data_5366 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5366 _Entry.Title ; SOLUTION STRUCTURE OF THE VAM7P PX DOMAIN ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-05-08 _Entry.Accession_date 2002-05-08 _Entry.Last_release_date 2003-02-25 _Entry.Original_release_date 2003-02-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 J. Lu . . . 5366 2 . Garcia . J . 5366 3 I. Dulubova . . . 5366 4 T. Sudhof . C. . 5366 5 J. Rizo . . . 5366 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5366 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 575 5366 '15N chemical shifts' 127 5366 '1H chemical shifts' 897 5366 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-02-25 2002-05-08 original author . 5366 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1KMD 'BMRB Entry Tracking System' 5366 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5366 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21989951 _Citation.DOI . _Citation.PubMed_ID 11993989 _Citation.Full_citation . _Citation.Title 'Solution Structure of the Vam7P PX Domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 41 _Citation.Journal_issue 19 _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 5956 _Citation.Page_last 5962 _Citation.Year 2002 _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 J. Lu . . . 5366 1 2 J. Garcia . J. . 5366 1 3 I. Dulubova . . . 5366 1 4 T. Sudhof . C. . 5366 1 5 J. Rizo . . . 5366 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'phosphoinositide binding' 5366 1 'PX domain' 5366 1 Vam7p 5366 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5366 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11993989 _Citation.Full_citation ; Lu J., Garcia J., Dulubova I, Sudhof TC, Rizo J. Solution structure of the Vam7p PX Domain Biochemistry, 2002 May 14:41(19):5956-62 ; _Citation.Title 'Solution structure of the Vam7p PX domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 41 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0006-2960 _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 5956 _Citation.Page_last 5962 _Citation.Year 2002 _Citation.Details ; PX domains have been recently found to act as phosphoinositide binding modules. In the yeast SNARE protein Vam7p, the PX domain binds to PtdIns(3)P and is required for vacuolar targeting. To gain insight into how PX domains function, the solution structure of the ligand-free Vam7p PX domain has been determined by NMR spectroscopy. The Vam7p PX domain has the same overall alpha/beta fold observed in the structures of the ligand-free p47(phox) PX domain and the PtdIns(3)P-bound p40(phox) PX domain, exhibiting several similarities and differences with these two PX domains. Most striking is the similarity between the Vam7p and p40(phox) PX domains in a subset of secondary structure elements despite the low level of sequence identity between them, suggesting that these elements form a conserved core in the PX domain fold. These similarities and the observation that a putative PtdIns(3)P binding site is already formed in the apo Vam7p PX domains suggest that ligand binding does not induce major conformational changes, contrary to what was previously thought. The proposed ligand binding site of the Vam7p PX domain includes basic side chains from the conserved structural core that also participate in PtdIns(3)P binding to the p40(phox) PX domain, and basic side chains from a variable loop that probably inserts into the membrane. These results indicate that PX domains contain a combination of conserved and variable features that allow them to have a common function and at the same time exhibit distinct specificities, mechanisms of regulation, or modes of interaction with effector molecules. ; 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 Jun Lu J. . . 5366 2 2 Jesus Garcia J. . . 5366 2 3 Irina Dulubova I. . . 5366 2 4 'Thomas C' Sudhof T. C. . 5366 2 5 Josep Rizo J. . . 5366 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Vam7P _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Vam7P _Assembly.Entry_ID 5366 _Assembly.ID 1 _Assembly.Name 'Vacuolar morphogenesis protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5366 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Vacuolar morphogenesis protein' 1 $Vam7P . . . native . . . . . 5366 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1KMD . . . . . . 5366 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Vacuolar morphogenesis protein' system 5366 1 Vam7P abbreviation 5366 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Vam7P _Entity.Sf_category entity _Entity.Sf_framecode Vam7P _Entity.Entry_ID 5366 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name vam7p _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KMSEKLRKMSEKLRIKVDDV KINPKYVLYGVSTPNKRLYK RYSEFWKLKTRLERDVGSTI PYDFPEKPGVLDRRWQRRYD DPEMIDERRIGLERFLNELY NDRFDSRWRDTKIAQDFLQL SKPN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1KMD . "Solution Structure Of The Vam7p Px Domain" . . . . . 94.35 117 100.00 100.00 5.86e-77 . . . . 5366 1 2 no GB EGA86963 . "Vam7p [Saccharomyces cerevisiae VL3]" . . . . . 93.55 308 99.14 99.14 5.32e-77 . . . . 5366 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID vam7p abbreviation 5366 1 vam7p common 5366 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 . LYS . 5366 1 2 . MET . 5366 1 3 . SER . 5366 1 4 . GLU . 5366 1 5 . LYS . 5366 1 6 . LEU . 5366 1 7 . ARG . 5366 1 8 . LYS . 5366 1 9 . MET . 5366 1 10 . SER . 5366 1 11 . GLU . 5366 1 12 . LYS . 5366 1 13 . LEU . 5366 1 14 . ARG . 5366 1 15 . ILE . 5366 1 16 . LYS . 5366 1 17 . VAL . 5366 1 18 . ASP . 5366 1 19 . ASP . 5366 1 20 . VAL . 5366 1 21 . LYS . 5366 1 22 . ILE . 5366 1 23 . ASN . 5366 1 24 . PRO . 5366 1 25 . LYS . 5366 1 26 . TYR . 5366 1 27 . VAL . 5366 1 28 . LEU . 5366 1 29 . TYR . 5366 1 30 . GLY . 5366 1 31 . VAL . 5366 1 32 . SER . 5366 1 33 . THR . 5366 1 34 . PRO . 5366 1 35 . ASN . 5366 1 36 . LYS . 5366 1 37 . ARG . 5366 1 38 . LEU . 5366 1 39 . TYR . 5366 1 40 . LYS . 5366 1 41 . ARG . 5366 1 42 . TYR . 5366 1 43 . SER . 5366 1 44 . GLU . 5366 1 45 . PHE . 5366 1 46 . TRP . 5366 1 47 . LYS . 5366 1 48 . LEU . 5366 1 49 . LYS . 5366 1 50 . THR . 5366 1 51 . ARG . 5366 1 52 . LEU . 5366 1 53 . GLU . 5366 1 54 . ARG . 5366 1 55 . ASP . 5366 1 56 . VAL . 5366 1 57 . GLY . 5366 1 58 . SER . 5366 1 59 . THR . 5366 1 60 . ILE . 5366 1 61 . PRO . 5366 1 62 . TYR . 5366 1 63 . ASP . 5366 1 64 . PHE . 5366 1 65 . PRO . 5366 1 66 . GLU . 5366 1 67 . LYS . 5366 1 68 . PRO . 5366 1 69 . GLY . 5366 1 70 . VAL . 5366 1 71 . LEU . 5366 1 72 . ASP . 5366 1 73 . ARG . 5366 1 74 . ARG . 5366 1 75 . TRP . 5366 1 76 . GLN . 5366 1 77 . ARG . 5366 1 78 . ARG . 5366 1 79 . TYR . 5366 1 80 . ASP . 5366 1 81 . ASP . 5366 1 82 . PRO . 5366 1 83 . GLU . 5366 1 84 . MET . 5366 1 85 . ILE . 5366 1 86 . ASP . 5366 1 87 . GLU . 5366 1 88 . ARG . 5366 1 89 . ARG . 5366 1 90 . ILE . 5366 1 91 . GLY . 5366 1 92 . LEU . 5366 1 93 . GLU . 5366 1 94 . ARG . 5366 1 95 . PHE . 5366 1 96 . LEU . 5366 1 97 . ASN . 5366 1 98 . GLU . 5366 1 99 . LEU . 5366 1 100 . TYR . 5366 1 101 . ASN . 5366 1 102 . ASP . 5366 1 103 . ARG . 5366 1 104 . PHE . 5366 1 105 . ASP . 5366 1 106 . SER . 5366 1 107 . ARG . 5366 1 108 . TRP . 5366 1 109 . ARG . 5366 1 110 . ASP . 5366 1 111 . THR . 5366 1 112 . LYS . 5366 1 113 . ILE . 5366 1 114 . ALA . 5366 1 115 . GLN . 5366 1 116 . ASP . 5366 1 117 . PHE . 5366 1 118 . LEU . 5366 1 119 . GLN . 5366 1 120 . LEU . 5366 1 121 . SER . 5366 1 122 . LYS . 5366 1 123 . PRO . 5366 1 124 . ASN . 5366 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 . LYS 1 1 5366 1 . MET 2 2 5366 1 . SER 3 3 5366 1 . GLU 4 4 5366 1 . LYS 5 5 5366 1 . LEU 6 6 5366 1 . ARG 7 7 5366 1 . LYS 8 8 5366 1 . MET 9 9 5366 1 . SER 10 10 5366 1 . GLU 11 11 5366 1 . LYS 12 12 5366 1 . LEU 13 13 5366 1 . ARG 14 14 5366 1 . ILE 15 15 5366 1 . LYS 16 16 5366 1 . VAL 17 17 5366 1 . ASP 18 18 5366 1 . ASP 19 19 5366 1 . VAL 20 20 5366 1 . LYS 21 21 5366 1 . ILE 22 22 5366 1 . ASN 23 23 5366 1 . PRO 24 24 5366 1 . LYS 25 25 5366 1 . TYR 26 26 5366 1 . VAL 27 27 5366 1 . LEU 28 28 5366 1 . TYR 29 29 5366 1 . GLY 30 30 5366 1 . VAL 31 31 5366 1 . SER 32 32 5366 1 . THR 33 33 5366 1 . PRO 34 34 5366 1 . ASN 35 35 5366 1 . LYS 36 36 5366 1 . ARG 37 37 5366 1 . LEU 38 38 5366 1 . TYR 39 39 5366 1 . LYS 40 40 5366 1 . ARG 41 41 5366 1 . TYR 42 42 5366 1 . SER 43 43 5366 1 . GLU 44 44 5366 1 . PHE 45 45 5366 1 . TRP 46 46 5366 1 . LYS 47 47 5366 1 . LEU 48 48 5366 1 . LYS 49 49 5366 1 . THR 50 50 5366 1 . ARG 51 51 5366 1 . LEU 52 52 5366 1 . GLU 53 53 5366 1 . ARG 54 54 5366 1 . ASP 55 55 5366 1 . VAL 56 56 5366 1 . GLY 57 57 5366 1 . SER 58 58 5366 1 . THR 59 59 5366 1 . ILE 60 60 5366 1 . PRO 61 61 5366 1 . TYR 62 62 5366 1 . ASP 63 63 5366 1 . PHE 64 64 5366 1 . PRO 65 65 5366 1 . GLU 66 66 5366 1 . LYS 67 67 5366 1 . PRO 68 68 5366 1 . GLY 69 69 5366 1 . VAL 70 70 5366 1 . LEU 71 71 5366 1 . ASP 72 72 5366 1 . ARG 73 73 5366 1 . ARG 74 74 5366 1 . TRP 75 75 5366 1 . GLN 76 76 5366 1 . ARG 77 77 5366 1 . ARG 78 78 5366 1 . TYR 79 79 5366 1 . ASP 80 80 5366 1 . ASP 81 81 5366 1 . PRO 82 82 5366 1 . GLU 83 83 5366 1 . MET 84 84 5366 1 . ILE 85 85 5366 1 . ASP 86 86 5366 1 . GLU 87 87 5366 1 . ARG 88 88 5366 1 . ARG 89 89 5366 1 . ILE 90 90 5366 1 . GLY 91 91 5366 1 . LEU 92 92 5366 1 . GLU 93 93 5366 1 . ARG 94 94 5366 1 . PHE 95 95 5366 1 . LEU 96 96 5366 1 . ASN 97 97 5366 1 . GLU 98 98 5366 1 . LEU 99 99 5366 1 . TYR 100 100 5366 1 . ASN 101 101 5366 1 . ASP 102 102 5366 1 . ARG 103 103 5366 1 . PHE 104 104 5366 1 . ASP 105 105 5366 1 . SER 106 106 5366 1 . ARG 107 107 5366 1 . TRP 108 108 5366 1 . ARG 109 109 5366 1 . ASP 110 110 5366 1 . THR 111 111 5366 1 . LYS 112 112 5366 1 . ILE 113 113 5366 1 . ALA 114 114 5366 1 . GLN 115 115 5366 1 . ASP 116 116 5366 1 . PHE 117 117 5366 1 . LEU 118 118 5366 1 . GLN 119 119 5366 1 . LEU 120 120 5366 1 . SER 121 121 5366 1 . LYS 122 122 5366 1 . PRO 123 123 5366 1 . ASN 124 124 5366 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 5366 _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 $Vam7P . 4932 . . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota . Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 5366 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 5366 _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 $Vam7P . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5366 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5366 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 vam7p [U-15N] . . 1 $Vam7P . . 0.5 . . mM . . . . 5366 1 2 'Mes buffer' . . . . . . . 20 . . mM . . . . 5366 1 3 H2O . . . . . . . 90 . . % . . . . 5366 1 4 D2O . . . . . . . 10 . . % . . . . 5366 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5366 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 vam7p '[U-15N; U-13C]' . . 1 $Vam7P . . 0.5 . . mM . . . . 5366 2 2 'Mes buffer' . . . . . . . 20 . . mM . . . . 5366 2 3 H2O . . . . . . . 90 . . % . . . . 5366 2 4 D2O . . . . . . . 10 . . % . . . . 5366 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5366 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 vam7p [U-15N] . . 1 $Vam7P . . 0.5 . . mM . . . . 5366 3 2 'Mes buffer' . . . . . . . 20 . . mM . . . . 5366 3 3 D2O . . . . . . . 100 . . % . . . . 5366 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 5366 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 vam7p '[U-10% 13C]' . . 1 $Vam7P . . 0.5 . . mM . . . . 5366 4 2 'Mes buffer' . . . . . . . 20 . . mM . . . . 5366 4 3 H2O . . . . . . . 90 . . % . . . . 5366 4 4 D2O . . . . . . . 10 . . % . . . . 5366 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5366 _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' 20 . mM 5366 1 pH 6.2 0.2 n/a 5366 1 pressure 1 . atm 5366 1 temperature 298 1 K 5366 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5366 _Software.ID 1 _Software.Name NMRPipe _Software.Version 1.8 _Software.Details 'DeLaglio, F. et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5366 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 5366 _Software.ID 2 _Software.Name VNMR _Software.Version 6.1 _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5366 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5366 _Software.ID 3 _Software.Name NMRView _Software.Version 4.1.2 _Software.Details 'Johnson, B. and Blevins R.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5366 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 5366 _Software.ID 4 _Software.Name CNS _Software.Version 1.0 _Software.Details 'Brunger, A.T. et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5366 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5366 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5366 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 5366 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 5366 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5366 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5366 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5366 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5366 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5366 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5366 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5366 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5366 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5366 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5366 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 8 8 LYS N N 15 123.503 0.15 . 1 . . . . . . . . 5366 1 2 . 1 1 8 8 LYS H H 1 8.366 0.03 . 1 . . . . . . . . 5366 1 3 . 1 1 8 8 LYS CA C 13 56.563 0.12 . 1 . . . . . . . . 5366 1 4 . 1 1 8 8 LYS HA H 1 4.275 0.03 . 1 . . . . . . . . 5366 1 5 . 1 1 8 8 LYS CB C 13 33.449 0.12 . 1 . . . . . . . . 5366 1 6 . 1 1 8 8 LYS HB2 H 1 1.790 0.03 . 1 . . . . . . . . 5366 1 7 . 1 1 8 8 LYS HB3 H 1 1.790 0.03 . 1 . . . . . . . . 5366 1 8 . 1 1 8 8 LYS CG C 13 25.126 0.12 . 1 . . . . . . . . 5366 1 9 . 1 1 8 8 LYS HG2 H 1 1.431 0.03 . 2 . . . . . . . . 5366 1 10 . 1 1 8 8 LYS HG3 H 1 1.382 0.03 . 2 . . . . . . . . 5366 1 11 . 1 1 8 8 LYS CD C 13 29.405 0.12 . 1 . . . . . . . . 5366 1 12 . 1 1 8 8 LYS HD2 H 1 1.620 0.03 . 1 . . . . . . . . 5366 1 13 . 1 1 8 8 LYS HD3 H 1 1.620 0.03 . 1 . . . . . . . . 5366 1 14 . 1 1 8 8 LYS CE C 13 42.441 0.12 . 1 . . . . . . . . 5366 1 15 . 1 1 8 8 LYS HE2 H 1 2.960 0.03 . 1 . . . . . . . . 5366 1 16 . 1 1 8 8 LYS HE3 H 1 2.960 0.03 . 1 . . . . . . . . 5366 1 17 . 1 1 8 8 LYS C C 13 174.577 0.12 . 1 . . . . . . . . 5366 1 18 . 1 1 9 9 MET N N 15 122.457 0.15 . 1 . . . . . . . . 5366 1 19 . 1 1 9 9 MET H H 1 8.503 0.03 . 1 . . . . . . . . 5366 1 20 . 1 1 9 9 MET CA C 13 55.884 0.12 . 1 . . . . . . . . 5366 1 21 . 1 1 9 9 MET HA H 1 4.463 0.03 . 1 . . . . . . . . 5366 1 22 . 1 1 9 9 MET CB C 13 33.311 0.12 . 1 . . . . . . . . 5366 1 23 . 1 1 9 9 MET HB2 H 1 2.065 0.03 . 2 . . . . . . . . 5366 1 24 . 1 1 9 9 MET HB3 H 1 1.985 0.03 . 2 . . . . . . . . 5366 1 25 . 1 1 9 9 MET CG C 13 32.565 0.12 . 1 . . . . . . . . 5366 1 26 . 1 1 9 9 MET HG2 H 1 2.592 0.03 . 2 . . . . . . . . 5366 1 27 . 1 1 9 9 MET HG3 H 1 2.520 0.03 . 2 . . . . . . . . 5366 1 28 . 1 1 9 9 MET CE C 13 17.481 0.12 . 1 . . . . . . . . 5366 1 29 . 1 1 9 9 MET HE1 H 1 2.072 0.03 . 1 . . . . . . . . 5366 1 30 . 1 1 9 9 MET HE2 H 1 2.072 0.03 . 1 . . . . . . . . 5366 1 31 . 1 1 9 9 MET HE3 H 1 2.072 0.03 . 1 . . . . . . . . 5366 1 32 . 1 1 9 9 MET C C 13 174.210 0.12 . 1 . . . . . . . . 5366 1 33 . 1 1 10 10 SER N N 15 117.245 0.15 . 1 . . . . . . . . 5366 1 34 . 1 1 10 10 SER H H 1 8.349 0.03 . 1 . . . . . . . . 5366 1 35 . 1 1 10 10 SER CA C 13 58.636 0.12 . 1 . . . . . . . . 5366 1 36 . 1 1 10 10 SER HA H 1 4.408 0.03 . 1 . . . . . . . . 5366 1 37 . 1 1 10 10 SER CB C 13 64.194 0.12 . 1 . . . . . . . . 5366 1 38 . 1 1 10 10 SER HB2 H 1 3.840 0.03 . 1 . . . . . . . . 5366 1 39 . 1 1 10 10 SER HB3 H 1 3.840 0.03 . 1 . . . . . . . . 5366 1 40 . 1 1 10 10 SER C C 13 172.247 0.12 . 1 . . . . . . . . 5366 1 41 . 1 1 11 11 GLU N N 15 123.041 0.15 . 1 . . . . . . . . 5366 1 42 . 1 1 11 11 GLU H H 1 8.376 0.03 . 1 . . . . . . . . 5366 1 43 . 1 1 11 11 GLU CA C 13 56.442 0.12 . 1 . . . . . . . . 5366 1 44 . 1 1 11 11 GLU HA H 1 4.273 0.03 . 1 . . . . . . . . 5366 1 45 . 1 1 11 11 GLU CB C 13 30.977 0.12 . 1 . . . . . . . . 5366 1 46 . 1 1 11 11 GLU HB2 H 1 2.009 0.03 . 2 . . . . . . . . 5366 1 47 . 1 1 11 11 GLU HB3 H 1 1.909 0.03 . 2 . . . . . . . . 5366 1 48 . 1 1 11 11 GLU CG C 13 36.501 0.12 . 1 . . . . . . . . 5366 1 49 . 1 1 11 11 GLU HG2 H 1 2.230 0.03 . 1 . . . . . . . . 5366 1 50 . 1 1 11 11 GLU HG3 H 1 2.230 0.03 . 1 . . . . . . . . 5366 1 51 . 1 1 11 11 GLU C C 13 174.187 0.12 . 1 . . . . . . . . 5366 1 52 . 1 1 12 12 LYS N N 15 122.908 0.15 . 1 . . . . . . . . 5366 1 53 . 1 1 12 12 LYS H H 1 8.328 0.03 . 1 . . . . . . . . 5366 1 54 . 1 1 12 12 LYS CA C 13 56.908 0.12 . 1 . . . . . . . . 5366 1 55 . 1 1 12 12 LYS HA H 1 4.207 0.03 . 1 . . . . . . . . 5366 1 56 . 1 1 12 12 LYS CB C 13 33.630 0.12 . 1 . . . . . . . . 5366 1 57 . 1 1 12 12 LYS HB2 H 1 1.670 0.03 . 1 . . . . . . . . 5366 1 58 . 1 1 12 12 LYS HB3 H 1 1.670 0.03 . 1 . . . . . . . . 5366 1 59 . 1 1 12 12 LYS CG C 13 25.455 0.12 . 1 . . . . . . . . 5366 1 60 . 1 1 12 12 LYS HG2 H 1 1.382 0.03 . 2 . . . . . . . . 5366 1 61 . 1 1 12 12 LYS HG3 H 1 1.302 0.03 . 2 . . . . . . . . 5366 1 62 . 1 1 12 12 LYS CD C 13 29.537 0.12 . 1 . . . . . . . . 5366 1 63 . 1 1 12 12 LYS HD2 H 1 1.615 0.03 . 1 . . . . . . . . 5366 1 64 . 1 1 12 12 LYS HD3 H 1 1.615 0.03 . 1 . . . . . . . . 5366 1 65 . 1 1 12 12 LYS CE C 13 42.638 0.12 . 1 . . . . . . . . 5366 1 66 . 1 1 12 12 LYS HE2 H 1 2.937 0.03 . 1 . . . . . . . . 5366 1 67 . 1 1 12 12 LYS HE3 H 1 2.937 0.03 . 1 . . . . . . . . 5366 1 68 . 1 1 12 12 LYS C C 13 174.045 0.12 . 1 . . . . . . . . 5366 1 69 . 1 1 13 13 LEU N N 15 126.488 0.15 . 1 . . . . . . . . 5366 1 70 . 1 1 13 13 LEU H H 1 9.122 0.03 . 1 . . . . . . . . 5366 1 71 . 1 1 13 13 LEU CA C 13 54.516 0.12 . 1 . . . . . . . . 5366 1 72 . 1 1 13 13 LEU HA H 1 4.388 0.03 . 1 . . . . . . . . 5366 1 73 . 1 1 13 13 LEU CB C 13 43.628 0.12 . 1 . . . . . . . . 5366 1 74 . 1 1 13 13 LEU HB2 H 1 1.540 0.03 . 2 . . . . . . . . 5366 1 75 . 1 1 13 13 LEU HB3 H 1 1.400 0.03 . 2 . . . . . . . . 5366 1 76 . 1 1 13 13 LEU CG C 13 27.693 0.12 . 1 . . . . . . . . 5366 1 77 . 1 1 13 13 LEU HG H 1 1.350 0.03 . 1 . . . . . . . . 5366 1 78 . 1 1 13 13 LEU CD1 C 13 24.599 0.12 . 1 . . . . . . . . 5366 1 79 . 1 1 13 13 LEU HD11 H 1 0.824 0.03 . 1 . . . . . . . . 5366 1 80 . 1 1 13 13 LEU HD12 H 1 0.824 0.03 . 1 . . . . . . . . 5366 1 81 . 1 1 13 13 LEU HD13 H 1 0.824 0.03 . 1 . . . . . . . . 5366 1 82 . 1 1 13 13 LEU CD2 C 13 25.850 0.12 . 1 . . . . . . . . 5366 1 83 . 1 1 13 13 LEU HD21 H 1 0.690 0.03 . 1 . . . . . . . . 5366 1 84 . 1 1 13 13 LEU HD22 H 1 0.690 0.03 . 1 . . . . . . . . 5366 1 85 . 1 1 13 13 LEU HD23 H 1 0.690 0.03 . 1 . . . . . . . . 5366 1 86 . 1 1 13 13 LEU C C 13 173.146 0.12 . 1 . . . . . . . . 5366 1 87 . 1 1 14 14 ARG N N 15 126.967 0.15 . 1 . . . . . . . . 5366 1 88 . 1 1 14 14 ARG H H 1 8.242 0.03 . 1 . . . . . . . . 5366 1 89 . 1 1 14 14 ARG CA C 13 56.310 0.12 . 1 . . . . . . . . 5366 1 90 . 1 1 14 14 ARG HA H 1 4.303 0.03 . 1 . . . . . . . . 5366 1 91 . 1 1 14 14 ARG CB C 13 30.148 0.12 . 1 . . . . . . . . 5366 1 92 . 1 1 14 14 ARG HB2 H 1 1.690 0.03 . 2 . . . . . . . . 5366 1 93 . 1 1 14 14 ARG HB3 H 1 1.623 0.03 . 2 . . . . . . . . 5366 1 94 . 1 1 14 14 ARG CG C 13 27.693 0.12 . 1 . . . . . . . . 5366 1 95 . 1 1 14 14 ARG HG2 H 1 1.520 0.03 . 2 . . . . . . . . 5366 1 96 . 1 1 14 14 ARG HG3 H 1 1.390 0.03 . 2 . . . . . . . . 5366 1 97 . 1 1 14 14 ARG CD C 13 43.692 0.12 . 1 . . . . . . . . 5366 1 98 . 1 1 14 14 ARG HD2 H 1 3.110 0.03 . 1 . . . . . . . . 5366 1 99 . 1 1 14 14 ARG HD3 H 1 3.110 0.03 . 1 . . . . . . . . 5366 1 100 . 1 1 14 14 ARG C C 13 172.815 0.12 . 1 . . . . . . . . 5366 1 101 . 1 1 15 15 ILE N N 15 127.640 0.15 . 1 . . . . . . . . 5366 1 102 . 1 1 15 15 ILE H H 1 8.297 0.03 . 1 . . . . . . . . 5366 1 103 . 1 1 15 15 ILE CA C 13 60.224 0.12 . 1 . . . . . . . . 5366 1 104 . 1 1 15 15 ILE HA H 1 4.638 0.03 . 1 . . . . . . . . 5366 1 105 . 1 1 15 15 ILE CB C 13 40.432 0.12 . 1 . . . . . . . . 5366 1 106 . 1 1 15 15 ILE HB H 1 1.420 0.03 . 1 . . . . . . . . 5366 1 107 . 1 1 15 15 ILE CG1 C 13 28.747 0.12 . 1 . . . . . . . . 5366 1 108 . 1 1 15 15 ILE HG12 H 1 1.359 0.03 . 2 . . . . . . . . 5366 1 109 . 1 1 15 15 ILE HG13 H 1 0.620 0.03 . 2 . . . . . . . . 5366 1 110 . 1 1 15 15 ILE CD1 C 13 15.843 0.12 . 1 . . . . . . . . 5366 1 111 . 1 1 15 15 ILE HD11 H 1 0.480 0.03 . 1 . . . . . . . . 5366 1 112 . 1 1 15 15 ILE HD12 H 1 0.480 0.03 . 1 . . . . . . . . 5366 1 113 . 1 1 15 15 ILE HD13 H 1 0.480 0.03 . 1 . . . . . . . . 5366 1 114 . 1 1 15 15 ILE CG2 C 13 19.220 0.12 . 1 . . . . . . . . 5366 1 115 . 1 1 15 15 ILE HG21 H 1 0.703 0.03 . 1 . . . . . . . . 5366 1 116 . 1 1 15 15 ILE HG22 H 1 0.703 0.03 . 1 . . . . . . . . 5366 1 117 . 1 1 15 15 ILE HG23 H 1 0.703 0.03 . 1 . . . . . . . . 5366 1 118 . 1 1 15 15 ILE C C 13 173.879 0.12 . 1 . . . . . . . . 5366 1 119 . 1 1 16 16 LYS N N 15 126.513 0.15 . 1 . . . . . . . . 5366 1 120 . 1 1 16 16 LYS H H 1 8.607 0.03 . 1 . . . . . . . . 5366 1 121 . 1 1 16 16 LYS CA C 13 53.992 0.12 . 1 . . . . . . . . 5366 1 122 . 1 1 16 16 LYS HA H 1 4.790 0.03 . 1 . . . . . . . . 5366 1 123 . 1 1 16 16 LYS CB C 13 36.116 0.12 . 1 . . . . . . . . 5366 1 124 . 1 1 16 16 LYS HB2 H 1 1.710 0.03 . 2 . . . . . . . . 5366 1 125 . 1 1 16 16 LYS HB3 H 1 1.550 0.03 . 2 . . . . . . . . 5366 1 126 . 1 1 16 16 LYS CG C 13 24.731 0.12 . 1 . . . . . . . . 5366 1 127 . 1 1 16 16 LYS HG2 H 1 1.300 0.03 . 2 . . . . . . . . 5366 1 128 . 1 1 16 16 LYS HG3 H 1 1.242 0.03 . 2 . . . . . . . . 5366 1 129 . 1 1 16 16 LYS CD C 13 28.944 0.12 . 1 . . . . . . . . 5366 1 130 . 1 1 16 16 LYS HD2 H 1 1.611 0.03 . 1 . . . . . . . . 5366 1 131 . 1 1 16 16 LYS HD3 H 1 1.611 0.03 . 1 . . . . . . . . 5366 1 132 . 1 1 16 16 LYS CE C 13 42.112 0.12 . 1 . . . . . . . . 5366 1 133 . 1 1 16 16 LYS HE2 H 1 2.935 0.03 . 2 . . . . . . . . 5366 1 134 . 1 1 16 16 LYS HE3 H 1 2.847 0.03 . 2 . . . . . . . . 5366 1 135 . 1 1 16 16 LYS C C 13 173.702 0.12 . 1 . . . . . . . . 5366 1 136 . 1 1 17 17 VAL N N 15 125.895 0.15 . 1 . . . . . . . . 5366 1 137 . 1 1 17 17 VAL H H 1 9.906 0.03 . 1 . . . . . . . . 5366 1 138 . 1 1 17 17 VAL CA C 13 61.421 0.12 . 1 . . . . . . . . 5366 1 139 . 1 1 17 17 VAL HA H 1 5.282 0.03 . 1 . . . . . . . . 5366 1 140 . 1 1 17 17 VAL CB C 13 30.644 0.12 . 1 . . . . . . . . 5366 1 141 . 1 1 17 17 VAL HB H 1 2.306 0.03 . 1 . . . . . . . . 5366 1 142 . 1 1 17 17 VAL CG2 C 13 21.138 0.12 . 1 . . . . . . . . 5366 1 143 . 1 1 17 17 VAL HG21 H 1 0.847 0.03 . 1 . . . . . . . . 5366 1 144 . 1 1 17 17 VAL HG22 H 1 0.847 0.03 . 1 . . . . . . . . 5366 1 145 . 1 1 17 17 VAL HG23 H 1 0.847 0.03 . 1 . . . . . . . . 5366 1 146 . 1 1 17 17 VAL CG1 C 13 23.830 0.12 . 1 . . . . . . . . 5366 1 147 . 1 1 17 17 VAL HG11 H 1 1.082 0.03 . 1 . . . . . . . . 5366 1 148 . 1 1 17 17 VAL HG12 H 1 1.082 0.03 . 1 . . . . . . . . 5366 1 149 . 1 1 17 17 VAL HG13 H 1 1.082 0.03 . 1 . . . . . . . . 5366 1 150 . 1 1 17 17 VAL C C 13 173.382 0.12 . 1 . . . . . . . . 5366 1 151 . 1 1 18 18 ASP N N 15 122.046 0.15 . 1 . . . . . . . . 5366 1 152 . 1 1 18 18 ASP H H 1 8.278 0.03 . 1 . . . . . . . . 5366 1 153 . 1 1 18 18 ASP CA C 13 53.651 0.12 . 1 . . . . . . . . 5366 1 154 . 1 1 18 18 ASP HA H 1 4.705 0.03 . 1 . . . . . . . . 5366 1 155 . 1 1 18 18 ASP CB C 13 41.528 0.12 . 1 . . . . . . . . 5366 1 156 . 1 1 18 18 ASP HB2 H 1 2.947 0.03 . 2 . . . . . . . . 5366 1 157 . 1 1 18 18 ASP HB3 H 1 2.382 0.03 . 2 . . . . . . . . 5366 1 158 . 1 1 18 18 ASP C C 13 173.643 0.12 . 1 . . . . . . . . 5366 1 159 . 1 1 19 19 ASP N N 15 116.786 0.15 . 1 . . . . . . . . 5366 1 160 . 1 1 19 19 ASP H H 1 7.809 0.03 . 1 . . . . . . . . 5366 1 161 . 1 1 19 19 ASP CA C 13 54.536 0.12 . 1 . . . . . . . . 5366 1 162 . 1 1 19 19 ASP HA H 1 4.977 0.03 . 1 . . . . . . . . 5366 1 163 . 1 1 19 19 ASP CB C 13 45.273 0.12 . 1 . . . . . . . . 5366 1 164 . 1 1 19 19 ASP HB2 H 1 2.263 0.03 . 2 . . . . . . . . 5366 1 165 . 1 1 19 19 ASP HB3 H 1 2.659 0.03 . 2 . . . . . . . . 5366 1 166 . 1 1 19 19 ASP C C 13 172.117 0.12 . 1 . . . . . . . . 5366 1 167 . 1 1 20 20 VAL N N 15 121.355 0.15 . 1 . . . . . . . . 5366 1 168 . 1 1 20 20 VAL H H 1 7.969 0.03 . 1 . . . . . . . . 5366 1 169 . 1 1 20 20 VAL CA C 13 61.599 0.12 . 1 . . . . . . . . 5366 1 170 . 1 1 20 20 VAL HA H 1 4.827 0.03 . 1 . . . . . . . . 5366 1 171 . 1 1 20 20 VAL CB C 13 35.793 0.12 . 1 . . . . . . . . 5366 1 172 . 1 1 20 20 VAL HB H 1 1.788 0.03 . 1 . . . . . . . . 5366 1 173 . 1 1 20 20 VAL CG2 C 13 20.900 0.12 . 1 . . . . . . . . 5366 1 174 . 1 1 20 20 VAL HG21 H 1 0.795 0.03 . 1 . . . . . . . . 5366 1 175 . 1 1 20 20 VAL HG22 H 1 0.795 0.03 . 1 . . . . . . . . 5366 1 176 . 1 1 20 20 VAL HG23 H 1 0.795 0.03 . 1 . . . . . . . . 5366 1 177 . 1 1 20 20 VAL CG1 C 13 22.080 0.12 . 1 . . . . . . . . 5366 1 178 . 1 1 20 20 VAL HG11 H 1 0.588 0.03 . 1 . . . . . . . . 5366 1 179 . 1 1 20 20 VAL HG12 H 1 0.588 0.03 . 1 . . . . . . . . 5366 1 180 . 1 1 20 20 VAL HG13 H 1 0.588 0.03 . 1 . . . . . . . . 5366 1 181 . 1 1 20 20 VAL C C 13 173.160 0.12 . 1 . . . . . . . . 5366 1 182 . 1 1 21 21 LYS N N 15 125.678 0.15 . 1 . . . . . . . . 5366 1 183 . 1 1 21 21 LYS H H 1 9.073 0.03 . 1 . . . . . . . . 5366 1 184 . 1 1 21 21 LYS CA C 13 54.753 0.12 . 1 . . . . . . . . 5366 1 185 . 1 1 21 21 LYS HA H 1 4.634 0.03 . 1 . . . . . . . . 5366 1 186 . 1 1 21 21 LYS CB C 13 35.504 0.12 . 1 . . . . . . . . 5366 1 187 . 1 1 21 21 LYS HB2 H 1 1.610 0.03 . 2 . . . . . . . . 5366 1 188 . 1 1 21 21 LYS HB3 H 1 1.520 0.03 . 2 . . . . . . . . 5366 1 189 . 1 1 21 21 LYS CG C 13 24.862 0.12 . 1 . . . . . . . . 5366 1 190 . 1 1 21 21 LYS HG2 H 1 1.240 0.03 . 2 . . . . . . . . 5366 1 191 . 1 1 21 21 LYS HG3 H 1 1.140 0.03 . 2 . . . . . . . . 5366 1 192 . 1 1 21 21 LYS CD C 13 29.339 0.12 . 1 . . . . . . . . 5366 1 193 . 1 1 21 21 LYS HD2 H 1 1.420 0.03 . 2 . . . . . . . . 5366 1 194 . 1 1 21 21 LYS HD3 H 1 1.230 0.03 . 2 . . . . . . . . 5366 1 195 . 1 1 21 21 LYS CE C 13 41.980 0.12 . 1 . . . . . . . . 5366 1 196 . 1 1 21 21 LYS HE2 H 1 2.658 0.03 . 2 . . . . . . . . 5366 1 197 . 1 1 21 21 LYS HE3 H 1 2.603 0.03 . 2 . . . . . . . . 5366 1 198 . 1 1 21 21 LYS C C 13 172.767 0.12 . 1 . . . . . . . . 5366 1 199 . 1 1 22 22 ILE N N 15 125.492 0.15 . 1 . . . . . . . . 5366 1 200 . 1 1 22 22 ILE H H 1 8.900 0.03 . 1 . . . . . . . . 5366 1 201 . 1 1 22 22 ILE CA C 13 62.234 0.12 . 1 . . . . . . . . 5366 1 202 . 1 1 22 22 ILE HA H 1 4.148 0.03 . 1 . . . . . . . . 5366 1 203 . 1 1 22 22 ILE CB C 13 38.649 0.12 . 1 . . . . . . . . 5366 1 204 . 1 1 22 22 ILE HB H 1 1.760 0.03 . 1 . . . . . . . . 5366 1 205 . 1 1 22 22 ILE CG1 C 13 28.549 0.12 . 1 . . . . . . . . 5366 1 206 . 1 1 22 22 ILE HG12 H 1 1.460 0.03 . 2 . . . . . . . . 5366 1 207 . 1 1 22 22 ILE HG13 H 1 0.880 0.03 . 2 . . . . . . . . 5366 1 208 . 1 1 22 22 ILE CD1 C 13 13.960 0.12 . 1 . . . . . . . . 5366 1 209 . 1 1 22 22 ILE HD11 H 1 0.739 0.03 . 1 . . . . . . . . 5366 1 210 . 1 1 22 22 ILE HD12 H 1 0.739 0.03 . 1 . . . . . . . . 5366 1 211 . 1 1 22 22 ILE HD13 H 1 0.739 0.03 . 1 . . . . . . . . 5366 1 212 . 1 1 22 22 ILE CG2 C 13 18.608 0.12 . 1 . . . . . . . . 5366 1 213 . 1 1 22 22 ILE HG21 H 1 0.765 0.03 . 1 . . . . . . . . 5366 1 214 . 1 1 22 22 ILE HG22 H 1 0.765 0.03 . 1 . . . . . . . . 5366 1 215 . 1 1 22 22 ILE HG23 H 1 0.765 0.03 . 1 . . . . . . . . 5366 1 216 . 1 1 22 22 ILE C C 13 173.016 0.12 . 1 . . . . . . . . 5366 1 217 . 1 1 23 23 ASN N N 15 128.436 0.15 . 1 . . . . . . . . 5366 1 218 . 1 1 23 23 ASN H H 1 8.177 0.03 . 1 . . . . . . . . 5366 1 219 . 1 1 23 23 ASN CA C 13 51.568 0.12 . 1 . . . . . . . . 5366 1 220 . 1 1 23 23 ASN HA H 1 5.070 0.03 . 1 . . . . . . . . 5366 1 221 . 1 1 23 23 ASN CB C 13 39.500 0.12 . 1 . . . . . . . . 5366 1 222 . 1 1 23 23 ASN HB2 H 1 2.464 0.03 . 2 . . . . . . . . 5366 1 223 . 1 1 23 23 ASN HB3 H 1 2.528 0.03 . 2 . . . . . . . . 5366 1 224 . 1 1 23 23 ASN ND2 N 15 112.825 0.15 . 1 . . . . . . . . 5366 1 225 . 1 1 23 23 ASN HD22 H 1 7.148 0.03 . 2 . . . . . . . . 5366 1 226 . 1 1 23 23 ASN HD21 H 1 5.968 0.03 . 2 . . . . . . . . 5366 1 227 . 1 1 23 23 ASN C C 13 171.200 0.12 . 1 . . . . . . . . 5366 1 228 . 1 1 24 24 PRO CA C 13 65.929 0.12 . 1 . . . . . . . . 5366 1 229 . 1 1 24 24 PRO HA H 1 4.217 0.03 . 1 . . . . . . . . 5366 1 230 . 1 1 24 24 PRO CB C 13 32.762 0.12 . 1 . . . . . . . . 5366 1 231 . 1 1 24 24 PRO HB2 H 1 2.363 0.03 . 2 . . . . . . . . 5366 1 232 . 1 1 24 24 PRO HB3 H 1 1.718 0.03 . 2 . . . . . . . . 5366 1 233 . 1 1 24 24 PRO CG C 13 28.286 0.12 . 1 . . . . . . . . 5366 1 234 . 1 1 24 24 PRO HG2 H 1 2.025 0.03 . 2 . . . . . . . . 5366 1 235 . 1 1 24 24 PRO HG3 H 1 1.910 0.03 . 2 . . . . . . . . 5366 1 236 . 1 1 24 24 PRO CD C 13 51.100 0.12 . 1 . . . . . . . . 5366 1 237 . 1 1 24 24 PRO HD2 H 1 3.732 0.03 . 2 . . . . . . . . 5366 1 238 . 1 1 24 24 PRO HD3 H 1 3.500 0.03 . 2 . . . . . . . . 5366 1 239 . 1 1 24 24 PRO C C 13 174.281 0.12 . 1 . . . . . . . . 5366 1 240 . 1 1 25 25 LYS N N 15 112.287 0.15 . 1 . . . . . . . . 5366 1 241 . 1 1 25 25 LYS H H 1 8.204 0.03 . 1 . . . . . . . . 5366 1 242 . 1 1 25 25 LYS CA C 13 56.227 0.12 . 1 . . . . . . . . 5366 1 243 . 1 1 25 25 LYS HA H 1 4.044 0.03 . 1 . . . . . . . . 5366 1 244 . 1 1 25 25 LYS CB C 13 34.667 0.12 . 1 . . . . . . . . 5366 1 245 . 1 1 25 25 LYS HB2 H 1 1.590 0.03 . 2 . . . . . . . . 5366 1 246 . 1 1 25 25 LYS HB3 H 1 1.770 0.03 . 2 . . . . . . . . 5366 1 247 . 1 1 25 25 LYS CG C 13 25.455 0.12 . 1 . . . . . . . . 5366 1 248 . 1 1 25 25 LYS HG2 H 1 1.310 0.03 . 2 . . . . . . . . 5366 1 249 . 1 1 25 25 LYS HG3 H 1 1.185 0.03 . 2 . . . . . . . . 5366 1 250 . 1 1 25 25 LYS CD C 13 29.076 0.12 . 1 . . . . . . . . 5366 1 251 . 1 1 25 25 LYS HD2 H 1 1.620 0.03 . 1 . . . . . . . . 5366 1 252 . 1 1 25 25 LYS HD3 H 1 1.620 0.03 . 1 . . . . . . . . 5366 1 253 . 1 1 25 25 LYS CE C 13 42.507 0.12 . 1 . . . . . . . . 5366 1 254 . 1 1 25 25 LYS HE2 H 1 2.925 0.03 . 1 . . . . . . . . 5366 1 255 . 1 1 25 25 LYS HE3 H 1 2.925 0.03 . 1 . . . . . . . . 5366 1 256 . 1 1 25 25 LYS C C 13 173.784 0.12 . 1 . . . . . . . . 5366 1 257 . 1 1 26 26 TYR N N 15 114.182 0.15 . 1 . . . . . . . . 5366 1 258 . 1 1 26 26 TYR H H 1 7.303 0.03 . 1 . . . . . . . . 5366 1 259 . 1 1 26 26 TYR CA C 13 56.797 0.12 . 1 . . . . . . . . 5366 1 260 . 1 1 26 26 TYR HA H 1 4.984 0.03 . 1 . . . . . . . . 5366 1 261 . 1 1 26 26 TYR CB C 13 40.306 0.12 . 1 . . . . . . . . 5366 1 262 . 1 1 26 26 TYR HB2 H 1 3.390 0.03 . 2 . . . . . . . . 5366 1 263 . 1 1 26 26 TYR HB3 H 1 2.917 0.03 . 2 . . . . . . . . 5366 1 264 . 1 1 26 26 TYR CD1 C 13 134.260 0.12 . 1 . . . . . . . . 5366 1 265 . 1 1 26 26 TYR HD1 H 1 6.830 0.03 . 1 . . . . . . . . 5366 1 266 . 1 1 26 26 TYR CE1 C 13 117.774 0.12 . 1 . . . . . . . . 5366 1 267 . 1 1 26 26 TYR HE1 H 1 6.690 0.03 . 1 . . . . . . . . 5366 1 268 . 1 1 26 26 TYR CE2 C 13 117.774 0.12 . 1 . . . . . . . . 5366 1 269 . 1 1 26 26 TYR HE2 H 1 6.690 0.03 . 1 . . . . . . . . 5366 1 270 . 1 1 26 26 TYR CD2 C 13 134.260 0.12 . 1 . . . . . . . . 5366 1 271 . 1 1 26 26 TYR HD2 H 1 6.830 0.03 . 1 . . . . . . . . 5366 1 272 . 1 1 26 26 TYR C C 13 170.804 0.12 . 1 . . . . . . . . 5366 1 273 . 1 1 27 27 VAL N N 15 119.462 0.15 . 1 . . . . . . . . 5366 1 274 . 1 1 27 27 VAL H H 1 8.350 0.03 . 1 . . . . . . . . 5366 1 275 . 1 1 27 27 VAL CA C 13 62.103 0.12 . 1 . . . . . . . . 5366 1 276 . 1 1 27 27 VAL HA H 1 4.556 0.03 . 1 . . . . . . . . 5366 1 277 . 1 1 27 27 VAL CB C 13 34.441 0.12 . 1 . . . . . . . . 5366 1 278 . 1 1 27 27 VAL HB H 1 2.030 0.03 . 1 . . . . . . . . 5366 1 279 . 1 1 27 27 VAL CG2 C 13 23.050 0.12 . 1 . . . . . . . . 5366 1 280 . 1 1 27 27 VAL HG21 H 1 0.983 0.03 . 1 . . . . . . . . 5366 1 281 . 1 1 27 27 VAL HG22 H 1 0.983 0.03 . 1 . . . . . . . . 5366 1 282 . 1 1 27 27 VAL HG23 H 1 0.983 0.03 . 1 . . . . . . . . 5366 1 283 . 1 1 27 27 VAL CG1 C 13 21.660 0.12 . 1 . . . . . . . . 5366 1 284 . 1 1 27 27 VAL HG11 H 1 0.439 0.03 . 1 . . . . . . . . 5366 1 285 . 1 1 27 27 VAL HG12 H 1 0.439 0.03 . 1 . . . . . . . . 5366 1 286 . 1 1 27 27 VAL HG13 H 1 0.439 0.03 . 1 . . . . . . . . 5366 1 287 . 1 1 27 27 VAL C C 13 173.843 0.12 . 1 . . . . . . . . 5366 1 288 . 1 1 28 28 LEU N N 15 125.700 0.15 . 1 . . . . . . . . 5366 1 289 . 1 1 28 28 LEU H H 1 9.072 0.03 . 1 . . . . . . . . 5366 1 290 . 1 1 28 28 LEU CA C 13 53.461 0.12 . 1 . . . . . . . . 5366 1 291 . 1 1 28 28 LEU HA H 1 4.943 0.03 . 1 . . . . . . . . 5366 1 292 . 1 1 28 28 LEU CB C 13 46.413 0.12 . 1 . . . . . . . . 5366 1 293 . 1 1 28 28 LEU HB2 H 1 1.458 0.03 . 2 . . . . . . . . 5366 1 294 . 1 1 28 28 LEU HB3 H 1 1.868 0.03 . 2 . . . . . . . . 5366 1 295 . 1 1 28 28 LEU CG C 13 26.800 0.12 . 1 . . . . . . . . 5366 1 296 . 1 1 28 28 LEU HG H 1 1.660 0.03 . 1 . . . . . . . . 5366 1 297 . 1 1 28 28 LEU CD1 C 13 25.989 0.12 . 1 . . . . . . . . 5366 1 298 . 1 1 28 28 LEU HD11 H 1 0.862 0.03 . 1 . . . . . . . . 5366 1 299 . 1 1 28 28 LEU HD12 H 1 0.862 0.03 . 1 . . . . . . . . 5366 1 300 . 1 1 28 28 LEU HD13 H 1 0.862 0.03 . 1 . . . . . . . . 5366 1 301 . 1 1 28 28 LEU CD2 C 13 24.800 0.12 . 1 . . . . . . . . 5366 1 302 . 1 1 28 28 LEU HD21 H 1 0.920 0.03 . 1 . . . . . . . . 5366 1 303 . 1 1 28 28 LEU HD22 H 1 0.920 0.03 . 1 . . . . . . . . 5366 1 304 . 1 1 28 28 LEU HD23 H 1 0.920 0.03 . 1 . . . . . . . . 5366 1 305 . 1 1 28 28 LEU C C 13 172.799 0.12 . 1 . . . . . . . . 5366 1 306 . 1 1 29 29 TYR N N 15 121.897 0.15 . 1 . . . . . . . . 5366 1 307 . 1 1 29 29 TYR H H 1 9.497 0.03 . 1 . . . . . . . . 5366 1 308 . 1 1 29 29 TYR CA C 13 58.494 0.12 . 1 . . . . . . . . 5366 1 309 . 1 1 29 29 TYR HA H 1 4.610 0.03 . 1 . . . . . . . . 5366 1 310 . 1 1 29 29 TYR CB C 13 39.692 0.12 . 1 . . . . . . . . 5366 1 311 . 1 1 29 29 TYR HB2 H 1 3.222 0.03 . 2 . . . . . . . . 5366 1 312 . 1 1 29 29 TYR HB3 H 1 2.771 0.03 . 2 . . . . . . . . 5366 1 313 . 1 1 29 29 TYR CD1 C 13 132.910 0.12 . 1 . . . . . . . . 5366 1 314 . 1 1 29 29 TYR HD1 H 1 7.140 0.03 . 1 . . . . . . . . 5366 1 315 . 1 1 29 29 TYR CE1 C 13 117.365 0.12 . 1 . . . . . . . . 5366 1 316 . 1 1 29 29 TYR HE1 H 1 6.870 0.03 . 1 . . . . . . . . 5366 1 317 . 1 1 29 29 TYR CE2 C 13 117.365 0.12 . 1 . . . . . . . . 5366 1 318 . 1 1 29 29 TYR HE2 H 1 6.870 0.03 . 1 . . . . . . . . 5366 1 319 . 1 1 29 29 TYR CD2 C 13 132.910 0.12 . 1 . . . . . . . . 5366 1 320 . 1 1 29 29 TYR HD2 H 1 7.140 0.03 . 1 . . . . . . . . 5366 1 321 . 1 1 29 29 TYR C C 13 173.419 0.12 . 1 . . . . . . . . 5366 1 322 . 1 1 30 30 GLY N N 15 113.452 0.15 . 1 . . . . . . . . 5366 1 323 . 1 1 30 30 GLY H H 1 9.297 0.03 . 1 . . . . . . . . 5366 1 324 . 1 1 30 30 GLY CA C 13 47.055 0.12 . 1 . . . . . . . . 5366 1 325 . 1 1 30 30 GLY HA2 H 1 3.550 0.03 . 2 . . . . . . . . 5366 1 326 . 1 1 30 30 GLY HA3 H 1 2.626 0.03 . 2 . . . . . . . . 5366 1 327 . 1 1 30 30 GLY C C 13 168.600 0.12 . 1 . . . . . . . . 5366 1 328 . 1 1 31 31 VAL N N 15 125.754 0.15 . 1 . . . . . . . . 5366 1 329 . 1 1 31 31 VAL H H 1 8.951 0.03 . 1 . . . . . . . . 5366 1 330 . 1 1 31 31 VAL CA C 13 61.798 0.12 . 1 . . . . . . . . 5366 1 331 . 1 1 31 31 VAL HA H 1 4.401 0.03 . 1 . . . . . . . . 5366 1 332 . 1 1 31 31 VAL CB C 13 32.960 0.12 . 1 . . . . . . . . 5366 1 333 . 1 1 31 31 VAL HB H 1 2.095 0.03 . 1 . . . . . . . . 5366 1 334 . 1 1 31 31 VAL CG2 C 13 22.120 0.12 . 1 . . . . . . . . 5366 1 335 . 1 1 31 31 VAL HG21 H 1 1.083 0.03 . 1 . . . . . . . . 5366 1 336 . 1 1 31 31 VAL HG22 H 1 1.083 0.03 . 1 . . . . . . . . 5366 1 337 . 1 1 31 31 VAL HG23 H 1 1.083 0.03 . 1 . . . . . . . . 5366 1 338 . 1 1 31 31 VAL CG1 C 13 22.990 0.12 . 1 . . . . . . . . 5366 1 339 . 1 1 31 31 VAL HG11 H 1 0.788 0.03 . 1 . . . . . . . . 5366 1 340 . 1 1 31 31 VAL HG12 H 1 0.788 0.03 . 1 . . . . . . . . 5366 1 341 . 1 1 31 31 VAL HG13 H 1 0.788 0.03 . 1 . . . . . . . . 5366 1 342 . 1 1 31 31 VAL C C 13 173.148 0.12 . 1 . . . . . . . . 5366 1 343 . 1 1 32 32 SER N N 15 124.317 0.15 . 1 . . . . . . . . 5366 1 344 . 1 1 32 32 SER H H 1 9.705 0.03 . 1 . . . . . . . . 5366 1 345 . 1 1 32 32 SER CA C 13 58.041 0.12 . 1 . . . . . . . . 5366 1 346 . 1 1 32 32 SER HA H 1 5.170 0.03 . 1 . . . . . . . . 5366 1 347 . 1 1 32 32 SER CB C 13 64.632 0.12 . 1 . . . . . . . . 5366 1 348 . 1 1 32 32 SER HB2 H 1 3.820 0.03 . 2 . . . . . . . . 5366 1 349 . 1 1 32 32 SER HB3 H 1 3.745 0.03 . 2 . . . . . . . . 5366 1 350 . 1 1 32 32 SER C C 13 172.484 0.12 . 1 . . . . . . . . 5366 1 351 . 1 1 33 33 THR N N 15 117.250 0.15 . 1 . . . . . . . . 5366 1 352 . 1 1 33 33 THR H H 1 8.551 0.03 . 1 . . . . . . . . 5366 1 353 . 1 1 33 33 THR CA C 13 59.633 0.12 . 1 . . . . . . . . 5366 1 354 . 1 1 33 33 THR HA H 1 4.978 0.03 . 1 . . . . . . . . 5366 1 355 . 1 1 33 33 THR CB C 13 68.275 0.12 . 1 . . . . . . . . 5366 1 356 . 1 1 33 33 THR HB H 1 4.543 0.03 . 1 . . . . . . . . 5366 1 357 . 1 1 33 33 THR CG2 C 13 22.520 0.12 . 1 . . . . . . . . 5366 1 358 . 1 1 33 33 THR HG21 H 1 1.102 0.03 . 1 . . . . . . . . 5366 1 359 . 1 1 33 33 THR HG22 H 1 1.102 0.03 . 1 . . . . . . . . 5366 1 360 . 1 1 33 33 THR HG23 H 1 1.102 0.03 . 1 . . . . . . . . 5366 1 361 . 1 1 34 34 PRO CA C 13 66.080 0.12 . 1 . . . . . . . . 5366 1 362 . 1 1 34 34 PRO HA H 1 4.268 0.03 . 1 . . . . . . . . 5366 1 363 . 1 1 34 34 PRO CB C 13 32.160 0.12 . 1 . . . . . . . . 5366 1 364 . 1 1 34 34 PRO HB2 H 1 2.388 0.03 . 2 . . . . . . . . 5366 1 365 . 1 1 34 34 PRO HB3 H 1 1.730 0.03 . 2 . . . . . . . . 5366 1 366 . 1 1 34 34 PRO CG C 13 29.076 0.12 . 1 . . . . . . . . 5366 1 367 . 1 1 34 34 PRO HG2 H 1 2.201 0.03 . 2 . . . . . . . . 5366 1 368 . 1 1 34 34 PRO HG3 H 1 1.981 0.03 . 2 . . . . . . . . 5366 1 369 . 1 1 34 34 PRO CD C 13 50.700 0.12 . 1 . . . . . . . . 5366 1 370 . 1 1 34 34 PRO HD2 H 1 3.990 0.03 . 2 . . . . . . . . 5366 1 371 . 1 1 34 34 PRO HD3 H 1 3.610 0.03 . 2 . . . . . . . . 5366 1 372 . 1 1 34 34 PRO C C 13 174.790 0.12 . 1 . . . . . . . . 5366 1 373 . 1 1 35 35 ASN N N 15 110.465 0.15 . 1 . . . . . . . . 5366 1 374 . 1 1 35 35 ASN H H 1 7.907 0.03 . 1 . . . . . . . . 5366 1 375 . 1 1 35 35 ASN CA C 13 53.729 0.12 . 1 . . . . . . . . 5366 1 376 . 1 1 35 35 ASN HA H 1 4.790 0.03 . 1 . . . . . . . . 5366 1 377 . 1 1 35 35 ASN CB C 13 40.903 0.12 . 1 . . . . . . . . 5366 1 378 . 1 1 35 35 ASN HB2 H 1 2.664 0.03 . 2 . . . . . . . . 5366 1 379 . 1 1 35 35 ASN HB3 H 1 2.783 0.03 . 2 . . . . . . . . 5366 1 380 . 1 1 35 35 ASN ND2 N 15 112.695 0.15 . 1 . . . . . . . . 5366 1 381 . 1 1 35 35 ASN HD22 H 1 6.965 0.03 . 2 . . . . . . . . 5366 1 382 . 1 1 35 35 ASN HD21 H 1 7.578 0.03 . 2 . . . . . . . . 5366 1 383 . 1 1 35 35 ASN C C 13 172.495 0.12 . 1 . . . . . . . . 5366 1 384 . 1 1 36 36 LYS N N 15 118.232 0.15 . 1 . . . . . . . . 5366 1 385 . 1 1 36 36 LYS H H 1 7.567 0.03 . 1 . . . . . . . . 5366 1 386 . 1 1 36 36 LYS CA C 13 56.300 0.12 . 1 . . . . . . . . 5366 1 387 . 1 1 36 36 LYS HA H 1 4.555 0.03 . 1 . . . . . . . . 5366 1 388 . 1 1 36 36 LYS CB C 13 35.870 0.12 . 1 . . . . . . . . 5366 1 389 . 1 1 36 36 LYS HB2 H 1 1.750 0.03 . 2 . . . . . . . . 5366 1 390 . 1 1 36 36 LYS HB3 H 1 1.640 0.03 . 2 . . . . . . . . 5366 1 391 . 1 1 36 36 LYS CG C 13 24.270 0.12 . 1 . . . . . . . . 5366 1 392 . 1 1 36 36 LYS HG2 H 1 1.250 0.03 . 2 . . . . . . . . 5366 1 393 . 1 1 36 36 LYS HG3 H 1 1.192 0.03 . 2 . . . . . . . . 5366 1 394 . 1 1 36 36 LYS CD C 13 29.405 0.12 . 1 . . . . . . . . 5366 1 395 . 1 1 36 36 LYS HD2 H 1 1.620 0.03 . 1 . . . . . . . . 5366 1 396 . 1 1 36 36 LYS HD3 H 1 1.620 0.03 . 1 . . . . . . . . 5366 1 397 . 1 1 36 36 LYS CE C 13 42.375 0.12 . 1 . . . . . . . . 5366 1 398 . 1 1 36 36 LYS HE2 H 1 2.948 0.03 . 1 . . . . . . . . 5366 1 399 . 1 1 36 36 LYS HE3 H 1 2.948 0.03 . 1 . . . . . . . . 5366 1 400 . 1 1 36 36 LYS C C 13 171.595 0.12 . 1 . . . . . . . . 5366 1 401 . 1 1 37 37 ARG N N 15 122.910 0.15 . 1 . . . . . . . . 5366 1 402 . 1 1 37 37 ARG H H 1 8.324 0.03 . 1 . . . . . . . . 5366 1 403 . 1 1 37 37 ARG CA C 13 55.389 0.12 . 1 . . . . . . . . 5366 1 404 . 1 1 37 37 ARG HA H 1 5.200 0.03 . 1 . . . . . . . . 5366 1 405 . 1 1 37 37 ARG CB C 13 32.388 0.12 . 1 . . . . . . . . 5366 1 406 . 1 1 37 37 ARG HB2 H 1 1.718 0.03 . 2 . . . . . . . . 5366 1 407 . 1 1 37 37 ARG HB3 H 1 1.598 0.03 . 2 . . . . . . . . 5366 1 408 . 1 1 37 37 ARG CG C 13 27.891 0.12 . 1 . . . . . . . . 5366 1 409 . 1 1 37 37 ARG HG2 H 1 1.095 0.03 . 2 . . . . . . . . 5366 1 410 . 1 1 37 37 ARG HG3 H 1 0.926 0.03 . 2 . . . . . . . . 5366 1 411 . 1 1 37 37 ARG CD C 13 43.995 0.12 . 1 . . . . . . . . 5366 1 412 . 1 1 37 37 ARG HD2 H 1 3.003 0.03 . 2 . . . . . . . . 5366 1 413 . 1 1 37 37 ARG HD3 H 1 2.850 0.03 . 2 . . . . . . . . 5366 1 414 . 1 1 37 37 ARG NE N 15 124.840 0.15 . 1 . . . . . . . . 5366 1 415 . 1 1 37 37 ARG HE H 1 7.580 0.03 . 1 . . . . . . . . 5366 1 416 . 1 1 37 37 ARG C C 13 172.874 0.12 . 1 . . . . . . . . 5366 1 417 . 1 1 38 38 LEU N N 15 127.475 0.15 . 1 . . . . . . . . 5366 1 418 . 1 1 38 38 LEU H H 1 8.869 0.03 . 1 . . . . . . . . 5366 1 419 . 1 1 38 38 LEU CA C 13 53.575 0.12 . 1 . . . . . . . . 5366 1 420 . 1 1 38 38 LEU HA H 1 4.692 0.03 . 1 . . . . . . . . 5366 1 421 . 1 1 38 38 LEU CB C 13 45.361 0.12 . 1 . . . . . . . . 5366 1 422 . 1 1 38 38 LEU HB2 H 1 1.404 0.03 . 1 . . . . . . . . 5366 1 423 . 1 1 38 38 LEU HB3 H 1 1.404 0.03 . 1 . . . . . . . . 5366 1 424 . 1 1 38 38 LEU CG C 13 27.400 0.12 . 1 . . . . . . . . 5366 1 425 . 1 1 38 38 LEU HG H 1 1.420 0.03 . 1 . . . . . . . . 5366 1 426 . 1 1 38 38 LEU CD1 C 13 26.580 0.12 . 1 . . . . . . . . 5366 1 427 . 1 1 38 38 LEU HD11 H 1 0.668 0.03 . 1 . . . . . . . . 5366 1 428 . 1 1 38 38 LEU HD12 H 1 0.668 0.03 . 1 . . . . . . . . 5366 1 429 . 1 1 38 38 LEU HD13 H 1 0.668 0.03 . 1 . . . . . . . . 5366 1 430 . 1 1 38 38 LEU CD2 C 13 24.467 0.12 . 1 . . . . . . . . 5366 1 431 . 1 1 38 38 LEU HD21 H 1 0.755 0.03 . 1 . . . . . . . . 5366 1 432 . 1 1 38 38 LEU HD22 H 1 0.755 0.03 . 1 . . . . . . . . 5366 1 433 . 1 1 38 38 LEU HD23 H 1 0.755 0.03 . 1 . . . . . . . . 5366 1 434 . 1 1 38 38 LEU C C 13 173.016 0.12 . 1 . . . . . . . . 5366 1 435 . 1 1 39 39 TYR N N 15 120.435 0.15 . 1 . . . . . . . . 5366 1 436 . 1 1 39 39 TYR H H 1 8.831 0.03 . 1 . . . . . . . . 5366 1 437 . 1 1 39 39 TYR CA C 13 58.582 0.12 . 1 . . . . . . . . 5366 1 438 . 1 1 39 39 TYR HA H 1 5.310 0.03 . 1 . . . . . . . . 5366 1 439 . 1 1 39 39 TYR CB C 13 40.210 0.12 . 1 . . . . . . . . 5366 1 440 . 1 1 39 39 TYR HB2 H 1 2.864 0.03 . 2 . . . . . . . . 5366 1 441 . 1 1 39 39 TYR HB3 H 1 2.698 0.03 . 2 . . . . . . . . 5366 1 442 . 1 1 39 39 TYR CD1 C 13 132.770 0.12 . 1 . . . . . . . . 5366 1 443 . 1 1 39 39 TYR HD1 H 1 6.890 0.03 . 1 . . . . . . . . 5366 1 444 . 1 1 39 39 TYR CE1 C 13 117.840 0.12 . 1 . . . . . . . . 5366 1 445 . 1 1 39 39 TYR HE1 H 1 6.620 0.03 . 1 . . . . . . . . 5366 1 446 . 1 1 39 39 TYR HH H 1 5.310 0.03 . 1 . . . . . . . . 5366 1 447 . 1 1 39 39 TYR CE2 C 13 117.840 0.12 . 1 . . . . . . . . 5366 1 448 . 1 1 39 39 TYR HE2 H 1 6.620 0.03 . 1 . . . . . . . . 5366 1 449 . 1 1 39 39 TYR CD2 C 13 132.770 0.12 . 1 . . . . . . . . 5366 1 450 . 1 1 39 39 TYR HD2 H 1 6.890 0.03 . 1 . . . . . . . . 5366 1 451 . 1 1 39 39 TYR C C 13 174.574 0.12 . 1 . . . . . . . . 5366 1 452 . 1 1 40 40 LYS N N 15 122.295 0.15 . 1 . . . . . . . . 5366 1 453 . 1 1 40 40 LYS H H 1 9.118 0.03 . 1 . . . . . . . . 5366 1 454 . 1 1 40 40 LYS CA C 13 53.923 0.12 . 1 . . . . . . . . 5366 1 455 . 1 1 40 40 LYS HA H 1 4.935 0.03 . 1 . . . . . . . . 5366 1 456 . 1 1 40 40 LYS CB C 13 39.215 0.12 . 1 . . . . . . . . 5366 1 457 . 1 1 40 40 LYS HB2 H 1 1.460 0.03 . 2 . . . . . . . . 5366 1 458 . 1 1 40 40 LYS HB3 H 1 1.830 0.03 . 2 . . . . . . . . 5366 1 459 . 1 1 40 40 LYS CG C 13 24.731 0.12 . 1 . . . . . . . . 5366 1 460 . 1 1 40 40 LYS HG2 H 1 1.060 0.03 . 2 . . . . . . . . 5366 1 461 . 1 1 40 40 LYS HG3 H 1 0.720 0.03 . 2 . . . . . . . . 5366 1 462 . 1 1 40 40 LYS CD C 13 30.000 0.12 . 1 . . . . . . . . 5366 1 463 . 1 1 40 40 LYS HD2 H 1 1.330 0.03 . 2 . . . . . . . . 5366 1 464 . 1 1 40 40 LYS HD3 H 1 0.690 0.03 . 2 . . . . . . . . 5366 1 465 . 1 1 40 40 LYS CE C 13 42.000 0.12 . 1 . . . . . . . . 5366 1 466 . 1 1 40 40 LYS HE2 H 1 1.970 0.03 . 2 . . . . . . . . 5366 1 467 . 1 1 40 40 LYS HE3 H 1 1.100 0.03 . 2 . . . . . . . . 5366 1 468 . 1 1 40 40 LYS C C 13 174.825 0.12 . 1 . . . . . . . . 5366 1 469 . 1 1 41 41 ARG N N 15 123.309 0.15 . 1 . . . . . . . . 5366 1 470 . 1 1 41 41 ARG H H 1 9.526 0.03 . 1 . . . . . . . . 5366 1 471 . 1 1 41 41 ARG CA C 13 56.024 0.12 . 1 . . . . . . . . 5366 1 472 . 1 1 41 41 ARG HA H 1 5.302 0.03 . 1 . . . . . . . . 5366 1 473 . 1 1 41 41 ARG CB C 13 32.461 0.12 . 1 . . . . . . . . 5366 1 474 . 1 1 41 41 ARG HB2 H 1 2.472 0.03 . 2 . . . . . . . . 5366 1 475 . 1 1 41 41 ARG HB3 H 1 1.920 0.03 . 2 . . . . . . . . 5366 1 476 . 1 1 41 41 ARG CG C 13 28.220 0.12 . 1 . . . . . . . . 5366 1 477 . 1 1 41 41 ARG HG2 H 1 1.812 0.03 . 2 . . . . . . . . 5366 1 478 . 1 1 41 41 ARG HG3 H 1 1.718 0.03 . 2 . . . . . . . . 5366 1 479 . 1 1 41 41 ARG CD C 13 43.758 0.12 . 1 . . . . . . . . 5366 1 480 . 1 1 41 41 ARG HD2 H 1 2.765 0.03 . 1 . . . . . . . . 5366 1 481 . 1 1 41 41 ARG HD3 H 1 2.765 0.03 . 1 . . . . . . . . 5366 1 482 . 1 1 41 41 ARG C C 13 176.765 0.12 . 1 . . . . . . . . 5366 1 483 . 1 1 42 42 TYR N N 15 124.784 0.15 . 1 . . . . . . . . 5366 1 484 . 1 1 42 42 TYR H H 1 10.479 0.03 . 1 . . . . . . . . 5366 1 485 . 1 1 42 42 TYR CA C 13 63.447 0.12 . 1 . . . . . . . . 5366 1 486 . 1 1 42 42 TYR HA H 1 4.559 0.03 . 1 . . . . . . . . 5366 1 487 . 1 1 42 42 TYR CB C 13 39.121 0.12 . 1 . . . . . . . . 5366 1 488 . 1 1 42 42 TYR HB2 H 1 3.500 0.03 . 2 . . . . . . . . 5366 1 489 . 1 1 42 42 TYR HB3 H 1 3.380 0.03 . 2 . . . . . . . . 5366 1 490 . 1 1 42 42 TYR CD1 C 13 132.400 0.12 . 1 . . . . . . . . 5366 1 491 . 1 1 42 42 TYR HD1 H 1 6.920 0.03 . 1 . . . . . . . . 5366 1 492 . 1 1 42 42 TYR CE1 C 13 117.690 0.12 . 1 . . . . . . . . 5366 1 493 . 1 1 42 42 TYR HE1 H 1 6.500 0.03 . 1 . . . . . . . . 5366 1 494 . 1 1 42 42 TYR CE2 C 13 117.690 0.12 . 1 . . . . . . . . 5366 1 495 . 1 1 42 42 TYR HE2 H 1 6.500 0.03 . 1 . . . . . . . . 5366 1 496 . 1 1 42 42 TYR CD2 C 13 132.400 0.12 . 1 . . . . . . . . 5366 1 497 . 1 1 42 42 TYR HD2 H 1 6.920 0.03 . 1 . . . . . . . . 5366 1 498 . 1 1 42 42 TYR C C 13 176.647 0.12 . 1 . . . . . . . . 5366 1 499 . 1 1 43 43 SER N N 15 112.455 0.15 . 1 . . . . . . . . 5366 1 500 . 1 1 43 43 SER H H 1 9.237 0.03 . 1 . . . . . . . . 5366 1 501 . 1 1 43 43 SER CA C 13 61.528 0.12 . 1 . . . . . . . . 5366 1 502 . 1 1 43 43 SER HA H 1 4.190 0.03 . 1 . . . . . . . . 5366 1 503 . 1 1 43 43 SER CB C 13 62.484 0.12 . 1 . . . . . . . . 5366 1 504 . 1 1 43 43 SER C C 13 175.235 0.12 . 1 . . . . . . . . 5366 1 505 . 1 1 44 44 GLU N N 15 121.118 0.15 . 1 . . . . . . . . 5366 1 506 . 1 1 44 44 GLU H H 1 7.895 0.03 . 1 . . . . . . . . 5366 1 507 . 1 1 44 44 GLU CA C 13 60.195 0.12 . 1 . . . . . . . . 5366 1 508 . 1 1 44 44 GLU HA H 1 4.200 0.03 . 1 . . . . . . . . 5366 1 509 . 1 1 44 44 GLU CB C 13 30.247 0.12 . 1 . . . . . . . . 5366 1 510 . 1 1 44 44 GLU HB2 H 1 2.480 0.03 . 2 . . . . . . . . 5366 1 511 . 1 1 44 44 GLU HB3 H 1 2.242 0.03 . 2 . . . . . . . . 5366 1 512 . 1 1 44 44 GLU C C 13 178.150 0.12 . 1 . . . . . . . . 5366 1 513 . 1 1 45 45 PHE N N 15 119.234 0.15 . 1 . . . . . . . . 5366 1 514 . 1 1 45 45 PHE H H 1 8.117 0.03 . 1 . . . . . . . . 5366 1 515 . 1 1 45 45 PHE CA C 13 61.816 0.12 . 1 . . . . . . . . 5366 1 516 . 1 1 45 45 PHE HA H 1 4.227 0.03 . 1 . . . . . . . . 5366 1 517 . 1 1 45 45 PHE CB C 13 39.083 0.12 . 1 . . . . . . . . 5366 1 518 . 1 1 45 45 PHE HB2 H 1 3.370 0.03 . 2 . . . . . . . . 5366 1 519 . 1 1 45 45 PHE HB3 H 1 2.920 0.03 . 2 . . . . . . . . 5366 1 520 . 1 1 45 45 PHE CD1 C 13 133.215 0.12 . 1 . . . . . . . . 5366 1 521 . 1 1 45 45 PHE HD1 H 1 7.580 0.03 . 1 . . . . . . . . 5366 1 522 . 1 1 45 45 PHE CE1 C 13 131.922 0.12 . 1 . . . . . . . . 5366 1 523 . 1 1 45 45 PHE HE1 H 1 7.440 0.03 . 1 . . . . . . . . 5366 1 524 . 1 1 45 45 PHE CZ C 13 129.310 0.12 . 1 . . . . . . . . 5366 1 525 . 1 1 45 45 PHE HZ H 1 7.150 0.03 . 1 . . . . . . . . 5366 1 526 . 1 1 45 45 PHE CE2 C 13 131.922 0.12 . 1 . . . . . . . . 5366 1 527 . 1 1 45 45 PHE HE2 H 1 7.440 0.03 . 1 . . . . . . . . 5366 1 528 . 1 1 45 45 PHE CD2 C 13 133.215 0.12 . 1 . . . . . . . . 5366 1 529 . 1 1 45 45 PHE HD2 H 1 7.580 0.03 . 1 . . . . . . . . 5366 1 530 . 1 1 45 45 PHE C C 13 174.825 0.12 . 1 . . . . . . . . 5366 1 531 . 1 1 46 46 TRP N N 15 119.973 0.15 . 1 . . . . . . . . 5366 1 532 . 1 1 46 46 TRP H H 1 7.741 0.03 . 1 . . . . . . . . 5366 1 533 . 1 1 46 46 TRP CA C 13 60.737 0.12 . 1 . . . . . . . . 5366 1 534 . 1 1 46 46 TRP HA H 1 3.782 0.03 . 1 . . . . . . . . 5366 1 535 . 1 1 46 46 TRP CB C 13 29.407 0.12 . 1 . . . . . . . . 5366 1 536 . 1 1 46 46 TRP HB2 H 1 3.223 0.03 . 2 . . . . . . . . 5366 1 537 . 1 1 46 46 TRP HB3 H 1 2.870 0.03 . 2 . . . . . . . . 5366 1 538 . 1 1 46 46 TRP CD1 C 13 126.763 0.12 . 1 . . . . . . . . 5366 1 539 . 1 1 46 46 TRP HD1 H 1 7.020 0.03 . 1 . . . . . . . . 5366 1 540 . 1 1 46 46 TRP NE1 N 15 129.597 0.15 . 1 . . . . . . . . 5366 1 541 . 1 1 46 46 TRP HE1 H 1 10.050 0.03 . 1 . . . . . . . . 5366 1 542 . 1 1 46 46 TRP CZ2 C 13 115.096 0.12 . 1 . . . . . . . . 5366 1 543 . 1 1 46 46 TRP HZ2 H 1 7.400 0.03 . 1 . . . . . . . . 5366 1 544 . 1 1 46 46 TRP CH2 C 13 124.550 0.12 . 1 . . . . . . . . 5366 1 545 . 1 1 46 46 TRP HH2 H 1 7.080 0.03 . 1 . . . . . . . . 5366 1 546 . 1 1 46 46 TRP CZ3 C 13 121.664 0.12 . 1 . . . . . . . . 5366 1 547 . 1 1 46 46 TRP HZ3 H 1 6.888 0.03 . 1 . . . . . . . . 5366 1 548 . 1 1 46 46 TRP CE3 C 13 120.371 0.12 . 1 . . . . . . . . 5366 1 549 . 1 1 46 46 TRP HE3 H 1 7.100 0.03 . 1 . . . . . . . . 5366 1 550 . 1 1 46 46 TRP C C 13 175.964 0.12 . 1 . . . . . . . . 5366 1 551 . 1 1 47 47 LYS N N 15 119.188 0.15 . 1 . . . . . . . . 5366 1 552 . 1 1 47 47 LYS H H 1 8.316 0.03 . 1 . . . . . . . . 5366 1 553 . 1 1 47 47 LYS CA C 13 59.605 0.12 . 1 . . . . . . . . 5366 1 554 . 1 1 47 47 LYS HA H 1 3.823 0.03 . 1 . . . . . . . . 5366 1 555 . 1 1 47 47 LYS CB C 13 32.627 0.12 . 1 . . . . . . . . 5366 1 556 . 1 1 47 47 LYS HB2 H 1 1.944 0.03 . 2 . . . . . . . . 5366 1 557 . 1 1 47 47 LYS HB3 H 1 1.840 0.03 . 2 . . . . . . . . 5366 1 558 . 1 1 47 47 LYS CG C 13 26.047 0.12 . 1 . . . . . . . . 5366 1 559 . 1 1 47 47 LYS HG2 H 1 1.650 0.03 . 2 . . . . . . . . 5366 1 560 . 1 1 47 47 LYS HG3 H 1 1.466 0.03 . 2 . . . . . . . . 5366 1 561 . 1 1 47 47 LYS CD C 13 29.800 0.12 . 1 . . . . . . . . 5366 1 562 . 1 1 47 47 LYS HD2 H 1 1.720 0.03 . 2 . . . . . . . . 5366 1 563 . 1 1 47 47 LYS HD3 H 1 1.670 0.03 . 2 . . . . . . . . 5366 1 564 . 1 1 47 47 LYS CE C 13 42.441 0.12 . 1 . . . . . . . . 5366 1 565 . 1 1 47 47 LYS HE2 H 1 2.973 0.03 . 1 . . . . . . . . 5366 1 566 . 1 1 47 47 LYS HE3 H 1 2.973 0.03 . 1 . . . . . . . . 5366 1 567 . 1 1 47 47 LYS C C 13 176.079 0.12 . 1 . . . . . . . . 5366 1 568 . 1 1 48 48 LEU N N 15 120.170 0.15 . 1 . . . . . . . . 5366 1 569 . 1 1 48 48 LEU H H 1 7.240 0.03 . 1 . . . . . . . . 5366 1 570 . 1 1 48 48 LEU CA C 13 58.856 0.12 . 1 . . . . . . . . 5366 1 571 . 1 1 48 48 LEU HA H 1 3.901 0.03 . 1 . . . . . . . . 5366 1 572 . 1 1 48 48 LEU CB C 13 40.890 0.12 . 1 . . . . . . . . 5366 1 573 . 1 1 48 48 LEU HB2 H 1 1.868 0.03 . 2 . . . . . . . . 5366 1 574 . 1 1 48 48 LEU HB3 H 1 1.070 0.03 . 2 . . . . . . . . 5366 1 575 . 1 1 48 48 LEU CG C 13 26.900 0.12 . 1 . . . . . . . . 5366 1 576 . 1 1 48 48 LEU HG H 1 1.150 0.03 . 1 . . . . . . . . 5366 1 577 . 1 1 48 48 LEU CD1 C 13 23.550 0.12 . 1 . . . . . . . . 5366 1 578 . 1 1 48 48 LEU HD11 H 1 0.530 0.03 . 1 . . . . . . . . 5366 1 579 . 1 1 48 48 LEU HD12 H 1 0.530 0.03 . 1 . . . . . . . . 5366 1 580 . 1 1 48 48 LEU HD13 H 1 0.530 0.03 . 1 . . . . . . . . 5366 1 581 . 1 1 48 48 LEU CD2 C 13 24.430 0.12 . 1 . . . . . . . . 5366 1 582 . 1 1 48 48 LEU HD21 H 1 0.025 0.03 . 1 . . . . . . . . 5366 1 583 . 1 1 48 48 LEU HD22 H 1 0.025 0.03 . 1 . . . . . . . . 5366 1 584 . 1 1 48 48 LEU HD23 H 1 0.025 0.03 . 1 . . . . . . . . 5366 1 585 . 1 1 48 48 LEU C C 13 174.849 0.12 . 1 . . . . . . . . 5366 1 586 . 1 1 49 49 LYS N N 15 117.887 0.15 . 1 . . . . . . . . 5366 1 587 . 1 1 49 49 LYS H H 1 7.384 0.03 . 1 . . . . . . . . 5366 1 588 . 1 1 49 49 LYS CA C 13 60.969 0.12 . 1 . . . . . . . . 5366 1 589 . 1 1 49 49 LYS HA H 1 3.506 0.03 . 1 . . . . . . . . 5366 1 590 . 1 1 49 49 LYS CB C 13 32.413 0.12 . 1 . . . . . . . . 5366 1 591 . 1 1 49 49 LYS HB2 H 1 1.210 0.03 . 2 . . . . . . . . 5366 1 592 . 1 1 49 49 LYS HB3 H 1 1.100 0.03 . 2 . . . . . . . . 5366 1 593 . 1 1 49 49 LYS CG C 13 24.731 0.12 . 1 . . . . . . . . 5366 1 594 . 1 1 49 49 LYS HG2 H 1 0.760 0.03 . 2 . . . . . . . . 5366 1 595 . 1 1 49 49 LYS HG3 H 1 0.720 0.03 . 2 . . . . . . . . 5366 1 596 . 1 1 49 49 LYS CD C 13 29.142 0.12 . 1 . . . . . . . . 5366 1 597 . 1 1 49 49 LYS HD2 H 1 0.500 0.03 . 2 . . . . . . . . 5366 1 598 . 1 1 49 49 LYS HD3 H 1 0.450 0.03 . 2 . . . . . . . . 5366 1 599 . 1 1 49 49 LYS CE C 13 42.046 0.12 . 1 . . . . . . . . 5366 1 600 . 1 1 49 49 LYS HE2 H 1 2.290 0.03 . 1 . . . . . . . . 5366 1 601 . 1 1 49 49 LYS HE3 H 1 2.290 0.03 . 1 . . . . . . . . 5366 1 602 . 1 1 49 49 LYS C C 13 175.286 0.12 . 1 . . . . . . . . 5366 1 603 . 1 1 50 50 THR N N 15 130.830 0.15 . 1 . . . . . . . . 5366 1 604 . 1 1 50 50 THR H H 1 7.893 0.03 . 1 . . . . . . . . 5366 1 605 . 1 1 50 50 THR CA C 13 65.793 0.12 . 1 . . . . . . . . 5366 1 606 . 1 1 50 50 THR HA H 1 3.772 0.03 . 1 . . . . . . . . 5366 1 607 . 1 1 50 50 THR CB C 13 69.135 0.12 . 1 . . . . . . . . 5366 1 608 . 1 1 50 50 THR HB H 1 3.870 0.03 . 1 . . . . . . . . 5366 1 609 . 1 1 50 50 THR CG2 C 13 21.702 0.12 . 1 . . . . . . . . 5366 1 610 . 1 1 50 50 THR HG21 H 1 0.755 0.03 . 1 . . . . . . . . 5366 1 611 . 1 1 50 50 THR HG22 H 1 0.755 0.03 . 1 . . . . . . . . 5366 1 612 . 1 1 50 50 THR HG23 H 1 0.755 0.03 . 1 . . . . . . . . 5366 1 613 . 1 1 50 50 THR C C 13 175.700 0.12 . 1 . . . . . . . . 5366 1 614 . 1 1 51 51 ARG N N 15 123.327 0.15 . 1 . . . . . . . . 5366 1 615 . 1 1 51 51 ARG H H 1 8.487 0.03 . 1 . . . . . . . . 5366 1 616 . 1 1 51 51 ARG CA C 13 59.468 0.12 . 1 . . . . . . . . 5366 1 617 . 1 1 51 51 ARG HA H 1 4.010 0.03 . 1 . . . . . . . . 5366 1 618 . 1 1 51 51 ARG CB C 13 30.265 0.12 . 1 . . . . . . . . 5366 1 619 . 1 1 51 51 ARG HB2 H 1 1.900 0.03 . 1 . . . . . . . . 5366 1 620 . 1 1 51 51 ARG HB3 H 1 1.900 0.03 . 1 . . . . . . . . 5366 1 621 . 1 1 51 51 ARG CG C 13 28.220 0.12 . 1 . . . . . . . . 5366 1 622 . 1 1 51 51 ARG HG2 H 1 1.810 0.03 . 2 . . . . . . . . 5366 1 623 . 1 1 51 51 ARG HG3 H 1 1.650 0.03 . 2 . . . . . . . . 5366 1 624 . 1 1 51 51 ARG CD C 13 43.560 0.12 . 1 . . . . . . . . 5366 1 625 . 1 1 51 51 ARG HD2 H 1 3.190 0.03 . 2 . . . . . . . . 5366 1 626 . 1 1 51 51 ARG HD3 H 1 3.100 0.03 . 2 . . . . . . . . 5366 1 627 . 1 1 51 51 ARG C C 13 177.238 0.12 . 1 . . . . . . . . 5366 1 628 . 1 1 52 52 LEU N N 15 119.809 0.15 . 1 . . . . . . . . 5366 1 629 . 1 1 52 52 LEU H H 1 8.620 0.03 . 1 . . . . . . . . 5366 1 630 . 1 1 52 52 LEU CA C 13 58.791 0.12 . 1 . . . . . . . . 5366 1 631 . 1 1 52 52 LEU HA H 1 4.118 0.03 . 1 . . . . . . . . 5366 1 632 . 1 1 52 52 LEU CB C 13 42.507 0.12 . 1 . . . . . . . . 5366 1 633 . 1 1 52 52 LEU HB2 H 1 2.383 0.03 . 2 . . . . . . . . 5366 1 634 . 1 1 52 52 LEU HB3 H 1 1.755 0.03 . 2 . . . . . . . . 5366 1 635 . 1 1 52 52 LEU CG C 13 27.200 0.12 . 1 . . . . . . . . 5366 1 636 . 1 1 52 52 LEU HG H 1 2.000 0.03 . 1 . . . . . . . . 5366 1 637 . 1 1 52 52 LEU CD1 C 13 27.957 0.12 . 1 . . . . . . . . 5366 1 638 . 1 1 52 52 LEU HD11 H 1 0.880 0.03 . 1 . . . . . . . . 5366 1 639 . 1 1 52 52 LEU HD12 H 1 0.880 0.03 . 1 . . . . . . . . 5366 1 640 . 1 1 52 52 LEU HD13 H 1 0.880 0.03 . 1 . . . . . . . . 5366 1 641 . 1 1 52 52 LEU CD2 C 13 26.113 0.12 . 1 . . . . . . . . 5366 1 642 . 1 1 52 52 LEU HD21 H 1 1.115 0.03 . 1 . . . . . . . . 5366 1 643 . 1 1 52 52 LEU HD22 H 1 1.115 0.03 . 1 . . . . . . . . 5366 1 644 . 1 1 52 52 LEU HD23 H 1 1.115 0.03 . 1 . . . . . . . . 5366 1 645 . 1 1 52 52 LEU C C 13 176.883 0.12 . 1 . . . . . . . . 5366 1 646 . 1 1 53 53 GLU N N 15 116.958 0.15 . 1 . . . . . . . . 5366 1 647 . 1 1 53 53 GLU H H 1 8.007 0.03 . 1 . . . . . . . . 5366 1 648 . 1 1 53 53 GLU CA C 13 60.646 0.12 . 1 . . . . . . . . 5366 1 649 . 1 1 53 53 GLU HA H 1 4.476 0.03 . 1 . . . . . . . . 5366 1 650 . 1 1 53 53 GLU CB C 13 29.704 0.12 . 1 . . . . . . . . 5366 1 651 . 1 1 53 53 GLU HB2 H 1 2.088 0.03 . 2 . . . . . . . . 5366 1 652 . 1 1 53 53 GLU HB3 H 1 1.898 0.03 . 2 . . . . . . . . 5366 1 653 . 1 1 53 53 GLU CG C 13 38.300 0.12 . 1 . . . . . . . . 5366 1 654 . 1 1 53 53 GLU HG2 H 1 2.800 0.03 . 2 . . . . . . . . 5366 1 655 . 1 1 53 53 GLU HG3 H 1 2.640 0.03 . 2 . . . . . . . . 5366 1 656 . 1 1 53 53 GLU C C 13 178.527 0.12 . 1 . . . . . . . . 5366 1 657 . 1 1 54 54 ARG N N 15 119.813 0.15 . 1 . . . . . . . . 5366 1 658 . 1 1 54 54 ARG H H 1 7.754 0.03 . 1 . . . . . . . . 5366 1 659 . 1 1 54 54 ARG CA C 13 58.880 0.12 . 1 . . . . . . . . 5366 1 660 . 1 1 54 54 ARG HA H 1 4.062 0.03 . 1 . . . . . . . . 5366 1 661 . 1 1 54 54 ARG CB C 13 30.388 0.12 . 1 . . . . . . . . 5366 1 662 . 1 1 54 54 ARG HB2 H 1 1.980 0.03 . 2 . . . . . . . . 5366 1 663 . 1 1 54 54 ARG HB3 H 1 1.915 0.03 . 2 . . . . . . . . 5366 1 664 . 1 1 54 54 ARG CG C 13 27.364 0.12 . 1 . . . . . . . . 5366 1 665 . 1 1 54 54 ARG HG2 H 1 1.780 0.03 . 2 . . . . . . . . 5366 1 666 . 1 1 54 54 ARG HG3 H 1 1.650 0.03 . 2 . . . . . . . . 5366 1 667 . 1 1 54 54 ARG CD C 13 43.692 0.12 . 1 . . . . . . . . 5366 1 668 . 1 1 54 54 ARG HD2 H 1 3.178 0.03 . 1 . . . . . . . . 5366 1 669 . 1 1 54 54 ARG HD3 H 1 3.178 0.03 . 1 . . . . . . . . 5366 1 670 . 1 1 54 54 ARG C C 13 176.019 0.12 . 1 . . . . . . . . 5366 1 671 . 1 1 55 55 ASP N N 15 120.180 0.15 . 1 . . . . . . . . 5366 1 672 . 1 1 55 55 ASP H H 1 8.344 0.03 . 1 . . . . . . . . 5366 1 673 . 1 1 55 55 ASP CA C 13 57.746 0.12 . 1 . . . . . . . . 5366 1 674 . 1 1 55 55 ASP HA H 1 4.364 0.03 . 1 . . . . . . . . 5366 1 675 . 1 1 55 55 ASP CB C 13 42.178 0.12 . 1 . . . . . . . . 5366 1 676 . 1 1 55 55 ASP HB2 H 1 2.680 0.03 . 2 . . . . . . . . 5366 1 677 . 1 1 55 55 ASP HB3 H 1 2.640 0.03 . 2 . . . . . . . . 5366 1 678 . 1 1 55 55 ASP C C 13 176.197 0.12 . 1 . . . . . . . . 5366 1 679 . 1 1 56 56 VAL N N 15 118.524 0.15 . 1 . . . . . . . . 5366 1 680 . 1 1 56 56 VAL H H 1 8.665 0.03 . 1 . . . . . . . . 5366 1 681 . 1 1 56 56 VAL CA C 13 64.523 0.12 . 1 . . . . . . . . 5366 1 682 . 1 1 56 56 VAL HA H 1 3.555 0.03 . 1 . . . . . . . . 5366 1 683 . 1 1 56 56 VAL CB C 13 32.205 0.12 . 1 . . . . . . . . 5366 1 684 . 1 1 56 56 VAL HB H 1 1.625 0.03 . 1 . . . . . . . . 5366 1 685 . 1 1 56 56 VAL CG2 C 13 23.122 0.12 . 1 . . . . . . . . 5366 1 686 . 1 1 56 56 VAL HG21 H 1 0.338 0.03 . 1 . . . . . . . . 5366 1 687 . 1 1 56 56 VAL HG22 H 1 0.338 0.03 . 1 . . . . . . . . 5366 1 688 . 1 1 56 56 VAL HG23 H 1 0.338 0.03 . 1 . . . . . . . . 5366 1 689 . 1 1 56 56 VAL CG1 C 13 21.495 0.12 . 1 . . . . . . . . 5366 1 690 . 1 1 56 56 VAL HG11 H 1 -0.105 0.03 . 1 . . . . . . . . 5366 1 691 . 1 1 56 56 VAL HG12 H 1 -0.105 0.03 . 1 . . . . . . . . 5366 1 692 . 1 1 56 56 VAL HG13 H 1 -0.105 0.03 . 1 . . . . . . . . 5366 1 693 . 1 1 56 56 VAL C C 13 175.752 0.12 . 1 . . . . . . . . 5366 1 694 . 1 1 57 57 GLY N N 15 107.39 0.15 . 1 . . . . . . . . 5366 1 695 . 1 1 57 57 GLY H H 1 7.755 0.03 . 1 . . . . . . . . 5366 1 696 . 1 1 57 57 GLY CA C 13 46.181 0.12 . 1 . . . . . . . . 5366 1 697 . 1 1 57 57 GLY HA2 H 1 4.094 0.03 . 2 . . . . . . . . 5366 1 698 . 1 1 57 57 GLY HA3 H 1 3.744 0.03 . 2 . . . . . . . . 5366 1 699 . 1 1 57 57 GLY C C 13 172.247 0.12 . 1 . . . . . . . . 5366 1 700 . 1 1 58 58 SER N N 15 112.664 0.15 . 1 . . . . . . . . 5366 1 701 . 1 1 58 58 SER H H 1 7.443 0.03 . 1 . . . . . . . . 5366 1 702 . 1 1 58 58 SER CA C 13 57.082 0.12 . 1 . . . . . . . . 5366 1 703 . 1 1 58 58 SER HA H 1 4.728 0.03 . 1 . . . . . . . . 5366 1 704 . 1 1 58 58 SER CB C 13 66.211 0.12 . 1 . . . . . . . . 5366 1 705 . 1 1 58 58 SER HB2 H 1 3.875 0.03 . 2 . . . . . . . . 5366 1 706 . 1 1 58 58 SER HB3 H 1 3.722 0.03 . 2 . . . . . . . . 5366 1 707 . 1 1 58 58 SER C C 13 170.270 0.12 . 1 . . . . . . . . 5366 1 708 . 1 1 59 59 THR N N 15 115.632 0.15 . 1 . . . . . . . . 5366 1 709 . 1 1 59 59 THR H H 1 8.108 0.03 . 1 . . . . . . . . 5366 1 710 . 1 1 59 59 THR CA C 13 62.785 0.12 . 1 . . . . . . . . 5366 1 711 . 1 1 59 59 THR HA H 1 4.112 0.03 . 1 . . . . . . . . 5366 1 712 . 1 1 59 59 THR CB C 13 69.700 0.12 . 1 . . . . . . . . 5366 1 713 . 1 1 59 59 THR HB H 1 3.884 0.03 . 1 . . . . . . . . 5366 1 714 . 1 1 59 59 THR CG2 C 13 22.380 0.12 . 1 . . . . . . . . 5366 1 715 . 1 1 59 59 THR HG21 H 1 1.180 0.03 . 1 . . . . . . . . 5366 1 716 . 1 1 59 59 THR HG22 H 1 1.180 0.03 . 1 . . . . . . . . 5366 1 717 . 1 1 59 59 THR HG23 H 1 1.180 0.03 . 1 . . . . . . . . 5366 1 718 . 1 1 59 59 THR C C 13 172.614 0.12 . 1 . . . . . . . . 5366 1 719 . 1 1 60 60 ILE N N 15 130.351 0.15 . 1 . . . . . . . . 5366 1 720 . 1 1 60 60 ILE H H 1 9.829 0.03 . 1 . . . . . . . . 5366 1 721 . 1 1 60 60 ILE CA C 13 59.629 0.12 . 1 . . . . . . . . 5366 1 722 . 1 1 60 60 ILE HA H 1 3.380 0.03 . 1 . . . . . . . . 5366 1 723 . 1 1 60 60 ILE CB C 13 39.960 0.12 . 1 . . . . . . . . 5366 1 724 . 1 1 60 60 ILE HB H 1 1.287 0.03 . 1 . . . . . . . . 5366 1 725 . 1 1 60 60 ILE CG1 C 13 29.800 0.12 . 1 . . . . . . . . 5366 1 726 . 1 1 60 60 ILE HG12 H 1 0.340 0.03 . 2 . . . . . . . . 5366 1 727 . 1 1 60 60 ILE HG13 H 1 0.160 0.03 . 2 . . . . . . . . 5366 1 728 . 1 1 60 60 ILE CD1 C 13 16.040 0.12 . 1 . . . . . . . . 5366 1 729 . 1 1 60 60 ILE HD11 H 1 0.730 0.03 . 1 . . . . . . . . 5366 1 730 . 1 1 60 60 ILE HD12 H 1 0.730 0.03 . 1 . . . . . . . . 5366 1 731 . 1 1 60 60 ILE HD13 H 1 0.730 0.03 . 1 . . . . . . . . 5366 1 732 . 1 1 60 60 ILE CG2 C 13 18.060 0.12 . 1 . . . . . . . . 5366 1 733 . 1 1 60 60 ILE HG21 H 1 0.750 0.03 . 1 . . . . . . . . 5366 1 734 . 1 1 60 60 ILE HG22 H 1 0.750 0.03 . 1 . . . . . . . . 5366 1 735 . 1 1 60 60 ILE HG23 H 1 0.750 0.03 . 1 . . . . . . . . 5366 1 736 . 1 1 60 60 ILE C C 13 173.300 0.12 . 1 . . . . . . . . 5366 1 737 . 1 1 61 61 PRO CA C 13 63.509 0.12 . 1 . . . . . . . . 5366 1 738 . 1 1 61 61 PRO HA H 1 4.275 0.03 . 1 . . . . . . . . 5366 1 739 . 1 1 61 61 PRO CB C 13 31.512 0.12 . 1 . . . . . . . . 5366 1 740 . 1 1 61 61 PRO HB2 H 1 1.862 0.03 . 2 . . . . . . . . 5366 1 741 . 1 1 61 61 PRO HB3 H 1 1.580 0.03 . 2 . . . . . . . . 5366 1 742 . 1 1 61 61 PRO CG C 13 26.311 0.12 . 1 . . . . . . . . 5366 1 743 . 1 1 61 61 PRO HG2 H 1 1.730 0.03 . 2 . . . . . . . . 5366 1 744 . 1 1 61 61 PRO HG3 H 1 0.498 0.03 . 2 . . . . . . . . 5366 1 745 . 1 1 61 61 PRO CD C 13 51.700 0.12 . 1 . . . . . . . . 5366 1 746 . 1 1 61 61 PRO HD2 H 1 3.170 0.03 . 1 . . . . . . . . 5366 1 747 . 1 1 61 61 PRO HD3 H 1 3.170 0.03 . 1 . . . . . . . . 5366 1 748 . 1 1 61 61 PRO C C 13 173.702 0.12 . 1 . . . . . . . . 5366 1 749 . 1 1 62 62 TYR N N 15 119.266 0.15 . 1 . . . . . . . . 5366 1 750 . 1 1 62 62 TYR H H 1 5.626 0.03 . 1 . . . . . . . . 5366 1 751 . 1 1 62 62 TYR CA C 13 55.169 0.12 . 1 . . . . . . . . 5366 1 752 . 1 1 62 62 TYR HA H 1 4.700 0.03 . 1 . . . . . . . . 5366 1 753 . 1 1 62 62 TYR CB C 13 39.993 0.12 . 1 . . . . . . . . 5366 1 754 . 1 1 62 62 TYR HB2 H 1 3.521 0.03 . 2 . . . . . . . . 5366 1 755 . 1 1 62 62 TYR HB3 H 1 2.405 0.03 . 2 . . . . . . . . 5366 1 756 . 1 1 62 62 TYR CD1 C 13 132.219 0.12 . 1 . . . . . . . . 5366 1 757 . 1 1 62 62 TYR HD1 H 1 6.590 0.03 . 1 . . . . . . . . 5366 1 758 . 1 1 62 62 TYR CE1 C 13 118.190 0.12 . 1 . . . . . . . . 5366 1 759 . 1 1 62 62 TYR HE1 H 1 6.460 0.03 . 1 . . . . . . . . 5366 1 760 . 1 1 62 62 TYR CE2 C 13 118.190 0.12 . 1 . . . . . . . . 5366 1 761 . 1 1 62 62 TYR HE2 H 1 6.460 0.03 . 1 . . . . . . . . 5366 1 762 . 1 1 62 62 TYR CD2 C 13 132.219 0.12 . 1 . . . . . . . . 5366 1 763 . 1 1 62 62 TYR HD2 H 1 6.590 0.03 . 1 . . . . . . . . 5366 1 764 . 1 1 62 62 TYR C C 13 173.160 0.12 . 1 . . . . . . . . 5366 1 765 . 1 1 63 63 ASP N N 15 122.850 0.15 . 1 . . . . . . . . 5366 1 766 . 1 1 63 63 ASP H H 1 9.138 0.03 . 1 . . . . . . . . 5366 1 767 . 1 1 63 63 ASP CA C 13 55.629 0.12 . 1 . . . . . . . . 5366 1 768 . 1 1 63 63 ASP HA H 1 4.441 0.03 . 1 . . . . . . . . 5366 1 769 . 1 1 63 63 ASP CB C 13 41.339 0.12 . 1 . . . . . . . . 5366 1 770 . 1 1 63 63 ASP HB2 H 1 2.620 0.03 . 1 . . . . . . . . 5366 1 771 . 1 1 63 63 ASP HB3 H 1 2.620 0.03 . 1 . . . . . . . . 5366 1 772 . 1 1 63 63 ASP C C 13 172.696 0.12 . 1 . . . . . . . . 5366 1 773 . 1 1 64 64 PHE N N 15 125.560 0.15 . 1 . . . . . . . . 5366 1 774 . 1 1 64 64 PHE H H 1 8.376 0.03 . 1 . . . . . . . . 5366 1 775 . 1 1 64 64 PHE CA C 13 55.941 0.12 . 1 . . . . . . . . 5366 1 776 . 1 1 64 64 PHE HA H 1 4.410 0.03 . 1 . . . . . . . . 5366 1 777 . 1 1 64 64 PHE CB C 13 42.747 0.12 . 1 . . . . . . . . 5366 1 778 . 1 1 64 64 PHE HB2 H 1 2.920 0.03 . 2 . . . . . . . . 5366 1 779 . 1 1 64 64 PHE HB3 H 1 2.510 0.03 . 2 . . . . . . . . 5366 1 780 . 1 1 64 64 PHE CD1 C 13 131.590 0.12 . 1 . . . . . . . . 5366 1 781 . 1 1 64 64 PHE HD1 H 1 6.170 0.03 . 1 . . . . . . . . 5366 1 782 . 1 1 64 64 PHE CE1 C 13 131.270 0.12 . 1 . . . . . . . . 5366 1 783 . 1 1 64 64 PHE HE1 H 1 6.730 0.03 . 1 . . . . . . . . 5366 1 784 . 1 1 64 64 PHE CZ C 13 128.221 0.12 . 1 . . . . . . . . 5366 1 785 . 1 1 64 64 PHE HZ H 1 6.460 0.03 . 1 . . . . . . . . 5366 1 786 . 1 1 64 64 PHE CE2 C 13 131.270 0.12 . 1 . . . . . . . . 5366 1 787 . 1 1 64 64 PHE HE2 H 1 6.730 0.03 . 1 . . . . . . . . 5366 1 788 . 1 1 64 64 PHE CD2 C 13 131.590 0.12 . 1 . . . . . . . . 5366 1 789 . 1 1 64 64 PHE HD2 H 1 6.170 0.03 . 1 . . . . . . . . 5366 1 790 . 1 1 64 64 PHE C C 13 172.300 0.12 . 1 . . . . . . . . 5366 1 791 . 1 1 65 65 PRO CA C 13 63.509 0.12 . 1 . . . . . . . . 5366 1 792 . 1 1 65 65 PRO HA H 1 4.418 0.03 . 1 . . . . . . . . 5366 1 793 . 1 1 65 65 PRO CB C 13 30.788 0.12 . 1 . . . . . . . . 5366 1 794 . 1 1 65 65 PRO HB2 H 1 1.960 0.03 . 2 . . . . . . . . 5366 1 795 . 1 1 65 65 PRO HB3 H 1 1.900 0.03 . 2 . . . . . . . . 5366 1 796 . 1 1 65 65 PRO CG C 13 27.759 0.12 . 1 . . . . . . . . 5366 1 797 . 1 1 65 65 PRO HG2 H 1 1.382 0.03 . 1 . . . . . . . . 5366 1 798 . 1 1 65 65 PRO HG3 H 1 1.382 0.03 . 1 . . . . . . . . 5366 1 799 . 1 1 65 65 PRO CD C 13 49.450 0.12 . 1 . . . . . . . . 5366 1 800 . 1 1 65 65 PRO HD2 H 1 2.750 0.03 . 2 . . . . . . . . 5366 1 801 . 1 1 65 65 PRO HD3 H 1 1.530 0.03 . 2 . . . . . . . . 5366 1 802 . 1 1 65 65 PRO C C 13 172.465 0.12 . 1 . . . . . . . . 5366 1 803 . 1 1 66 66 GLU N N 15 122.582 0.15 . 1 . . . . . . . . 5366 1 804 . 1 1 66 66 GLU H H 1 7.953 0.03 . 1 . . . . . . . . 5366 1 805 . 1 1 66 66 GLU CA C 13 56.530 0.12 . 1 . . . . . . . . 5366 1 806 . 1 1 66 66 GLU HA H 1 4.348 0.03 . 1 . . . . . . . . 5366 1 807 . 1 1 66 66 GLU CB C 13 31.775 0.12 . 1 . . . . . . . . 5366 1 808 . 1 1 66 66 GLU HB2 H 1 2.047 0.03 . 2 . . . . . . . . 5366 1 809 . 1 1 66 66 GLU HB3 H 1 1.977 0.03 . 2 . . . . . . . . 5366 1 810 . 1 1 66 66 GLU CG C 13 36.318 0.12 . 1 . . . . . . . . 5366 1 811 . 1 1 66 66 GLU HG2 H 1 2.232 0.03 . 1 . . . . . . . . 5366 1 812 . 1 1 66 66 GLU HG3 H 1 2.232 0.03 . 1 . . . . . . . . 5366 1 813 . 1 1 66 66 GLU C C 13 173.502 0.12 . 1 . . . . . . . . 5366 1 814 . 1 1 67 67 LYS N N 15 124.535 0.15 . 1 . . . . . . . . 5366 1 815 . 1 1 67 67 LYS H H 1 8.530 0.03 . 1 . . . . . . . . 5366 1 816 . 1 1 67 67 LYS CA C 13 54.540 0.12 . 1 . . . . . . . . 5366 1 817 . 1 1 67 67 LYS HA H 1 4.430 0.03 . 1 . . . . . . . . 5366 1 818 . 1 1 67 67 LYS CB C 13 32.950 0.12 . 1 . . . . . . . . 5366 1 819 . 1 1 67 67 LYS HB2 H 1 1.710 0.03 . 2 . . . . . . . . 5366 1 820 . 1 1 67 67 LYS HB3 H 1 1.605 0.03 . 2 . . . . . . . . 5366 1 821 . 1 1 67 67 LYS CG C 13 24.800 0.12 . 1 . . . . . . . . 5366 1 822 . 1 1 67 67 LYS HG2 H 1 1.320 0.03 . 1 . . . . . . . . 5366 1 823 . 1 1 67 67 LYS HG3 H 1 1.320 0.03 . 1 . . . . . . . . 5366 1 824 . 1 1 67 67 LYS CD C 13 29.500 0.12 . 1 . . . . . . . . 5366 1 825 . 1 1 67 67 LYS HD2 H 1 1.580 0.03 . 1 . . . . . . . . 5366 1 826 . 1 1 67 67 LYS HD3 H 1 1.580 0.03 . 1 . . . . . . . . 5366 1 827 . 1 1 67 67 LYS CE C 13 42.100 0.12 . 1 . . . . . . . . 5366 1 828 . 1 1 67 67 LYS HE2 H 1 2.830 0.03 . 1 . . . . . . . . 5366 1 829 . 1 1 67 67 LYS HE3 H 1 2.830 0.03 . 1 . . . . . . . . 5366 1 830 . 1 1 67 67 LYS C C 13 172.300 0.12 . 1 . . . . . . . . 5366 1 831 . 1 1 68 68 PRO CA C 13 63.638 0.12 . 1 . . . . . . . . 5366 1 832 . 1 1 68 68 PRO HA H 1 4.350 0.03 . 1 . . . . . . . . 5366 1 833 . 1 1 68 68 PRO CB C 13 32.414 0.12 . 1 . . . . . . . . 5366 1 834 . 1 1 68 68 PRO HB2 H 1 2.200 0.03 . 2 . . . . . . . . 5366 1 835 . 1 1 68 68 PRO HB3 H 1 1.837 0.03 . 2 . . . . . . . . 5366 1 836 . 1 1 68 68 PRO CG C 13 27.825 0.12 . 1 . . . . . . . . 5366 1 837 . 1 1 68 68 PRO HG2 H 1 1.880 0.03 . 2 . . . . . . . . 5366 1 838 . 1 1 68 68 PRO HG3 H 1 1.810 0.03 . 2 . . . . . . . . 5366 1 839 . 1 1 68 68 PRO CD C 13 50.736 0.12 . 1 . . . . . . . . 5366 1 840 . 1 1 68 68 PRO HD2 H 1 3.618 0.03 . 2 . . . . . . . . 5366 1 841 . 1 1 68 68 PRO HD3 H 1 3.374 0.03 . 2 . . . . . . . . 5366 1 842 . 1 1 68 68 PRO C C 13 175.345 0.12 . 1 . . . . . . . . 5366 1 843 . 1 1 69 69 GLY N N 15 109.77 0.15 . 1 . . . . . . . . 5366 1 844 . 1 1 69 69 GLY H H 1 8.603 0.03 . 1 . . . . . . . . 5366 1 845 . 1 1 69 69 GLY CA C 13 45.642 0.12 . 1 . . . . . . . . 5366 1 846 . 1 1 69 69 GLY HA2 H 1 3.927 0.03 . 1 . . . . . . . . 5366 1 847 . 1 1 69 69 GLY HA3 H 1 3.927 0.03 . 1 . . . . . . . . 5366 1 848 . 1 1 69 69 GLY C C 13 172.401 0.12 . 1 . . . . . . . . 5366 1 849 . 1 1 70 70 VAL N N 15 118.266 0.15 . 1 . . . . . . . . 5366 1 850 . 1 1 70 70 VAL H H 1 7.771 0.03 . 1 . . . . . . . . 5366 1 851 . 1 1 70 70 VAL CA C 13 63.127 0.12 . 1 . . . . . . . . 5366 1 852 . 1 1 70 70 VAL HA H 1 3.864 0.03 . 1 . . . . . . . . 5366 1 853 . 1 1 70 70 VAL CB C 13 32.755 0.12 . 1 . . . . . . . . 5366 1 854 . 1 1 70 70 VAL HB H 1 1.968 0.03 . 1 . . . . . . . . 5366 1 855 . 1 1 70 70 VAL CG2 C 13 20.958 0.12 . 1 . . . . . . . . 5366 1 856 . 1 1 70 70 VAL HG21 H 1 0.822 0.03 . 1 . . . . . . . . 5366 1 857 . 1 1 70 70 VAL HG22 H 1 0.822 0.03 . 1 . . . . . . . . 5366 1 858 . 1 1 70 70 VAL HG23 H 1 0.822 0.03 . 1 . . . . . . . . 5366 1 859 . 1 1 70 70 VAL CG1 C 13 21.437 0.12 . 1 . . . . . . . . 5366 1 860 . 1 1 70 70 VAL HG11 H 1 0.822 0.03 . 1 . . . . . . . . 5366 1 861 . 1 1 70 70 VAL HG12 H 1 0.822 0.03 . 1 . . . . . . . . 5366 1 862 . 1 1 70 70 VAL HG13 H 1 0.822 0.03 . 1 . . . . . . . . 5366 1 863 . 1 1 70 70 VAL C C 13 174.326 0.12 . 1 . . . . . . . . 5366 1 864 . 1 1 71 71 LEU N N 15 123.828 0.15 . 1 . . . . . . . . 5366 1 865 . 1 1 71 71 LEU H H 1 8.280 0.03 . 1 . . . . . . . . 5366 1 866 . 1 1 71 71 LEU CA C 13 55.523 0.12 . 1 . . . . . . . . 5366 1 867 . 1 1 71 71 LEU HA H 1 4.283 0.03 . 1 . . . . . . . . 5366 1 868 . 1 1 71 71 LEU CB C 13 42.175 0.12 . 1 . . . . . . . . 5366 1 869 . 1 1 71 71 LEU HB2 H 1 1.600 0.03 . 2 . . . . . . . . 5366 1 870 . 1 1 71 71 LEU HB3 H 1 1.540 0.03 . 2 . . . . . . . . 5366 1 871 . 1 1 71 71 LEU CG C 13 27.364 0.12 . 1 . . . . . . . . 5366 1 872 . 1 1 71 71 LEU HG H 1 1.530 0.03 . 1 . . . . . . . . 5366 1 873 . 1 1 71 71 LEU CD1 C 13 25.323 0.12 . 1 . . . . . . . . 5366 1 874 . 1 1 71 71 LEU HD11 H 1 0.848 0.03 . 1 . . . . . . . . 5366 1 875 . 1 1 71 71 LEU HD12 H 1 0.848 0.03 . 1 . . . . . . . . 5366 1 876 . 1 1 71 71 LEU HD13 H 1 0.848 0.03 . 1 . . . . . . . . 5366 1 877 . 1 1 71 71 LEU CD2 C 13 23.743 0.12 . 1 . . . . . . . . 5366 1 878 . 1 1 71 71 LEU HD21 H 1 0.778 0.03 . 1 . . . . . . . . 5366 1 879 . 1 1 71 71 LEU HD22 H 1 0.778 0.03 . 1 . . . . . . . . 5366 1 880 . 1 1 71 71 LEU HD23 H 1 0.778 0.03 . 1 . . . . . . . . 5366 1 881 . 1 1 71 71 LEU C C 13 174.813 0.12 . 1 . . . . . . . . 5366 1 882 . 1 1 72 72 ASP N N 15 121.783 0.15 . 1 . . . . . . . . 5366 1 883 . 1 1 72 72 ASP H H 1 8.079 0.03 . 1 . . . . . . . . 5366 1 884 . 1 1 72 72 ASP CA C 13 54.444 0.12 . 1 . . . . . . . . 5366 1 885 . 1 1 72 72 ASP HA H 1 4.541 0.03 . 1 . . . . . . . . 5366 1 886 . 1 1 72 72 ASP CB C 13 42.466 0.12 . 1 . . . . . . . . 5366 1 887 . 1 1 72 72 ASP HB2 H 1 2.779 0.03 . 2 . . . . . . . . 5366 1 888 . 1 1 72 72 ASP HB3 H 1 2.613 0.03 . 2 . . . . . . . . 5366 1 889 . 1 1 72 72 ASP C C 13 174.896 0.12 . 1 . . . . . . . . 5366 1 890 . 1 1 73 73 ARG N N 15 123.128 0.15 . 1 . . . . . . . . 5366 1 891 . 1 1 73 73 ARG H H 1 8.472 0.03 . 1 . . . . . . . . 5366 1 892 . 1 1 73 73 ARG CA C 13 57.805 0.12 . 1 . . . . . . . . 5366 1 893 . 1 1 73 73 ARG HA H 1 4.114 0.03 . 1 . . . . . . . . 5366 1 894 . 1 1 73 73 ARG CB C 13 30.219 0.12 . 1 . . . . . . . . 5366 1 895 . 1 1 73 73 ARG HB2 H 1 1.810 0.03 . 2 . . . . . . . . 5366 1 896 . 1 1 73 73 ARG HB3 H 1 1.740 0.03 . 2 . . . . . . . . 5366 1 897 . 1 1 73 73 ARG CG C 13 27.496 0.12 . 1 . . . . . . . . 5366 1 898 . 1 1 73 73 ARG HG2 H 1 1.600 0.03 . 1 . . . . . . . . 5366 1 899 . 1 1 73 73 ARG HG3 H 1 1.600 0.03 . 1 . . . . . . . . 5366 1 900 . 1 1 73 73 ARG CD C 13 43.560 0.12 . 1 . . . . . . . . 5366 1 901 . 1 1 73 73 ARG HD2 H 1 3.140 0.03 . 1 . . . . . . . . 5366 1 902 . 1 1 73 73 ARG HD3 H 1 3.140 0.03 . 1 . . . . . . . . 5366 1 903 . 1 1 73 73 ARG C C 13 175.381 0.12 . 1 . . . . . . . . 5366 1 904 . 1 1 74 74 ARG N N 15 119.831 0.15 . 1 . . . . . . . . 5366 1 905 . 1 1 74 74 ARG H H 1 8.483 0.03 . 1 . . . . . . . . 5366 1 906 . 1 1 74 74 ARG CA C 13 57.979 0.12 . 1 . . . . . . . . 5366 1 907 . 1 1 74 74 ARG HA H 1 4.002 0.03 . 1 . . . . . . . . 5366 1 908 . 1 1 74 74 ARG CB C 13 30.313 0.12 . 1 . . . . . . . . 5366 1 909 . 1 1 74 74 ARG HB2 H 1 1.420 0.03 . 1 . . . . . . . . 5366 1 910 . 1 1 74 74 ARG HB3 H 1 1.420 0.03 . 1 . . . . . . . . 5366 1 911 . 1 1 74 74 ARG CG C 13 27.232 0.12 . 1 . . . . . . . . 5366 1 912 . 1 1 74 74 ARG HG2 H 1 1.300 0.03 . 1 . . . . . . . . 5366 1 913 . 1 1 74 74 ARG HG3 H 1 1.300 0.03 . 1 . . . . . . . . 5366 1 914 . 1 1 74 74 ARG CD C 13 43.758 0.12 . 1 . . . . . . . . 5366 1 915 . 1 1 74 74 ARG HD2 H 1 3.020 0.03 . 2 . . . . . . . . 5366 1 916 . 1 1 74 74 ARG HD3 H 1 2.900 0.03 . 2 . . . . . . . . 5366 1 917 . 1 1 74 74 ARG C C 13 174.979 0.12 . 1 . . . . . . . . 5366 1 918 . 1 1 75 75 TRP N N 15 118.812 0.15 . 1 . . . . . . . . 5366 1 919 . 1 1 75 75 TRP H H 1 7.721 0.03 . 1 . . . . . . . . 5366 1 920 . 1 1 75 75 TRP CA C 13 57.327 0.12 . 1 . . . . . . . . 5366 1 921 . 1 1 75 75 TRP HA H 1 4.720 0.03 . 1 . . . . . . . . 5366 1 922 . 1 1 75 75 TRP CB C 13 29.802 0.12 . 1 . . . . . . . . 5366 1 923 . 1 1 75 75 TRP HB2 H 1 3.380 0.03 . 2 . . . . . . . . 5366 1 924 . 1 1 75 75 TRP HB3 H 1 3.230 0.03 . 2 . . . . . . . . 5366 1 925 . 1 1 75 75 TRP CD1 C 13 127.490 0.12 . 1 . . . . . . . . 5366 1 926 . 1 1 75 75 TRP HD1 H 1 7.240 0.03 . 1 . . . . . . . . 5366 1 927 . 1 1 75 75 TRP NE1 N 15 129.149 0.15 . 1 . . . . . . . . 5366 1 928 . 1 1 75 75 TRP HE1 H 1 10.070 0.03 . 1 . . . . . . . . 5366 1 929 . 1 1 75 75 TRP CZ2 C 13 114.720 0.12 . 1 . . . . . . . . 5366 1 930 . 1 1 75 75 TRP HZ2 H 1 7.410 0.03 . 1 . . . . . . . . 5366 1 931 . 1 1 75 75 TRP CH2 C 13 124.540 0.12 . 1 . . . . . . . . 5366 1 932 . 1 1 75 75 TRP HH2 H 1 7.118 0.03 . 1 . . . . . . . . 5366 1 933 . 1 1 75 75 TRP CZ3 C 13 122.040 0.12 . 1 . . . . . . . . 5366 1 934 . 1 1 75 75 TRP HZ3 H 1 7.068 0.03 . 1 . . . . . . . . 5366 1 935 . 1 1 75 75 TRP CE3 C 13 121.140 0.12 . 1 . . . . . . . . 5366 1 936 . 1 1 75 75 TRP HE3 H 1 7.526 0.03 . 1 . . . . . . . . 5366 1 937 . 1 1 75 75 TRP C C 13 174.126 0.12 . 1 . . . . . . . . 5366 1 938 . 1 1 76 76 GLN N N 15 119.642 0.15 . 1 . . . . . . . . 5366 1 939 . 1 1 76 76 GLN H H 1 7.885 0.03 . 1 . . . . . . . . 5366 1 940 . 1 1 76 76 GLN CA C 13 56.134 0.12 . 1 . . . . . . . . 5366 1 941 . 1 1 76 76 GLN HA H 1 4.214 0.03 . 1 . . . . . . . . 5366 1 942 . 1 1 76 76 GLN CB C 13 29.122 0.12 . 1 . . . . . . . . 5366 1 943 . 1 1 76 76 GLN HB2 H 1 2.070 0.03 . 2 . . . . . . . . 5366 1 944 . 1 1 76 76 GLN HB3 H 1 1.840 0.03 . 2 . . . . . . . . 5366 1 945 . 1 1 76 76 GLN CG C 13 34.145 0.12 . 1 . . . . . . . . 5366 1 946 . 1 1 76 76 GLN HG2 H 1 2.152 0.03 . 1 . . . . . . . . 5366 1 947 . 1 1 76 76 GLN HG3 H 1 2.152 0.03 . 1 . . . . . . . . 5366 1 948 . 1 1 76 76 GLN NE2 N 15 112.075 0.15 . 1 . . . . . . . . 5366 1 949 . 1 1 76 76 GLN HE22 H 1 7.390 0.03 . 2 . . . . . . . . 5366 1 950 . 1 1 76 76 GLN HE21 H 1 6.803 0.03 . 2 . . . . . . . . 5366 1 951 . 1 1 76 76 GLN C C 13 173.773 0.12 . 1 . . . . . . . . 5366 1 952 . 1 1 77 77 ARG N N 15 120.933 0.15 . 1 . . . . . . . . 5366 1 953 . 1 1 77 77 ARG H H 1 7.705 0.03 . 1 . . . . . . . . 5366 1 954 . 1 1 77 77 ARG CA C 13 56.230 0.12 . 1 . . . . . . . . 5366 1 955 . 1 1 77 77 ARG HA H 1 4.340 0.03 . 1 . . . . . . . . 5366 1 956 . 1 1 77 77 ARG CB C 13 32.223 0.12 . 1 . . . . . . . . 5366 1 957 . 1 1 77 77 ARG HB2 H 1 1.832 0.03 . 1 . . . . . . . . 5366 1 958 . 1 1 77 77 ARG HB3 H 1 1.832 0.03 . 1 . . . . . . . . 5366 1 959 . 1 1 77 77 ARG CG C 13 27.957 0.12 . 1 . . . . . . . . 5366 1 960 . 1 1 77 77 ARG HG2 H 1 1.640 0.03 . 1 . . . . . . . . 5366 1 961 . 1 1 77 77 ARG HG3 H 1 1.640 0.03 . 1 . . . . . . . . 5366 1 962 . 1 1 77 77 ARG CD C 13 43.889 0.12 . 1 . . . . . . . . 5366 1 963 . 1 1 77 77 ARG HD2 H 1 3.158 0.03 . 2 . . . . . . . . 5366 1 964 . 1 1 77 77 ARG HD3 H 1 3.062 0.03 . 2 . . . . . . . . 5366 1 965 . 1 1 77 77 ARG C C 13 174.033 0.12 . 1 . . . . . . . . 5366 1 966 . 1 1 78 78 ARG N N 15 121.577 0.15 . 1 . . . . . . . . 5366 1 967 . 1 1 78 78 ARG H H 1 8.674 0.03 . 1 . . . . . . . . 5366 1 968 . 1 1 78 78 ARG CA C 13 56.832 0.12 . 1 . . . . . . . . 5366 1 969 . 1 1 78 78 ARG HA H 1 4.327 0.03 . 1 . . . . . . . . 5366 1 970 . 1 1 78 78 ARG CB C 13 32.162 0.12 . 1 . . . . . . . . 5366 1 971 . 1 1 78 78 ARG HB2 H 1 1.826 0.03 . 1 . . . . . . . . 5366 1 972 . 1 1 78 78 ARG HB3 H 1 1.826 0.03 . 1 . . . . . . . . 5366 1 973 . 1 1 78 78 ARG CG C 13 28.352 0.12 . 1 . . . . . . . . 5366 1 974 . 1 1 78 78 ARG HG2 H 1 1.710 0.03 . 1 . . . . . . . . 5366 1 975 . 1 1 78 78 ARG HG3 H 1 1.710 0.03 . 1 . . . . . . . . 5366 1 976 . 1 1 78 78 ARG CD C 13 43.823 0.12 . 1 . . . . . . . . 5366 1 977 . 1 1 78 78 ARG HD2 H 1 3.290 0.03 . 2 . . . . . . . . 5366 1 978 . 1 1 78 78 ARG HD3 H 1 3.162 0.03 . 2 . . . . . . . . 5366 1 979 . 1 1 78 78 ARG C C 13 175.937 0.12 . 1 . . . . . . . . 5366 1 980 . 1 1 79 79 TYR N N 15 120.104 0.15 . 1 . . . . . . . . 5366 1 981 . 1 1 79 79 TYR H H 1 8.583 0.03 . 1 . . . . . . . . 5366 1 982 . 1 1 79 79 TYR CA C 13 59.856 0.12 . 1 . . . . . . . . 5366 1 983 . 1 1 79 79 TYR HA H 1 4.237 0.03 . 1 . . . . . . . . 5366 1 984 . 1 1 79 79 TYR CB C 13 37.865 0.12 . 1 . . . . . . . . 5366 1 985 . 1 1 79 79 TYR HB2 H 1 3.080 0.03 . 1 . . . . . . . . 5366 1 986 . 1 1 79 79 TYR HB3 H 1 3.080 0.03 . 1 . . . . . . . . 5366 1 987 . 1 1 79 79 TYR CD1 C 13 133.310 0.12 . 1 . . . . . . . . 5366 1 988 . 1 1 79 79 TYR HD1 H 1 7.000 0.03 . 1 . . . . . . . . 5366 1 989 . 1 1 79 79 TYR CE1 C 13 117.850 0.12 . 1 . . . . . . . . 5366 1 990 . 1 1 79 79 TYR HE1 H 1 6.600 0.03 . 1 . . . . . . . . 5366 1 991 . 1 1 79 79 TYR CE2 C 13 117.850 0.12 . 1 . . . . . . . . 5366 1 992 . 1 1 79 79 TYR HE2 H 1 6.600 0.03 . 1 . . . . . . . . 5366 1 993 . 1 1 79 79 TYR CD2 C 13 133.310 0.12 . 1 . . . . . . . . 5366 1 994 . 1 1 79 79 TYR HD2 H 1 7.000 0.03 . 1 . . . . . . . . 5366 1 995 . 1 1 79 79 TYR C C 13 171.405 0.12 . 1 . . . . . . . . 5366 1 996 . 1 1 80 80 ASP N N 15 116.621 0.15 . 1 . . . . . . . . 5366 1 997 . 1 1 80 80 ASP H H 1 7.527 0.03 . 1 . . . . . . . . 5366 1 998 . 1 1 80 80 ASP CA C 13 51.335 0.12 . 1 . . . . . . . . 5366 1 999 . 1 1 80 80 ASP HA H 1 4.072 0.03 . 1 . . . . . . . . 5366 1 1000 . 1 1 80 80 ASP CB C 13 39.234 0.12 . 1 . . . . . . . . 5366 1 1001 . 1 1 80 80 ASP HB2 H 1 2.495 0.03 . 2 . . . . . . . . 5366 1 1002 . 1 1 80 80 ASP HB3 H 1 1.219 0.03 . 2 . . . . . . . . 5366 1 1003 . 1 1 80 80 ASP C C 13 173.193 0.12 . 1 . . . . . . . . 5366 1 1004 . 1 1 81 81 ASP N N 15 121.702 0.15 . 1 . . . . . . . . 5366 1 1005 . 1 1 81 81 ASP H H 1 7.240 0.03 . 1 . . . . . . . . 5366 1 1006 . 1 1 81 81 ASP CA C 13 53.050 0.12 . 1 . . . . . . . . 5366 1 1007 . 1 1 81 81 ASP HA H 1 4.480 0.03 . 1 . . . . . . . . 5366 1 1008 . 1 1 81 81 ASP CB C 13 42.932 0.12 . 1 . . . . . . . . 5366 1 1009 . 1 1 81 81 ASP HB2 H 1 2.730 0.03 . 1 . . . . . . . . 5366 1 1010 . 1 1 81 81 ASP HB3 H 1 2.730 0.03 . 1 . . . . . . . . 5366 1 1011 . 1 1 81 81 ASP C C 13 173.200 0.12 . 1 . . . . . . . . 5366 1 1012 . 1 1 82 82 PRO CA C 13 65.556 0.12 . 1 . . . . . . . . 5366 1 1013 . 1 1 82 82 PRO HA H 1 4.067 0.03 . 1 . . . . . . . . 5366 1 1014 . 1 1 82 82 PRO CB C 13 32.422 0.12 . 1 . . . . . . . . 5366 1 1015 . 1 1 82 82 PRO HB2 H 1 2.280 0.03 . 2 . . . . . . . . 5366 1 1016 . 1 1 82 82 PRO HB3 H 1 1.970 0.03 . 2 . . . . . . . . 5366 1 1017 . 1 1 82 82 PRO CG C 13 27.759 0.12 . 1 . . . . . . . . 5366 1 1018 . 1 1 82 82 PRO HG2 H 1 2.016 0.03 . 1 . . . . . . . . 5366 1 1019 . 1 1 82 82 PRO HG3 H 1 2.016 0.03 . 1 . . . . . . . . 5366 1 1020 . 1 1 82 82 PRO CD C 13 51.300 0.12 . 1 . . . . . . . . 5366 1 1021 . 1 1 82 82 PRO HD2 H 1 3.990 0.03 . 2 . . . . . . . . 5366 1 1022 . 1 1 82 82 PRO HD3 H 1 3.740 0.03 . 2 . . . . . . . . 5366 1 1023 . 1 1 82 82 PRO C C 13 177.273 0.12 . 1 . . . . . . . . 5366 1 1024 . 1 1 83 83 GLU N N 15 118.731 0.15 . 1 . . . . . . . . 5366 1 1025 . 1 1 83 83 GLU H H 1 8.050 0.03 . 1 . . . . . . . . 5366 1 1026 . 1 1 83 83 GLU CA C 13 59.194 0.12 . 1 . . . . . . . . 5366 1 1027 . 1 1 83 83 GLU HA H 1 4.127 0.03 . 1 . . . . . . . . 5366 1 1028 . 1 1 83 83 GLU CB C 13 29.894 0.12 . 1 . . . . . . . . 5366 1 1029 . 1 1 83 83 GLU HB2 H 1 2.041 0.03 . 2 . . . . . . . . 5366 1 1030 . 1 1 83 83 GLU HB3 H 1 2.040 0.03 . 2 . . . . . . . . 5366 1 1031 . 1 1 83 83 GLU CG C 13 37.416 0.12 . 1 . . . . . . . . 5366 1 1032 . 1 1 83 83 GLU HG2 H 1 2.334 0.03 . 2 . . . . . . . . 5366 1 1033 . 1 1 83 83 GLU HG3 H 1 2.209 0.03 . 2 . . . . . . . . 5366 1 1034 . 1 1 83 83 GLU C C 13 176.847 0.12 . 1 . . . . . . . . 5366 1 1035 . 1 1 84 84 MET N N 15 121.357 0.15 . 1 . . . . . . . . 5366 1 1036 . 1 1 84 84 MET H H 1 7.968 0.03 . 1 . . . . . . . . 5366 1 1037 . 1 1 84 84 MET CA C 13 58.654 0.12 . 1 . . . . . . . . 5366 1 1038 . 1 1 84 84 MET HA H 1 4.000 0.03 . 1 . . . . . . . . 5366 1 1039 . 1 1 84 84 MET CB C 13 33.271 0.12 . 1 . . . . . . . . 5366 1 1040 . 1 1 84 84 MET HB2 H 1 2.196 0.03 . 2 . . . . . . . . 5366 1 1041 . 1 1 84 84 MET HB3 H 1 1.790 0.03 . 2 . . . . . . . . 5366 1 1042 . 1 1 84 84 MET CG C 13 32.170 0.12 . 1 . . . . . . . . 5366 1 1043 . 1 1 84 84 MET HG2 H 1 2.445 0.03 . 2 . . . . . . . . 5366 1 1044 . 1 1 84 84 MET HG3 H 1 2.180 0.03 . 2 . . . . . . . . 5366 1 1045 . 1 1 84 84 MET CE C 13 18.195 0.12 . 1 . . . . . . . . 5366 1 1046 . 1 1 84 84 MET HE1 H 1 1.957 0.03 . 1 . . . . . . . . 5366 1 1047 . 1 1 84 84 MET HE2 H 1 1.957 0.03 . 1 . . . . . . . . 5366 1 1048 . 1 1 84 84 MET HE3 H 1 1.957 0.03 . 1 . . . . . . . . 5366 1 1049 . 1 1 84 84 MET C C 13 176.400 0.12 . 1 . . . . . . . . 5366 1 1050 . 1 1 85 85 ILE N N 15 119.154 0.15 . 1 . . . . . . . . 5366 1 1051 . 1 1 85 85 ILE H H 1 8.228 0.03 . 1 . . . . . . . . 5366 1 1052 . 1 1 85 85 ILE CA C 13 65.043 0.12 . 1 . . . . . . . . 5366 1 1053 . 1 1 85 85 ILE HA H 1 3.865 0.03 . 1 . . . . . . . . 5366 1 1054 . 1 1 85 85 ILE CB C 13 38.392 0.12 . 1 . . . . . . . . 5366 1 1055 . 1 1 85 85 ILE HB H 1 1.766 0.03 . 1 . . . . . . . . 5366 1 1056 . 1 1 85 85 ILE CG1 C 13 28.900 0.12 . 1 . . . . . . . . 5366 1 1057 . 1 1 85 85 ILE HG12 H 1 1.630 0.03 . 2 . . . . . . . . 5366 1 1058 . 1 1 85 85 ILE HG13 H 1 1.100 0.03 . 2 . . . . . . . . 5366 1 1059 . 1 1 85 85 ILE CD1 C 13 14.110 0.12 . 1 . . . . . . . . 5366 1 1060 . 1 1 85 85 ILE HD11 H 1 0.656 0.03 . 1 . . . . . . . . 5366 1 1061 . 1 1 85 85 ILE HD12 H 1 0.656 0.03 . 1 . . . . . . . . 5366 1 1062 . 1 1 85 85 ILE HD13 H 1 0.656 0.03 . 1 . . . . . . . . 5366 1 1063 . 1 1 85 85 ILE CG2 C 13 18.740 0.12 . 1 . . . . . . . . 5366 1 1064 . 1 1 85 85 ILE HG21 H 1 0.958 0.03 . 1 . . . . . . . . 5366 1 1065 . 1 1 85 85 ILE HG22 H 1 0.958 0.03 . 1 . . . . . . . . 5366 1 1066 . 1 1 85 85 ILE HG23 H 1 0.958 0.03 . 1 . . . . . . . . 5366 1 1067 . 1 1 85 85 ILE C C 13 176.113 0.12 . 1 . . . . . . . . 5366 1 1068 . 1 1 86 86 ASP N N 15 119.625 0.15 . 1 . . . . . . . . 5366 1 1069 . 1 1 86 86 ASP H H 1 7.945 0.03 . 1 . . . . . . . . 5366 1 1070 . 1 1 86 86 ASP CA C 13 58.369 0.12 . 1 . . . . . . . . 5366 1 1071 . 1 1 86 86 ASP HA H 1 4.520 0.03 . 1 . . . . . . . . 5366 1 1072 . 1 1 86 86 ASP CB C 13 41.763 0.12 . 1 . . . . . . . . 5366 1 1073 . 1 1 86 86 ASP HB2 H 1 2.758 0.03 . 2 . . . . . . . . 5366 1 1074 . 1 1 86 86 ASP HB3 H 1 2.645 0.03 . 2 . . . . . . . . 5366 1 1075 . 1 1 86 86 ASP C C 13 175.854 0.12 . 1 . . . . . . . . 5366 1 1076 . 1 1 87 87 GLU N N 15 117.737 0.15 . 1 . . . . . . . . 5366 1 1077 . 1 1 87 87 GLU H H 1 7.885 0.03 . 1 . . . . . . . . 5366 1 1078 . 1 1 87 87 GLU CA C 13 59.763 0.12 . 1 . . . . . . . . 5366 1 1079 . 1 1 87 87 GLU HA H 1 3.972 0.03 . 1 . . . . . . . . 5366 1 1080 . 1 1 87 87 GLU CB C 13 30.091 0.12 . 1 . . . . . . . . 5366 1 1081 . 1 1 87 87 GLU HB2 H 1 2.180 0.03 . 2 . . . . . . . . 5366 1 1082 . 1 1 87 87 GLU HB3 H 1 2.058 0.03 . 2 . . . . . . . . 5366 1 1083 . 1 1 87 87 GLU CG C 13 36.763 0.12 . 1 . . . . . . . . 5366 1 1084 . 1 1 87 87 GLU HG2 H 1 2.395 0.03 . 2 . . . . . . . . 5366 1 1085 . 1 1 87 87 GLU HG3 H 1 2.204 0.03 . 2 . . . . . . . . 5366 1 1086 . 1 1 87 87 GLU C C 13 178.609 0.12 . 1 . . . . . . . . 5366 1 1087 . 1 1 88 88 ARG N N 15 120.997 0.15 . 1 . . . . . . . . 5366 1 1088 . 1 1 88 88 ARG H H 1 8.378 0.03 . 1 . . . . . . . . 5366 1 1089 . 1 1 88 88 ARG CA C 13 60.906 0.12 . 1 . . . . . . . . 5366 1 1090 . 1 1 88 88 ARG HA H 1 3.700 0.03 . 1 . . . . . . . . 5366 1 1091 . 1 1 88 88 ARG CB C 13 30.388 0.12 . 1 . . . . . . . . 5366 1 1092 . 1 1 88 88 ARG HB2 H 1 2.110 0.03 . 2 . . . . . . . . 5366 1 1093 . 1 1 88 88 ARG HB3 H 1 1.480 0.03 . 2 . . . . . . . . 5366 1 1094 . 1 1 88 88 ARG CG C 13 28.944 0.12 . 1 . . . . . . . . 5366 1 1095 . 1 1 88 88 ARG HG2 H 1 1.590 0.03 . 2 . . . . . . . . 5366 1 1096 . 1 1 88 88 ARG HG3 H 1 1.130 0.03 . 2 . . . . . . . . 5366 1 1097 . 1 1 88 88 ARG CD C 13 44.153 0.12 . 1 . . . . . . . . 5366 1 1098 . 1 1 88 88 ARG HD2 H 1 2.760 0.03 . 2 . . . . . . . . 5366 1 1099 . 1 1 88 88 ARG HD3 H 1 2.290 0.03 . 2 . . . . . . . . 5366 1 1100 . 1 1 88 88 ARG NE N 15 125.350 0.15 . 1 . . . . . . . . 5366 1 1101 . 1 1 88 88 ARG HE H 1 6.720 0.03 . 1 . . . . . . . . 5366 1 1102 . 1 1 88 88 ARG C C 13 175.038 0.12 . 1 . . . . . . . . 5366 1 1103 . 1 1 89 89 ARG N N 15 120.950 0.15 . 1 . . . . . . . . 5366 1 1104 . 1 1 89 89 ARG H H 1 9.162 0.03 . 1 . . . . . . . . 5366 1 1105 . 1 1 89 89 ARG CA C 13 61.229 0.12 . 1 . . . . . . . . 5366 1 1106 . 1 1 89 89 ARG HA H 1 3.650 0.03 . 1 . . . . . . . . 5366 1 1107 . 1 1 89 89 ARG CB C 13 31.062 0.12 . 1 . . . . . . . . 5366 1 1108 . 1 1 89 89 ARG HB2 H 1 2.325 0.03 . 2 . . . . . . . . 5366 1 1109 . 1 1 89 89 ARG HB3 H 1 2.064 0.03 . 2 . . . . . . . . 5366 1 1110 . 1 1 89 89 ARG CG C 13 27.298 0.12 . 1 . . . . . . . . 5366 1 1111 . 1 1 89 89 ARG HG2 H 1 1.775 0.03 . 2 . . . . . . . . 5366 1 1112 . 1 1 89 89 ARG HG3 H 1 1.651 0.03 . 2 . . . . . . . . 5366 1 1113 . 1 1 89 89 ARG CD C 13 43.494 0.12 . 1 . . . . . . . . 5366 1 1114 . 1 1 89 89 ARG HD2 H 1 3.450 0.03 . 2 . . . . . . . . 5366 1 1115 . 1 1 89 89 ARG HD3 H 1 3.060 0.03 . 2 . . . . . . . . 5366 1 1116 . 1 1 89 89 ARG NE N 15 121.266 0.15 . 1 . . . . . . . . 5366 1 1117 . 1 1 89 89 ARG HE H 1 7.363 0.03 . 1 . . . . . . . . 5366 1 1118 . 1 1 89 89 ARG C C 13 175.736 0.12 . 1 . . . . . . . . 5366 1 1119 . 1 1 90 90 ILE N N 15 117.402 0.15 . 1 . . . . . . . . 5366 1 1120 . 1 1 90 90 ILE H H 1 8.003 0.03 . 1 . . . . . . . . 5366 1 1121 . 1 1 90 90 ILE CA C 13 64.781 0.12 . 1 . . . . . . . . 5366 1 1122 . 1 1 90 90 ILE HA H 1 3.717 0.03 . 1 . . . . . . . . 5366 1 1123 . 1 1 90 90 ILE CB C 13 38.899 0.12 . 1 . . . . . . . . 5366 1 1124 . 1 1 90 90 ILE HB H 1 1.806 0.03 . 1 . . . . . . . . 5366 1 1125 . 1 1 90 90 ILE CG1 C 13 29.800 0.12 . 1 . . . . . . . . 5366 1 1126 . 1 1 90 90 ILE HG12 H 1 1.670 0.03 . 2 . . . . . . . . 5366 1 1127 . 1 1 90 90 ILE HG13 H 1 1.153 0.03 . 2 . . . . . . . . 5366 1 1128 . 1 1 90 90 ILE CD1 C 13 13.838 0.12 . 1 . . . . . . . . 5366 1 1129 . 1 1 90 90 ILE HD11 H 1 0.829 0.03 . 1 . . . . . . . . 5366 1 1130 . 1 1 90 90 ILE HD12 H 1 0.829 0.03 . 1 . . . . . . . . 5366 1 1131 . 1 1 90 90 ILE HD13 H 1 0.829 0.03 . 1 . . . . . . . . 5366 1 1132 . 1 1 90 90 ILE CG2 C 13 17.620 0.12 . 1 . . . . . . . . 5366 1 1133 . 1 1 90 90 ILE HG21 H 1 0.928 0.03 . 1 . . . . . . . . 5366 1 1134 . 1 1 90 90 ILE HG22 H 1 0.928 0.03 . 1 . . . . . . . . 5366 1 1135 . 1 1 90 90 ILE HG23 H 1 0.928 0.03 . 1 . . . . . . . . 5366 1 1136 . 1 1 90 90 ILE C C 13 177.368 0.12 . 1 . . . . . . . . 5366 1 1137 . 1 1 91 91 GLY N N 15 108.48 0.15 . 1 . . . . . . . . 5366 1 1138 . 1 1 91 91 GLY H H 1 8.054 0.03 . 1 . . . . . . . . 5366 1 1139 . 1 1 91 91 GLY CA C 13 47.349 0.12 . 1 . . . . . . . . 5366 1 1140 . 1 1 91 91 GLY HA2 H 1 3.855 0.03 . 2 . . . . . . . . 5366 1 1141 . 1 1 91 91 GLY HA3 H 1 3.553 0.03 . 2 . . . . . . . . 5366 1 1142 . 1 1 91 91 GLY C C 13 175.050 0.12 . 1 . . . . . . . . 5366 1 1143 . 1 1 92 92 LEU N N 15 123.658 0.15 . 1 . . . . . . . . 5366 1 1144 . 1 1 92 92 LEU H H 1 9.013 0.03 . 1 . . . . . . . . 5366 1 1145 . 1 1 92 92 LEU CA C 13 57.786 0.12 . 1 . . . . . . . . 5366 1 1146 . 1 1 92 92 LEU HA H 1 3.793 0.03 . 1 . . . . . . . . 5366 1 1147 . 1 1 92 92 LEU CB C 13 41.267 0.12 . 1 . . . . . . . . 5366 1 1148 . 1 1 92 92 LEU HB2 H 1 1.638 0.03 . 2 . . . . . . . . 5366 1 1149 . 1 1 92 92 LEU HB3 H 1 0.533 0.03 . 2 . . . . . . . . 5366 1 1150 . 1 1 92 92 LEU CG C 13 25.475 0.12 . 1 . . . . . . . . 5366 1 1151 . 1 1 92 92 LEU HG H 1 1.438 0.03 . 1 . . . . . . . . 5366 1 1152 . 1 1 92 92 LEU CD1 C 13 24.100 0.12 . 1 . . . . . . . . 5366 1 1153 . 1 1 92 92 LEU HD11 H 1 -0.546 0.03 . 1 . . . . . . . . 5366 1 1154 . 1 1 92 92 LEU HD12 H 1 -0.546 0.03 . 1 . . . . . . . . 5366 1 1155 . 1 1 92 92 LEU HD13 H 1 -0.546 0.03 . 1 . . . . . . . . 5366 1 1156 . 1 1 92 92 LEU CD2 C 13 21.702 0.12 . 1 . . . . . . . . 5366 1 1157 . 1 1 92 92 LEU HD21 H 1 -0.182 0.03 . 1 . . . . . . . . 5366 1 1158 . 1 1 92 92 LEU HD22 H 1 -0.182 0.03 . 1 . . . . . . . . 5366 1 1159 . 1 1 92 92 LEU HD23 H 1 -0.182 0.03 . 1 . . . . . . . . 5366 1 1160 . 1 1 92 92 LEU C C 13 176.161 0.12 . 1 . . . . . . . . 5366 1 1161 . 1 1 93 93 GLU N N 15 120.267 0.15 . 1 . . . . . . . . 5366 1 1162 . 1 1 93 93 GLU H H 1 8.139 0.03 . 1 . . . . . . . . 5366 1 1163 . 1 1 93 93 GLU CA C 13 61.770 0.12 . 1 . . . . . . . . 5366 1 1164 . 1 1 93 93 GLU HA H 1 3.675 0.03 . 1 . . . . . . . . 5366 1 1165 . 1 1 93 93 GLU CB C 13 31.437 0.12 . 1 . . . . . . . . 5366 1 1166 . 1 1 93 93 GLU HB2 H 1 2.334 0.03 . 2 . . . . . . . . 5366 1 1167 . 1 1 93 93 GLU HB3 H 1 2.230 0.03 . 2 . . . . . . . . 5366 1 1168 . 1 1 93 93 GLU CG C 13 38.853 0.12 . 1 . . . . . . . . 5366 1 1169 . 1 1 93 93 GLU HG2 H 1 2.150 0.03 . 2 . . . . . . . . 5366 1 1170 . 1 1 93 93 GLU HG3 H 1 2.080 0.03 . 2 . . . . . . . . 5366 1 1171 . 1 1 93 93 GLU C C 13 176.776 0.12 . 1 . . . . . . . . 5366 1 1172 . 1 1 94 94 ARG N N 15 120.838 0.15 . 1 . . . . . . . . 5366 1 1173 . 1 1 94 94 ARG H H 1 8.159 0.03 . 1 . . . . . . . . 5366 1 1174 . 1 1 94 94 ARG CA C 13 60.258 0.12 . 1 . . . . . . . . 5366 1 1175 . 1 1 94 94 ARG HA H 1 4.180 0.03 . 1 . . . . . . . . 5366 1 1176 . 1 1 94 94 ARG CB C 13 30.145 0.12 . 1 . . . . . . . . 5366 1 1177 . 1 1 94 94 ARG HB2 H 1 2.012 0.03 . 2 . . . . . . . . 5366 1 1178 . 1 1 94 94 ARG HB3 H 1 1.930 0.03 . 2 . . . . . . . . 5366 1 1179 . 1 1 94 94 ARG CG C 13 27.562 0.12 . 1 . . . . . . . . 5366 1 1180 . 1 1 94 94 ARG HG2 H 1 1.800 0.03 . 2 . . . . . . . . 5366 1 1181 . 1 1 94 94 ARG HG3 H 1 1.645 0.03 . 2 . . . . . . . . 5366 1 1182 . 1 1 94 94 ARG CD C 13 43.955 0.12 . 1 . . . . . . . . 5366 1 1183 . 1 1 94 94 ARG HD2 H 1 3.265 0.03 . 2 . . . . . . . . 5366 1 1184 . 1 1 94 94 ARG HD3 H 1 3.216 0.03 . 2 . . . . . . . . 5366 1 1185 . 1 1 94 94 ARG NE N 15 125.664 0.15 . 1 . . . . . . . . 5366 1 1186 . 1 1 94 94 ARG HE H 1 7.380 0.03 . 1 . . . . . . . . 5366 1 1187 . 1 1 94 94 ARG C C 13 175.700 0.12 . 1 . . . . . . . . 5366 1 1188 . 1 1 95 95 PHE N N 15 119.626 0.15 . 1 . . . . . . . . 5366 1 1189 . 1 1 95 95 PHE H H 1 7.955 0.03 . 1 . . . . . . . . 5366 1 1190 . 1 1 95 95 PHE CA C 13 61.494 0.12 . 1 . . . . . . . . 5366 1 1191 . 1 1 95 95 PHE HA H 1 4.328 0.03 . 1 . . . . . . . . 5366 1 1192 . 1 1 95 95 PHE CB C 13 39.654 0.12 . 1 . . . . . . . . 5366 1 1193 . 1 1 95 95 PHE HB2 H 1 3.593 0.03 . 2 . . . . . . . . 5366 1 1194 . 1 1 95 95 PHE HB3 H 1 3.085 0.03 . 2 . . . . . . . . 5366 1 1195 . 1 1 95 95 PHE CD1 C 13 129.840 0.12 . 1 . . . . . . . . 5366 1 1196 . 1 1 95 95 PHE HD1 H 1 7.290 0.03 . 1 . . . . . . . . 5366 1 1197 . 1 1 95 95 PHE CE1 C 13 130.510 0.12 . 1 . . . . . . . . 5366 1 1198 . 1 1 95 95 PHE HE1 H 1 7.160 0.03 . 1 . . . . . . . . 5366 1 1199 . 1 1 95 95 PHE CZ C 13 128.790 0.12 . 1 . . . . . . . . 5366 1 1200 . 1 1 95 95 PHE HZ H 1 6.800 0.03 . 1 . . . . . . . . 5366 1 1201 . 1 1 95 95 PHE CE2 C 13 130.510 0.12 . 1 . . . . . . . . 5366 1 1202 . 1 1 95 95 PHE HE2 H 1 7.160 0.03 . 1 . . . . . . . . 5366 1 1203 . 1 1 95 95 PHE CD2 C 13 129.840 0.12 . 1 . . . . . . . . 5366 1 1204 . 1 1 95 95 PHE HD2 H 1 7.290 0.03 . 1 . . . . . . . . 5366 1 1205 . 1 1 95 95 PHE C C 13 174.056 0.12 . 1 . . . . . . . . 5366 1 1206 . 1 1 96 96 LEU N N 15 115.181 0.15 . 1 . . . . . . . . 5366 1 1207 . 1 1 96 96 LEU H H 1 8.513 0.03 . 1 . . . . . . . . 5366 1 1208 . 1 1 96 96 LEU CA C 13 57.813 0.12 . 1 . . . . . . . . 5366 1 1209 . 1 1 96 96 LEU HA H 1 3.825 0.03 . 1 . . . . . . . . 5366 1 1210 . 1 1 96 96 LEU CB C 13 43.100 0.12 . 1 . . . . . . . . 5366 1 1211 . 1 1 96 96 LEU HB2 H 1 2.000 0.03 . 2 . . . . . . . . 5366 1 1212 . 1 1 96 96 LEU HB3 H 1 1.465 0.03 . 2 . . . . . . . . 5366 1 1213 . 1 1 96 96 LEU CG C 13 28.088 0.12 . 1 . . . . . . . . 5366 1 1214 . 1 1 96 96 LEU HG H 1 1.112 0.03 . 1 . . . . . . . . 5366 1 1215 . 1 1 96 96 LEU CD1 C 13 28.125 0.12 . 1 . . . . . . . . 5366 1 1216 . 1 1 96 96 LEU HD11 H 1 1.110 0.03 . 1 . . . . . . . . 5366 1 1217 . 1 1 96 96 LEU HD12 H 1 1.110 0.03 . 1 . . . . . . . . 5366 1 1218 . 1 1 96 96 LEU HD13 H 1 1.110 0.03 . 1 . . . . . . . . 5366 1 1219 . 1 1 96 96 LEU CD2 C 13 23.480 0.12 . 1 . . . . . . . . 5366 1 1220 . 1 1 96 96 LEU HD21 H 1 1.250 0.03 . 1 . . . . . . . . 5366 1 1221 . 1 1 96 96 LEU HD22 H 1 1.250 0.03 . 1 . . . . . . . . 5366 1 1222 . 1 1 96 96 LEU HD23 H 1 1.250 0.03 . 1 . . . . . . . . 5366 1 1223 . 1 1 96 96 LEU C C 13 176.835 0.12 . 1 . . . . . . . . 5366 1 1224 . 1 1 97 97 ASN N N 15 115.652 0.15 . 1 . . . . . . . . 5366 1 1225 . 1 1 97 97 ASN H H 1 8.033 0.03 . 1 . . . . . . . . 5366 1 1226 . 1 1 97 97 ASN CA C 13 58.571 0.12 . 1 . . . . . . . . 5366 1 1227 . 1 1 97 97 ASN HA H 1 4.222 0.03 . 1 . . . . . . . . 5366 1 1228 . 1 1 97 97 ASN CB C 13 40.005 0.12 . 1 . . . . . . . . 5366 1 1229 . 1 1 97 97 ASN HB2 H 1 2.877 0.03 . 2 . . . . . . . . 5366 1 1230 . 1 1 97 97 ASN HB3 H 1 2.577 0.03 . 2 . . . . . . . . 5366 1 1231 . 1 1 97 97 ASN ND2 N 15 116.209 0.15 . 1 . . . . . . . . 5366 1 1232 . 1 1 97 97 ASN HD22 H 1 8.049 0.03 . 2 . . . . . . . . 5366 1 1233 . 1 1 97 97 ASN HD21 H 1 7.471 0.03 . 2 . . . . . . . . 5366 1 1234 . 1 1 97 97 ASN C C 13 175.937 0.12 . 1 . . . . . . . . 5366 1 1235 . 1 1 98 98 GLU N N 15 119.221 0.15 . 1 . . . . . . . . 5366 1 1236 . 1 1 98 98 GLU H H 1 8.115 0.03 . 1 . . . . . . . . 5366 1 1237 . 1 1 98 98 GLU CA C 13 59.752 0.12 . 1 . . . . . . . . 5366 1 1238 . 1 1 98 98 GLU HA H 1 3.790 0.03 . 1 . . . . . . . . 5366 1 1239 . 1 1 98 98 GLU CB C 13 29.188 0.12 . 1 . . . . . . . . 5366 1 1240 . 1 1 98 98 GLU HB2 H 1 1.710 0.03 . 2 . . . . . . . . 5366 1 1241 . 1 1 98 98 GLU HB3 H 1 1.641 0.03 . 2 . . . . . . . . 5366 1 1242 . 1 1 98 98 GLU CG C 13 37.350 0.12 . 1 . . . . . . . . 5366 1 1243 . 1 1 98 98 GLU HG2 H 1 2.542 0.03 . 2 . . . . . . . . 5366 1 1244 . 1 1 98 98 GLU HG3 H 1 2.112 0.03 . 2 . . . . . . . . 5366 1 1245 . 1 1 98 98 GLU C C 13 175.227 0.12 . 1 . . . . . . . . 5366 1 1246 . 1 1 99 99 LEU N N 15 118.861 0.15 . 1 . . . . . . . . 5366 1 1247 . 1 1 99 99 LEU H H 1 7.268 0.03 . 1 . . . . . . . . 5366 1 1248 . 1 1 99 99 LEU CA C 13 58.758 0.12 . 1 . . . . . . . . 5366 1 1249 . 1 1 99 99 LEU HA H 1 3.173 0.03 . 1 . . . . . . . . 5366 1 1250 . 1 1 99 99 LEU CB C 13 42.717 0.12 . 1 . . . . . . . . 5366 1 1251 . 1 1 99 99 LEU HB2 H 1 0.610 0.03 . 2 . . . . . . . . 5366 1 1252 . 1 1 99 99 LEU HB3 H 1 1.050 0.03 . 2 . . . . . . . . 5366 1 1253 . 1 1 99 99 LEU CG C 13 27.298 0.12 . 1 . . . . . . . . 5366 1 1254 . 1 1 99 99 LEU HG H 1 0.926 0.03 . 1 . . . . . . . . 5366 1 1255 . 1 1 99 99 LEU CD1 C 13 27.200 0.12 . 1 . . . . . . . . 5366 1 1256 . 1 1 99 99 LEU HD11 H 1 0.375 0.03 . 1 . . . . . . . . 5366 1 1257 . 1 1 99 99 LEU HD12 H 1 0.375 0.03 . 1 . . . . . . . . 5366 1 1258 . 1 1 99 99 LEU HD13 H 1 0.375 0.03 . 1 . . . . . . . . 5366 1 1259 . 1 1 99 99 LEU CD2 C 13 23.600 0.12 . 1 . . . . . . . . 5366 1 1260 . 1 1 99 99 LEU HD21 H 1 -0.103 0.03 . 1 . . . . . . . . 5366 1 1261 . 1 1 99 99 LEU HD22 H 1 -0.103 0.03 . 1 . . . . . . . . 5366 1 1262 . 1 1 99 99 LEU HD23 H 1 -0.103 0.03 . 1 . . . . . . . . 5366 1 1263 . 1 1 99 99 LEU C C 13 177.308 0.12 . 1 . . . . . . . . 5366 1 1264 . 1 1 100 100 TYR N N 15 111.046 0.15 . 1 . . . . . . . . 5366 1 1265 . 1 1 100 100 TYR H H 1 7.965 0.03 . 1 . . . . . . . . 5366 1 1266 . 1 1 100 100 TYR CA C 13 62.782 0.12 . 1 . . . . . . . . 5366 1 1267 . 1 1 100 100 TYR HA H 1 3.900 0.03 . 1 . . . . . . . . 5366 1 1268 . 1 1 100 100 TYR CB C 13 38.179 0.12 . 1 . . . . . . . . 5366 1 1269 . 1 1 100 100 TYR HB2 H 1 2.990 0.03 . 2 . . . . . . . . 5366 1 1270 . 1 1 100 100 TYR HB3 H 1 2.628 0.03 . 2 . . . . . . . . 5366 1 1271 . 1 1 100 100 TYR CD1 C 13 133.300 0.12 . 1 . . . . . . . . 5366 1 1272 . 1 1 100 100 TYR HD1 H 1 7.350 0.03 . 1 . . . . . . . . 5366 1 1273 . 1 1 100 100 TYR CE1 C 13 117.710 0.12 . 1 . . . . . . . . 5366 1 1274 . 1 1 100 100 TYR HE1 H 1 6.560 0.03 . 1 . . . . . . . . 5366 1 1275 . 1 1 100 100 TYR CE2 C 13 117.710 0.12 . 1 . . . . . . . . 5366 1 1276 . 1 1 100 100 TYR HE2 H 1 6.560 0.03 . 1 . . . . . . . . 5366 1 1277 . 1 1 100 100 TYR CD2 C 13 133.300 0.12 . 1 . . . . . . . . 5366 1 1278 . 1 1 100 100 TYR HD2 H 1 7.350 0.03 . 1 . . . . . . . . 5366 1 1279 . 1 1 100 100 TYR C C 13 174.126 0.12 . 1 . . . . . . . . 5366 1 1280 . 1 1 101 101 ASN N N 15 113.396 0.15 . 1 . . . . . . . . 5366 1 1281 . 1 1 101 101 ASN H H 1 7.215 0.03 . 1 . . . . . . . . 5366 1 1282 . 1 1 101 101 ASN CA C 13 53.420 0.12 . 1 . . . . . . . . 5366 1 1283 . 1 1 101 101 ASN HA H 1 5.025 0.03 . 1 . . . . . . . . 5366 1 1284 . 1 1 101 101 ASN CB C 13 40.509 0.12 . 1 . . . . . . . . 5366 1 1285 . 1 1 101 101 ASN HB2 H 1 2.930 0.03 . 2 . . . . . . . . 5366 1 1286 . 1 1 101 101 ASN HB3 H 1 2.864 0.03 . 2 . . . . . . . . 5366 1 1287 . 1 1 101 101 ASN ND2 N 15 112.972 0.15 . 1 . . . . . . . . 5366 1 1288 . 1 1 101 101 ASN HD22 H 1 7.430 0.03 . 2 . . . . . . . . 5366 1 1289 . 1 1 101 101 ASN HD21 H 1 6.947 0.03 . 2 . . . . . . . . 5366 1 1290 . 1 1 101 101 ASN C C 13 172.602 0.12 . 1 . . . . . . . . 5366 1 1291 . 1 1 102 102 ASP N N 15 120.689 0.15 . 1 . . . . . . . . 5366 1 1292 . 1 1 102 102 ASP H H 1 6.829 0.03 . 1 . . . . . . . . 5366 1 1293 . 1 1 102 102 ASP CA C 13 55.926 0.12 . 1 . . . . . . . . 5366 1 1294 . 1 1 102 102 ASP HA H 1 4.550 0.03 . 1 . . . . . . . . 5366 1 1295 . 1 1 102 102 ASP CB C 13 40.781 0.12 . 1 . . . . . . . . 5366 1 1296 . 1 1 102 102 ASP HB2 H 1 3.178 0.03 . 2 . . . . . . . . 5366 1 1297 . 1 1 102 102 ASP HB3 H 1 3.099 0.03 . 2 . . . . . . . . 5366 1 1298 . 1 1 102 102 ASP C C 13 174.861 0.12 . 1 . . . . . . . . 5366 1 1299 . 1 1 103 103 ARG N N 15 125.581 0.15 . 1 . . . . . . . . 5366 1 1300 . 1 1 103 103 ARG H H 1 8.503 0.03 . 1 . . . . . . . . 5366 1 1301 . 1 1 103 103 ARG CA C 13 56.945 0.12 . 1 . . . . . . . . 5366 1 1302 . 1 1 103 103 ARG HA H 1 4.100 0.03 . 1 . . . . . . . . 5366 1 1303 . 1 1 103 103 ARG CB C 13 30.680 0.12 . 1 . . . . . . . . 5366 1 1304 . 1 1 103 103 ARG HB2 H 1 1.526 0.03 . 2 . . . . . . . . 5366 1 1305 . 1 1 103 103 ARG HB3 H 1 1.462 0.03 . 2 . . . . . . . . 5366 1 1306 . 1 1 103 103 ARG CG C 13 27.101 0.12 . 1 . . . . . . . . 5366 1 1307 . 1 1 103 103 ARG HG2 H 1 1.400 0.03 . 2 . . . . . . . . 5366 1 1308 . 1 1 103 103 ARG HG3 H 1 1.290 0.03 . 2 . . . . . . . . 5366 1 1309 . 1 1 103 103 ARG CD C 13 43.758 0.12 . 1 . . . . . . . . 5366 1 1310 . 1 1 103 103 ARG HD2 H 1 3.050 0.03 . 1 . . . . . . . . 5366 1 1311 . 1 1 103 103 ARG HD3 H 1 3.050 0.03 . 1 . . . . . . . . 5366 1 1312 . 1 1 103 103 ARG C C 13 174.754 0.12 . 1 . . . . . . . . 5366 1 1313 . 1 1 104 104 PHE N N 15 119.814 0.15 . 1 . . . . . . . . 5366 1 1314 . 1 1 104 104 PHE H H 1 8.765 0.03 . 1 . . . . . . . . 5366 1 1315 . 1 1 104 104 PHE CA C 13 59.420 0.12 . 1 . . . . . . . . 5366 1 1316 . 1 1 104 104 PHE HA H 1 4.631 0.03 . 1 . . . . . . . . 5366 1 1317 . 1 1 104 104 PHE CB C 13 40.455 0.12 . 1 . . . . . . . . 5366 1 1318 . 1 1 104 104 PHE HB2 H 1 3.101 0.03 . 2 . . . . . . . . 5366 1 1319 . 1 1 104 104 PHE HB3 H 1 3.299 0.03 . 2 . . . . . . . . 5366 1 1320 . 1 1 104 104 PHE CD1 C 13 132.050 0.12 . 1 . . . . . . . . 5366 1 1321 . 1 1 104 104 PHE HD1 H 1 7.380 0.03 . 1 . . . . . . . . 5366 1 1322 . 1 1 104 104 PHE CE1 C 13 130.820 0.12 . 1 . . . . . . . . 5366 1 1323 . 1 1 104 104 PHE HE1 H 1 7.380 0.03 . 1 . . . . . . . . 5366 1 1324 . 1 1 104 104 PHE CZ C 13 129.620 0.12 . 1 . . . . . . . . 5366 1 1325 . 1 1 104 104 PHE HZ H 1 7.300 0.03 . 1 . . . . . . . . 5366 1 1326 . 1 1 104 104 PHE CE2 C 13 130.820 0.12 . 1 . . . . . . . . 5366 1 1327 . 1 1 104 104 PHE HE2 H 1 7.380 0.03 . 1 . . . . . . . . 5366 1 1328 . 1 1 104 104 PHE CD2 C 13 132.050 0.12 . 1 . . . . . . . . 5366 1 1329 . 1 1 104 104 PHE HD2 H 1 7.380 0.03 . 1 . . . . . . . . 5366 1 1330 . 1 1 104 104 PHE C C 13 173.757 0.12 . 1 . . . . . . . . 5366 1 1331 . 1 1 105 105 ASP N N 15 121.210 0.15 . 1 . . . . . . . . 5366 1 1332 . 1 1 105 105 ASP H H 1 7.885 0.03 . 1 . . . . . . . . 5366 1 1333 . 1 1 105 105 ASP CA C 13 52.895 0.12 . 1 . . . . . . . . 5366 1 1334 . 1 1 105 105 ASP HA H 1 4.888 0.03 . 1 . . . . . . . . 5366 1 1335 . 1 1 105 105 ASP CB C 13 40.895 0.12 . 1 . . . . . . . . 5366 1 1336 . 1 1 105 105 ASP HB2 H 1 3.481 0.03 . 2 . . . . . . . . 5366 1 1337 . 1 1 105 105 ASP HB3 H 1 2.509 0.03 . 2 . . . . . . . . 5366 1 1338 . 1 1 105 105 ASP C C 13 172.892 0.12 . 1 . . . . . . . . 5366 1 1339 . 1 1 106 106 SER N N 15 117.450 0.15 . 1 . . . . . . . . 5366 1 1340 . 1 1 106 106 SER H H 1 8.475 0.03 . 1 . . . . . . . . 5366 1 1341 . 1 1 106 106 SER CA C 13 58.584 0.12 . 1 . . . . . . . . 5366 1 1342 . 1 1 106 106 SER HA H 1 4.500 0.03 . 1 . . . . . . . . 5366 1 1343 . 1 1 106 106 SER CB C 13 64.428 0.12 . 1 . . . . . . . . 5366 1 1344 . 1 1 106 106 SER HB2 H 1 4.036 0.03 . 2 . . . . . . . . 5366 1 1345 . 1 1 106 106 SER HB3 H 1 3.725 0.03 . 2 . . . . . . . . 5366 1 1346 . 1 1 106 106 SER C C 13 172.413 0.12 . 1 . . . . . . . . 5366 1 1347 . 1 1 107 107 ARG N N 15 117.969 0.15 . 1 . . . . . . . . 5366 1 1348 . 1 1 107 107 ARG H H 1 7.753 0.03 . 1 . . . . . . . . 5366 1 1349 . 1 1 107 107 ARG CA C 13 59.151 0.12 . 1 . . . . . . . . 5366 1 1350 . 1 1 107 107 ARG HA H 1 3.680 0.03 . 1 . . . . . . . . 5366 1 1351 . 1 1 107 107 ARG CB C 13 31.046 0.12 . 1 . . . . . . . . 5366 1 1352 . 1 1 107 107 ARG HB2 H 1 1.042 0.03 . 2 . . . . . . . . 5366 1 1353 . 1 1 107 107 ARG HB3 H 1 0.892 0.03 . 2 . . . . . . . . 5366 1 1354 . 1 1 107 107 ARG CG C 13 25.982 0.12 . 1 . . . . . . . . 5366 1 1355 . 1 1 107 107 ARG HG2 H 1 1.460 0.03 . 1 . . . . . . . . 5366 1 1356 . 1 1 107 107 ARG HG3 H 1 1.460 0.03 . 1 . . . . . . . . 5366 1 1357 . 1 1 107 107 ARG CD C 13 43.758 0.12 . 1 . . . . . . . . 5366 1 1358 . 1 1 107 107 ARG HD2 H 1 3.050 0.03 . 1 . . . . . . . . 5366 1 1359 . 1 1 107 107 ARG HD3 H 1 3.050 0.03 . 1 . . . . . . . . 5366 1 1360 . 1 1 107 107 ARG NE N 15 125.070 0.15 . 1 . . . . . . . . 5366 1 1361 . 1 1 107 107 ARG HE H 1 8.614 0.03 . 1 . . . . . . . . 5366 1 1362 . 1 1 107 107 ARG C C 13 175.535 0.12 . 1 . . . . . . . . 5366 1 1363 . 1 1 108 108 TRP N N 15 115.689 0.15 . 1 . . . . . . . . 5366 1 1364 . 1 1 108 108 TRP H H 1 6.462 0.03 . 1 . . . . . . . . 5366 1 1365 . 1 1 108 108 TRP CA C 13 57.782 0.12 . 1 . . . . . . . . 5366 1 1366 . 1 1 108 108 TRP HA H 1 3.923 0.03 . 1 . . . . . . . . 5366 1 1367 . 1 1 108 108 TRP CB C 13 29.007 0.12 . 1 . . . . . . . . 5366 1 1368 . 1 1 108 108 TRP HB2 H 1 3.553 0.03 . 2 . . . . . . . . 5366 1 1369 . 1 1 108 108 TRP HB3 H 1 3.150 0.03 . 2 . . . . . . . . 5366 1 1370 . 1 1 108 108 TRP CD1 C 13 130.320 0.12 . 1 . . . . . . . . 5366 1 1371 . 1 1 108 108 TRP HD1 H 1 7.780 0.03 . 1 . . . . . . . . 5366 1 1372 . 1 1 108 108 TRP NE1 N 15 130.018 0.15 . 1 . . . . . . . . 5366 1 1373 . 1 1 108 108 TRP HE1 H 1 10.170 0.03 . 1 . . . . . . . . 5366 1 1374 . 1 1 108 108 TRP CZ2 C 13 115.020 0.12 . 1 . . . . . . . . 5366 1 1375 . 1 1 108 108 TRP HZ2 H 1 7.210 0.03 . 1 . . . . . . . . 5366 1 1376 . 1 1 108 108 TRP CH2 C 13 125.340 0.12 . 1 . . . . . . . . 5366 1 1377 . 1 1 108 108 TRP HH2 H 1 6.990 0.03 . 1 . . . . . . . . 5366 1 1378 . 1 1 108 108 TRP CZ3 C 13 121.400 0.12 . 1 . . . . . . . . 5366 1 1379 . 1 1 108 108 TRP HZ3 H 1 6.660 0.03 . 1 . . . . . . . . 5366 1 1380 . 1 1 108 108 TRP CE3 C 13 119.910 0.12 . 1 . . . . . . . . 5366 1 1381 . 1 1 108 108 TRP HE3 H 1 7.410 0.03 . 1 . . . . . . . . 5366 1 1382 . 1 1 108 108 TRP C C 13 175.928 0.12 . 1 . . . . . . . . 5366 1 1383 . 1 1 109 109 ARG N N 15 117.265 0.15 . 1 . . . . . . . . 5366 1 1384 . 1 1 109 109 ARG H H 1 8.446 0.03 . 1 . . . . . . . . 5366 1 1385 . 1 1 109 109 ARG CA C 13 57.908 0.12 . 1 . . . . . . . . 5366 1 1386 . 1 1 109 109 ARG HA H 1 3.646 0.03 . 1 . . . . . . . . 5366 1 1387 . 1 1 109 109 ARG CB C 13 29.545 0.12 . 1 . . . . . . . . 5366 1 1388 . 1 1 109 109 ARG HB2 H 1 1.770 0.03 . 2 . . . . . . . . 5366 1 1389 . 1 1 109 109 ARG HB3 H 1 1.675 0.03 . 2 . . . . . . . . 5366 1 1390 . 1 1 109 109 ARG CG C 13 26.179 0.12 . 1 . . . . . . . . 5366 1 1391 . 1 1 109 109 ARG HG2 H 1 1.926 0.03 . 2 . . . . . . . . 5366 1 1392 . 1 1 109 109 ARG HG3 H 1 1.578 0.03 . 2 . . . . . . . . 5366 1 1393 . 1 1 109 109 ARG CD C 13 44.416 0.12 . 1 . . . . . . . . 5366 1 1394 . 1 1 109 109 ARG HD2 H 1 3.140 0.03 . 1 . . . . . . . . 5366 1 1395 . 1 1 109 109 ARG HD3 H 1 3.140 0.03 . 1 . . . . . . . . 5366 1 1396 . 1 1 109 109 ARG NE N 15 127.140 0.15 . 1 . . . . . . . . 5366 1 1397 . 1 1 109 109 ARG HE H 1 7.420 0.03 . 1 . . . . . . . . 5366 1 1398 . 1 1 109 109 ARG C C 13 173.654 0.12 . 1 . . . . . . . . 5366 1 1399 . 1 1 110 110 ASP N N 15 118.446 0.15 . 1 . . . . . . . . 5366 1 1400 . 1 1 110 110 ASP H H 1 7.662 0.03 . 1 . . . . . . . . 5366 1 1401 . 1 1 110 110 ASP CA C 13 55.205 0.12 . 1 . . . . . . . . 5366 1 1402 . 1 1 110 110 ASP HA H 1 4.618 0.03 . 1 . . . . . . . . 5366 1 1403 . 1 1 110 110 ASP CB C 13 40.701 0.12 . 1 . . . . . . . . 5366 1 1404 . 1 1 110 110 ASP HB2 H 1 2.667 0.03 . 2 . . . . . . . . 5366 1 1405 . 1 1 110 110 ASP HB3 H 1 2.565 0.03 . 2 . . . . . . . . 5366 1 1406 . 1 1 110 110 ASP C C 13 175.476 0.12 . 1 . . . . . . . . 5366 1 1407 . 1 1 111 111 THR N N 15 130.618 0.15 . 1 . . . . . . . . 5366 1 1408 . 1 1 111 111 THR H H 1 7.269 0.03 . 1 . . . . . . . . 5366 1 1409 . 1 1 111 111 THR CA C 13 61.958 0.12 . 1 . . . . . . . . 5366 1 1410 . 1 1 111 111 THR HA H 1 4.180 0.03 . 1 . . . . . . . . 5366 1 1411 . 1 1 111 111 THR CB C 13 71.821 0.12 . 1 . . . . . . . . 5366 1 1412 . 1 1 111 111 THR HB H 1 4.470 0.03 . 1 . . . . . . . . 5366 1 1413 . 1 1 111 111 THR CG2 C 13 22.361 0.12 . 1 . . . . . . . . 5366 1 1414 . 1 1 111 111 THR HG21 H 1 1.430 0.03 . 1 . . . . . . . . 5366 1 1415 . 1 1 111 111 THR HG22 H 1 1.430 0.03 . 1 . . . . . . . . 5366 1 1416 . 1 1 111 111 THR HG23 H 1 1.430 0.03 . 1 . . . . . . . . 5366 1 1417 . 1 1 111 111 THR C C 13 172.945 0.12 . 1 . . . . . . . . 5366 1 1418 . 1 1 112 112 LYS N N 15 123.658 0.15 . 1 . . . . . . . . 5366 1 1419 . 1 1 112 112 LYS H H 1 8.598 0.03 . 1 . . . . . . . . 5366 1 1420 . 1 1 112 112 LYS CA C 13 59.495 0.12 . 1 . . . . . . . . 5366 1 1421 . 1 1 112 112 LYS HA H 1 3.982 0.03 . 1 . . . . . . . . 5366 1 1422 . 1 1 112 112 LYS CB C 13 32.291 0.12 . 1 . . . . . . . . 5366 1 1423 . 1 1 112 112 LYS HB2 H 1 1.815 0.03 . 1 . . . . . . . . 5366 1 1424 . 1 1 112 112 LYS HB3 H 1 1.815 0.03 . 1 . . . . . . . . 5366 1 1425 . 1 1 112 112 LYS CG C 13 25.257 0.12 . 1 . . . . . . . . 5366 1 1426 . 1 1 112 112 LYS HG2 H 1 1.490 0.03 . 2 . . . . . . . . 5366 1 1427 . 1 1 112 112 LYS HG3 H 1 1.425 0.03 . 2 . . . . . . . . 5366 1 1428 . 1 1 112 112 LYS CD C 13 29.405 0.12 . 1 . . . . . . . . 5366 1 1429 . 1 1 112 112 LYS HD2 H 1 1.720 0.03 . 2 . . . . . . . . 5366 1 1430 . 1 1 112 112 LYS HD3 H 1 1.620 0.03 . 2 . . . . . . . . 5366 1 1431 . 1 1 112 112 LYS CE C 13 42.572 0.12 . 1 . . . . . . . . 5366 1 1432 . 1 1 112 112 LYS HE2 H 1 3.020 0.03 . 1 . . . . . . . . 5366 1 1433 . 1 1 112 112 LYS HE3 H 1 3.020 0.03 . 1 . . . . . . . . 5366 1 1434 . 1 1 112 112 LYS C C 13 176.989 0.12 . 1 . . . . . . . . 5366 1 1435 . 1 1 113 113 ILE N N 15 114.720 0.15 . 1 . . . . . . . . 5366 1 1436 . 1 1 113 113 ILE H H 1 7.717 0.03 . 1 . . . . . . . . 5366 1 1437 . 1 1 113 113 ILE CA C 13 64.313 0.12 . 1 . . . . . . . . 5366 1 1438 . 1 1 113 113 ILE HA H 1 3.947 0.03 . 1 . . . . . . . . 5366 1 1439 . 1 1 113 113 ILE CB C 13 38.876 0.12 . 1 . . . . . . . . 5366 1 1440 . 1 1 113 113 ILE HB H 1 1.689 0.03 . 1 . . . . . . . . 5366 1 1441 . 1 1 113 113 ILE CG1 C 13 28.681 0.12 . 1 . . . . . . . . 5366 1 1442 . 1 1 113 113 ILE HG12 H 1 1.606 0.03 . 2 . . . . . . . . 5366 1 1443 . 1 1 113 113 ILE HG13 H 1 1.186 0.03 . 2 . . . . . . . . 5366 1 1444 . 1 1 113 113 ILE CD1 C 13 14.620 0.12 . 1 . . . . . . . . 5366 1 1445 . 1 1 113 113 ILE HD11 H 1 0.888 0.03 . 1 . . . . . . . . 5366 1 1446 . 1 1 113 113 ILE HD12 H 1 0.888 0.03 . 1 . . . . . . . . 5366 1 1447 . 1 1 113 113 ILE HD13 H 1 0.888 0.03 . 1 . . . . . . . . 5366 1 1448 . 1 1 113 113 ILE CG2 C 13 18.608 0.12 . 1 . . . . . . . . 5366 1 1449 . 1 1 113 113 ILE HG21 H 1 0.892 0.03 . 1 . . . . . . . . 5366 1 1450 . 1 1 113 113 ILE HG22 H 1 0.892 0.03 . 1 . . . . . . . . 5366 1 1451 . 1 1 113 113 ILE HG23 H 1 0.892 0.03 . 1 . . . . . . . . 5366 1 1452 . 1 1 113 113 ILE C C 13 176.550 0.12 . 1 . . . . . . . . 5366 1 1453 . 1 1 114 114 ALA N N 15 123.209 0.15 . 1 . . . . . . . . 5366 1 1454 . 1 1 114 114 ALA H H 1 8.103 0.03 . 1 . . . . . . . . 5366 1 1455 . 1 1 114 114 ALA CA C 13 55.477 0.12 . 1 . . . . . . . . 5366 1 1456 . 1 1 114 114 ALA HA H 1 4.160 0.03 . 1 . . . . . . . . 5366 1 1457 . 1 1 114 114 ALA CB C 13 18.943 0.12 . 1 . . . . . . . . 5366 1 1458 . 1 1 114 114 ALA HB1 H 1 1.495 0.03 . 1 . . . . . . . . 5366 1 1459 . 1 1 114 114 ALA HB2 H 1 1.495 0.03 . 1 . . . . . . . . 5366 1 1460 . 1 1 114 114 ALA HB3 H 1 1.495 0.03 . 1 . . . . . . . . 5366 1 1461 . 1 1 114 114 ALA C C 13 179.860 0.12 . 1 . . . . . . . . 5366 1 1462 . 1 1 115 115 GLN N N 15 121.073 0.15 . 1 . . . . . . . . 5366 1 1463 . 1 1 115 115 GLN H H 1 8.272 0.03 . 1 . . . . . . . . 5366 1 1464 . 1 1 115 115 GLN CA C 13 59.832 0.12 . 1 . . . . . . . . 5366 1 1465 . 1 1 115 115 GLN HA H 1 4.103 0.03 . 1 . . . . . . . . 5366 1 1466 . 1 1 115 115 GLN CB C 13 28.792 0.12 . 1 . . . . . . . . 5366 1 1467 . 1 1 115 115 GLN HB2 H 1 2.206 0.03 . 1 . . . . . . . . 5366 1 1468 . 1 1 115 115 GLN HB3 H 1 2.206 0.03 . 1 . . . . . . . . 5366 1 1469 . 1 1 115 115 GLN CG C 13 34.475 0.12 . 1 . . . . . . . . 5366 1 1470 . 1 1 115 115 GLN HG2 H 1 2.575 0.03 . 1 . . . . . . . . 5366 1 1471 . 1 1 115 115 GLN HG3 H 1 2.575 0.03 . 1 . . . . . . . . 5366 1 1472 . 1 1 115 115 GLN NE2 N 15 112.731 0.15 . 1 . . . . . . . . 5366 1 1473 . 1 1 115 115 GLN HE22 H 1 7.648 0.03 . 2 . . . . . . . . 5366 1 1474 . 1 1 115 115 GLN HE21 H 1 6.762 0.03 . 2 . . . . . . . . 5366 1 1475 . 1 1 115 115 GLN C C 13 176.528 0.12 . 1 . . . . . . . . 5366 1 1476 . 1 1 116 116 ASP N N 15 118.985 0.15 . 1 . . . . . . . . 5366 1 1477 . 1 1 116 116 ASP H H 1 9.021 0.03 . 1 . . . . . . . . 5366 1 1478 . 1 1 116 116 ASP CA C 13 56.975 0.12 . 1 . . . . . . . . 5366 1 1479 . 1 1 116 116 ASP HA H 1 4.476 0.03 . 1 . . . . . . . . 5366 1 1480 . 1 1 116 116 ASP CB C 13 40.595 0.12 . 1 . . . . . . . . 5366 1 1481 . 1 1 116 116 ASP HB2 H 1 2.795 0.03 . 2 . . . . . . . . 5366 1 1482 . 1 1 116 116 ASP HB3 H 1 2.634 0.03 . 2 . . . . . . . . 5366 1 1483 . 1 1 116 116 ASP C C 13 177.935 0.12 . 1 . . . . . . . . 5366 1 1484 . 1 1 117 117 PHE N N 15 121.940 0.15 . 1 . . . . . . . . 5366 1 1485 . 1 1 117 117 PHE H H 1 8.014 0.03 . 1 . . . . . . . . 5366 1 1486 . 1 1 117 117 PHE CA C 13 62.843 0.12 . 1 . . . . . . . . 5366 1 1487 . 1 1 117 117 PHE HA H 1 4.150 0.03 . 1 . . . . . . . . 5366 1 1488 . 1 1 117 117 PHE CB C 13 39.658 0.12 . 1 . . . . . . . . 5366 1 1489 . 1 1 117 117 PHE HB2 H 1 3.417 0.03 . 2 . . . . . . . . 5366 1 1490 . 1 1 117 117 PHE HB3 H 1 3.128 0.03 . 2 . . . . . . . . 5366 1 1491 . 1 1 117 117 PHE CD1 C 13 133.320 0.12 . 1 . . . . . . . . 5366 1 1492 . 1 1 117 117 PHE HD1 H 1 7.340 0.03 . 1 . . . . . . . . 5366 1 1493 . 1 1 117 117 PHE CE1 C 13 130.842 0.12 . 1 . . . . . . . . 5366 1 1494 . 1 1 117 117 PHE HE1 H 1 6.972 0.03 . 1 . . . . . . . . 5366 1 1495 . 1 1 117 117 PHE CZ C 13 128.720 0.12 . 1 . . . . . . . . 5366 1 1496 . 1 1 117 117 PHE HZ H 1 5.888 0.03 . 1 . . . . . . . . 5366 1 1497 . 1 1 117 117 PHE CE2 C 13 130.842 0.12 . 1 . . . . . . . . 5366 1 1498 . 1 1 117 117 PHE HE2 H 1 6.972 0.03 . 1 . . . . . . . . 5366 1 1499 . 1 1 117 117 PHE CD2 C 13 133.320 0.12 . 1 . . . . . . . . 5366 1 1500 . 1 1 117 117 PHE HD2 H 1 7.340 0.03 . 1 . . . . . . . . 5366 1 1501 . 1 1 117 117 PHE C C 13 173.702 0.12 . 1 . . . . . . . . 5366 1 1502 . 1 1 118 118 LEU N N 15 110.934 0.15 . 1 . . . . . . . . 5366 1 1503 . 1 1 118 118 LEU H H 1 6.302 0.03 . 1 . . . . . . . . 5366 1 1504 . 1 1 118 118 LEU CA C 13 53.261 0.12 . 1 . . . . . . . . 5366 1 1505 . 1 1 118 118 LEU HA H 1 4.352 0.03 . 1 . . . . . . . . 5366 1 1506 . 1 1 118 118 LEU CB C 13 42.080 0.12 . 1 . . . . . . . . 5366 1 1507 . 1 1 118 118 LEU HB2 H 1 1.595 0.03 . 2 . . . . . . . . 5366 1 1508 . 1 1 118 118 LEU HB3 H 1 1.292 0.03 . 2 . . . . . . . . 5366 1 1509 . 1 1 118 118 LEU CG C 13 26.900 0.12 . 1 . . . . . . . . 5366 1 1510 . 1 1 118 118 LEU HG H 1 1.830 0.03 . 1 . . . . . . . . 5366 1 1511 . 1 1 118 118 LEU CD1 C 13 26.179 0.12 . 1 . . . . . . . . 5366 1 1512 . 1 1 118 118 LEU HD11 H 1 0.230 0.03 . 1 . . . . . . . . 5366 1 1513 . 1 1 118 118 LEU HD12 H 1 0.230 0.03 . 1 . . . . . . . . 5366 1 1514 . 1 1 118 118 LEU HD13 H 1 0.230 0.03 . 1 . . . . . . . . 5366 1 1515 . 1 1 118 118 LEU CD2 C 13 23.282 0.12 . 1 . . . . . . . . 5366 1 1516 . 1 1 118 118 LEU HD21 H 1 0.533 0.03 . 1 . . . . . . . . 5366 1 1517 . 1 1 118 118 LEU HD22 H 1 0.533 0.03 . 1 . . . . . . . . 5366 1 1518 . 1 1 118 118 LEU HD23 H 1 0.533 0.03 . 1 . . . . . . . . 5366 1 1519 . 1 1 118 118 LEU C C 13 171.845 0.12 . 1 . . . . . . . . 5366 1 1520 . 1 1 119 119 GLN N N 15 115.677 0.15 . 1 . . . . . . . . 5366 1 1521 . 1 1 119 119 GLN H H 1 7.716 0.03 . 1 . . . . . . . . 5366 1 1522 . 1 1 119 119 GLN CA C 13 56.913 0.12 . 1 . . . . . . . . 5366 1 1523 . 1 1 119 119 GLN HA H 1 3.975 0.03 . 1 . . . . . . . . 5366 1 1524 . 1 1 119 119 GLN CB C 13 26.202 0.12 . 1 . . . . . . . . 5366 1 1525 . 1 1 119 119 GLN HB2 H 1 2.110 0.03 . 2 . . . . . . . . 5366 1 1526 . 1 1 119 119 GLN HB3 H 1 1.900 0.03 . 2 . . . . . . . . 5366 1 1527 . 1 1 119 119 GLN CG C 13 34.475 0.12 . 1 . . . . . . . . 5366 1 1528 . 1 1 119 119 GLN HG2 H 1 2.353 0.03 . 2 . . . . . . . . 5366 1 1529 . 1 1 119 119 GLN HG3 H 1 2.165 0.03 . 2 . . . . . . . . 5366 1 1530 . 1 1 119 119 GLN NE2 N 15 111.740 0.15 . 1 . . . . . . . . 5366 1 1531 . 1 1 119 119 GLN HE22 H 1 7.531 0.03 . 2 . . . . . . . . 5366 1 1532 . 1 1 119 119 GLN HE21 H 1 6.771 0.03 . 2 . . . . . . . . 5366 1 1533 . 1 1 119 119 GLN C C 13 173.855 0.12 . 1 . . . . . . . . 5366 1 1534 . 1 1 120 120 LEU N N 15 117.273 0.15 . 1 . . . . . . . . 5366 1 1535 . 1 1 120 120 LEU H H 1 8.212 0.03 . 1 . . . . . . . . 5366 1 1536 . 1 1 120 120 LEU CA C 13 55.615 0.12 . 1 . . . . . . . . 5366 1 1537 . 1 1 120 120 LEU HA H 1 4.220 0.03 . 1 . . . . . . . . 5366 1 1538 . 1 1 120 120 LEU CB C 13 42.799 0.12 . 1 . . . . . . . . 5366 1 1539 . 1 1 120 120 LEU HB2 H 1 1.688 0.03 . 2 . . . . . . . . 5366 1 1540 . 1 1 120 120 LEU HB3 H 1 1.568 0.03 . 2 . . . . . . . . 5366 1 1541 . 1 1 120 120 LEU CG C 13 26.900 0.12 . 1 . . . . . . . . 5366 1 1542 . 1 1 120 120 LEU HG H 1 1.540 0.03 . 1 . . . . . . . . 5366 1 1543 . 1 1 120 120 LEU CD1 C 13 26.377 0.12 . 1 . . . . . . . . 5366 1 1544 . 1 1 120 120 LEU HD11 H 1 0.900 0.03 . 1 . . . . . . . . 5366 1 1545 . 1 1 120 120 LEU HD12 H 1 0.900 0.03 . 1 . . . . . . . . 5366 1 1546 . 1 1 120 120 LEU HD13 H 1 0.900 0.03 . 1 . . . . . . . . 5366 1 1547 . 1 1 120 120 LEU CD2 C 13 22.887 0.12 . 1 . . . . . . . . 5366 1 1548 . 1 1 120 120 LEU HD21 H 1 0.759 0.03 . 1 . . . . . . . . 5366 1 1549 . 1 1 120 120 LEU HD22 H 1 0.759 0.03 . 1 . . . . . . . . 5366 1 1550 . 1 1 120 120 LEU HD23 H 1 0.759 0.03 . 1 . . . . . . . . 5366 1 1551 . 1 1 120 120 LEU C C 13 175.960 0.12 . 1 . . . . . . . . 5366 1 1552 . 1 1 121 121 SER N N 15 114.436 0.15 . 1 . . . . . . . . 5366 1 1553 . 1 1 121 121 SER H H 1 8.038 0.03 . 1 . . . . . . . . 5366 1 1554 . 1 1 121 121 SER CA C 13 58.126 0.12 . 1 . . . . . . . . 5366 1 1555 . 1 1 121 121 SER HA H 1 4.450 0.03 . 1 . . . . . . . . 5366 1 1556 . 1 1 121 121 SER CB C 13 64.363 0.12 . 1 . . . . . . . . 5366 1 1557 . 1 1 121 121 SER HB2 H 1 3.808 0.03 . 1 . . . . . . . . 5366 1 1558 . 1 1 121 121 SER HB3 H 1 3.808 0.03 . 1 . . . . . . . . 5366 1 1559 . 1 1 121 121 SER C C 13 171.900 0.12 . 1 . . . . . . . . 5366 1 1560 . 1 1 122 122 LYS N N 15 123.828 0.15 . 1 . . . . . . . . 5366 1 1561 . 1 1 122 122 LYS H H 1 8.236 0.03 . 1 . . . . . . . . 5366 1 1562 . 1 1 122 122 LYS CA C 13 54.600 0.12 . 1 . . . . . . . . 5366 1 1563 . 1 1 122 122 LYS HA H 1 4.620 0.03 . 1 . . . . . . . . 5366 1 1564 . 1 1 122 122 LYS CB C 13 33.130 0.12 . 1 . . . . . . . . 5366 1 1565 . 1 1 122 122 LYS HB2 H 1 1.820 0.03 . 2 . . . . . . . . 5366 1 1566 . 1 1 122 122 LYS HB3 H 1 1.720 0.03 . 2 . . . . . . . . 5366 1 1567 . 1 1 122 122 LYS CG C 13 25.000 0.12 . 1 . . . . . . . . 5366 1 1568 . 1 1 122 122 LYS HG2 H 1 1.440 0.03 . 1 . . . . . . . . 5366 1 1569 . 1 1 122 122 LYS HG3 H 1 1.440 0.03 . 1 . . . . . . . . 5366 1 1570 . 1 1 122 122 LYS CD C 13 29.500 0.12 . 1 . . . . . . . . 5366 1 1571 . 1 1 122 122 LYS HD2 H 1 1.660 0.03 . 1 . . . . . . . . 5366 1 1572 . 1 1 122 122 LYS HD3 H 1 1.660 0.03 . 1 . . . . . . . . 5366 1 1573 . 1 1 122 122 LYS CE C 13 42.500 0.12 . 1 . . . . . . . . 5366 1 1574 . 1 1 122 122 LYS HE2 H 1 2.970 0.03 . 1 . . . . . . . . 5366 1 1575 . 1 1 122 122 LYS HE3 H 1 2.970 0.03 . 1 . . . . . . . . 5366 1 1576 . 1 1 122 122 LYS C C 13 172.800 0.12 . 1 . . . . . . . . 5366 1 1577 . 1 1 123 123 PRO CA C 13 63.817 0.12 . 1 . . . . . . . . 5366 1 1578 . 1 1 123 123 PRO HA H 1 4.402 0.03 . 1 . . . . . . . . 5366 1 1579 . 1 1 123 123 PRO CB C 13 32.210 0.12 . 1 . . . . . . . . 5366 1 1580 . 1 1 123 123 PRO HB2 H 1 2.259 0.03 . 2 . . . . . . . . 5366 1 1581 . 1 1 123 123 PRO HB3 H 1 1.938 0.03 . 2 . . . . . . . . 5366 1 1582 . 1 1 123 123 PRO CG C 13 27.618 0.12 . 1 . . . . . . . . 5366 1 1583 . 1 1 123 123 PRO HG2 H 1 1.980 0.03 . 1 . . . . . . . . 5366 1 1584 . 1 1 123 123 PRO HG3 H 1 1.980 0.03 . 1 . . . . . . . . 5366 1 1585 . 1 1 123 123 PRO CD C 13 50.937 0.12 . 1 . . . . . . . . 5366 1 1586 . 1 1 123 123 PRO HD2 H 1 3.780 0.03 . 2 . . . . . . . . 5366 1 1587 . 1 1 123 123 PRO HD3 H 1 3.650 0.03 . 2 . . . . . . . . 5366 1 1588 . 1 1 123 123 PRO C C 13 173.867 0.12 . 1 . . . . . . . . 5366 1 1589 . 1 1 124 124 ASN N N 15 123.826 0.15 . 1 . . . . . . . . 5366 1 1590 . 1 1 124 124 ASN H H 1 7.943 0.03 . 1 . . . . . . . . 5366 1 1591 . 1 1 124 124 ASN CA C 13 55.061 0.12 . 1 . . . . . . . . 5366 1 1592 . 1 1 124 124 ASN HA H 1 4.415 0.03 . 1 . . . . . . . . 5366 1 1593 . 1 1 124 124 ASN CB C 13 40.577 0.12 . 1 . . . . . . . . 5366 1 1594 . 1 1 124 124 ASN HB2 H 1 2.710 0.03 . 1 . . . . . . . . 5366 1 1595 . 1 1 124 124 ASN HB3 H 1 2.710 0.03 . 1 . . . . . . . . 5366 1 1596 . 1 1 124 124 ASN ND2 N 15 112.723 0.15 . 1 . . . . . . . . 5366 1 1597 . 1 1 124 124 ASN HD22 H 1 7.486 0.03 . 2 . . . . . . . . 5366 1 1598 . 1 1 124 124 ASN HD21 H 1 6.791 0.03 . 2 . . . . . . . . 5366 1 1599 . 1 1 124 124 ASN C C 13 177.500 0.12 . 1 . . . . . . . . 5366 1 stop_ save_