ILE N N 15 122.563 0.300 . 1 . . . . 46 ILE N . 11320 1 549 . 1 1 47 47 THR H H 1 8.824 0.030 . 1 . . . . 47 THR H . 11320 1 550 . 1 1 47 47 THR HA H 1 4.156 0.030 . 1 . . . . 47 THR HA . 11320 1 551 . 1 1 47 47 THR HB H 1 4.447 0.030 . 1 . . . . 47 THR HB . 11320 1 552 . 1 1 47 47 THR HG21 H 1 1.276 0.030 . 1 . . . . 47 THR HG2 . 11320 1 553 . 1 1 47 47 THR HG22 H 1 1.276 0.030 . 1 . . . . 47 THR HG2 . 11320 1 554 . 1 1 47 47 THR HG23 H 1 1.276 0.030 . 1 . . . . 47 THR HG2 . 11320 1 555 . 1 1 47 47 THR C C 13 175.640 0.300 . 1 . . . . 47 THR C . 11320 1 556 . 1 1 47 47 THR CA C 13 64.988 0.300 . 1 . . . . 47 THR CA . 11320 1 557 . 1 1 47 47 THR CB C 13 68.574 0.300 . 1 . . . . 47 THR CB . 11320 1 558 . 1 1 47 47 THR CG2 C 13 23.071 0.300 . 1 . . . . 47 THR CG2 . 11320 1 559 . 1 1 47 47 THR N N 15 117.303 0.300 . 1 . . . . 47 THR N . 11320 1 560 . 1 1 48 48 MET H H 1 7.065 0.030 . 1 . . . . 48 MET H . 11320 1 561 . 1 1 48 48 MET HA H 1 4.606 0.030 . 1 . . . . 48 MET HA . 11320 1 562 . 1 1 48 48 MET HB2 H 1 1.886 0.030 . 2 . . . . 48 MET HB2 . 11320 1 563 . 1 1 48 48 MET HB3 H 1 2.216 0.030 . 2 . . . . 48 MET HB3 . 11320 1 564 . 1 1 48 48 MET HE1 H 1 2.058 0.030 . 1 . . . . 48 MET HE . 11320 1 565 . 1 1 48 48 MET HE2 H 1 2.058 0.030 . 1 . . . . 48 MET HE . 11320 1 566 . 1 1 48 48 MET HE3 H 1 2.058 0.030 . 1 . . . . 48 MET HE . 11320 1 567 . 1 1 48 48 MET HG2 H 1 2.382 0.030 . 2 . . . . 48 MET HG2 . 11320 1 568 . 1 1 48 48 MET HG3 H 1 2.633 0.030 . 2 . . . . 48 MET HG3 . 11320 1 569 . 1 1 48 48 MET C C 13 176.098 0.300 . 1 . . . . 48 MET C . 11320 1 570 . 1 1 48 48 MET CA C 13 54.748 0.300 . 1 . . . . 48 MET CA . 11320 1 571 . 1 1 48 48 MET CB C 13 33.297 0.300 . 1 . . . . 48 MET CB . 11320 1 572 . 1 1 48 48 MET CE C 13 16.827 0.300 . 1 . . . . 48 MET CE . 11320 1 573 . 1 1 48 48 MET CG C 13 32.273 0.300 . 1 . . . . 48 MET CG . 11320 1 574 . 1 1 48 48 MET N N 15 116.152 0.300 . 1 . . . . 48 MET N . 11320 1 575 . 1 1 49 49 SER H H 1 6.961 0.030 . 1 . . . . 49 SER H . 11320 1 576 . 1 1 49 49 SER HA H 1 4.826 0.030 . 1 . . . . 49 SER HA . 11320 1 577 . 1 1 49 49 SER HB2 H 1 3.845 0.030 . 2 . . . . 49 SER HB2 . 11320 1 578 . 1 1 49 49 SER HB3 H 1 3.594 0.030 . 2 . . . . 49 SER HB3 . 11320 1 579 . 1 1 49 49 SER C C 13 173.785 0.300 . 1 . . . . 49 SER C . 11320 1 580 . 1 1 49 49 SER CA C 13 55.791 0.300 . 1 . . . . 49 SER CA . 11320 1 581 . 1 1 49 49 SER CB C 13 63.093 0.300 . 1 . . . . 49 SER CB . 11320 1 582 . 1 1 49 49 SER N N 15 111.856 0.300 . 1 . . . . 49 SER N . 11320 1 583 . 1 1 50 50 GLU H H 1 9.042 0.030 . 1 . . . . 50 GLU H . 11320 1 584 . 1 1 50 50 GLU HA H 1 4.173 0.030 . 1 . . . . 50 GLU HA . 11320 1 585 . 1 1 50 50 GLU HB2 H 1 2.097 0.030 . 2 . . . . 50 GLU HB2 . 11320 1 586 . 1 1 50 50 GLU HB3 H 1 1.978 0.030 . 2 . . . . 50 GLU HB3 . 11320 1 587 . 1 1 50 50 GLU HG2 H 1 2.333 0.030 . 2 . . . . 50 GLU HG2 . 11320 1 588 . 1 1 50 50 GLU HG3 H 1 2.361 0.030 . 2 . . . . 50 GLU HG3 . 11320 1 589 . 1 1 50 50 GLU C C 13 178.471 0.300 . 1 . . . . 50 GLU C . 11320 1 590 . 1 1 50 50 GLU CA C 13 58.860 0.300 . 1 . . . . 50 GLU CA . 11320 1 591 . 1 1 50 50 GLU CB C 13 29.271 0.300 . 1 . . . . 50 GLU CB . 11320 1 592 . 1 1 50 50 GLU CG C 13 35.666 0.300 . 1 . . . . 50 GLU CG . 11320 1 593 . 1 1 50 50 GLU N N 15 131.844 0.300 . 1 . . . . 50 GLU N . 11320 1 594 . 1 1 51 51 GLU H H 1 8.660 0.030 . 1 . . . . 51 GLU H . 11320 1 595 . 1 1 51 51 GLU HA H 1 4.035 0.030 . 1 . . . . 51 GLU HA . 11320 1 596 . 1 1 51 51 GLU HB2 H 1 1.880 0.030 . 2 . . . . 51 GLU HB2 . 11320 1 597 . 1 1 51 51 GLU HB3 H 1 2.013 0.030 . 2 . . . . 51 GLU HB3 . 11320 1 598 . 1 1 51 51 GLU HG2 H 1 2.239 0.030 . 2 . . . . 51 GLU HG2 . 11320 1 599 . 1 1 51 51 GLU HG3 H 1 2.294 0.030 . 2 . . . . 51 GLU HG3 . 11320 1 600 . 1 1 51 51 GLU C C 13 180.261 0.300 . 1 . . . . 51 GLU C . 11320 1 601 . 1 1 51 51 GLU CA C 13 59.953 0.300 . 1 . . . . 51 GLU CA . 11320 1 602 . 1 1 51 51 GLU CB C 13 29.454 0.300 . 1 . . . . 51 GLU CB . 11320 1 603 . 1 1 51 51 GLU CG C 13 36.496 0.300 . 1 . . . . 51 GLU CG . 11320 1 604 . 1 1 51 51 GLU N N 15 118.961 0.300 . 1 . . . . 51 GLU N . 11320 1 605 . 1 1 52 52 GLN H H 1 7.958 0.030 . 1 . . . . 52 GLN H . 11320 1 606 . 1 1 52 52 GLN HA H 1 4.543 0.030 . 1 . . . . 52 GLN HA . 11320 1 607 . 1 1 52 52 GLN HB2 H 1 2.163 0.030 . 2 . . . . 52 GLN HB2 . 11320 1 608 . 1 1 52 52 GLN HB3 H 1 1.801 0.030 . 2 . . . . 52 GLN HB3 . 11320 1 609 . 1 1 52 52 GLN HE21 H 1 7.135 0.030 . 2 . . . . 52 GLN HE21 . 11320 1 610 . 1 1 52 52 GLN HE22 H 1 6.252 0.030 . 2 . . . . 52 GLN HE22 . 11320 1 611 . 1 1 52 52 GLN HG2 H 1 2.364 0.030 . 2 . . . . 52 GLN HG2 . 11320 1 612 . 1 1 52 52 GLN HG3 H 1 2.241 0.030 . 2 . . . . 52 GLN HG3 . 11320 1 613 . 1 1 52 52 GLN C C 13 178.128 0.300 . 1 . . . . 52 GLN C . 11320 1 614 . 1 1 52 52 GLN CA C 13 57.605 0.300 . 1 . . . . 52 GLN CA . 11320 1 615 . 1 1 52 52 GLN CB C 13 27.983 0.300 . 1 . . . . 52 GLN CB . 11320 1 616 . 1 1 52 52 GLN CG C 13 32.459 0.300 . 1 . . . . 52 GLN CG . 11320 1 617 . 1 1 52 52 GLN N N 15 118.239 0.300 . 1 . . . . 52 GLN N . 11320 1 618 . 1 1 52 52 GLN NE2 N 15 110.191 0.300 . 1 . . . . 52 GLN NE2 . 11320 1 619 . 1 1 53 53 ARG H H 1 8.163 0.030 . 1 . . . . 53 ARG H . 11320 1 620 . 1 1 53 53 ARG HA H 1 3.559 0.030 . 1 . . . . 53 ARG HA . 11320 1 621 . 1 1 53 53 ARG HB2 H 1 2.237 0.030 . 2 . . . . 53 ARG HB2 . 11320 1 622 . 1 1 53 53 ARG HB3 H 1 2.036 0.030 . 2 . . . . 53 ARG HB3 . 11320 1 623 . 1 1 53 53 ARG HD2 H 1 3.331 0.030 . 1 . . . . 53 ARG HD2 . 11320 1 624 . 1 1 53 53 ARG HD3 H 1 3.331 0.030 . 1 . . . . 53 ARG HD3 . 11320 1 625 . 1 1 53 53 ARG HG2 H 1 1.142 0.030 . 2 . . . . 53 ARG HG2 . 11320 1 626 . 1 1 53 53 ARG HG3 H 1 0.855 0.030 . 2 . . . . 53 ARG HG3 . 11320 1 627 . 1 1 53 53 ARG C C 13 176.675 0.300 . 1 . . . . 53 ARG C . 11320 1 628 . 1 1 53 53 ARG CA C 13 60.793 0.300 . 1 . . . . 53 ARG CA . 11320 1 629 . 1 1 53 53 ARG CB C 13 30.392 0.300 . 1 . . . . 53 ARG CB . 11320 1 630 . 1 1 53 53 ARG CD C 13 43.663 0.300 . 1 . . . . 53 ARG CD . 11320 1 631 . 1 1 53 53 ARG CG C 13 27.439 0.300 . 1 . . . . 53 ARG CG . 11320 1 632 . 1 1 53 53 ARG N N 15 121.358 0.300 . 1 . . . . 53 ARG N . 11320 1 633 . 1 1 54 54 GLN H H 1 8.233 0.030 . 1 . . . . 54 GLN H . 11320 1 634 . 1 1 54 54 GLN HA H 1 3.772 0.030 . 1 . . . . 54 GLN HA . 11320 1 635 . 1 1 54 54 GLN HB2 H 1 2.130 0.030 . 2 . . . . 54 GLN HB2 . 11320 1 636 . 1 1 54 54 GLN HB3 H 1 2.060 0.030 . 2 . . . . 54 GLN HB3 . 11320 1 637 . 1 1 54 54 GLN HE21 H 1 7.721 0.030 . 2 . . . . 54 GLN HE21 . 11320 1 638 . 1 1 54 54 GLN HE22 H 1 6.990 0.030 . 2 . . . . 54 GLN HE22 . 11320 1 639 . 1 1 54 54 GLN HG2 H 1 2.573 0.030 . 1 . . . . 54 GLN HG2 . 11320 1 640 . 1 1 54 54 GLN HG3 H 1 2.573 0.030 . 1 . . . . 54 GLN HG3 . 11320 1 641 . 1 1 54 54 GLN C C 13 178.924 0.300 . 1 . . . . 54 GLN C . 11320 1 642 . 1 1 54 54 GLN CA C 13 58.179 0.300 . 1 . . . . 54 GLN CA . 11320 1 643 . 1 1 54 54 GLN CB C 13 27.649 0.300 . 1 . . . . 54 GLN CB . 11320 1 644 . 1 1 54 54 GLN CG C 13 33.695 0.300 . 1 . . . . 54 GLN CG . 11320 1 645 . 1 1 54 54 GLN N N 15 113.509 0.300 . 1 . . . . 54 GLN N . 11320 1 646 . 1 1 54 54 GLN NE2 N 15 112.637 0.300 . 1 . . . . 54 GLN NE2 . 11320 1 647 . 1 1 55 55 TRP H H 1 8.214 0.030 . 1 . . . . 55 TRP H . 11320 1 648 . 1 1 55 55 TRP HA H 1 3.788 0.030 . 1 . . . . 55 TRP HA . 11320 1 649 . 1 1 55 55 TRP HB2 H 1 3.434 0.030 . 2 . . . . 55 TRP HB2 . 11320 1 650 . 1 1 55 55 TRP HB3 H 1 3.271 0.030 . 2 . . . . 55 TRP HB3 . 11320 1 651 . 1 1 55 55 TRP HD1 H 1 7.227 0.030 . 1 . . . . 55 TRP HD1 . 11320 1 652 . 1 1 55 55 TRP HE1 H 1 10.120 0.030 . 1 . . . . 55 TRP HE1 . 11320 1 653 . 1 1 55 55 TRP HE3 H 1 6.647 0.030 . 1 . . . . 55 TRP HE3 . 11320 1 654 . 1 1 55 55 TRP HH2 H 1 6.578 0.030 . 1 . . . . 55 TRP HH2 . 11320 1 655 . 1 1 55 55 TRP HZ2 H 1 7.257 0.030 . 1 . . . . 55 TRP HZ2 . 11320 1 656 . 1 1 55 55 TRP HZ3 H 1 4.902 0.030 . 1 . . . . 55 TRP HZ3 . 11320 1 657 . 1 1 55 55 TRP C C 13 179.457 0.300 . 1 . . . . 55 TRP C . 11320 1 658 . 1 1 55 55 TRP CA C 13 63.047 0.300 . 1 . . . . 55 TRP CA . 11320 1 659 . 1 1 55 55 TRP CB C 13 29.059 0.300 . 1 . . . . 55 TRP CB . 11320 1 660 . 1 1 55 55 TRP CD1 C 13 127.385 0.300 . 1 . . . . 55 TRP CD1 . 11320 1 661 . 1 1 55 55 TRP CE3 C 13 120.302 0.300 . 1 . . . . 55 TRP CE3 . 11320 1 662 . 1 1 55 55 TRP CH2 C 13 124.216 0.300 . 1 . . . . 55 TRP CH2 . 11320 1 663 . 1 1 55 55 TRP CZ2 C 13 114.435 0.300 . 1 . . . . 55 TRP CZ2 . 11320 1 664 . 1 1 55 55 TRP CZ3 C 13 122.166 0.300 . 1 . . . . 55 TRP CZ3 . 11320 1 665 . 1 1 55 55 TRP N N 15 121.082 0.300 . 1 . . . . 55 TRP N . 11320 1 666 . 1 1 55 55 TRP NE1 N 15 130.618 0.300 . 1 . . . . 55 TRP NE1 . 11320 1 667 . 1 1 56 56 MET H H 1 8.554 0.030 . 1 . . . . 56 MET H . 11320 1 668 . 1 1 56 56 MET HA H 1 3.193 0.030 . 1 . . . . 56 MET HA . 11320 1 669 . 1 1 56 56 MET HB2 H 1 1.982 0.030 . 2 . . . . 56 MET HB2 . 11320 1 670 . 1 1 56 56 MET HB3 H 1 2.251 0.030 . 2 . . . . 56 MET HB3 . 11320 1 671 . 1 1 56 56 MET HE1 H 1 2.067 0.030 . 1 . . . . 56 MET HE . 11320 1 672 . 1 1 56 56 MET HE2 H 1 2.067 0.030 . 1 . . . . 56 MET HE . 11320 1 673 . 1 1 56 56 MET HE3 H 1 2.067 0.030 . 1 . . . . 56 MET HE . 11320 1 674 . 1 1 56 56 MET HG2 H 1 2.106 0.030 . 2 . . . . 56 MET HG2 . 11320 1 675 . 1 1 56 56 MET HG3 H 1 2.045 0.030 . 2 . . . . 56 MET HG3 . 11320 1 676 . 1 1 56 56 MET C C 13 177.740 0.300 . 1 . . . . 56 MET C . 11320 1 677 . 1 1 56 56 MET CA C 13 60.714 0.300 . 1 . . . . 56 MET CA . 11320 1 678 . 1 1 56 56 MET CB C 13 32.267 0.300 . 1 . . . . 56 MET CB . 11320 1 679 . 1 1 56 56 MET CE C 13 18.979 0.300 . 1 . . . . 56 MET CE . 11320 1 680 . 1 1 56 56 MET CG C 13 32.923 0.300 . 1 . . . . 56 MET CG . 11320 1 681 . 1 1 56 56 MET N N 15 120.647 0.300 . 1 . . . . 56 MET N . 11320 1 682 . 1 1 57 57 TYR H H 1 8.134 0.030 . 1 . . . . 57 TYR H . 11320 1 683 . 1 1 57 57 TYR HA H 1 4.206 0.030 . 1 . . . . 57 TYR HA . 11320 1 684 . 1 1 57 57 TYR HB2 H 1 3.178 0.030 . 1 . . . . 57 TYR HB2 . 11320 1 685 . 1 1 57 57 TYR HB3 H 1 3.178 0.030 . 1 . . . . 57 TYR HB3 . 11320 1 686 . 1 1 57 57 TYR HD1 H 1 6.951 0.030 . 1 . . . . 57 TYR HD1 . 11320 1 687 . 1 1 57 57 TYR HD2 H 1 6.951 0.030 . 1 . . . . 57 TYR HD2 . 11320 1 688 . 1 1 57 57 TYR HE1 H 1 6.801 0.030 . 1 . . . . 57 TYR HE1 . 11320 1 689 . 1 1 57 57 TYR HE2 H 1 6.801 0.030 . 1 . . . . 57 TYR HE2 . 11320 1 690 . 1 1 57 57 TYR C C 13 178.351 0.300 . 1 . . . . 57 TYR C . 11320 1 691 . 1 1 57 57 TYR CA C 13 57.816 0.300 . 1 . . . . 57 TYR CA . 11320 1 692 . 1 1 57 57 TYR CB C 13 35.918 0.300 . 1 . . . . 57 TYR CB . 11320 1 693 . 1 1 57 57 TYR CD1 C 13 130.620 0.300 . 1 . . . . 57 TYR CD1 . 11320 1 694 . 1 1 57 57 TYR CD2 C 13 130.620 0.300 . 1 . . . . 57 TYR CD2 . 11320 1 695 . 1 1 57 57 TYR CE1 C 13 118.186 0.300 . 1 . . . . 57 TYR CE1 . 11320 1 696 . 1 1 57 57 TYR CE2 C 13 118.186 0.300 . 1 . . . . 57 TYR CE2 . 11320 1 697 . 1 1 57 57 TYR N N 15 115.413 0.300 . 1 . . . . 57 TYR N . 11320 1 698 . 1 1 58 58 LYS H H 1 7.718 0.030 . 1 . . . . 58 LYS H . 11320 1 699 . 1 1 58 58 LYS HA H 1 4.053 0.030 . 1 . . . . 58 LYS HA . 11320 1 700 . 1 1 58 58 LYS HB2 H 1 1.634 0.030 . 2 . . . . 58 LYS HB2 . 11320 1 701 . 1 1 58 58 LYS HB3 H 1 1.594 0.030 . 2 . . . . 58 LYS HB3 . 11320 1 702 . 1 1 58 58 LYS HD2 H 1 1.542 0.030 . 1 . . . . 58 LYS HD2 . 11320 1 703 . 1 1 58 58 LYS HD3 H 1 1.542 0.030 . 1 . . . . 58 LYS HD3 . 11320 1 704 . 1 1 58 58 LYS HE2 H 1 2.911 0.030 . 1 . . . . 58 LYS HE2 . 11320 1 705 . 1 1 58 58 LYS HE3 H 1 2.911 0.030 . 1 . . . . 58 LYS HE3 . 11320 1 706 . 1 1 58 58 LYS HG2 H 1 1.410 0.030 . 2 . . . . 58 LYS HG2 . 11320 1 707 . 1 1 58 58 LYS HG3 H 1 1.317 0.030 . 2 . . . . 58 LYS HG3 . 11320 1 708 . 1 1 58 58 LYS C C 13 177.477 0.300 . 1 . . . . 58 LYS C . 11320 1 709 . 1 1 58 58 LYS CA C 13 57.745 0.300 . 1 . . . . 58 LYS CA . 11320 1 710 . 1 1 58 58 LYS CB C 13 32.923 0.300 . 1 . . . . 58 LYS CB . 11320 1 711 . 1 1 58 58 LYS CD C 13 29.126 0.300 . 1 . . . . 58 LYS CD . 11320 1 712 . 1 1 58 58 LYS CE C 13 42.169 0.300 . 1 . . . . 58 LYS CE . 11320 1 713 . 1 1 58 58 LYS CG C 13 25.158 0.300 . 1 . . . . 58 LYS CG . 11320 1 714 . 1 1 58 58 LYS N N 15 115.478 0.300 . 1 . . . . 58 LYS N . 11320 1 715 . 1 1 59 59 ASN H H 1 7.306 0.030 . 1 . . . . 59 ASN H . 11320 1 716 . 1 1 59 59 ASN HA H 1 4.290 0.030 . 1 . . . . 59 ASN HA . 11320 1 717 . 1 1 59 59 ASN HB2 H 1 2.211 0.030 . 2 . . . . 59 ASN HB2 . 11320 1 718 . 1 1 59 59 ASN HB3 H 1 1.204 0.030 . 2 . . . . 59 ASN HB3 . 11320 1 719 . 1 1 59 59 ASN HD21 H 1 6.118 0.030 . 2 . . . . 59 ASN HD21 . 11320 1 720 . 1 1 59 59 ASN HD22 H 1 6.056 0.030 . 2 . . . . 59 ASN HD22 . 11320 1 721 . 1 1 59 59 ASN C C 13 174.024 0.300 . 1 . . . . 59 ASN C . 11320 1 722 . 1 1 59 59 ASN CA C 13 54.429 0.300 . 1 . . . . 59 ASN CA . 11320 1 723 . 1 1 59 59 ASN CB C 13 39.950 0.300 . 1 . . . . 59 ASN CB . 11320 1 724 . 1 1 59 59 ASN N N 15 115.500 0.300 . 1 . . . . 59 ASN N . 11320 1 725 . 1 1 59 59 ASN ND2 N 15 114.988 0.300 . 1 . . . . 59 ASN ND2 . 11320 1 726 . 1 1 60 60 VAL H H 1 6.969 0.030 . 1 . . . . 60 VAL H . 11320 1 727 . 1 1 60 60 VAL HA H 1 3.540 0.030 . 1 . . . . 60 VAL HA . 11320 1 728 . 1 1 60 60 VAL HB H 1 1.647 0.030 . 1 . . . . 60 VAL HB . 11320 1 729 . 1 1 60 60 VAL HG11 H 1 0.636 0.030 . 1 . . . . 60 VAL HG1 . 11320 1 730 . 1 1 60 60 VAL HG12 H 1 0.636 0.030 . 1 . . . . 60 VAL HG1 . 11320 1 731 . 1 1 60 60 VAL HG13 H 1 0.636 0.030 . 1 . . . . 60 VAL HG1 . 11320 1 732 . 1 1 60 60 VAL HG21 H 1 0.968 0.030 . 1 . . . . 60 VAL HG2 . 11320 1 733 . 1 1 60 60 VAL HG22 H 1 0.968 0.030 . 1 . . . . 60 VAL HG2 . 11320 1 734 . 1 1 60 60 VAL HG23 H 1 0.968 0.030 . 1 . . . . 60 VAL HG2 . 11320 1 735 . 1 1 60 60 VAL C C 13 173.347 0.300 . 1 . . . . 60 VAL C . 11320 1 736 . 1 1 60 60 VAL CA C 13 60.527 0.300 . 1 . . . . 60 VAL CA . 11320 1 737 . 1 1 60 60 VAL CB C 13 32.914 0.300 . 1 . . . . 60 VAL CB . 11320 1 738 . 1 1 60 60 VAL CG1 C 13 20.598 0.300 . 2 . . . . 60 VAL CG1 . 11320 1 739 . 1 1 60 60 VAL CG2 C 13 21.805 0.300 . 2 . . . . 60 VAL CG2 . 11320 1 740 . 1 1 60 60 VAL N N 15 123.482 0.300 . 1 . . . . 60 VAL N . 11320 1 741 . 1 1 61 61 PRO HA H 1 4.474 0.030 . 1 . . . . 61 PRO HA . 11320 1 742 . 1 1 61 61 PRO HB2 H 1 1.878 0.030 . 2 . . . . 61 PRO HB2 . 11320 1 743 . 1 1 61 61 PRO HB3 H 1 2.263 0.030 . 2 . . . . 61 PRO HB3 . 11320 1 744 . 1 1 61 61 PRO HD2 H 1 2.323 0.030 . 2 . . . . 61 PRO HD2 . 11320 1 745 . 1 1 61 61 PRO HD3 H 1 2.786 0.030 . 2 . . . . 61 PRO HD3 . 11320 1 746 . 1 1 61 61 PRO HG2 H 1 1.700 0.030 . 2 . . . . 61 PRO HG2 . 11320 1 747 . 1 1 61 61 PRO HG3 H 1 1.875 0.030 . 2 . . . . 61 PRO HG3 . 11320 1 748 . 1 1 61 61 PRO CA C 13 61.824 0.300 . 1 . . . . 61 PRO CA . 11320 1 749 . 1 1 61 61 PRO CB C 13 31.024 0.300 . 1 . . . . 61 PRO CB . 11320 1 750 . 1 1 61 61 PRO CD C 13 50.446 0.300 . 1 . . . . 61 PRO CD . 11320 1 751 . 1 1 61 61 PRO CG C 13 27.495 0.300 . 1 . . . . 61 PRO CG . 11320 1 752 . 1 1 62 62 PRO HA H 1 3.973 0.030 . 1 . . . . 62 PRO HA . 11320 1 753 . 1 1 62 62 PRO HB2 H 1 1.925 0.030 . 2 . . . . 62 PRO HB2 . 11320 1 754 . 1 1 62 62 PRO HB3 H 1 2.326 0.030 . 2 . . . . 62 PRO HB3 . 11320 1 755 . 1 1 62 62 PRO HD2 H 1 3.719 0.030 . 1 . . . . 62 PRO HD2 . 11320 1 756 . 1 1 62 62 PRO HD3 H 1 3.719 0.030 . 1 . . . . 62 PRO HD3 . 11320 1 757 . 1 1 62 62 PRO HG2 H 1 2.127 0.030 . 2 . . . . 62 PRO HG2 . 11320 1 758 . 1 1 62 62 PRO HG3 H 1 2.014 0.030 . 2 . . . . 62 PRO HG3 . 11320 1 759 . 1 1 62 62 PRO C C 13 178.887 0.300 . 1 . . . . 62 PRO C . 11320 1 760 . 1 1 62 62 PRO CA C 13 65.600 0.300 . 1 . . . . 62 PRO CA . 11320 1 761 . 1 1 62 62 PRO CB C 13 31.860 0.300 . 1 . . . . 62 PRO CB . 11320 1 762 . 1 1 62 62 PRO CD C 13 50.368 0.300 . 1 . . . . 62 PRO CD . 11320 1 763 . 1 1 62 62 PRO CG C 13 27.723 0.300 . 1 . . . . 62 PRO CG . 11320 1 764 . 1 1 63 63 GLU H H 1 9.480 0.030 . 1 . . . . 63 GLU H . 11320 1 765 . 1 1 63 63 GLU HA H 1 4.197 0.030 . 1 . . . . 63 GLU HA . 11320 1 766 . 1 1 63 63 GLU HB2 H 1 2.032 0.030 . 2 . . . . 63 GLU HB2 . 11320 1 767 . 1 1 63 63 GLU HB3 H 1 2.057 0.030 . 2 . . . . 63 GLU HB3 . 11320 1 768 . 1 1 63 63 GLU HG2 H 1 2.219 0.030 . 2 . . . . 63 GLU HG2 . 11320 1 769 . 1 1 63 63 GLU HG3 H 1 2.346 0.030 . 2 . . . . 63 GLU HG3 . 11320 1 770 . 1 1 63 63 GLU C C 13 177.182 0.300 . 1 . . . . 63 GLU C . 11320 1 771 . 1 1 63 63 GLU CA C 13 58.744 0.300 . 1 . . . . 63 GLU CA . 11320 1 772 . 1 1 63 63 GLU CB C 13 28.282 0.300 . 1 . . . . 63 GLU CB . 11320 1 773 . 1 1 63 63 GLU CG C 13 36.298 0.300 . 1 . . . . 63 GLU CG . 11320 1 774 . 1 1 63 63 GLU N N 15 116.092 0.300 . 1 . . . . 63 GLU N . 11320 1 775 . 1 1 64 64 LYS H H 1 7.945 0.030 . 1 . . . . 64 LYS H . 11320 1 776 . 1 1 64 64 LYS HA H 1 4.481 0.030 . 1 . . . . 64 LYS HA . 11320 1 777 . 1 1 64 64 LYS HB2 H 1 2.089 0.030 . 2 . . . . 64 LYS HB2 . 11320 1 778 . 1 1 64 64 LYS HB3 H 1 1.503 0.030 . 2 . . . . 64 LYS HB3 . 11320 1 779 . 1 1 64 64 LYS HD2 H 1 1.802 0.030 . 2 . . . . 64 LYS HD2 . 11320 1 780 . 1 1 64 64 LYS HD3 H 1 1.726 0.030 . 2 . . . . 64 LYS HD3 . 11320 1 781 . 1 1 64 64 LYS HE2 H 1 3.094 0.030 . 2 . . . . 64 LYS HE2 . 11320 1 782 . 1 1 64 64 LYS HE3 H 1 3.038 0.030 . 2 . . . . 64 LYS HE3 . 11320 1 783 . 1 1 64 64 LYS HG2 H 1 1.250 0.030 . 2 . . . . 64 LYS HG2 . 11320 1 784 . 1 1 64 64 LYS HG3 H 1 1.782 0.030 . 2 . . . . 64 LYS HG3 . 11320 1 785 . 1 1 64 64 LYS C C 13 175.681 0.300 . 1 . . . . 64 LYS C . 11320 1 786 . 1 1 64 64 LYS CA C 13 53.745 0.300 . 1 . . . . 64 LYS CA . 11320 1 787 . 1 1 64 64 LYS CB C 13 32.872 0.300 . 1 . . . . 64 LYS CB . 11320 1 788 . 1 1 64 64 LYS CD C 13 28.414 0.300 . 1 . . . . 64 LYS CD . 11320 1 789 . 1 1 64 64 LYS CE C 13 42.324 0.300 . 1 . . . . 64 LYS CE . 11320 1 790 . 1 1 64 64 LYS CG C 13 24.512 0.300 . 1 . . . . 64 LYS CG . 11320 1 791 . 1 1 64 64 LYS N N 15 118.659 0.300 . 1 . . . . 64 LYS N . 11320 1 792 . 1 1 65 65 LYS H H 1 7.339 0.030 . 1 . . . . 65 LYS H . 11320 1 793 . 1 1 65 65 LYS HA H 1 4.343 0.030 . 1 . . . . 65 LYS HA . 11320 1 794 . 1 1 65 65 LYS HB2 H 1 1.751 0.030 . 1 . . . . 65 LYS HB2 . 11320 1 795 . 1 1 65 65 LYS HB3 H 1 1.751 0.030 . 1 . . . . 65 LYS HB3 . 11320 1 796 . 1 1 65 65 LYS HD2 H 1 1.604 0.030 . 1 . . . . 65 LYS HD2 . 11320 1 797 . 1 1 65 65 LYS HD3 H 1 1.604 0.030 . 1 . . . . 65 LYS HD3 . 11320 1 798 . 1 1 65 65 LYS HE2 H 1 2.985 0.030 . 2 . . . . 65 LYS HE2 . 11320 1 799 . 1 1 65 65 LYS HE3 H 1 2.816 0.030 . 2 . . . . 65 LYS HE3 . 11320 1 800 . 1 1 65 65 LYS HG2 H 1 1.090 0.030 . 2 . . . . 65 LYS HG2 . 11320 1 801 . 1 1 65 65 LYS HG3 H 1 1.505 0.030 . 2 . . . . 65 LYS HG3 . 11320 1 802 . 1 1 65 65 LYS C C 13 173.956 0.300 . 1 . . . . 65 LYS C . 11320 1 803 . 1 1 65 65 LYS CA C 13 54.819 0.300 . 1 . . . . 65 LYS CA . 11320 1 804 . 1 1 65 65 LYS CB C 13 32.550 0.300 . 1 . . . . 65 LYS CB . 11320 1 805 . 1 1 65 65 LYS CD C 13 29.343 0.300 . 1 . . . . 65 LYS CD . 11320 1 806 . 1 1 65 65 LYS CE C 13 42.392 0.300 . 1 . . . . 65 LYS CE . 11320 1 807 . 1 1 65 65 LYS CG C 13 25.892 0.300 . 1 . . . . 65 LYS CG . 11320 1 808 . 1 1 65 65 LYS N N 15 121.658 0.300 . 1 . . . . 65 LYS N . 11320 1 809 . 1 1 66 66 PRO HA H 1 4.552 0.030 . 1 . . . . 66 PRO HA . 11320 1 810 . 1 1 66 66 PRO HB2 H 1 2.262 0.030 . 2 . . . . 66 PRO HB2 . 11320 1 811 . 1 1 66 66 PRO HB3 H 1 1.930 0.030 . 2 . . . . 66 PRO HB3 . 11320 1 812 . 1 1 66 66 PRO HD2 H 1 3.292 0.030 . 2 . . . . 66 PRO HD2 . 11320 1 813 . 1 1 66 66 PRO HD3 H 1 3.711 0.030 . 2 . . . . 66 PRO HD3 . 11320 1 814 . 1 1 66 66 PRO HG2 H 1 1.659 0.030 . 2 . . . . 66 PRO HG2 . 11320 1 815 . 1 1 66 66 PRO HG3 H 1 1.847 0.030 . 2 . . . . 66 PRO HG3 . 11320 1 816 . 1 1 66 66 PRO C C 13 176.761 0.300 . 1 . . . . 66 PRO C . 11320 1 817 . 1 1 66 66 PRO CA C 13 62.216 0.300 . 1 . . . . 66 PRO CA . 11320 1 818 . 1 1 66 66 PRO CB C 13 32.256 0.300 . 1 . . . . 66 PRO CB . 11320 1 819 . 1 1 66 66 PRO CD C 13 50.026 0.300 . 1 . . . . 66 PRO CD . 11320 1 820 . 1 1 66 66 PRO CG C 13 27.227 0.300 . 1 . . . . 66 PRO CG . 11320 1 821 . 1 1 67 67 THR H H 1 8.488 0.030 . 1 . . . . 67 THR H . 11320 1 822 . 1 1 67 67 THR HA H 1 3.933 0.030 . 1 . . . . 67 THR HA . 11320 1 823 . 1 1 67 67 THR HB H 1 4.145 0.030 . 1 . . . . 67 THR HB . 11320 1 824 . 1 1 67 67 THR HG21 H 1 1.243 0.030 . 1 . . . . 67 THR HG2 . 11320 1 825 . 1 1 67 67 THR HG22 H 1 1.243 0.030 . 1 . . . . 67 THR HG2 . 11320 1 826 . 1 1 67 67 THR HG23 H 1 1.243 0.030 . 1 . . . . 67 THR HG2 . 11320 1 827 . 1 1 67 67 THR C C 13 174.922 0.300 . 1 . . . . 67 THR C . 11320 1 828 . 1 1 67 67 THR CA C 13 64.582 0.300 . 1 . . . . 67 THR CA . 11320 1 829 . 1 1 67 67 THR CB C 13 68.922 0.300 . 1 . . . . 67 THR CB . 11320 1 830 . 1 1 67 67 THR CG2 C 13 22.303 0.300 . 1 . . . . 67 THR CG2 . 11320 1 831 . 1 1 67 67 THR N N 15 114.293 0.300 . 1 . . . . 67 THR N . 11320 1 832 . 1 1 68 68 GLN H H 1 7.735 0.030 . 1 . . . . 68 GLN H . 11320 1 833 . 1 1 68 68 GLN HA H 1 4.439 0.030 . 1 . . . . 68 GLN HA . 11320 1 834 . 1 1 68 68 GLN HB2 H 1 2.031 0.030 . 2 . . . . 68 GLN HB2 . 11320 1 835 . 1 1 68 68 GLN HB3 H 1 1.880 0.030 . 2 . . . . 68 GLN HB3 . 11320 1 836 . 1 1 68 68 GLN HE21 H 1 7.489 0.030 . 2 . . . . 68 GLN HE21 . 11320 1 837 . 1 1 68 68 GLN HE22 H 1 6.816 0.030 . 2 . . . . 68 GLN HE22 . 11320 1 838 . 1 1 68 68 GLN HG2 H 1 2.268 0.030 . 1 . . . . 68 GLN HG2 . 11320 1 839 . 1 1 68 68 GLN HG3 H 1 2.268 0.030 . 1 . . . . 68 GLN HG3 . 11320 1 840 . 1 1 68 68 GLN C C 13 175.297 0.300 . 1 . . . . 68 GLN C . 11320 1 841 . 1 1 68 68 GLN CA C 13 55.042 0.300 . 1 . . . . 68 GLN CA . 11320 1 842 . 1 1 68 68 GLN CB C 13 30.443 0.300 . 1 . . . . 68 GLN CB . 11320 1 843 . 1 1 68 68 GLN CG C 13 33.556 0.300 . 1 . . . . 68 GLN CG . 11320 1 844 . 1 1 68 68 GLN N N 15 117.671 0.300 . 1 . . . . 68 GLN N . 11320 1 845 . 1 1 68 68 GLN NE2 N 15 112.134 0.300 . 1 . . . . 68 GLN NE2 . 11320 1 846 . 1 1 69 69 GLY H H 1 8.257 0.030 . 1 . . . . 69 GLY H . 11320 1 847 . 1 1 69 69 GLY HA2 H 1 3.981 0.030 . 2 . . . . 69 GLY HA2 . 11320 1 848 . 1 1 69 69 GLY HA3 H 1 3.741 0.030 . 2 . . . . 69 GLY HA3 . 11320 1 849 . 1 1 69 69 GLY C C 13 172.479 0.300 . 1 . . . . 69 GLY C . 11320 1 850 . 1 1 69 69 GLY CA C 13 44.535 0.300 . 1 . . . . 69 GLY CA . 11320 1 851 . 1 1 69 69 GLY N N 15 109.473 0.300 . 1 . . . . 69 GLY N . 11320 1 852 . 1 1 70 70 ASN H H 1 8.229 0.030 . 1 . . . . 70 ASN H . 11320 1 853 . 1 1 70 70 ASN HA H 1 4.774 0.030 . 1 . . . . 70 ASN HA . 11320 1 854 . 1 1 70 70 ASN HB2 H 1 1.760 0.030 . 2 . . . . 70 ASN HB2 . 11320 1 855 . 1 1 70 70 ASN HB3 H 1 2.158 0.030 . 2 . . . . 70 ASN HB3 . 11320 1 856 . 1 1 70 70 ASN HD21 H 1 6.943 0.030 . 2 . . . . 70 ASN HD21 . 11320 1 857 . 1 1 70 70 ASN HD22 H 1 7.413 0.030 . 2 . . . . 70 ASN HD22 . 11320 1 858 . 1 1 70 70 ASN C C 13 172.754 0.300 . 1 . . . . 70 ASN C . 11320 1 859 . 1 1 70 70 ASN CA C 13 51.093 0.300 . 1 . . . . 70 ASN CA . 11320 1 860 . 1 1 70 70 ASN CB C 13 38.619 0.300 . 1 . . . . 70 ASN CB . 11320 1 861 . 1 1 70 70 ASN N N 15 117.231 0.300 . 1 . . . . 70 ASN N . 11320 1 862 . 1 1 70 70 ASN ND2 N 15 115.159 0.300 . 1 . . . . 70 ASN ND2 . 11320 1 863 . 1 1 71 71 PRO HA H 1 4.408 0.030 . 1 . . . . 71 PRO HA . 11320 1 864 . 1 1 71 71 PRO HB2 H 1 1.933 0.030 . 2 . . . . 71 PRO HB2 . 11320 1 865 . 1 1 71 71 PRO HB3 H 1 2.231 0.030 . 2 . . . . 71 PRO HB3 . 11320 1 866 . 1 1 71 71 PRO HD2 H 1 3.219 0.030 . 2 . . . . 71 PRO HD2 . 11320 1 867 . 1 1 71 71 PRO HD3 H 1 3.591 0.030 . 2 . . . . 71 PRO HD3 . 11320 1 868 . 1 1 71 71 PRO HG2 H 1 1.868 0.030 . 2 . . . . 71 PRO HG2 . 11320 1 869 . 1 1 71 71 PRO HG3 H 1 2.138 0.030 . 2 . . . . 71 PRO HG3 . 11320 1 870 . 1 1 71 71 PRO C C 13 174.751 0.300 . 1 . . . . 71 PRO C . 11320 1 871 . 1 1 71 71 PRO CA C 13 62.779 0.300 . 1 . . . . 71 PRO CA . 11320 1 872 . 1 1 71 71 PRO CB C 13 32.079 0.300 . 1 . . . . 71 PRO CB . 11320 1 873 . 1 1 71 71 PRO CD C 13 49.629 0.300 . 1 . . . . 71 PRO CD . 11320 1 874 . 1 1 71 71 PRO CG C 13 28.071 0.300 . 1 . . . . 71 PRO CG . 11320 1 875 . 1 1 72 72 LEU H H 1 9.052 0.030 . 1 . . . . 72 LEU H . 11320 1 876 . 1 1 72 72 LEU HA H 1 4.844 0.030 . 1 . . . . 72 LEU HA . 11320 1 877 . 1 1 72 72 LEU HB2 H 1 1.779 0.030 . 2 . . . . 72 LEU HB2 . 11320 1 878 . 1 1 72 72 LEU HB3 H 1 1.543 0.030 . 2 . . . . 72 LEU HB3 . 11320 1 879 . 1 1 72 72 LEU HD11 H 1 0.920 0.030 . 1 . . . . 72 LEU HD1 . 11320 1 880 . 1 1 72 72 LEU HD12 H 1 0.920 0.030 . 1 . . . . 72 LEU HD1 . 11320 1 881 . 1 1 72 72 LEU HD13 H 1 0.920 0.030 . 1 . . . . 72 LEU HD1 . 11320 1 882 . 1 1 72 72 LEU HD21 H 1 0.910 0.030 . 1 . . . . 72 LEU HD2 . 11320 1 883 . 1 1 72 72 LEU HD22 H 1 0.910 0.030 . 1 . . . . 72 LEU HD2 . 11320 1 884 . 1 1 72 72 LEU HD23 H 1 0.910 0.030 . 1 . . . . 72 LEU HD2 . 11320 1 885 . 1 1 72 72 LEU HG H 1 1.811 0.030 . 1 . . . . 72 LEU HG . 11320 1 886 . 1 1 72 72 LEU C C 13 175.396 0.300 . 1 . . . . 72 LEU C . 11320 1 887 . 1 1 72 72 LEU CA C 13 51.909 0.300 . 1 . . . . 72 LEU CA . 11320 1 888 . 1 1 72 72 LEU CB C 13 42.634 0.300 . 1 . . . . 72 LEU CB . 11320 1 889 . 1 1 72 72 LEU CD1 C 13 25.552 0.300 . 2 . . . . 72 LEU CD1 . 11320 1 890 . 1 1 72 72 LEU CD2 C 13 23.197 0.300 . 2 . . . . 72 LEU CD2 . 11320 1 891 . 1 1 72 72 LEU CG C 13 26.962 0.300 . 1 . . . . 72 LEU CG . 11320 1 892 . 1 1 72 72 LEU N N 15 122.911 0.300 . 1 . . . . 72 LEU N . 11320 1 893 . 1 1 73 73 PRO HA H 1 4.630 0.030 . 1 . . . . 73 PRO HA . 11320 1 894 . 1 1 73 73 PRO HB2 H 1 2.369 0.030 . 2 . . . . 73 PRO HB2 . 11320 1 895 . 1 1 73 73 PRO HB3 H 1 2.645 0.030 . 2 . . . . 73 PRO HB3 . 11320 1 896 . 1 1 73 73 PRO HD2 H 1 3.860 0.030 . 2 . . . . 73 PRO HD2 . 11320 1 897 . 1 1 73 73 PRO HD3 H 1 3.744 0.030 . 2 . . . . 73 PRO HD3 . 11320 1 898 . 1 1 73 73 PRO HG2 H 1 2.237 0.030 . 2 . . . . 73 PRO HG2 . 11320 1 899 . 1 1 73 73 PRO HG3 H 1 1.962 0.030 . 2 . . . . 73 PRO HG3 . 11320 1 900 . 1 1 73 73 PRO CA C 13 61.617 0.300 . 1 . . . . 73 PRO CA . 11320 1 901 . 1 1 73 73 PRO CB C 13 31.557 0.300 . 1 . . . . 73 PRO CB . 11320 1 902 . 1 1 73 73 PRO CD C 13 50.221 0.300 . 1 . . . . 73 PRO CD . 11320 1 903 . 1 1 73 73 PRO CG C 13 27.673 0.300 . 1 . . . . 73 PRO CG . 11320 1 904 . 1 1 74 74 PRO HA H 1 5.701 0.030 . 1 . . . . 74 PRO HA . 11320 1 905 . 1 1 74 74 PRO HB2 H 1 2.171 0.030 . 2 . . . . 74 PRO HB2 . 11320 1 906 . 1 1 74 74 PRO HB3 H 1 1.820 0.030 . 2 . . . . 74 PRO HB3 . 11320 1 907 . 1 1 74 74 PRO HD2 H 1 4.133 0.030 . 2 . . . . 74 PRO HD2 . 11320 1 908 . 1 1 74 74 PRO HD3 H 1 3.336 0.030 . 2 . . . . 74 PRO HD3 . 11320 1 909 . 1 1 74 74 PRO HG2 H 1 1.823 0.030 . 2 . . . . 74 PRO HG2 . 11320 1 910 . 1 1 74 74 PRO HG3 H 1 2.123 0.030 . 2 . . . . 74 PRO HG3 . 11320 1 911 . 1 1 74 74 PRO C C 13 176.379 0.300 . 1 . . . . 74 PRO C . 11320 1 912 . 1 1 74 74 PRO CA C 13 60.891 0.300 . 1 . . . . 74 PRO CA . 11320 1 913 . 1 1 74 74 PRO CB C 13 35.033 0.300 . 1 . . . . 74 PRO CB . 11320 1 914 . 1 1 74 74 PRO CD C 13 49.850 0.300 . 1 . . . . 74 PRO CD . 11320 1 915 . 1 1 74 74 PRO CG C 13 24.668 0.300 . 1 . . . . 74 PRO CG . 11320 1 916 . 1 1 75 75 GLN H H 1 8.089 0.030 . 1 . . . . 75 GLN H . 11320 1 917 . 1 1 75 75 GLN HA H 1 5.016 0.030 . 1 . . . . 75 GLN HA . 11320 1 918 . 1 1 75 75 GLN HB2 H 1 1.930 0.030 . 2 . . . . 75 GLN HB2 . 11320 1 919 . 1 1 75 75 GLN HB3 H 1 2.528 0.030 . 2 . . . . 75 GLN HB3 . 11320 1 920 . 1 1 75 75 GLN HE21 H 1 7.713 0.030 . 2 . . . . 75 GLN HE21 . 11320 1 921 . 1 1 75 75 GLN HE22 H 1 7.872 0.030 . 2 . . . . 75 GLN HE22 . 11320 1 922 . 1 1 75 75 GLN HG2 H 1 2.477 0.030 . 2 . . . . 75 GLN HG2 . 11320 1 923 . 1 1 75 75 GLN HG3 H 1 2.522 0.030 . 2 . . . . 75 GLN HG3 . 11320 1 924 . 1 1 75 75 GLN C C 13 174.962 0.300 . 1 . . . . 75 GLN C . 11320 1 925 . 1 1 75 75 GLN CA C 13 54.739 0.300 . 1 . . . . 75 GLN CA . 11320 1 926 . 1 1 75 75 GLN CB C 13 31.446 0.300 . 1 . . . . 75 GLN CB . 11320 1 927 . 1 1 75 75 GLN CG C 13 32.292 0.300 . 1 . . . . 75 GLN CG . 11320 1 928 . 1 1 75 75 GLN N N 15 118.128 0.300 . 1 . . . . 75 GLN N . 11320 1 929 . 1 1 75 75 GLN NE2 N 15 109.695 0.300 . 1 . . . . 75 GLN NE2 . 11320 1 930 . 1 1 76 76 ILE H H 1 8.866 0.030 . 1 . . . . 76 ILE H . 11320 1 931 . 1 1 76 76 ILE HA H 1 5.019 0.030 . 1 . . . . 76 ILE HA . 11320 1 932 . 1 1 76 76 ILE HB H 1 1.571 0.030 . 1 . . . . 76 ILE HB . 11320 1 933 . 1 1 76 76 ILE HD11 H 1 0.737 0.030 . 1 . . . . 76 ILE HD1 . 11320 1 934 . 1 1 76 76 ILE HD12 H 1 0.737 0.030 . 1 . . . . 76 ILE HD1 . 11320 1 935 . 1 1 76 76 ILE HD13 H 1 0.737 0.030 . 1 . . . . 76 ILE HD1 . 11320 1 936 . 1 1 76 76 ILE HG12 H 1 0.816 0.030 . 2 . . . . 76 ILE HG12 . 11320 1 937 . 1 1 76 76 ILE HG13 H 1 1.513 0.030 . 2 . . . . 76 ILE HG13 . 11320 1 938 . 1 1 76 76 ILE HG21 H 1 0.721 0.030 . 1 . . . . 76 ILE HG2 . 11320 1 939 . 1 1 76 76 ILE HG22 H 1 0.721 0.030 . 1 . . . . 76 ILE HG2 . 11320 1 940 . 1 1 76 76 ILE HG23 H 1 0.721 0.030 . 1 . . . . 76 ILE HG2 . 11320 1 941 . 1 1 76 76 ILE C C 13 173.637 0.300 . 1 . . . . 76 ILE C . 11320 1 942 . 1 1 76 76 ILE CA C 13 62.277 0.300 . 1 . . . . 76 ILE CA . 11320 1 943 . 1 1 76 76 ILE CB C 13 40.556 0.300 . 1 . . . . 76 ILE CB . 11320 1 944 . 1 1 76 76 ILE CD1 C 13 15.171 0.300 . 1 . . . . 76 ILE CD1 . 11320 1 945 . 1 1 76 76 ILE CG1 C 13 28.968 0.300 . 1 . . . . 76 ILE CG1 . 11320 1 946 . 1 1 76 76 ILE CG2 C 13 18.966 0.300 . 1 . . . . 76 ILE CG2 . 11320 1 947 . 1 1 76 76 ILE N N 15 123.413 0.300 . 1 . . . . 76 ILE N . 11320 1 948 . 1 1 77 77 PHE H H 1 9.522 0.030 . 1 . . . . 77 PHE H . 11320 1 949 . 1 1 77 77 PHE HA H 1 5.176 0.030 . 1 . . . . 77 PHE HA . 11320 1 950 . 1 1 77 77 PHE HB2 H 1 3.293 0.030 . 2 . . . . 77 PHE HB2 . 11320 1 951 . 1 1 77 77 PHE HB3 H 1 3.185 0.030 . 2 . . . . 77 PHE HB3 . 11320 1 952 . 1 1 77 77 PHE HD1 H 1 7.371 0.030 . 1 . . . . 77 PHE HD1 . 11320 1 953 . 1 1 77 77 PHE HD2 H 1 7.371 0.030 . 1 . . . . 77 PHE HD2 . 11320 1 954 . 1 1 77 77 PHE HE1 H 1 6.993 0.030 . 1 . . . . 77 PHE HE1 . 11320 1 955 . 1 1 77 77 PHE HE2 H 1 6.993 0.030 . 1 . . . . 77 PHE HE2 . 11320 1 956 . 1 1 77 77 PHE HZ H 1 6.794 0.030 . 1 . . . . 77 PHE HZ . 11320 1 957 . 1 1 77 77 PHE C C 13 174.055 0.300 . 1 . . . . 77 PHE C . 11320 1 958 . 1 1 77 77 PHE CA C 13 56.972 0.300 . 1 . . . . 77 PHE CA . 11320 1 959 . 1 1 77 77 PHE CB C 13 43.893 0.300 . 1 . . . . 77 PHE CB . 11320 1 960 . 1 1 77 77 PHE CD1 C 13 133.098 0.300 . 1 . . . . 77 PHE CD1 . 11320 1 961 . 1 1 77 77 PHE CD2 C 13 133.098 0.300 . 1 . . . . 77 PHE CD2 . 11320 1 962 . 1 1 77 77 PHE CE1 C 13 131.228 0.300 . 1 . . . . 77 PHE CE1 . 11320 1 963 . 1 1 77 77 PHE CE2 C 13 131.228 0.300 . 1 . . . . 77 PHE CE2 . 11320 1 964 . 1 1 77 77 PHE CZ C 13 129.565 0.300 . 1 . . . . 77 PHE CZ . 11320 1 965 . 1 1 77 77 PHE N N 15 127.503 0.300 . 1 . . . . 77 PHE N . 11320 1 966 . 1 1 78 78 ASN H H 1 9.470 0.030 . 1 . . . . 78 ASN H . 11320 1 967 . 1 1 78 78 ASN HA H 1 5.002 0.030 . 1 . . . . 78 ASN HA . 11320 1 968 . 1 1 78 78 ASN HB2 H 1 2.423 0.030 . 2 . . . . 78 ASN HB2 . 11320 1 969 . 1 1 78 78 ASN HB3 H 1 2.819 0.030 . 2 . . . . 78 ASN HB3 . 11320 1 970 . 1 1 78 78 ASN HD21 H 1 6.392 0.030 . 2 . . . . 78 ASN HD21 . 11320 1 971 . 1 1 78 78 ASN HD22 H 1 8.155 0.030 . 2 . . . . 78 ASN HD22 . 11320 1 972 . 1 1 78 78 ASN C C 13 176.976 0.300 . 1 . . . . 78 ASN C . 11320 1 973 . 1 1 78 78 ASN CA C 13 52.209 0.300 . 1 . . . . 78 ASN CA . 11320 1 974 . 1 1 78 78 ASN CB C 13 37.941 0.300 . 1 . . . . 78 ASN CB . 11320 1 975 . 1 1 78 78 ASN N N 15 121.368 0.300 . 1 . . . . 78 ASN N . 11320 1 976 . 1 1 78 78 ASN ND2 N 15 109.401 0.300 . 1 . . . . 78 ASN ND2 . 11320 1 977 . 1 1 79 79 GLY H H 1 8.549 0.030 . 1 . . . . 79 GLY H . 11320 1 978 . 1 1 79 79 GLY HA2 H 1 4.145 0.030 . 2 . . . . 79 GLY HA2 . 11320 1 979 . 1 1 79 79 GLY HA3 H 1 3.745 0.030 . 2 . . . . 79 GLY HA3 . 11320 1 980 . 1 1 79 79 GLY C C 13 174.397 0.300 . 1 . . . . 79 GLY C . 11320 1 981 . 1 1 79 79 GLY CA C 13 48.241 0.300 . 1 . . . . 79 GLY CA . 11320 1 982 . 1 1 79 79 GLY N N 15 113.844 0.300 . 1 . . . . 79 GLY N . 11320 1 983 . 1 1 80 80 ASP H H 1 8.868 0.030 . 1 . . . . 80 ASP H . 11320 1 984 . 1 1 80 80 ASP HA H 1 4.919 0.030 . 1 . . . . 80 ASP HA . 11320 1 985 . 1 1 80 80 ASP HB2 H 1 2.993 0.030 . 2 . . . . 80 ASP HB2 . 11320 1 986 . 1 1 80 80 ASP HB3 H 1 2.867 0.030 . 2 . . . . 80 ASP HB3 . 11320 1 987 . 1 1 80 80 ASP C C 13 175.639 0.300 . 1 . . . . 80 ASP C . 11320 1 988 . 1 1 80 80 ASP CA C 13 54.248 0.300 . 1 . . . . 80 ASP CA . 11320 1 989 . 1 1 80 80 ASP CB C 13 41.171 0.300 . 1 . . . . 80 ASP CB . 11320 1 990 . 1 1 80 80 ASP N N 15 127.354 0.300 . 1 . . . . 80 ASP N . 11320 1 991 . 1 1 81 81 ARG H H 1 8.572 0.030 . 1 . . . . 81 ARG H . 11320 1 992 . 1 1 81 81 ARG HA H 1 4.651 0.030 . 1 . . . . 81 ARG HA . 11320 1 993 . 1 1 81 81 ARG HB2 H 1 2.145 0.030 . 2 . . . . 81 ARG HB2 . 11320 1 994 . 1 1 81 81 ARG HB3 H 1 2.038 0.030 . 2 . . . . 81 ARG HB3 . 11320 1 995 . 1 1 81 81 ARG HD2 H 1 3.310 0.030 . 2 . . . . 81 ARG HD2 . 11320 1 996 . 1 1 81 81 ARG HD3 H 1 3.231 0.030 . 2 . . . . 81 ARG HD3 . 11320 1 997 . 1 1 81 81 ARG HG2 H 1 1.655 0.030 . 2 . . . . 81 ARG HG2 . 11320 1 998 . 1 1 81 81 ARG HG3 H 1 1.815 0.030 . 2 . . . . 81 ARG HG3 . 11320 1 999 . 1 1 81 81 ARG C C 13 175.818 0.300 . 1 . . . . 81 ARG C . 11320 1 1000 . 1 1 81 81 ARG CA C 13 55.751 0.300 . 1 . . . . 81 ARG CA . 11320 1 1001 . 1 1 81 81 ARG CB C 13 31.321 0.300 . 1 . . . . 81 ARG CB . 11320 1 1002 . 1 1 81 81 ARG CD C 13 43.682 0.300 . 1 . . . . 81 ARG CD . 11320 1 1003 . 1 1 81 81 ARG CG C 13 27.242 0.300 . 1 . . . . 81 ARG CG . 11320 1 1004 . 1 1 81 81 ARG N N 15 121.866 0.300 . 1 . . . . 81 ARG N . 11320 1 1005 . 1 1 82 82 TYR H H 1 9.290 0.030 . 1 . . . . 82 TYR H . 11320 1 1006 . 1 1 82 82 TYR HA H 1 3.618 0.030 . 1 . . . . 82 TYR HA . 11320 1 1007 . 1 1 82 82 TYR HB2 H 1 2.696 0.030 . 2 . . . . 82 TYR HB2 . 11320 1 1008 . 1 1 82 82 TYR HB3 H 1 2.959 0.030 . 2 . . . . 82 TYR HB3 . 11320 1 1009 . 1 1 82 82 TYR HD1 H 1 6.783 0.030 . 3 . . . . 82 TYR HD1 . 11320 1 1010 . 1 1 82 82 TYR HD2 H 1 6.791 0.030 . 3 . . . . 82 TYR HD2 . 11320 1 1011 . 1 1 82 82 TYR HE1 H 1 5.864 0.030 . 3 . . . . 82 TYR HE1 . 11320 1 1012 . 1 1 82 82 TYR HE2 H 1 7.010 0.030 . 3 . . . . 82 TYR HE2 . 11320 1 1013 . 1 1 82 82 TYR C C 13 175.887 0.300 . 1 . . . . 82 TYR C . 11320 1 1014 . 1 1 82 82 TYR CA C 13 60.204 0.300 . 1 . . . . 82 TYR CA . 11320 1 1015 . 1 1 82 82 TYR CB C 13 38.133 0.300 . 1 . . . . 82 TYR CB . 11320 1 1016 . 1 1 82 82 TYR N N 15 128.275 0.300 . 1 . . . . 82 TYR N . 11320 1 1017 . 1 1 83 83 CYS H H 1 8.278 0.030 . 1 . . . . 83 CYS H . 11320 1 1018 . 1 1 83 83 CYS HA H 1 4.144 0.030 . 1 . . . . 83 CYS HA . 11320 1 1019 . 1 1 83 83 CYS HB2 H 1 1.816 0.030 . 2 . . . . 83 CYS HB2 . 11320 1 1020 . 1 1 83 83 CYS HB3 H 1 1.582 0.030 . 2 . . . . 83 CYS HB3 . 11320 1 1021 . 1 1 83 83 CYS C C 13 173.990 0.300 . 1 . . . . 83 CYS C . 11320 1 1022 . 1 1 83 83 CYS CA C 13 59.489 0.300 . 1 . . . . 83 CYS CA . 11320 1 1023 . 1 1 83 83 CYS CB C 13 27.490 0.300 . 1 . . . . 83 CYS CB . 11320 1 1024 . 1 1 83 83 CYS N N 15 124.799 0.300 . 1 . . . . 83 CYS N . 11320 1 1025 . 1 1 84 84 GLY H H 1 6.564 0.030 . 1 . . . . 84 GLY H . 11320 1 1026 . 1 1 84 84 GLY HA2 H 1 3.784 0.030 . 2 . . . . 84 GLY HA2 . 11320 1 1027 . 1 1 84 84 GLY HA3 H 1 4.175 0.030 . 2 . . . . 84 GLY HA3 . 11320 1 1028 . 1 1 84 84 GLY C C 13 168.776 0.300 . 1 . . . . 84 GLY C . 11320 1 1029 . 1 1 84 84 GLY CA C 13 46.176 0.300 . 1 . . . . 84 GLY CA . 11320 1 1030 . 1 1 84 84 GLY N N 15 102.813 0.300 . 1 . . . . 84 GLY N . 11320 1 1031 . 1 1 85 85 ASP H H 1 7.598 0.030 . 1 . . . . 85 ASP H . 11320 1 1032 . 1 1 85 85 ASP HA H 1 5.080 0.030 . 1 . . . . 85 ASP HA . 11320 1 1033 . 1 1 85 85 ASP HB2 H 1 3.161 0.030 . 2 . . . . 85 ASP HB2 . 11320 1 1034 . 1 1 85 85 ASP HB3 H 1 3.785 0.030 . 2 . . . . 85 ASP HB3 . 11320 1 1035 . 1 1 85 85 ASP C C 13 176.350 0.300 . 1 . . . . 85 ASP C . 11320 1 1036 . 1 1 85 85 ASP CA C 13 50.984 0.300 . 1 . . . . 85 ASP CA . 11320 1 1037 . 1 1 85 85 ASP CB C 13 41.861 0.300 . 1 . . . . 85 ASP CB . 11320 1 1038 . 1 1 85 85 ASP N N 15 117.988 0.300 . 1 . . . . 85 ASP N . 11320 1 1039 . 1 1 86 86 TYR H H 1 9.357 0.030 . 1 . . . . 86 TYR H . 11320 1 1040 . 1 1 86 86 TYR HA H 1 3.867 0.030 . 1 . . . . 86 TYR HA . 11320 1 1041 . 1 1 86 86 TYR HB2 H 1 3.158 0.030 . 2 . . . . 86 TYR HB2 . 11320 1 1042 . 1 1 86 86 TYR HB3 H 1 2.979 0.030 . 2 . . . . 86 TYR HB3 . 11320 1 1043 . 1 1 86 86 TYR HD1 H 1 6.980 0.030 . 1 . . . . 86 TYR HD1 . 11320 1 1044 . 1 1 86 86 TYR HD2 H 1 6.980 0.030 . 1 . . . . 86 TYR HD2 . 11320 1 1045 . 1 1 86 86 TYR HE1 H 1 6.941 0.030 . 1 . . . . 86 TYR HE1 . 11320 1 1046 . 1 1 86 86 TYR HE2 H 1 6.941 0.030 . 1 . . . . 86 TYR HE2 . 11320 1 1047 . 1 1 86 86 TYR C C 13 176.378 0.300 . 1 . . . . 86 TYR C . 11320 1 1048 . 1 1 86 86 TYR CA C 13 63.996 0.300 . 1 . . . . 86 TYR CA . 11320 1 1049 . 1 1 86 86 TYR CB C 13 38.677 0.300 . 1 . . . . 86 TYR CB . 11320 1 1050 . 1 1 86 86 TYR CD1 C 13 133.581 0.300 . 1 . . . . 86 TYR CD1 . 11320 1 1051 . 1 1 86 86 TYR CD2 C 13 133.581 0.300 . 1 . . . . 86 TYR CD2 . 11320 1 1052 . 1 1 86 86 TYR CE1 C 13 118.645 0.300 . 1 . . . . 86 TYR CE1 . 11320 1 1053 . 1 1 86 86 TYR CE2 C 13 118.645 0.300 . 1 . . . . 86 TYR CE2 . 11320 1 1054 . 1 1 86 86 TYR N N 15 118.196 0.300 . 1 . . . . 86 TYR N . 11320 1 1055 . 1 1 87 87 ASP H H 1 7.816 0.030 . 1 . . . . 87 ASP H . 11320 1 1056 . 1 1 87 87 ASP HA H 1 4.320 0.030 . 1 . . . . 87 ASP HA . 11320 1 1057 . 1 1 87 87 ASP HB2 H 1 2.708 0.030 . 1 . . . . 87 ASP HB2 . 11320 1 1058 . 1 1 87 87 ASP HB3 H 1 2.708 0.030 . 1 . . . . 87 ASP HB3 . 11320 1 1059 . 1 1 87 87 ASP C C 13 179.155 0.300 . 1 . . . . 87 ASP C . 11320 1 1060 . 1 1 87 87 ASP CA C 13 57.918 0.300 . 1 . . . . 87 ASP CA . 11320 1 1061 . 1 1 87 87 ASP CB C 13 39.885 0.300 . 1 . . . . 87 ASP CB . 11320 1 1062 . 1 1 87 87 ASP N N 15 117.409 0.300 . 1 . . . . 87 ASP N . 11320 1 1063 . 1 1 88 88 SER H H 1 8.149 0.030 . 1 . . . . 88 SER H . 11320 1 1064 . 1 1 88 88 SER HA H 1 4.192 0.030 . 1 . . . . 88 SER HA . 11320 1 1065 . 1 1 88 88 SER HB2 H 1 4.002 0.030 . 1 . . . . 88 SER HB2 . 11320 1 1066 . 1 1 88 88 SER HB3 H 1 4.002 0.030 . 1 . . . . 88 SER HB3 . 11320 1 1067 . 1 1 88 88 SER C C 13 176.730 0.300 . 1 . . . . 88 SER C . 11320 1 1068 . 1 1 88 88 SER CA C 13 61.345 0.300 . 1 . . . . 88 SER CA . 11320 1 1069 . 1 1 88 88 SER CB C 13 63.110 0.300 . 1 . . . . 88 SER CB . 11320 1 1070 . 1 1 88 88 SER N N 15 116.033 0.300 . 1 . . . . 88 SER N . 11320 1 1071 . 1 1 89 89 PHE H H 1 8.194 0.030 . 1 . . . . 89 PHE H . 11320 1 1072 . 1 1 89 89 PHE HA H 1 2.716 0.030 . 1 . . . . 89 PHE HA . 11320 1 1073 . 1 1 89 89 PHE HB2 H 1 2.643 0.030 . 2 . . . . 89 PHE HB2 . 11320 1 1074 . 1 1 89 89 PHE HB3 H 1 2.907 0.030 . 2 . . . . 89 PHE HB3 . 11320 1 1075 . 1 1 89 89 PHE HD1 H 1 6.605 0.030 . 1 . . . . 89 PHE HD1 . 11320 1 1076 . 1 1 89 89 PHE HD2 H 1 6.605 0.030 . 1 . . . . 89 PHE HD2 . 11320 1 1077 . 1 1 89 89 PHE HE1 H 1 6.757 0.030 . 1 . . . . 89 PHE HE1 . 11320 1 1078 . 1 1 89 89 PHE HE2 H 1 6.757 0.030 . 1 . . . . 89 PHE HE2 . 11320 1 1079 . 1 1 89 89 PHE HZ H 1 6.760 0.030 . 1 . . . . 89 PHE HZ . 11320 1 1080 . 1 1 89 89 PHE C C 13 175.838 0.300 . 1 . . . . 89 PHE C . 11320 1 1081 . 1 1 89 89 PHE CA C 13 60.307 0.300 . 1 . . . . 89 PHE CA . 11320 1 1082 . 1 1 89 89 PHE CB C 13 37.775 0.300 . 1 . . . . 89 PHE CB . 11320 1 1083 . 1 1 89 89 PHE CD1 C 13 131.630 0.300 . 1 . . . . 89 PHE CD1 . 11320 1 1084 . 1 1 89 89 PHE CD2 C 13 131.630 0.300 . 1 . . . . 89 PHE CD2 . 11320 1 1085 . 1 1 89 89 PHE CE1 C 13 130.175 0.300 . 1 . . . . 89 PHE CE1 . 11320 1 1086 . 1 1 89 89 PHE CE2 C 13 130.175 0.300 . 1 . . . . 89 PHE CE2 . 11320 1 1087 . 1 1 89 89 PHE CZ C 13 130.173 0.300 . 1 . . . . 89 PHE CZ . 11320 1 1088 . 1 1 89 89 PHE N N 15 125.473 0.300 . 1 . . . . 89 PHE N . 11320 1 1089 . 1 1 90 90 PHE H H 1 9.107 0.030 . 1 . . . . 90 PHE H . 11320 1 1090 . 1 1 90 90 PHE HA H 1 3.081 0.030 . 1 . . . . 90 PHE HA . 11320 1 1091 . 1 1 90 90 PHE HB2 H 1 2.461 0.030 . 2 . . . . 90 PHE HB2 . 11320 1 1092 . 1 1 90 90 PHE HB3 H 1 2.891 0.030 . 2 . . . . 90 PHE HB3 . 11320 1 1093 . 1 1 90 90 PHE HD1 H 1 7.043 0.030 . 1 . . . . 90 PHE HD1 . 11320 1 1094 . 1 1 90 90 PHE HD2 H 1 7.043 0.030 . 1 . . . . 90 PHE HD2 . 11320 1 1095 . 1 1 90 90 PHE HE1 H 1 7.284 0.030 . 1 . . . . 90 PHE HE1 . 11320 1 1096 . 1 1 90 90 PHE HE2 H 1 7.284 0.030 . 1 . . . . 90 PHE HE2 . 11320 1 1097 . 1 1 90 90 PHE HZ H 1 7.219 0.030 . 1 . . . . 90 PHE HZ . 11320 1 1098 . 1 1 90 90 PHE C C 13 177.170 0.300 . 1 . . . . 90 PHE C . 11320 1 1099 . 1 1 90 90 PHE CA C 13 62.167 0.300 . 1 . . . . 90 PHE CA . 11320 1 1100 . 1 1 90 90 PHE CB C 13 39.023 0.300 . 1 . . . . 90 PHE CB . 11320 1 1101 . 1 1 90 90 PHE CD1 C 13 131.722 0.300 . 1 . . . . 90 PHE CD1 . 11320 1 1102 . 1 1 90 90 PHE CD2 C 13 131.722 0.300 . 1 . . . . 90 PHE CD2 . 11320 1 1103 . 1 1 90 90 PHE CE1 C 13 131.650 0.300 . 1 . . . . 90 PHE CE1 . 11320 1 1104 . 1 1 90 90 PHE CE2 C 13 131.650 0.300 . 1 . . . . 90 PHE CE2 . 11320 1 1105 . 1 1 90 90 PHE CZ C 13 129.933 0.300 . 1 . . . . 90 PHE CZ . 11320 1 1106 . 1 1 90 90 PHE N N 15 122.727 0.300 . 1 . . . . 90 PHE N . 11320 1 1107 . 1 1 91 91 GLU H H 1 7.805 0.030 . 1 . . . . 91 GLU H . 11320 1 1108 . 1 1 91 91 GLU HA H 1 3.789 0.030 . 1 . . . . 91 GLU HA . 11320 1 1109 . 1 1 91 91 GLU HB2 H 1 1.960 0.030 . 2 . . . . 91 GLU HB2 . 11320 1 1110 . 1 1 91 91 GLU HB3 H 1 1.881 0.030 . 2 . . . . 91 GLU HB3 . 11320 1 1111 . 1 1 91 91 GLU HG2 H 1 2.166 0.030 . 2 . . . . 91 GLU HG2 . 11320 1 1112 . 1 1 91 91 GLU HG3 H 1 2.340 0.030 . 2 . . . . 91 GLU HG3 . 11320 1 1113 . 1 1 91 91 GLU C C 13 179.355 0.300 . 1 . . . . 91 GLU C . 11320 1 1114 . 1 1 91 91 GLU CA C 13 59.048 0.300 . 1 . . . . 91 GLU CA . 11320 1 1115 . 1 1 91 91 GLU CB C 13 29.314 0.300 . 1 . . . . 91 GLU CB . 11320 1 1116 . 1 1 91 91 GLU CG C 13 36.256 0.300 . 1 . . . . 91 GLU CG . 11320 1 1117 . 1 1 91 91 GLU N N 15 117.825 0.300 . 1 . . . . 91 GLU N . 11320 1 1118 . 1 1 92 92 SER H H 1 7.198 0.030 . 1 . . . . 92 SER H . 11320 1 1119 . 1 1 92 92 SER HA H 1 3.866 0.030 . 1 . . . . 92 SER HA . 11320 1 1120 . 1 1 92 92 SER HB2 H 1 3.113 0.030 . 2 . . . . 92 SER HB2 . 11320 1 1121 . 1 1 92 92 SER HB3 H 1 3.233 0.030 . 2 . . . . 92 SER HB3 . 11320 1 1122 . 1 1 92 92 SER C C 13 175.582 0.300 . 1 . . . . 92 SER C . 11320 1 1123 . 1 1 92 92 SER CA C 13 60.885 0.300 . 1 . . . . 92 SER CA . 11320 1 1124 . 1 1 92 92 SER CB C 13 62.038 0.300 . 1 . . . . 92 SER CB . 11320 1 1125 . 1 1 92 92 SER N N 15 116.783 0.300 . 1 . . . . 92 SER N . 11320 1 1126 . 1 1 93 93 LYS H H 1 7.757 0.030 . 1 . . . . 93 LYS H . 11320 1 1127 . 1 1 93 93 LYS HA H 1 3.432 0.030 . 1 . . . . 93 LYS HA . 11320 1 1128 . 1 1 93 93 LYS HB2 H 1 1.186 0.030 . 2 . . . . 93 LYS HB2 . 11320 1 1129 . 1 1 93 93 LYS HB3 H 1 0.606 0.030 . 2 . . . . 93 LYS HB3 . 11320 1 1130 . 1 1 93 93 LYS HD2 H 1 1.262 0.030 . 2 . . . . 93 LYS HD2 . 11320 1 1131 . 1 1 93 93 LYS HD3 H 1 1.064 0.030 . 2 . . . . 93 LYS HD3 . 11320 1 1132 . 1 1 93 93 LYS HE2 H 1 2.690 0.030 . 1 . . . . 93 LYS HE2 . 11320 1 1133 . 1 1 93 93 LYS HE3 H 1 2.690 0.030 . 1 . . . . 93 LYS HE3 . 11320 1 1134 . 1 1 93 93 LYS HG2 H 1 0.796 0.030 . 2 . . . . 93 LYS HG2 . 11320 1 1135 . 1 1 93 93 LYS HG3 H 1 0.727 0.030 . 2 . . . . 93 LYS HG3 . 11320 1 1136 . 1 1 93 93 LYS C C 13 180.366 0.300 . 1 . . . . 93 LYS C . 11320 1 1137 . 1 1 93 93 LYS CA C 13 59.521 0.300 . 1 . . . . 93 LYS CA . 11320 1 1138 . 1 1 93 93 LYS CB C 13 31.125 0.300 . 1 . . . . 93 LYS CB . 11320 1 1139 . 1 1 93 93 LYS CD C 13 29.609 0.300 . 1 . . . . 93 LYS CD . 11320 1 1140 . 1 1 93 93 LYS CE C 13 41.289 0.300 . 1 . . . . 93 LYS CE . 11320 1 1141 . 1 1 93 93 LYS CG C 13 24.005 0.300 . 1 . . . . 93 LYS CG . 11320 1 1142 . 1 1 93 93 LYS N N 15 125.319 0.300 . 1 . . . . 93 LYS N . 11320 1 1143 . 1 1 94 94 GLU H H 1 7.701 0.030 . 1 . . . . 94 GLU H . 11320 1 1144 . 1 1 94 94 GLU HA H 1 3.786 0.030 . 1 . . . . 94 GLU HA . 11320 1 1145 . 1 1 94 94 GLU HB2 H 1 1.847 0.030 . 2 . . . . 94 GLU HB2 . 11320 1 1146 . 1 1 94 94 GLU HB3 H 1 1.796 0.030 . 2 . . . . 94 GLU HB3 . 11320 1 1147 . 1 1 94 94 GLU HG2 H 1 1.845 0.030 . 2 . . . . 94 GLU HG2 . 11320 1 1148 . 1 1 94 94 GLU HG3 H 1 1.589 0.030 . 2 . . . . 94 GLU HG3 . 11320 1 1149 . 1 1 94 94 GLU C C 13 177.689 0.300 . 1 . . . . 94 GLU C . 11320 1 1150 . 1 1 94 94 GLU CA C 13 58.870 0.300 . 1 . . . . 94 GLU CA . 11320 1 1151 . 1 1 94 94 GLU CB C 13 29.641 0.300 . 1 . . . . 94 GLU CB . 11320 1 1152 . 1 1 94 94 GLU CG C 13 36.800 0.300 . 1 . . . . 94 GLU CG . 11320 1 1153 . 1 1 94 94 GLU N N 15 119.564 0.300 . 1 . . . . 94 GLU N . 11320 1 1154 . 1 1 95 95 SER H H 1 7.521 0.030 . 1 . . . . 95 SER H . 11320 1 1155 . 1 1 95 95 SER HA H 1 4.425 0.030 . 1 . . . . 95 SER HA . 11320 1 1156 . 1 1 95 95 SER HB2 H 1 4.054 0.030 . 2 . . . . 95 SER HB2 . 11320 1 1157 . 1 1 95 95 SER HB3 H 1 3.781 0.030 . 2 . . . . 95 SER HB3 . 11320 1 1158 . 1 1 95 95 SER C C 13 173.714 0.300 . 1 . . . . 95 SER C . 11320 1 1159 . 1 1 95 95 SER CA C 13 57.724 0.300 . 1 . . . . 95 SER CA . 11320 1 1160 . 1 1 95 95 SER CB C 13 63.945 0.300 . 1 . . . . 95 SER CB . 11320 1 1161 . 1 1 95 95 SER N N 15 110.605 0.300 . 1 . . . . 95 SER N . 11320 1 1162 . 1 1 96 96 ASN H H 1 7.762 0.030 . 1 . . . . 96 ASN H . 11320 1 1163 . 1 1 96 96 ASN HA H 1 4.555 0.030 . 1 . . . . 96 ASN HA . 11320 1 1164 . 1 1 96 96 ASN HB2 H 1 3.278 0.030 . 2 . . . . 96 ASN HB2 . 11320 1 1165 . 1 1 96 96 ASN HB3 H 1 2.783 0.030 . 2 . . . . 96 ASN HB3 . 11320 1 1166 . 1 1 96 96 ASN HD21 H 1 7.618 0.030 . 2 . . . . 96 ASN HD21 . 11320 1 1167 . 1 1 96 96 ASN HD22 H 1 6.882 0.030 . 2 . . . . 96 ASN HD22 . 11320 1 1168 . 1 1 96 96 ASN C C 13 175.859 0.300 . 1 . . . . 96 ASN C . 11320 1 1169 . 1 1 96 96 ASN CA C 13 54.594 0.300 . 1 . . . . 96 ASN CA . 11320 1 1170 . 1 1 96 96 ASN CB C 13 37.142 0.300 . 1 . . . . 96 ASN CB . 11320 1 1171 . 1 1 96 96 ASN N N 15 118.103 0.300 . 1 . . . . 96 ASN N . 11320 1 1172 . 1 1 96 96 ASN ND2 N 15 112.805 0.300 . 1 . . . . 96 ASN ND2 . 11320 1 1173 . 1 1 97 97 THR H H 1 8.856 0.030 . 1 . . . . 97 THR H . 11320 1 1174 . 1 1 97 97 THR HA H 1 4.920 0.030 . 1 . . . . 97 THR HA . 11320 1 1175 . 1 1 97 97 THR HB H 1 4.613 0.030 . 1 . . . . 97 THR HB . 11320 1 1176 . 1 1 97 97 THR HG21 H 1 1.095 0.030 . 1 . . . . 97 THR HG2 . 11320 1 1177 . 1 1 97 97 THR HG22 H 1 1.095 0.030 . 1 . . . . 97 THR HG2 . 11320 1 1178 . 1 1 97 97 THR HG23 H 1 1.095 0.030 . 1 . . . . 97 THR HG2 . 11320 1 1179 . 1 1 97 97 THR C C 13 175.972 0.300 . 1 . . . . 97 THR C . 11320 1 1180 . 1 1 97 97 THR CA C 13 60.454 0.300 . 1 . . . . 97 THR CA . 11320 1 1181 . 1 1 97 97 THR CB C 13 68.886 0.300 . 1 . . . . 97 THR CB . 11320 1 1182 . 1 1 97 97 THR CG2 C 13 21.333 0.300 . 1 . . . . 97 THR CG2 . 11320 1 1183 . 1 1 97 97 THR N N 15 108.089 0.300 . 1 . . . . 97 THR N . 11320 1 1184 . 1 1 98 98 VAL H H 1 7.772 0.030 . 1 . . . . 98 VAL H . 11320 1 1185 . 1 1 98 98 VAL HA H 1 3.647 0.030 . 1 . . . . 98 VAL HA . 11320 1 1186 . 1 1 98 98 VAL HB H 1 1.589 0.030 . 1 . . . . 98 VAL HB . 11320 1 1187 . 1 1 98 98 VAL HG11 H 1 0.528 0.030 . 1 . . . . 98 VAL HG1 . 11320 1 1188 . 1 1 98 98 VAL HG12 H 1 0.528 0.030 . 1 . . . . 98 VAL HG1 . 11320 1 1189 . 1 1 98 98 VAL HG13 H 1 0.528 0.030 . 1 . . . . 98 VAL HG1 . 11320 1 1190 . 1 1 98 98 VAL HG21 H 1 0.329 0.030 . 1 . . . . 98 VAL HG2 . 11320 1 1191 . 1 1 98 98 VAL HG22 H 1 0.329 0.030 . 1 . . . . 98 VAL HG2 . 11320 1 1192 . 1 1 98 98 VAL HG23 H 1 0.329 0.030 . 1 . . . . 98 VAL HG2 . 11320 1 1193 . 1 1 98 98 VAL C C 13 177.204 0.300 . 1 . . . . 98 VAL C . 11320 1 1194 . 1 1 98 98 VAL CA C 13 65.566 0.300 . 1 . . . . 98 VAL CA . 11320 1 1195 . 1 1 98 98 VAL CB C 13 31.407 0.300 . 1 . . . . 98 VAL CB . 11320 1 1196 . 1 1 98 98 VAL CG1 C 13 21.359 0.300 . 2 . . . . 98 VAL CG1 . 11320 1 1197 . 1 1 98 98 VAL CG2 C 13 21.538 0.300 . 2 . . . . 98 VAL CG2 . 11320 1 1198 . 1 1 98 98 VAL N N 15 122.819 0.300 . 1 . . . . 98 VAL N . 11320 1 1199 . 1 1 99 99 PHE H H 1 8.378 0.030 . 1 . . . . 99 PHE H . 11320 1 1200 . 1 1 99 99 PHE HA H 1 4.119 0.030 . 1 . . . . 99 PHE HA . 11320 1 1201 . 1 1 99 99 PHE HB2 H 1 2.977 0.030 . 2 . . . . 99 PHE HB2 . 11320 1 1202 . 1 1 99 99 PHE HB3 H 1 3.138 0.030 . 2 . . . . 99 PHE HB3 . 11320 1 1203 . 1 1 99 99 PHE HD1 H 1 7.313 0.030 . 1 . . . . 99 PHE HD1 . 11320 1 1204 . 1 1 99 99 PHE HD2 H 1 7.313 0.030 . 1 . . . . 99 PHE HD2 . 11320 1 1205 . 1 1 99 99 PHE HE1 H 1 7.381 0.030 . 1 . . . . 99 PHE HE1 . 11320 1 1206 . 1 1 99 99 PHE HE2 H 1 7.381 0.030 . 1 . . . . 99 PHE HE2 . 11320 1 1207 . 1 1 99 99 PHE HZ H 1 7.324 0.030 . 1 . . . . 99 PHE HZ . 11320 1 1208 . 1 1 99 99 PHE C C 13 177.993 0.300 . 1 . . . . 99 PHE C . 11320 1 1209 . 1 1 99 99 PHE CA C 13 62.946 0.300 . 1 . . . . 99 PHE CA . 11320 1 1210 . 1 1 99 99 PHE CB C 13 37.243 0.300 . 1 . . . . 99 PHE CB . 11320 1 1211 . 1 1 99 99 PHE CD1 C 13 131.192 0.300 . 1 . . . . 99 PHE CD1 . 11320 1 1212 . 1 1 99 99 PHE CD2 C 13 131.192 0.300 . 1 . . . . 99 PHE CD2 . 11320 1 1213 . 1 1 99 99 PHE CE1 C 13 131.650 0.300 . 1 . . . . 99 PHE CE1 . 11320 1 1214 . 1 1 99 99 PHE CE2 C 13 131.650 0.300 . 1 . . . . 99 PHE CE2 . 11320 1 1215 . 1 1 99 99 PHE CZ C 13 130.173 0.300 . 1 . . . . 99 PHE CZ . 11320 1 1216 . 1 1 99 99 PHE N N 15 117.642 0.300 . 1 . . . . 99 PHE N . 11320 1 1217 . 1 1 100 100 SER H H 1 7.759 0.030 . 1 . . . . 100 SER H . 11320 1 1218 . 1 1 100 100 SER HA H 1 4.464 0.030 . 1 . . . . 100 SER HA . 11320 1 1219 . 1 1 100 100 SER HB2 H 1 3.971 0.030 . 1 . . . . 100 SER HB2 . 11320 1 1220 . 1 1 100 100 SER HB3 H 1 3.971 0.030 . 1 . . . . 100 SER HB3 . 11320 1 1221 . 1 1 100 100 SER C C 13 178.168 0.300 . 1 . . . . 100 SER C . 11320 1 1222 . 1 1 100 100 SER CA C 13 61.179 0.300 . 1 . . . . 100 SER CA . 11320 1 1223 . 1 1 100 100 SER CB C 13 62.498 0.300 . 1 . . . . 100 SER CB . 11320 1 1224 . 1 1 100 100 SER N N 15 114.639 0.300 . 1 . . . . 100 SER N . 11320 1 1225 . 1 1 101 101 PHE H H 1 8.369 0.030 . 1 . . . . 101 PHE H . 11320 1 1226 . 1 1 101 101 PHE HA H 1 4.274 0.030 . 1 . . . . 101 PHE HA . 11320 1 1227 . 1 1 101 101 PHE HB2 H 1 3.404 0.030 . 2 . . . . 101 PHE HB2 . 11320 1 1228 . 1 1 101 101 PHE HB3 H 1 3.310 0.030 . 2 . . . . 101 PHE HB3 . 11320 1 1229 . 1 1 101 101 PHE HD1 H 1 7.157 0.030 . 1 . . . . 101 PHE HD1 . 11320 1 1230 . 1 1 101 101 PHE HD2 H 1 7.157 0.030 . 1 . . . . 101 PHE HD2 . 11320 1 1231 . 1 1 101 101 PHE HE1 H 1 6.984 0.030 . 1 . . . . 101 PHE HE1 . 11320 1 1232 . 1 1 101 101 PHE HE2 H 1 6.984 0.030 . 1 . . . . 101 PHE HE2 . 11320 1 1233 . 1 1 101 101 PHE HZ H 1 6.624 0.030 . 1 . . . . 101 PHE HZ . 11320 1 1234 . 1 1 101 101 PHE C C 13 176.825 0.300 . 1 . . . . 101 PHE C . 11320 1 1235 . 1 1 101 101 PHE CA C 13 60.544 0.300 . 1 . . . . 101 PHE CA . 11320 1 1236 . 1 1 101 101 PHE CB C 13 38.685 0.300 . 1 . . . . 101 PHE CB . 11320 1 1237 . 1 1 101 101 PHE CD1 C 13 132.275 0.300 . 1 . . . . 101 PHE CD1 . 11320 1 1238 . 1 1 101 101 PHE CD2 C 13 132.275 0.300 . 1 . . . . 101 PHE CD2 . 11320 1 1239 . 1 1 101 101 PHE CE1 C 13 130.286 0.300 . 1 . . . . 101 PHE CE1 . 11320 1 1240 . 1 1 101 101 PHE CE2 C 13 130.286 0.300 . 1 . . . . 101 PHE CE2 . 11320 1 1241 . 1 1 101 101 PHE CZ C 13 127.175 0.300 . 1 . . . . 101 PHE CZ . 11320 1 1242 . 1 1 101 101 PHE N N 15 126.919 0.300 . 1 . . . . 101 PHE N . 11320 1 1243 . 1 1 102 102 LEU H H 1 7.964 0.030 . 1 . . . . 102 LEU H . 11320 1 1244 . 1 1 102 102 LEU HA H 1 4.075 0.030 . 1 . . . . 102 LEU HA . 11320 1 1245 . 1 1 102 102 LEU HB2 H 1 1.781 0.030 . 2 . . . . 102 LEU HB2 . 11320 1 1246 . 1 1 102 102 LEU HB3 H 1 1.597 0.030 . 2 . . . . 102 LEU HB3 . 11320 1 1247 . 1 1 102 102 LEU HD11 H 1 0.809 0.030 . 1 . . . . 102 LEU HD1 . 11320 1 1248 . 1 1 102 102 LEU HD12 H 1 0.809 0.030 . 1 . . . . 102 LEU HD1 . 11320 1 1249 . 1 1 102 102 LEU HD13 H 1 0.809 0.030 . 1 . . . . 102 LEU HD1 . 11320 1 1250 . 1 1 102 102 LEU HD21 H 1 0.759 0.030 . 1 . . . . 102 LEU HD2 . 11320 1 1251 . 1 1 102 102 LEU HD22 H 1 0.759 0.030 . 1 . . . . 102 LEU HD2 . 11320 1 1252 . 1 1 102 102 LEU HD23 H 1 0.759 0.030 . 1 . . . . 102 LEU HD2 . 11320 1 1253 . 1 1 102 102 LEU HG H 1 2.189 0.030 . 1 . . . . 102 LEU HG . 11320 1 1254 . 1 1 102 102 LEU C C 13 175.942 0.300 . 1 . . . . 102 LEU C . 11320 1 1255 . 1 1 102 102 LEU CA C 13 55.034 0.300 . 1 . . . . 102 LEU CA . 11320 1 1256 . 1 1 102 102 LEU CB C 13 43.060 0.300 . 1 . . . . 102 LEU CB . 11320 1 1257 . 1 1 102 102 LEU CD1 C 13 27.769 0.300 . 2 . . . . 102 LEU CD1 . 11320 1 1258 . 1 1 102 102 LEU CD2 C 13 23.219 0.300 . 2 . . . . 102 LEU CD2 . 11320 1 1259 . 1 1 102 102 LEU CG C 13 26.385 0.300 . 1 . . . . 102 LEU CG . 11320 1 1260 . 1 1 102 102 LEU N N 15 115.611 0.300 . 1 . . . . 102 LEU N . 11320 1 1261 . 1 1 103 103 GLY H H 1 7.788 0.030 . 1 . . . . 103 GLY H . 11320 1 1262 . 1 1 103 103 GLY HA2 H 1 3.832 0.030 . 1 . . . . 103 GLY HA2 . 11320 1 1263 . 1 1 103 103 GLY HA3 H 1 3.832 0.030 . 1 . . . . 103 GLY HA3 . 11320 1 1264 . 1 1 103 103 GLY C C 13 174.832 0.300 . 1 . . . . 103 GLY C . 11320 1 1265 . 1 1 103 103 GLY CA C 13 45.933 0.300 . 1 . . . . 103 GLY CA . 11320 1 1266 . 1 1 103 103 GLY N N 15 106.368 0.300 . 1 . . . . 103 GLY N . 11320 1 1267 . 1 1 104 104 LEU H H 1 7.939 0.030 . 1 . . . . 104 LEU H . 11320 1 1268 . 1 1 104 104 LEU HA H 1 4.447 0.030 . 1 . . . . 104 LEU HA . 11320 1 1269 . 1 1 104 104 LEU HB2 H 1 1.752 0.030 . 2 . . . . 104 LEU HB2 . 11320 1 1270 . 1 1 104 104 LEU HB3 H 1 1.688 0.030 . 2 . . . . 104 LEU HB3 . 11320 1 1271 . 1 1 104 104 LEU HD11 H 1 0.897 0.030 . 1 . . . . 104 LEU HD1 . 11320 1 1272 . 1 1 104 104 LEU HD12 H 1 0.897 0.030 . 1 . . . . 104 LEU HD1 . 11320 1 1273 . 1 1 104 104 LEU HD13 H 1 0.897 0.030 . 1 . . . . 104 LEU HD1 . 11320 1 1274 . 1 1 104 104 LEU HD21 H 1 0.884 0.030 . 1 . . . . 104 LEU HD2 . 11320 1 1275 . 1 1 104 104 LEU HD22 H 1 0.884 0.030 . 1 . . . . 104 LEU HD2 . 11320 1 1276 . 1 1 104 104 LEU HD23 H 1 0.884 0.030 . 1 . . . . 104 LEU HD2 . 11320 1 1277 . 1 1 104 104 LEU HG H 1 1.511 0.030 . 1 . . . . 104 LEU HG . 11320 1 1278 . 1 1 104 104 LEU C C 13 176.697 0.300 . 1 . . . . 104 LEU C . 11320 1 1279 . 1 1 104 104 LEU CA C 13 54.229 0.300 . 1 . . . . 104 LEU CA . 11320 1 1280 . 1 1 104 104 LEU CB C 13 43.522 0.300 . 1 . . . . 104 LEU CB . 11320 1 1281 . 1 1 104 104 LEU CD1 C 13 26.664 0.300 . 2 . . . . 104 LEU CD1 . 11320 1 1282 . 1 1 104 104 LEU CD2 C 13 22.696 0.300 . 2 . . . . 104 LEU CD2 . 11320 1 1283 . 1 1 104 104 LEU CG C 13 26.805 0.300 . 1 . . . . 104 LEU CG . 11320 1 1284 . 1 1 104 104 LEU N N 15 118.636 0.300 . 1 . . . . 104 LEU N . 11320 1 1285 . 1 1 105 105 LYS H H 1 7.994 0.030 . 1 . . . . 105 LYS H . 11320 1 1286 . 1 1 105 105 LYS HA H 1 4.391 0.030 . 1 . . . . 105 LYS HA . 11320 1 1287 . 1 1 105 105 LYS HB2 H 1 1.661 0.030 . 2 . . . . 105 LYS HB2 . 11320 1 1288 . 1 1 105 105 LYS HB3 H 1 1.824 0.030 . 2 . . . . 105 LYS HB3 . 11320 1 1289 . 1 1 105 105 LYS HD2 H 1 1.639 0.030 . 1 . . . . 105 LYS HD2 . 11320 1 1290 . 1 1 105 105 LYS HD3 H 1 1.639 0.030 . 1 . . . . 105 LYS HD3 . 11320 1 1291 . 1 1 105 105 LYS HE2 H 1 2.916 0.030 . 1 . . . . 105 LYS HE2 . 11320 1 1292 . 1 1 105 105 LYS HE3 H 1 2.916 0.030 . 1 . . . . 105 LYS HE3 . 11320 1 1293 . 1 1 105 105 LYS HG2 H 1 1.385 0.030 . 1 . . . . 105 LYS HG2 . 11320 1 1294 . 1 1 105 105 LYS HG3 H 1 1.385 0.030 . 1 . . . . 105 LYS HG3 . 11320 1 1295 . 1 1 105 105 LYS C C 13 176.074 0.300 . 1 . . . . 105 LYS C . 11320 1 1296 . 1 1 105 105 LYS CA C 13 55.843 0.300 . 1 . . . . 105 LYS CA . 11320 1 1297 . 1 1 105 105 LYS CB C 13 33.751 0.300 . 1 . . . . 105 LYS CB . 11320 1 1298 . 1 1 105 105 LYS CD C 13 29.044 0.300 . 1 . . . . 105 LYS CD . 11320 1 1299 . 1 1 105 105 LYS CE C 13 42.187 0.300 . 1 . . . . 105 LYS CE . 11320 1 1300 . 1 1 105 105 LYS CG C 13 24.696 0.300 . 1 . . . . 105 LYS CG . 11320 1 1301 . 1 1 105 105 LYS N N 15 119.970 0.300 . 1 . . . . 105 LYS N . 11320 1 1302 . 1 1 106 106 SER H H 1 8.322 0.030 . 1 . . . . 106 SER H . 11320 1 1303 . 1 1 106 106 SER HA H 1 4.369 0.030 . 1 . . . . 106 SER HA . 11320 1 1304 . 1 1 106 106 SER HB2 H 1 3.749 0.030 . 1 . . . . 106 SER HB2 . 11320 1 1305 . 1 1 106 106 SER HB3 H 1 3.749 0.030 . 1 . . . . 106 SER HB3 . 11320 1 1306 . 1 1 106 106 SER C C 13 174.366 0.300 . 1 . . . . 106 SER C . 11320 1 1307 . 1 1 106 106 SER CA C 13 58.105 0.300 . 1 . . . . 106 SER CA . 11320 1 1308 . 1 1 106 106 SER CB C 13 64.144 0.300 . 1 . . . . 106 SER CB . 11320 1 1309 . 1 1 106 106 SER N N 15 117.157 0.300 . 1 . . . . 106 SER N . 11320 1 1310 . 1 1 107 107 GLY H H 1 8.191 0.030 . 1 . . . . 107 GLY H . 11320 1 1311 . 1 1 107 107 GLY HA2 H 1 3.972 0.030 . 2 . . . . 107 GLY HA2 . 11320 1 1312 . 1 1 107 107 GLY HA3 H 1 4.060 0.030 . 2 . . . . 107 GLY HA3 . 11320 1 1313 . 1 1 107 107 GLY C C 13 171.746 0.300 . 1 . . . . 107 GLY C . 11320 1 1314 . 1 1 107 107 GLY CA C 13 44.572 0.300 . 1 . . . . 107 GLY CA . 11320 1 1315 . 1 1 107 107 GLY N N 15 110.443 0.300 . 1 . . . . 107 GLY N . 11320 1 1316 . 1 1 108 108 PRO HA H 1 4.442 0.030 . 1 . . . . 108 PRO HA . 11320 1 1317 . 1 1 108 108 PRO HB2 H 1 1.963 0.030 . 2 . . . . 108 PRO HB2 . 11320 1 1318 . 1 1 108 108 PRO HB3 H 1 2.276 0.030 . 2 . . . . 108 PRO HB3 . 11320 1 1319 . 1 1 108 108 PRO HD2 H 1 3.581 0.030 . 2 . . . . 108 PRO HD2 . 11320 1 1320 . 1 1 108 108 PRO HD3 H 1 3.521 0.030 . 2 . . . . 108 PRO HD3 . 11320 1 1321 . 1 1 108 108 PRO HG2 H 1 1.998 0.030 . 1 . . . . 108 PRO HG2 . 11320 1 1322 . 1 1 108 108 PRO HG3 H 1 1.998 0.030 . 1 . . . . 108 PRO HG3 . 11320 1 1323 . 1 1 108 108 PRO C C 13 177.400 0.300 . 1 . . . . 108 PRO C . 11320 1 1324 . 1 1 108 108 PRO CA C 13 63.275 0.300 . 1 . . . . 108 PRO CA . 11320 1 1325 . 1 1 108 108 PRO CB C 13 32.236 0.300 . 1 . . . . 108 PRO CB . 11320 1 1326 . 1 1 108 108 PRO CD C 13 49.772 0.300 . 1 . . . . 108 PRO CD . 11320 1 1327 . 1 1 108 108 PRO CG C 13 27.177 0.300 . 1 . . . . 108 PRO CG . 11320 1 1328 . 1 1 109 109 SER H H 1 8.522 0.030 . 1 . . . . 109 SER H . 11320 1 1329 . 1 1 109 109 SER HA H 1 4.492 0.030 . 1 . . . . 109 SER HA . 11320 1 1330 . 1 1 109 109 SER HB2 H 1 3.907 0.030 . 1 . . . . 109 SER HB2 . 11320 1 1331 . 1 1 109 109 SER HB3 H 1 3.907 0.030 . 1 . . . . 109 SER HB3 . 11320 1 1332 . 1 1 109 109 SER C C 13 174.644 0.300 . 1 . . . . 109 SER C . 11320 1 1333 . 1 1 109 109 SER CA C 13 58.380 0.300 . 1 . . . . 109 SER CA . 11320 1 1334 . 1 1 109 109 SER CB C 13 63.632 0.300 . 1 . . . . 109 SER CB . 11320 1 1335 . 1 1 109 109 SER N N 15 116.266 0.300 . 1 . . . . 109 SER N . 11320 1 1336 . 1 1 110 110 SER H H 1 8.302 0.030 . 1 . . . . 110 SER H . 11320 1 1337 . 1 1 110 110 SER HA H 1 4.482 0.030 . 1 . . . . 110 SER HA . 11320 1 1338 . 1 1 110 110 SER HB2 H 1 3.875 0.030 . 1 . . . . 110 SER HB2 . 11320 1 1339 . 1 1 110 110 SER HB3 H 1 3.875 0.030 . 1 . . . . 110 SER HB3 . 11320 1 1340 . 1 1 110 110 SER C C 13 173.923 0.300 . 1 . . . . 110 SER C . 11320 1 1341 . 1 1 110 110 SER CA C 13 58.386 0.300 . 1 . . . . 110 SER CA . 11320 1 1342 . 1 1 110 110 SER CB C 13 63.954 0.300 . 1 . . . . 110 SER CB . 11320 1 1343 . 1 1 110 110 SER N N 15 117.717 0.300 . 1 . . . . 110 SER N . 11320 1 1344 . 1 1 111 111 GLY H H 1 8.039 0.030 . 1 . . . . 111 GLY H . 11320 1 1345 . 1 1 111 111 GLY HA2 H 1 4.479 0.030 . 2 . . . . 111 GLY HA2 . 11320 1 1346 . 1 1 111 111 GLY HA3 H 1 3.767 0.030 . 2 . . . . 111 GLY HA3 . 11320 1 1347 . 1 1 111 111 GLY C C 13 179.012 0.300 . 1 . . . . 111 GLY C . 11320 1 1348 . 1 1 111 111 GLY CA C 13 46.244 0.300 . 1 . . . . 111 GLY CA . 11320 1 1349 . 1 1 111 111 GLY N N 15 116.866 0.300 . 1 . . . . 111 GLY N . 11320 1 stop_ save_