data_6133 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6133 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for YojN-HPt ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-03-01 _Entry.Accession_date 2004-03-04 _Entry.Last_release_date 2004-09-30 _Entry.Original_release_date 2004-09-30 _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 Vladimir Rogov . V. . 6133 2 Frank Loehr . . . 6133 3 Frank Bernhard . . . 6133 4 Volker Doetsch . . . 6133 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6133 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 784 6133 '13C chemical shifts' 524 6133 '15N chemical shifts' 121 6133 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 . . 2004-09-30 2004-03-01 original author . 6133 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6133 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15452440 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of 1H, 13C and 15N resonances of the Escherichia coli YojN Histidine-Phosphotransferase (HPt) domain. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 1 _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 103 _Citation.Page_last 104 _Citation.Year 2004 _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 Vladimir Rogov . V. . 6133 1 2 Frank Loehr . . . 6133 1 3 Frank Bernhard . . . 6133 1 4 Volker Doetsch . . . 6133 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'sensor kinase' 6133 1 NMR 6133 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6133 _Assembly.ID 1 _Assembly.Name YojN-HPt _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Histidine-Phosphotransferase domain of YojN sensor kinase' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6133 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 YojN-HPt 1 $YojN-HPt . . . native . . . . . 6133 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID YojN-HPt system 6133 1 YojN-HPt abbreviation 6133 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Histidine Phosphotransferase' 6133 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YojN-HPt _Entity.Sf_category entity _Entity.Sf_framecode YojN-HPt _Entity.Entry_ID 6133 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YojN-HPt _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 ; MQEAVLQLIEVQLAQEEVTE SPLGGDENAQLHASGYYALF VDTVPDDVKRLYTEAATSDF AALAQTAHRLKGVFAMLNLV PGKQLCETLEHLIREKDVPG IEKYISDIDSYVKSLL ; _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 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12840 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'C-terminal domain of YojN sensor kinase (res. 775-890) possessing Histidine-Phosphotransferase activity' _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 1SR2 . "Solution Structure Of The Escherichia Coli Yojn Histidine- Phosphotransferase (Hpt) Domain" . . . . . 100.00 116 100.00 100.00 1.78e-77 . . . . 6133 1 2 no DBJ BAA15999 . "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 890 100.00 100.00 3.02e-71 . . . . 6133 1 3 no DBJ BAB36528 . "putative 2-component sensor protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 890 100.00 100.00 3.31e-71 . . . . 6133 1 4 no DBJ BAG78008 . "two-component sensor kinase [Escherichia coli SE11]" . . . . . 100.00 890 100.00 100.00 3.18e-71 . . . . 6133 1 5 no DBJ BAI26355 . "phosphotransfer intermediate protein RcsD in two-component regulatory system with RcsBC [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 890 100.00 100.00 3.31e-71 . . . . 6133 1 6 no DBJ BAI31463 . "phosphotransfer intermediate protein RcsD in two-component regulatory system with RcsBC [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 890 100.00 100.00 3.24e-71 . . . . 6133 1 7 no EMBL CAP76719 . "Sensor-like histidine kinase yojN [Escherichia coli LF82]" . . . . . 100.00 890 100.00 100.00 2.76e-71 . . . . 6133 1 8 no EMBL CAQ99144 . "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Escherichia coli IAI1]" . . . . . 100.00 890 100.00 100.00 3.44e-71 . . . . 6133 1 9 no EMBL CAR03645 . "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Escherichia coli S88]" . . . . . 100.00 890 100.00 100.00 2.93e-71 . . . . 6133 1 10 no EMBL CAR08863 . "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Escherichia coli ED1a]" . . . . . 100.00 890 100.00 100.00 2.90e-71 . . . . 6133 1 11 no EMBL CAR13737 . "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Escherichia coli UMN026]" . . . . . 100.00 890 100.00 100.00 2.82e-71 . . . . 6133 1 12 no GB AAC75276 . "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 890 100.00 100.00 3.02e-71 . . . . 6133 1 13 no GB AAG57351 . "putative 2-component sensor protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 890 100.00 100.00 3.31e-71 . . . . 6133 1 14 no GB AAN43818 . "putative 2-component sensor protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 890 100.00 100.00 2.99e-71 . . . . 6133 1 15 no GB AAN81213 . "Putative sensor-like histidine kinase yojN [Escherichia coli CFT073]" . . . . . 100.00 890 100.00 100.00 2.76e-71 . . . . 6133 1 16 no GB AAP17635 . "putative 2-component sensor protein [Shigella flexneri 2a str. 2457T]" . . . . . 100.00 890 100.00 100.00 3.18e-71 . . . . 6133 1 17 no REF NP_288796 . "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 890 100.00 100.00 3.31e-71 . . . . 6133 1 18 no REF NP_311132 . "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 890 100.00 100.00 3.31e-71 . . . . 6133 1 19 no REF NP_416720 . "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 890 100.00 100.00 3.02e-71 . . . . 6133 1 20 no REF NP_708111 . "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Shigella flexneri 2a str. 301]" . . . . . 100.00 890 100.00 100.00 2.99e-71 . . . . 6133 1 21 no REF NP_754645 . "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Escherichia coli CFT073]" . . . . . 100.00 890 100.00 100.00 2.76e-71 . . . . 6133 1 22 no SP P39838 . "RecName: Full=Phosphotransferase RcsD; AltName: Full=Phosphotransfer intermediate RcsD [Escherichia coli K-12]" . . . . . 100.00 890 100.00 100.00 3.02e-71 . . . . 6133 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Phosphor transfer' 6133 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID YojN-HPt common 6133 1 YojN-HPt variant 6133 1 YojN-HPt abbreviation 6133 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 6133 1 2 2 GLN . 6133 1 3 3 GLU . 6133 1 4 4 ALA . 6133 1 5 5 VAL . 6133 1 6 6 LEU . 6133 1 7 7 GLN . 6133 1 8 8 LEU . 6133 1 9 9 ILE . 6133 1 10 10 GLU . 6133 1 11 11 VAL . 6133 1 12 12 GLN . 6133 1 13 13 LEU . 6133 1 14 14 ALA . 6133 1 15 15 GLN . 6133 1 16 16 GLU . 6133 1 17 17 GLU . 6133 1 18 18 VAL . 6133 1 19 19 THR . 6133 1 20 20 GLU . 6133 1 21 21 SER . 6133 1 22 22 PRO . 6133 1 23 23 LEU . 6133 1 24 24 GLY . 6133 1 25 25 GLY . 6133 1 26 26 ASP . 6133 1 27 27 GLU . 6133 1 28 28 ASN . 6133 1 29 29 ALA . 6133 1 30 30 GLN . 6133 1 31 31 LEU . 6133 1 32 32 HIS . 6133 1 33 33 ALA . 6133 1 34 34 SER . 6133 1 35 35 GLY . 6133 1 36 36 TYR . 6133 1 37 37 TYR . 6133 1 38 38 ALA . 6133 1 39 39 LEU . 6133 1 40 40 PHE . 6133 1 41 41 VAL . 6133 1 42 42 ASP . 6133 1 43 43 THR . 6133 1 44 44 VAL . 6133 1 45 45 PRO . 6133 1 46 46 ASP . 6133 1 47 47 ASP . 6133 1 48 48 VAL . 6133 1 49 49 LYS . 6133 1 50 50 ARG . 6133 1 51 51 LEU . 6133 1 52 52 TYR . 6133 1 53 53 THR . 6133 1 54 54 GLU . 6133 1 55 55 ALA . 6133 1 56 56 ALA . 6133 1 57 57 THR . 6133 1 58 58 SER . 6133 1 59 59 ASP . 6133 1 60 60 PHE . 6133 1 61 61 ALA . 6133 1 62 62 ALA . 6133 1 63 63 LEU . 6133 1 64 64 ALA . 6133 1 65 65 GLN . 6133 1 66 66 THR . 6133 1 67 67 ALA . 6133 1 68 68 HIS . 6133 1 69 69 ARG . 6133 1 70 70 LEU . 6133 1 71 71 LYS . 6133 1 72 72 GLY . 6133 1 73 73 VAL . 6133 1 74 74 PHE . 6133 1 75 75 ALA . 6133 1 76 76 MET . 6133 1 77 77 LEU . 6133 1 78 78 ASN . 6133 1 79 79 LEU . 6133 1 80 80 VAL . 6133 1 81 81 PRO . 6133 1 82 82 GLY . 6133 1 83 83 LYS . 6133 1 84 84 GLN . 6133 1 85 85 LEU . 6133 1 86 86 CYS . 6133 1 87 87 GLU . 6133 1 88 88 THR . 6133 1 89 89 LEU . 6133 1 90 90 GLU . 6133 1 91 91 HIS . 6133 1 92 92 LEU . 6133 1 93 93 ILE . 6133 1 94 94 ARG . 6133 1 95 95 GLU . 6133 1 96 96 LYS . 6133 1 97 97 ASP . 6133 1 98 98 VAL . 6133 1 99 99 PRO . 6133 1 100 100 GLY . 6133 1 101 101 ILE . 6133 1 102 102 GLU . 6133 1 103 103 LYS . 6133 1 104 104 TYR . 6133 1 105 105 ILE . 6133 1 106 106 SER . 6133 1 107 107 ASP . 6133 1 108 108 ILE . 6133 1 109 109 ASP . 6133 1 110 110 SER . 6133 1 111 111 TYR . 6133 1 112 112 VAL . 6133 1 113 113 LYS . 6133 1 114 114 SER . 6133 1 115 115 LEU . 6133 1 116 116 LEU . 6133 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6133 1 . GLN 2 2 6133 1 . GLU 3 3 6133 1 . ALA 4 4 6133 1 . VAL 5 5 6133 1 . LEU 6 6 6133 1 . GLN 7 7 6133 1 . LEU 8 8 6133 1 . ILE 9 9 6133 1 . GLU 10 10 6133 1 . VAL 11 11 6133 1 . GLN 12 12 6133 1 . LEU 13 13 6133 1 . ALA 14 14 6133 1 . GLN 15 15 6133 1 . GLU 16 16 6133 1 . GLU 17 17 6133 1 . VAL 18 18 6133 1 . THR 19 19 6133 1 . GLU 20 20 6133 1 . SER 21 21 6133 1 . PRO 22 22 6133 1 . LEU 23 23 6133 1 . GLY 24 24 6133 1 . GLY 25 25 6133 1 . ASP 26 26 6133 1 . GLU 27 27 6133 1 . ASN 28 28 6133 1 . ALA 29 29 6133 1 . GLN 30 30 6133 1 . LEU 31 31 6133 1 . HIS 32 32 6133 1 . ALA 33 33 6133 1 . SER 34 34 6133 1 . GLY 35 35 6133 1 . TYR 36 36 6133 1 . TYR 37 37 6133 1 . ALA 38 38 6133 1 . LEU 39 39 6133 1 . PHE 40 40 6133 1 . VAL 41 41 6133 1 . ASP 42 42 6133 1 . THR 43 43 6133 1 . VAL 44 44 6133 1 . PRO 45 45 6133 1 . ASP 46 46 6133 1 . ASP 47 47 6133 1 . VAL 48 48 6133 1 . LYS 49 49 6133 1 . ARG 50 50 6133 1 . LEU 51 51 6133 1 . TYR 52 52 6133 1 . THR 53 53 6133 1 . GLU 54 54 6133 1 . ALA 55 55 6133 1 . ALA 56 56 6133 1 . THR 57 57 6133 1 . SER 58 58 6133 1 . ASP 59 59 6133 1 . PHE 60 60 6133 1 . ALA 61 61 6133 1 . ALA 62 62 6133 1 . LEU 63 63 6133 1 . ALA 64 64 6133 1 . GLN 65 65 6133 1 . THR 66 66 6133 1 . ALA 67 67 6133 1 . HIS 68 68 6133 1 . ARG 69 69 6133 1 . LEU 70 70 6133 1 . LYS 71 71 6133 1 . GLY 72 72 6133 1 . VAL 73 73 6133 1 . PHE 74 74 6133 1 . ALA 75 75 6133 1 . MET 76 76 6133 1 . LEU 77 77 6133 1 . ASN 78 78 6133 1 . LEU 79 79 6133 1 . VAL 80 80 6133 1 . PRO 81 81 6133 1 . GLY 82 82 6133 1 . LYS 83 83 6133 1 . GLN 84 84 6133 1 . LEU 85 85 6133 1 . CYS 86 86 6133 1 . GLU 87 87 6133 1 . THR 88 88 6133 1 . LEU 89 89 6133 1 . GLU 90 90 6133 1 . HIS 91 91 6133 1 . LEU 92 92 6133 1 . ILE 93 93 6133 1 . ARG 94 94 6133 1 . GLU 95 95 6133 1 . LYS 96 96 6133 1 . ASP 97 97 6133 1 . VAL 98 98 6133 1 . PRO 99 99 6133 1 . GLY 100 100 6133 1 . ILE 101 101 6133 1 . GLU 102 102 6133 1 . LYS 103 103 6133 1 . TYR 104 104 6133 1 . ILE 105 105 6133 1 . SER 106 106 6133 1 . ASP 107 107 6133 1 . ILE 108 108 6133 1 . ASP 109 109 6133 1 . SER 110 110 6133 1 . TYR 111 111 6133 1 . VAL 112 112 6133 1 . LYS 113 113 6133 1 . SER 114 114 6133 1 . LEU 115 115 6133 1 . LEU 116 116 6133 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 6133 _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 $YojN-HPt . 562 organism . 'Escherichia coli' 'Escherichia coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6133 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 6133 _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 $YojN-HPt . 'recombinant technology' Escherichia 'E. coli' . . Escherichia . coli . . . . . . . . . . . . . . . M15 . . . . . . 6133 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6133 _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 YojN-HPt . . . 1 $YojN-HPt . . 1 . . mM . . . . 6133 1 2 Bis-Tris . . . . . . . 15 . . mM . . . . 6133 1 3 NaCl . . . . . . . 15 . . mM . . . . 6133 1 4 H2O . . . . . . . 99.99 . . % . . . . 6133 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6133 _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 YojN-HPt '[U-95% 13C; U-95% 15N]' . . 1 $YojN-HPt . . 1 . . mM . . . . 6133 2 2 Bis-Tris . . . . . . . 15 . . mM . . . . 6133 2 3 NaCl . . . . . . . 15 . . mM . . . . 6133 2 4 H2O . . . . . . . 5 . . % . . . . 6133 2 5 D2O . . . . . . . 95 . . % . . . . 6133 2 stop_ save_ ####################### # Sample conditions # ####################### save_Conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Conditions_1 _Sample_condition_list.Entry_ID 6133 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.05 pH 6133 1 temperature 293 0.5 K 6133 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6133 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6133 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6133 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6133 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DMX . 500 . . . 6133 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 6133 1 3 NMR_spectrometer_3 Bruker Avance . 700 . . . 6133 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 6133 _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, 1H]-TROSY-HNCO' . . . . . . . . . . . . . . . . 1 $Conditions_1 . . . . . . . . . . . . . . . . . . . . . 6133 1 2 '3D (HCA)CO(CA)NH' . . . . . . . . . . . . . . . . 1 $Conditions_1 . . . . . . . . . . . . . . . . . . . . . 6133 1 3 '3D [15N, 1H]-TROSY-HNCACB' . . . . . . . . . . . . . . . . 1 $Conditions_1 . . . . . . . . . . . . . . . . . . . . . 6133 1 4 '3D HBHA(CBCA)(CO)NH' . . . . . . . . . . . . . . . . 1 $Conditions_1 . . . . . . . . . . . . . . . . . . . . . 6133 1 5 '3D H(CC)(CO)NH-TOCSY' . . . . . . . . . . . . . . . . 1 $Conditions_1 . . . . . . . . . . . . . . . . . . . . . 6133 1 6 '3D (H)C(C)(CO)NH-TOCSY' . . . . . . . . . . . . . . . . 1 $Conditions_1 . . . . . . . . . . . . . . . . . . . . . 6133 1 7 '3D 15N-edited TOCSY-HSQC' . . . . . . . . . . . . . . . . 1 $Conditions_1 . . . . . . . . . . . . . . . . . . . . . 6133 1 8 '2D TOCSY in 2H2O' . . . . . . . . . . . . . . . . 1 $Conditions_1 . . . . . . . . . . . . . . . . . . . . . 6133 1 stop_ 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 6133 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.00000 . . . . . . . . . 6133 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 6133 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 6133 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_1 _Assigned_chem_shift_list.Entry_ID 6133 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Conditions_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 . 6133 1 . . 2 $sample_2 . 6133 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.540 0.030 . 1 . . . . . . . . 6133 1 2 . 1 1 1 1 MET N N 15 122.140 0.130 . 1 . . . . . . . . 6133 1 3 . 1 1 1 1 MET CA C 13 55.920 0.130 . 1 . . . . . . . . 6133 1 4 . 1 1 1 1 MET HA H 1 4.460 0.030 . 1 . . . . . . . . 6133 1 5 . 1 1 1 1 MET C C 13 176.350 0.130 . 1 . . . . . . . . 6133 1 6 . 1 1 1 1 MET CB C 13 32.600 0.130 . 1 . . . . . . . . 6133 1 7 . 1 1 1 1 MET HB2 H 1 2.080 0.030 . 1 . . . . . . . . 6133 1 8 . 1 1 1 1 MET HB3 H 1 2.020 0.030 . 1 . . . . . . . . 6133 1 9 . 1 1 1 1 MET CG C 13 31.180 0.130 . 1 . . . . . . . . 6133 1 10 . 1 1 1 1 MET HG2 H 1 2.570 0.030 . 1 . . . . . . . . 6133 1 11 . 1 1 1 1 MET HG3 H 1 2.490 0.030 . 1 . . . . . . . . 6133 1 12 . 1 1 2 2 GLN H H 1 8.370 0.030 . 1 . . . . . . . . 6133 1 13 . 1 1 2 2 GLN N N 15 120.680 0.130 . 1 . . . . . . . . 6133 1 14 . 1 1 2 2 GLN CA C 13 56.550 0.130 . 1 . . . . . . . . 6133 1 15 . 1 1 2 2 GLN HA H 1 4.270 0.030 . 1 . . . . . . . . 6133 1 16 . 1 1 2 2 GLN C C 13 176.130 0.130 . 1 . . . . . . . . 6133 1 17 . 1 1 2 2 GLN CB C 13 29.230 0.130 . 1 . . . . . . . . 6133 1 18 . 1 1 2 2 GLN HB2 H 1 2.090 0.030 . 1 . . . . . . . . 6133 1 19 . 1 1 2 2 GLN HB3 H 1 2.000 0.030 . 1 . . . . . . . . 6133 1 20 . 1 1 2 2 GLN CG C 13 33.730 0.130 . 1 . . . . . . . . 6133 1 21 . 1 1 2 2 GLN NE2 N 15 112.500 0.130 . 1 . . . . . . . . 6133 1 22 . 1 1 2 2 GLN HE21 H 1 7.560 0.030 . 1 . . . . . . . . 6133 1 23 . 1 1 2 2 GLN HE22 H 1 6.870 0.030 . 1 . . . . . . . . 6133 1 24 . 1 1 3 3 GLU H H 1 8.370 0.030 . 1 . . . . . . . . 6133 1 25 . 1 1 3 3 GLU N N 15 121.560 0.130 . 1 . . . . . . . . 6133 1 26 . 1 1 3 3 GLU CA C 13 57.170 0.130 . 1 . . . . . . . . 6133 1 27 . 1 1 3 3 GLU HA H 1 4.180 0.030 . 1 . . . . . . . . 6133 1 28 . 1 1 3 3 GLU C C 13 176.460 0.130 . 1 . . . . . . . . 6133 1 29 . 1 1 3 3 GLU CB C 13 30.160 0.130 . 1 . . . . . . . . 6133 1 30 . 1 1 3 3 GLU HB2 H 1 2.060 0.030 . 1 . . . . . . . . 6133 1 31 . 1 1 3 3 GLU HB3 H 1 1.960 0.030 . 1 . . . . . . . . 6133 1 32 . 1 1 3 3 GLU CG C 13 36.230 0.130 . 1 . . . . . . . . 6133 1 33 . 1 1 3 3 GLU HG2 H 1 2.280 0.030 . 2 . . . . . . . . 6133 1 34 . 1 1 4 4 ALA H H 1 8.250 0.030 . 1 . . . . . . . . 6133 1 35 . 1 1 4 4 ALA N N 15 124.110 0.130 . 1 . . . . . . . . 6133 1 36 . 1 1 4 4 ALA CA C 13 52.950 0.130 . 1 . . . . . . . . 6133 1 37 . 1 1 4 4 ALA HA H 1 4.260 0.030 . 1 . . . . . . . . 6133 1 38 . 1 1 4 4 ALA C C 13 178.000 0.130 . 1 . . . . . . . . 6133 1 39 . 1 1 4 4 ALA CB C 13 18.890 0.130 . 1 . . . . . . . . 6133 1 40 . 1 1 4 4 ALA HB1 H 1 1.390 0.030 . 1 . . . . . . . . 6133 1 41 . 1 1 4 4 ALA HB2 H 1 1.390 0.030 . 1 . . . . . . . . 6133 1 42 . 1 1 4 4 ALA HB3 H 1 1.390 0.030 . 1 . . . . . . . . 6133 1 43 . 1 1 5 5 VAL H H 1 8.000 0.030 . 1 . . . . . . . . 6133 1 44 . 1 1 5 5 VAL N N 15 118.930 0.130 . 1 . . . . . . . . 6133 1 45 . 1 1 5 5 VAL CA C 13 62.950 0.130 . 1 . . . . . . . . 6133 1 46 . 1 1 5 5 VAL HA H 1 4.000 0.030 . 1 . . . . . . . . 6133 1 47 . 1 1 5 5 VAL C C 13 176.350 0.130 . 1 . . . . . . . . 6133 1 48 . 1 1 5 5 VAL CB C 13 32.440 0.130 . 1 . . . . . . . . 6133 1 49 . 1 1 5 5 VAL HB H 1 2.060 0.030 . 1 . . . . . . . . 6133 1 50 . 1 1 5 5 VAL CG1 C 13 21.100 0.130 . 1 . . . . . . . . 6133 1 51 . 1 1 5 5 VAL HG11 H 1 0.920 0.030 . 1 . . . . . . . . 6133 1 52 . 1 1 5 5 VAL HG12 H 1 0.920 0.030 . 1 . . . . . . . . 6133 1 53 . 1 1 5 5 VAL HG13 H 1 0.920 0.030 . 1 . . . . . . . . 6133 1 54 . 1 1 5 5 VAL CG2 C 13 20.870 0.130 . 1 . . . . . . . . 6133 1 55 . 1 1 5 5 VAL HG21 H 1 0.960 0.030 . 1 . . . . . . . . 6133 1 56 . 1 1 5 5 VAL HG22 H 1 0.960 0.030 . 1 . . . . . . . . 6133 1 57 . 1 1 5 5 VAL HG23 H 1 0.960 0.030 . 1 . . . . . . . . 6133 1 58 . 1 1 6 6 LEU H H 1 8.140 0.030 . 1 . . . . . . . . 6133 1 59 . 1 1 6 6 LEU N N 15 124.470 0.130 . 1 . . . . . . . . 6133 1 60 . 1 1 6 6 LEU CA C 13 55.420 0.130 . 1 . . . . . . . . 6133 1 61 . 1 1 6 6 LEU HA H 1 4.230 0.030 . 1 . . . . . . . . 6133 1 62 . 1 1 6 6 LEU C C 13 177.340 0.130 . 1 . . . . . . . . 6133 1 63 . 1 1 6 6 LEU CB C 13 42.170 0.130 . 1 . . . . . . . . 6133 1 64 . 1 1 6 6 LEU HB2 H 1 1.670 0.030 . 1 . . . . . . . . 6133 1 65 . 1 1 6 6 LEU HB3 H 1 1.570 0.030 . 1 . . . . . . . . 6133 1 66 . 1 1 6 6 LEU CG C 13 26.880 0.130 . 1 . . . . . . . . 6133 1 67 . 1 1 6 6 LEU CD1 C 13 24.692 0.130 . 1 . . . . . . . . 6133 1 68 . 1 1 6 6 LEU HD11 H 1 0.890 0.030 . 1 . . . . . . . . 6133 1 69 . 1 1 6 6 LEU HD12 H 1 0.890 0.030 . 1 . . . . . . . . 6133 1 70 . 1 1 6 6 LEU HD13 H 1 0.890 0.030 . 1 . . . . . . . . 6133 1 71 . 1 1 6 6 LEU CD2 C 13 23.520 0.130 . 1 . . . . . . . . 6133 1 72 . 1 1 6 6 LEU HD21 H 1 0.860 0.030 . 1 . . . . . . . . 6133 1 73 . 1 1 6 6 LEU HD22 H 1 0.860 0.030 . 1 . . . . . . . . 6133 1 74 . 1 1 6 6 LEU HD23 H 1 0.860 0.030 . 1 . . . . . . . . 6133 1 75 . 1 1 6 6 LEU HG H 1 1.630 0.030 . 1 . . . . . . . . 6133 1 76 . 1 1 7 7 GLN H H 1 8.250 0.030 . 1 . . . . . . . . 6133 1 77 . 1 1 7 7 GLN N N 15 120.530 0.130 . 1 . . . . . . . . 6133 1 78 . 1 1 7 7 GLN CA C 13 55.760 0.130 . 1 . . . . . . . . 6133 1 79 . 1 1 7 7 GLN HA H 1 4.310 0.030 . 1 . . . . . . . . 6133 1 80 . 1 1 7 7 GLN C C 13 175.800 0.130 . 1 . . . . . . . . 6133 1 81 . 1 1 7 7 GLN CB C 13 29.230 0.130 . 1 . . . . . . . . 6133 1 82 . 1 1 7 7 GLN HB2 H 1 2.090 0.030 . 1 . . . . . . . . 6133 1 83 . 1 1 7 7 GLN HB3 H 1 1.950 0.030 . 1 . . . . . . . . 6133 1 84 . 1 1 7 7 GLN CG C 13 33.730 0.130 . 1 . . . . . . . . 6133 1 85 . 1 1 7 7 GLN HG2 H 1 2.370 0.030 . 2 . . . . . . . . 6133 1 86 . 1 1 7 7 GLN NE2 N 15 112.430 0.130 . 1 . . . . . . . . 6133 1 87 . 1 1 7 7 GLN HE21 H 1 7.540 0.030 . 1 . . . . . . . . 6133 1 88 . 1 1 7 7 GLN HE22 H 1 6.870 0.030 . 1 . . . . . . . . 6133 1 89 . 1 1 8 8 LEU H H 1 8.140 0.030 . 1 . . . . . . . . 6133 1 90 . 1 1 8 8 LEU N N 15 122.940 0.130 . 1 . . . . . . . . 6133 1 91 . 1 1 8 8 LEU CA C 13 55.390 0.130 . 1 . . . . . . . . 6133 1 92 . 1 1 8 8 LEU HA H 1 4.340 0.030 . 1 . . . . . . . . 6133 1 93 . 1 1 8 8 LEU C C 13 177.340 0.130 . 1 . . . . . . . . 6133 1 94 . 1 1 8 8 LEU CB C 13 42.170 0.130 . 1 . . . . . . . . 6133 1 95 . 1 1 8 8 LEU HB2 H 1 1.670 0.030 . 1 . . . . . . . . 6133 1 96 . 1 1 8 8 LEU HB3 H 1 1.590 0.030 . 1 . . . . . . . . 6133 1 97 . 1 1 8 8 LEU CG C 13 26.880 0.130 . 1 . . . . . . . . 6133 1 98 . 1 1 8 8 LEU CD1 C 13 24.692 0.130 . 1 . . . . . . . . 6133 1 99 . 1 1 8 8 LEU HD11 H 1 0.890 0.030 . 1 . . . . . . . . 6133 1 100 . 1 1 8 8 LEU HD12 H 1 0.890 0.030 . 1 . . . . . . . . 6133 1 101 . 1 1 8 8 LEU HD13 H 1 0.890 0.030 . 1 . . . . . . . . 6133 1 102 . 1 1 8 8 LEU CD2 C 13 23.440 0.130 . 1 . . . . . . . . 6133 1 103 . 1 1 8 8 LEU HD21 H 1 0.900 0.030 . 1 . . . . . . . . 6133 1 104 . 1 1 8 8 LEU HD22 H 1 0.900 0.030 . 1 . . . . . . . . 6133 1 105 . 1 1 8 8 LEU HD23 H 1 0.900 0.030 . 1 . . . . . . . . 6133 1 106 . 1 1 8 8 LEU HG H 1 1.650 0.030 . 1 . . . . . . . . 6133 1 107 . 1 1 9 9 ILE H H 1 8.060 0.030 . 1 . . . . . . . . 6133 1 108 . 1 1 9 9 ILE N N 15 121.120 0.130 . 1 . . . . . . . . 6133 1 109 . 1 1 9 9 ILE CA C 13 61.390 0.130 . 1 . . . . . . . . 6133 1 110 . 1 1 9 9 ILE HA H 1 4.120 0.030 . 1 . . . . . . . . 6133 1 111 . 1 1 9 9 ILE C C 13 176.240 0.130 . 1 . . . . . . . . 6133 1 112 . 1 1 9 9 ILE CB C 13 38.580 0.130 . 1 . . . . . . . . 6133 1 113 . 1 1 9 9 ILE HB H 1 1.860 0.030 . 1 . . . . . . . . 6133 1 114 . 1 1 9 9 ILE CG2 C 13 17.430 0.130 . 1 . . . . . . . . 6133 1 115 . 1 1 9 9 ILE HG21 H 1 0.890 0.030 . 1 . . . . . . . . 6133 1 116 . 1 1 9 9 ILE HG22 H 1 0.890 0.030 . 1 . . . . . . . . 6133 1 117 . 1 1 9 9 ILE HG23 H 1 0.890 0.030 . 1 . . . . . . . . 6133 1 118 . 1 1 9 9 ILE CG1 C 13 27.430 0.130 . 1 . . . . . . . . 6133 1 119 . 1 1 9 9 ILE HG12 H 1 1.500 0.030 . 1 . . . . . . . . 6133 1 120 . 1 1 9 9 ILE HG13 H 1 1.180 0.030 . 1 . . . . . . . . 6133 1 121 . 1 1 9 9 ILE CD1 C 13 12.980 0.130 . 1 . . . . . . . . 6133 1 122 . 1 1 9 9 ILE HD11 H 1 0.860 0.030 . 1 . . . . . . . . 6133 1 123 . 1 1 9 9 ILE HD12 H 1 0.860 0.030 . 1 . . . . . . . . 6133 1 124 . 1 1 9 9 ILE HD13 H 1 0.860 0.030 . 1 . . . . . . . . 6133 1 125 . 1 1 10 10 GLU H H 1 8.370 0.030 . 1 . . . . . . . . 6133 1 126 . 1 1 10 10 GLU N N 15 124.040 0.130 . 1 . . . . . . . . 6133 1 127 . 1 1 10 10 GLU CA C 13 56.860 0.130 . 1 . . . . . . . . 6133 1 128 . 1 1 10 10 GLU HA H 1 4.250 0.030 . 1 . . . . . . . . 6133 1 129 . 1 1 10 10 GLU C C 13 176.680 0.130 . 1 . . . . . . . . 6133 1 130 . 1 1 10 10 GLU CB C 13 30.160 0.130 . 1 . . . . . . . . 6133 1 131 . 1 1 10 10 GLU HB2 H 1 2.050 0.030 . 2 . . . . . . . . 6133 1 132 . 1 1 10 10 GLU CG C 13 36.230 0.130 . 1 . . . . . . . . 6133 1 133 . 1 1 10 10 GLU HG2 H 1 2.280 0.030 . 2 . . . . . . . . 6133 1 134 . 1 1 11 11 VAL H H 1 8.100 0.030 . 1 . . . . . . . . 6133 1 135 . 1 1 11 11 VAL N N 15 121.260 0.130 . 1 . . . . . . . . 6133 1 136 . 1 1 11 11 VAL CA C 13 62.950 0.130 . 1 . . . . . . . . 6133 1 137 . 1 1 11 11 VAL HA H 1 4.000 0.030 . 1 . . . . . . . . 6133 1 138 . 1 1 11 11 VAL C C 13 176.130 0.130 . 1 . . . . . . . . 6133 1 139 . 1 1 11 11 VAL CB C 13 32.440 0.130 . 1 . . . . . . . . 6133 1 140 . 1 1 11 11 VAL HB H 1 2.070 0.030 . 1 . . . . . . . . 6133 1 141 . 1 1 11 11 VAL CG1 C 13 21.100 0.130 . 1 . . . . . . . . 6133 1 142 . 1 1 11 11 VAL HG11 H 1 0.930 0.030 . 1 . . . . . . . . 6133 1 143 . 1 1 11 11 VAL HG12 H 1 0.930 0.030 . 1 . . . . . . . . 6133 1 144 . 1 1 11 11 VAL HG13 H 1 0.930 0.030 . 1 . . . . . . . . 6133 1 145 . 1 1 11 11 VAL CG2 C 13 20.870 0.130 . 1 . . . . . . . . 6133 1 146 . 1 1 11 11 VAL HG21 H 1 0.970 0.030 . 1 . . . . . . . . 6133 1 147 . 1 1 11 11 VAL HG22 H 1 0.970 0.030 . 1 . . . . . . . . 6133 1 148 . 1 1 11 11 VAL HG23 H 1 0.970 0.030 . 1 . . . . . . . . 6133 1 149 . 1 1 12 12 GLN H H 1 8.390 0.030 . 1 . . . . . . . . 6133 1 150 . 1 1 12 12 GLN N N 15 123.740 0.130 . 1 . . . . . . . . 6133 1 151 . 1 1 12 12 GLN CA C 13 55.760 0.130 . 1 . . . . . . . . 6133 1 152 . 1 1 12 12 GLN HA H 1 4.310 0.030 . 1 . . . . . . . . 6133 1 153 . 1 1 12 12 GLN C C 13 176.130 0.130 . 1 . . . . . . . . 6133 1 154 . 1 1 12 12 GLN CB C 13 29.230 0.130 . 1 . . . . . . . . 6133 1 155 . 1 1 12 12 GLN HB2 H 1 2.090 0.030 . 1 . . . . . . . . 6133 1 156 . 1 1 12 12 GLN HB3 H 1 1.960 0.030 . 1 . . . . . . . . 6133 1 157 . 1 1 12 12 GLN CG C 13 33.730 0.130 . 1 . . . . . . . . 6133 1 158 . 1 1 12 12 GLN HG2 H 1 2.370 0.030 . 2 . . . . . . . . 6133 1 159 . 1 1 12 12 GLN NE2 N 15 112.500 0.130 . 1 . . . . . . . . 6133 1 160 . 1 1 12 12 GLN HE21 H 1 7.550 0.030 . 1 . . . . . . . . 6133 1 161 . 1 1 12 12 GLN HE22 H 1 6.840 0.030 . 1 . . . . . . . . 6133 1 162 . 1 1 13 13 LEU H H 1 8.330 0.030 . 1 . . . . . . . . 6133 1 163 . 1 1 13 13 LEU N N 15 123.670 0.130 . 1 . . . . . . . . 6133 1 164 . 1 1 13 13 LEU CA C 13 55.300 0.130 . 1 . . . . . . . . 6133 1 165 . 1 1 13 13 LEU HA H 1 4.270 0.030 . 1 . . . . . . . . 6133 1 166 . 1 1 13 13 LEU C C 13 177.120 0.130 . 1 . . . . . . . . 6133 1 167 . 1 1 13 13 LEU CB C 13 42.480 0.130 . 1 . . . . . . . . 6133 1 168 . 1 1 13 13 LEU HB2 H 1 1.570 0.030 . 1 . . . . . . . . 6133 1 169 . 1 1 13 13 LEU HB3 H 1 1.560 0.030 . 1 . . . . . . . . 6133 1 170 . 1 1 13 13 LEU CG C 13 26.880 0.130 . 1 . . . . . . . . 6133 1 171 . 1 1 13 13 LEU CD1 C 13 24.850 0.130 . 1 . . . . . . . . 6133 1 172 . 1 1 13 13 LEU HD11 H 1 0.900 0.030 . 1 . . . . . . . . 6133 1 173 . 1 1 13 13 LEU HD12 H 1 0.900 0.030 . 1 . . . . . . . . 6133 1 174 . 1 1 13 13 LEU HD13 H 1 0.900 0.030 . 1 . . . . . . . . 6133 1 175 . 1 1 13 13 LEU CD2 C 13 23.290 0.130 . 1 . . . . . . . . 6133 1 176 . 1 1 13 13 LEU HD21 H 1 0.860 0.030 . 1 . . . . . . . . 6133 1 177 . 1 1 13 13 LEU HD22 H 1 0.860 0.030 . 1 . . . . . . . . 6133 1 178 . 1 1 13 13 LEU HD23 H 1 0.860 0.030 . 1 . . . . . . . . 6133 1 179 . 1 1 13 13 LEU HG H 1 1.630 0.030 . 1 . . . . . . . . 6133 1 180 . 1 1 14 14 ALA H H 1 8.260 0.030 . 1 . . . . . . . . 6133 1 181 . 1 1 14 14 ALA N N 15 124.550 0.130 . 1 . . . . . . . . 6133 1 182 . 1 1 14 14 ALA CA C 13 52.330 0.130 . 1 . . . . . . . . 6133 1 183 . 1 1 14 14 ALA HA H 1 4.310 0.030 . 1 . . . . . . . . 6133 1 184 . 1 1 14 14 ALA C C 13 177.670 0.130 . 1 . . . . . . . . 6133 1 185 . 1 1 14 14 ALA CB C 13 19.070 0.130 . 1 . . . . . . . . 6133 1 186 . 1 1 14 14 ALA HB1 H 1 1.410 0.030 . 1 . . . . . . . . 6133 1 187 . 1 1 14 14 ALA HB2 H 1 1.410 0.030 . 1 . . . . . . . . 6133 1 188 . 1 1 14 14 ALA HB3 H 1 1.410 0.030 . 1 . . . . . . . . 6133 1 189 . 1 1 15 15 GLN H H 1 8.290 0.030 . 1 . . . . . . . . 6133 1 190 . 1 1 15 15 GLN N N 15 119.510 0.130 . 1 . . . . . . . . 6133 1 191 . 1 1 15 15 GLN CA C 13 55.610 0.130 . 1 . . . . . . . . 6133 1 192 . 1 1 15 15 GLN HA H 1 4.290 0.030 . 1 . . . . . . . . 6133 1 193 . 1 1 15 15 GLN C C 13 175.910 0.130 . 1 . . . . . . . . 6133 1 194 . 1 1 15 15 GLN CB C 13 29.620 0.130 . 1 . . . . . . . . 6133 1 195 . 1 1 15 15 GLN HB2 H 1 2.000 0.030 . 2 . . . . . . . . 6133 1 196 . 1 1 15 15 GLN CG C 13 33.730 0.130 . 1 . . . . . . . . 6133 1 197 . 1 1 15 15 GLN HG2 H 1 2.370 0.030 . 2 . . . . . . . . 6133 1 198 . 1 1 15 15 GLN NE2 N 15 112.680 0.130 . 1 . . . . . . . . 6133 1 199 . 1 1 15 15 GLN HE21 H 1 7.590 0.030 . 1 . . . . . . . . 6133 1 200 . 1 1 15 15 GLN HE22 H 1 6.880 0.030 . 1 . . . . . . . . 6133 1 201 . 1 1 16 16 GLU H H 1 8.440 0.030 . 1 . . . . . . . . 6133 1 202 . 1 1 16 16 GLU N N 15 121.990 0.130 . 1 . . . . . . . . 6133 1 203 . 1 1 16 16 GLU CA C 13 56.550 0.130 . 1 . . . . . . . . 6133 1 204 . 1 1 16 16 GLU HA H 1 4.270 0.030 . 1 . . . . . . . . 6133 1 205 . 1 1 16 16 GLU C C 13 176.240 0.130 . 1 . . . . . . . . 6133 1 206 . 1 1 16 16 GLU CB C 13 30.400 0.130 . 1 . . . . . . . . 6133 1 207 . 1 1 16 16 GLU HB2 H 1 2.050 0.030 . 1 . . . . . . . . 6133 1 208 . 1 1 16 16 GLU HB3 H 1 1.950 0.030 . 1 . . . . . . . . 6133 1 209 . 1 1 16 16 GLU CG C 13 36.230 0.130 . 1 . . . . . . . . 6133 1 210 . 1 1 16 16 GLU HG2 H 1 2.280 0.030 . 2 . . . . . . . . 6133 1 211 . 1 1 17 17 GLU H H 1 8.440 0.030 . 1 . . . . . . . . 6133 1 212 . 1 1 17 17 GLU N N 15 122.140 0.130 . 1 . . . . . . . . 6133 1 213 . 1 1 17 17 GLU CA C 13 56.300 0.130 . 1 . . . . . . . . 6133 1 214 . 1 1 17 17 GLU HA H 1 4.300 0.030 . 1 . . . . . . . . 6133 1 215 . 1 1 17 17 GLU C C 13 176.240 0.130 . 1 . . . . . . . . 6133 1 216 . 1 1 17 17 GLU CB C 13 30.160 0.130 . 1 . . . . . . . . 6133 1 217 . 1 1 17 17 GLU HB2 H 1 1.970 0.030 . 1 . . . . . . . . 6133 1 218 . 1 1 17 17 GLU HB3 H 1 1.900 0.030 . 1 . . . . . . . . 6133 1 219 . 1 1 17 17 GLU CG C 13 36.230 0.130 . 1 . . . . . . . . 6133 1 220 . 1 1 17 17 GLU HG2 H 1 2.280 0.030 . 2 . . . . . . . . 6133 1 221 . 1 1 18 18 VAL H H 1 8.310 0.030 . 1 . . . . . . . . 6133 1 222 . 1 1 18 18 VAL N N 15 122.290 0.130 . 1 . . . . . . . . 6133 1 223 . 1 1 18 18 VAL CA C 13 62.170 0.130 . 1 . . . . . . . . 6133 1 224 . 1 1 18 18 VAL HA H 1 4.190 0.030 . 1 . . . . . . . . 6133 1 225 . 1 1 18 18 VAL C C 13 176.240 0.130 . 1 . . . . . . . . 6133 1 226 . 1 1 18 18 VAL CB C 13 32.600 0.130 . 1 . . . . . . . . 6133 1 227 . 1 1 18 18 VAL HB H 1 2.080 0.030 . 1 . . . . . . . . 6133 1 228 . 1 1 18 18 VAL CG1 C 13 21.180 0.130 . 1 . . . . . . . . 6133 1 229 . 1 1 18 18 VAL HG11 H 1 0.940 0.030 . 1 . . . . . . . . 6133 1 230 . 1 1 18 18 VAL HG12 H 1 0.940 0.030 . 1 . . . . . . . . 6133 1 231 . 1 1 18 18 VAL HG13 H 1 0.940 0.030 . 1 . . . . . . . . 6133 1 232 . 1 1 18 18 VAL CG2 C 13 20.550 0.130 . 1 . . . . . . . . 6133 1 233 . 1 1 18 18 VAL HG21 H 1 0.960 0.030 . 1 . . . . . . . . 6133 1 234 . 1 1 18 18 VAL HG22 H 1 0.960 0.030 . 1 . . . . . . . . 6133 1 235 . 1 1 18 18 VAL HG23 H 1 0.960 0.030 . 1 . . . . . . . . 6133 1 236 . 1 1 19 19 THR H H 1 8.340 0.030 . 1 . . . . . . . . 6133 1 237 . 1 1 19 19 THR N N 15 119.000 0.130 . 1 . . . . . . . . 6133 1 238 . 1 1 19 19 THR CA C 13 61.550 0.130 . 1 . . . . . . . . 6133 1 239 . 1 1 19 19 THR HA H 1 4.380 0.030 . 1 . . . . . . . . 6133 1 240 . 1 1 19 19 THR C C 13 174.160 0.130 . 1 . . . . . . . . 6133 1 241 . 1 1 19 19 THR CB C 13 69.830 0.130 . 1 . . . . . . . . 6133 1 242 . 1 1 19 19 THR HB H 1 4.180 0.030 . 1 . . . . . . . . 6133 1 243 . 1 1 19 19 THR CG2 C 13 21.490 0.130 . 1 . . . . . . . . 6133 1 244 . 1 1 19 19 THR HG21 H 1 1.200 0.030 . 1 . . . . . . . . 6133 1 245 . 1 1 19 19 THR HG22 H 1 1.200 0.030 . 1 . . . . . . . . 6133 1 246 . 1 1 19 19 THR HG23 H 1 1.200 0.030 . 1 . . . . . . . . 6133 1 247 . 1 1 20 20 GLU H H 1 8.460 0.030 . 1 . . . . . . . . 6133 1 248 . 1 1 20 20 GLU N N 15 123.890 0.130 . 1 . . . . . . . . 6133 1 249 . 1 1 20 20 GLU CA C 13 56.230 0.130 . 1 . . . . . . . . 6133 1 250 . 1 1 20 20 GLU HA H 1 4.320 0.030 . 1 . . . . . . . . 6133 1 251 . 1 1 20 20 GLU C C 13 176.020 0.130 . 1 . . . . . . . . 6133 1 252 . 1 1 20 20 GLU CB C 13 30.550 0.130 . 1 . . . . . . . . 6133 1 253 . 1 1 20 20 GLU HB2 H 1 2.050 0.030 . 1 . . . . . . . . 6133 1 254 . 1 1 20 20 GLU HB3 H 1 1.940 0.030 . 1 . . . . . . . . 6133 1 255 . 1 1 20 20 GLU CG C 13 35.920 0.130 . 1 . . . . . . . . 6133 1 256 . 1 1 20 20 GLU HG2 H 1 2.270 0.030 . 1 . . . . . . . . 6133 1 257 . 1 1 20 20 GLU HG3 H 1 2.220 0.030 . 1 . . . . . . . . 6133 1 258 . 1 1 21 21 SER H H 1 8.510 0.030 . 1 . . . . . . . . 6133 1 259 . 1 1 21 21 SER N N 15 118.860 0.130 . 1 . . . . . . . . 6133 1 260 . 1 1 21 21 SER CA C 13 56.230 0.130 . 1 . . . . . . . . 6133 1 261 . 1 1 21 21 SER HA H 1 4.320 0.030 . 1 . . . . . . . . 6133 1 262 . 1 1 21 21 SER C C 13 172.730 0.130 . 1 . . . . . . . . 6133 1 263 . 1 1 21 21 SER CB C 13 63.260 0.130 . 1 . . . . . . . . 6133 1 264 . 1 1 21 21 SER HB2 H 1 3.870 0.030 . 1 . . . . . . . . 6133 1 265 . 1 1 21 21 SER HB3 H 1 3.810 0.030 . 1 . . . . . . . . 6133 1 266 . 1 1 22 22 PRO CA C 13 63.120 0.130 . 1 . . . . . . . . 6133 1 267 . 1 1 22 22 PRO HA H 1 4.480 0.030 . 1 . . . . . . . . 6133 1 268 . 1 1 22 22 PRO C C 13 177.010 0.130 . 1 . . . . . . . . 6133 1 269 . 1 1 22 22 PRO CB C 13 31.970 0.130 . 1 . . . . . . . . 6133 1 270 . 1 1 22 22 PRO HB2 H 1 2.310 0.030 . 1 . . . . . . . . 6133 1 271 . 1 1 22 22 PRO HB3 H 1 1.950 0.030 . 1 . . . . . . . . 6133 1 272 . 1 1 22 22 PRO CG C 13 27.270 0.130 . 1 . . . . . . . . 6133 1 273 . 1 1 22 22 PRO HG2 H 1 2.010 0.030 . 2 . . . . . . . . 6133 1 274 . 1 1 22 22 PRO CD C 13 50.610 0.130 . 1 . . . . . . . . 6133 1 275 . 1 1 22 22 PRO HD2 H 1 3.820 0.030 . 1 . . . . . . . . 6133 1 276 . 1 1 22 22 PRO HD3 H 1 3.730 0.030 . 1 . . . . . . . . 6133 1 277 . 1 1 23 23 LEU H H 1 8.430 0.030 . 1 . . . . . . . . 6133 1 278 . 1 1 23 23 LEU N N 15 122.500 0.130 . 1 . . . . . . . . 6133 1 279 . 1 1 23 23 LEU CA C 13 55.300 0.130 . 1 . . . . . . . . 6133 1 280 . 1 1 23 23 LEU HA H 1 4.340 0.030 . 1 . . . . . . . . 6133 1 281 . 1 1 23 23 LEU C C 13 178.000 0.130 . 1 . . . . . . . . 6133 1 282 . 1 1 23 23 LEU CB C 13 42.170 0.130 . 1 . . . . . . . . 6133 1 283 . 1 1 23 23 LEU HB2 H 1 1.670 0.030 . 2 . . . . . . . . 6133 1 284 . 1 1 23 23 LEU CG C 13 26.960 0.130 . 1 . . . . . . . . 6133 1 285 . 1 1 23 23 LEU CD1 C 13 24.930 0.130 . 1 . . . . . . . . 6133 1 286 . 1 1 23 23 LEU HD11 H 1 0.950 0.030 . 1 . . . . . . . . 6133 1 287 . 1 1 23 23 LEU HD12 H 1 0.950 0.030 . 1 . . . . . . . . 6133 1 288 . 1 1 23 23 LEU HD13 H 1 0.950 0.030 . 1 . . . . . . . . 6133 1 289 . 1 1 23 23 LEU CD2 C 13 23.163 0.130 . 1 . . . . . . . . 6133 1 290 . 1 1 23 23 LEU HD21 H 1 0.910 0.030 . 1 . . . . . . . . 6133 1 291 . 1 1 23 23 LEU HD22 H 1 0.910 0.030 . 1 . . . . . . . . 6133 1 292 . 1 1 23 23 LEU HD23 H 1 0.910 0.030 . 1 . . . . . . . . 6133 1 293 . 1 1 23 23 LEU HG H 1 1.690 0.030 . 1 . . . . . . . . 6133 1 294 . 1 1 24 24 GLY H H 1 8.460 0.030 . 1 . . . . . . . . 6133 1 295 . 1 1 24 24 GLY N N 15 109.660 0.130 . 1 . . . . . . . . 6133 1 296 . 1 1 24 24 GLY CA C 13 45.300 0.130 . 1 . . . . . . . . 6133 1 297 . 1 1 24 24 GLY HA2 H 1 3.990 0.030 . 2 . . . . . . . . 6133 1 298 . 1 1 24 24 GLY C C 13 174.600 0.130 . 1 . . . . . . . . 6133 1 299 . 1 1 25 25 GLY H H 1 8.330 0.030 . 1 . . . . . . . . 6133 1 300 . 1 1 25 25 GLY N N 15 108.710 0.130 . 1 . . . . . . . . 6133 1 301 . 1 1 25 25 GLY CA C 13 45.300 0.130 . 1 . . . . . . . . 6133 1 302 . 1 1 25 25 GLY HA2 H 1 3.990 0.030 . 2 . . . . . . . . 6133 1 303 . 1 1 25 25 GLY C C 13 173.940 0.130 . 1 . . . . . . . . 6133 1 304 . 1 1 26 26 ASP H H 1 8.270 0.030 . 1 . . . . . . . . 6133 1 305 . 1 1 26 26 ASP N N 15 120.460 0.130 . 1 . . . . . . . . 6133 1 306 . 1 1 26 26 ASP CA C 13 54.050 0.130 . 1 . . . . . . . . 6133 1 307 . 1 1 26 26 ASP HA H 1 4.670 0.030 . 1 . . . . . . . . 6133 1 308 . 1 1 26 26 ASP C C 13 176.900 0.130 . 1 . . . . . . . . 6133 1 309 . 1 1 26 26 ASP CB C 13 41.080 0.130 . 1 . . . . . . . . 6133 1 310 . 1 1 26 26 ASP HB2 H 1 2.830 0.030 . 1 . . . . . . . . 6133 1 311 . 1 1 26 26 ASP HB3 H 1 2.770 0.030 . 1 . . . . . . . . 6133 1 312 . 1 1 27 27 GLU H H 1 8.850 0.030 . 1 . . . . . . . . 6133 1 313 . 1 1 27 27 GLU N N 15 122.500 0.130 . 1 . . . . . . . . 6133 1 314 . 1 1 27 27 GLU CA C 13 59.630 0.130 . 1 . . . . . . . . 6133 1 315 . 1 1 27 27 GLU HA H 1 4.030 0.030 . 1 . . . . . . . . 6133 1 316 . 1 1 27 27 GLU C C 13 178.110 0.130 . 1 . . . . . . . . 6133 1 317 . 1 1 27 27 GLU CB C 13 30.160 0.130 . 1 . . . . . . . . 6133 1 318 . 1 1 27 27 GLU HB2 H 1 2.050 0.030 . 1 . . . . . . . . 6133 1 319 . 1 1 27 27 GLU HB3 H 1 1.980 0.030 . 1 . . . . . . . . 6133 1 320 . 1 1 27 27 GLU CG C 13 37.640 0.130 . 1 . . . . . . . . 6133 1 321 . 1 1 27 27 GLU HG2 H 1 2.440 0.030 . 1 . . . . . . . . 6133 1 322 . 1 1 27 27 GLU HG3 H 1 2.280 0.030 . 1 . . . . . . . . 6133 1 323 . 1 1 28 28 ASN H H 1 8.440 0.030 . 1 . . . . . . . . 6133 1 324 . 1 1 28 28 ASN N N 15 119.220 0.130 . 1 . . . . . . . . 6133 1 325 . 1 1 28 28 ASN CA C 13 56.700 0.130 . 1 . . . . . . . . 6133 1 326 . 1 1 28 28 ASN HA H 1 4.360 0.030 . 1 . . . . . . . . 6133 1 327 . 1 1 28 28 ASN C C 13 176.900 0.130 . 1 . . . . . . . . 6133 1 328 . 1 1 28 28 ASN CB C 13 39.050 0.130 . 1 . . . . . . . . 6133 1 329 . 1 1 28 28 ASN HB2 H 1 2.950 0.030 . 1 . . . . . . . . 6133 1 330 . 1 1 28 28 ASN HB3 H 1 2.870 0.030 . 1 . . . . . . . . 6133 1 331 . 1 1 28 28 ASN ND2 N 15 114.460 0.130 . 1 . . . . . . . . 6133 1 332 . 1 1 28 28 ASN HD21 H 1 8.020 0.030 . 1 . . . . . . . . 6133 1 333 . 1 1 28 28 ASN HD22 H 1 6.960 0.030 . 1 . . . . . . . . 6133 1 334 . 1 1 29 29 ALA H H 1 8.210 0.030 . 1 . . . . . . . . 6133 1 335 . 1 1 29 29 ALA N N 15 123.230 0.130 . 1 . . . . . . . . 6133 1 336 . 1 1 29 29 ALA CA C 13 54.980 0.130 . 1 . . . . . . . . 6133 1 337 . 1 1 29 29 ALA HA H 1 4.140 0.030 . 1 . . . . . . . . 6133 1 338 . 1 1 29 29 ALA C C 13 180.740 0.130 . 1 . . . . . . . . 6133 1 339 . 1 1 29 29 ALA CB C 13 18.130 0.130 . 1 . . . . . . . . 6133 1 340 . 1 1 29 29 ALA HB1 H 1 1.540 0.030 . 1 . . . . . . . . 6133 1 341 . 1 1 29 29 ALA HB2 H 1 1.540 0.030 . 1 . . . . . . . . 6133 1 342 . 1 1 29 29 ALA HB3 H 1 1.540 0.030 . 1 . . . . . . . . 6133 1 343 . 1 1 30 30 GLN H H 1 8.310 0.030 . 1 . . . . . . . . 6133 1 344 . 1 1 30 30 GLN N N 15 118.860 0.130 . 1 . . . . . . . . 6133 1 345 . 1 1 30 30 GLN CA C 13 58.420 0.130 . 1 . . . . . . . . 6133 1 346 . 1 1 30 30 GLN HA H 1 4.170 0.030 . 1 . . . . . . . . 6133 1 347 . 1 1 30 30 GLN C C 13 178.770 0.130 . 1 . . . . . . . . 6133 1 348 . 1 1 30 30 GLN CB C 13 28.380 0.130 . 1 . . . . . . . . 6133 1 349 . 1 1 30 30 GLN HB2 H 1 2.210 0.030 . 2 . . . . . . . . 6133 1 350 . 1 1 30 30 GLN CG C 13 36.230 0.130 . 1 . . . . . . . . 6133 1 351 . 1 1 30 30 GLN HG2 H 1 2.460 0.030 . 2 . . . . . . . . 6133 1 352 . 1 1 30 30 GLN NE2 N 15 112.300 0.130 . 1 . . . . . . . . 6133 1 353 . 1 1 30 30 GLN HE21 H 1 7.490 0.030 . 1 . . . . . . . . 6133 1 354 . 1 1 30 30 GLN HE22 H 1 6.874 0.030 . 1 . . . . . . . . 6133 1 355 . 1 1 31 31 LEU H H 1 8.410 0.030 . 1 . . . . . . . . 6133 1 356 . 1 1 31 31 LEU N N 15 122.070 0.130 . 1 . . . . . . . . 6133 1 357 . 1 1 31 31 LEU CA C 13 57.950 0.130 . 1 . . . . . . . . 6133 1 358 . 1 1 31 31 LEU HA H 1 4.240 0.030 . 1 . . . . . . . . 6133 1 359 . 1 1 31 31 LEU C C 13 180.080 0.130 . 1 . . . . . . . . 6133 1 360 . 1 1 31 31 LEU CB C 13 41.880 0.130 . 1 . . . . . . . . 6133 1 361 . 1 1 31 31 LEU HB2 H 1 1.830 0.030 . 1 . . . . . . . . 6133 1 362 . 1 1 31 31 LEU HB3 H 1 1.670 0.030 . 1 . . . . . . . . 6133 1 363 . 1 1 31 31 LEU CG C 13 27.190 0.130 . 1 . . . . . . . . 6133 1 364 . 1 1 31 31 LEU CD1 C 13 25.240 0.130 . 1 . . . . . . . . 6133 1 365 . 1 1 31 31 LEU HD11 H 1 0.580 0.030 . 1 . . . . . . . . 6133 1 366 . 1 1 31 31 LEU HD12 H 1 0.580 0.030 . 1 . . . . . . . . 6133 1 367 . 1 1 31 31 LEU HD13 H 1 0.580 0.030 . 1 . . . . . . . . 6133 1 368 . 1 1 31 31 LEU CD2 C 13 24.220 0.130 . 1 . . . . . . . . 6133 1 369 . 1 1 31 31 LEU HD21 H 1 0.670 0.030 . 1 . . . . . . . . 6133 1 370 . 1 1 31 31 LEU HD22 H 1 0.670 0.030 . 1 . . . . . . . . 6133 1 371 . 1 1 31 31 LEU HD23 H 1 0.670 0.030 . 1 . . . . . . . . 6133 1 372 . 1 1 31 31 LEU HG H 1 1.580 0.030 . 1 . . . . . . . . 6133 1 373 . 1 1 32 32 HIS H H 1 8.130 0.030 . 1 . . . . . . . . 6133 1 374 . 1 1 32 32 HIS N N 15 116.890 0.130 . 1 . . . . . . . . 6133 1 375 . 1 1 32 32 HIS CA C 13 59.830 0.130 . 1 . . . . . . . . 6133 1 376 . 1 1 32 32 HIS HA H 1 4.190 0.030 . 1 . . . . . . . . 6133 1 377 . 1 1 32 32 HIS C C 13 177.670 0.130 . 1 . . . . . . . . 6133 1 378 . 1 1 32 32 HIS CB C 13 29.160 0.130 . 1 . . . . . . . . 6133 1 379 . 1 1 32 32 HIS HB2 H 1 3.100 0.030 . 2 . . . . . . . . 6133 1 380 . 1 1 32 32 HIS CD2 C 13 119.200 0.130 . 1 . . . . . . . . 6133 1 381 . 1 1 32 32 HIS HD2 H 1 6.950 0.030 . 1 . . . . . . . . 6133 1 382 . 1 1 32 32 HIS CE1 C 13 138.110 0.130 . 1 . . . . . . . . 6133 1 383 . 1 1 32 32 HIS HE1 H 1 7.830 0.030 . 1 . . . . . . . . 6133 1 384 . 1 1 33 33 ALA H H 1 8.330 0.030 . 1 . . . . . . . . 6133 1 385 . 1 1 33 33 ALA N N 15 122.290 0.130 . 1 . . . . . . . . 6133 1 386 . 1 1 33 33 ALA CA C 13 53.890 0.130 . 1 . . . . . . . . 6133 1 387 . 1 1 33 33 ALA HA H 1 4.330 0.030 . 1 . . . . . . . . 6133 1 388 . 1 1 33 33 ALA C C 13 178.870 0.130 . 1 . . . . . . . . 6133 1 389 . 1 1 33 33 ALA CB C 13 18.680 0.130 . 1 . . . . . . . . 6133 1 390 . 1 1 33 33 ALA HB1 H 1 1.540 0.030 . 1 . . . . . . . . 6133 1 391 . 1 1 33 33 ALA HB2 H 1 1.540 0.030 . 1 . . . . . . . . 6133 1 392 . 1 1 33 33 ALA HB3 H 1 1.540 0.030 . 1 . . . . . . . . 6133 1 393 . 1 1 34 34 SER H H 1 8.050 0.030 . 1 . . . . . . . . 6133 1 394 . 1 1 34 34 SER N N 15 112.290 0.130 . 1 . . . . . . . . 6133 1 395 . 1 1 34 34 SER CA C 13 59.830 0.130 . 1 . . . . . . . . 6133 1 396 . 1 1 34 34 SER HA H 1 4.320 0.030 . 1 . . . . . . . . 6133 1 397 . 1 1 34 34 SER C C 13 175.360 0.130 . 1 . . . . . . . . 6133 1 398 . 1 1 34 34 SER CB C 13 64.510 0.130 . 1 . . . . . . . . 6133 1 399 . 1 1 34 34 SER HB2 H 1 4.180 0.030 . 1 . . . . . . . . 6133 1 400 . 1 1 34 34 SER HB3 H 1 4.090 0.030 . 1 . . . . . . . . 6133 1 401 . 1 1 35 35 GLY H H 1 7.990 0.030 . 1 . . . . . . . . 6133 1 402 . 1 1 35 35 GLY N N 15 109.590 0.130 . 1 . . . . . . . . 6133 1 403 . 1 1 35 35 GLY CA C 13 45.610 0.130 . 1 . . . . . . . . 6133 1 404 . 1 1 35 35 GLY HA2 H 1 4.160 0.030 . 1 . . . . . . . . 6133 1 405 . 1 1 35 35 GLY HA3 H 1 3.970 0.030 . 1 . . . . . . . . 6133 1 406 . 1 1 35 35 GLY C C 13 175.260 0.130 . 1 . . . . . . . . 6133 1 407 . 1 1 36 36 TYR H H 1 8.260 0.030 . 1 . . . . . . . . 6133 1 408 . 1 1 36 36 TYR N N 15 118.350 0.130 . 1 . . . . . . . . 6133 1 409 . 1 1 36 36 TYR CA C 13 57.800 0.130 . 1 . . . . . . . . 6133 1 410 . 1 1 36 36 TYR HA H 1 4.930 0.030 . 1 . . . . . . . . 6133 1 411 . 1 1 36 36 TYR C C 13 175.580 0.130 . 1 . . . . . . . . 6133 1 412 . 1 1 36 36 TYR CB C 13 39.510 0.130 . 1 . . . . . . . . 6133 1 413 . 1 1 36 36 TYR HB2 H 1 3.450 0.030 . 1 . . . . . . . . 6133 1 414 . 1 1 36 36 TYR HB3 H 1 2.810 0.030 . 1 . . . . . . . . 6133 1 415 . 1 1 36 36 TYR CD1 C 13 132.380 0.130 . 1 . . . . . . . . 6133 1 416 . 1 1 36 36 TYR HD1 H 1 7.090 0.030 . 2 . . . . . . . . 6133 1 417 . 1 1 36 36 TYR CD2 C 13 132.380 0.130 . 1 . . . . . . . . 6133 1 418 . 1 1 36 36 TYR CE1 C 13 118.020 0.130 . 1 . . . . . . . . 6133 1 419 . 1 1 36 36 TYR HE1 H 1 6.850 0.030 . 2 . . . . . . . . 6133 1 420 . 1 1 36 36 TYR CE2 C 13 118.020 0.130 . 1 . . . . . . . . 6133 1 421 . 1 1 37 37 TYR H H 1 8.150 0.030 . 1 . . . . . . . . 6133 1 422 . 1 1 37 37 TYR N N 15 122.210 0.130 . 1 . . . . . . . . 6133 1 423 . 1 1 37 37 TYR CA C 13 63.260 0.130 . 1 . . . . . . . . 6133 1 424 . 1 1 37 37 TYR HA H 1 3.850 0.030 . 1 . . . . . . . . 6133 1 425 . 1 1 37 37 TYR C C 13 175.800 0.130 . 1 . . . . . . . . 6133 1 426 . 1 1 37 37 TYR CB C 13 38.260 0.130 . 1 . . . . . . . . 6133 1 427 . 1 1 37 37 TYR HB2 H 1 2.900 0.030 . 1 . . . . . . . . 6133 1 428 . 1 1 37 37 TYR HB3 H 1 2.680 0.030 . 1 . . . . . . . . 6133 1 429 . 1 1 37 37 TYR CD1 C 13 132.290 0.130 . 1 . . . . . . . . 6133 1 430 . 1 1 37 37 TYR HD1 H 1 6.750 0.030 . 2 . . . . . . . . 6133 1 431 . 1 1 37 37 TYR CD2 C 13 132.290 0.130 . 1 . . . . . . . . 6133 1 432 . 1 1 37 37 TYR CE1 C 13 118.470 0.130 . 1 . . . . . . . . 6133 1 433 . 1 1 37 37 TYR HE1 H 1 6.820 0.030 . 2 . . . . . . . . 6133 1 434 . 1 1 37 37 TYR CE2 C 13 118.470 0.130 . 1 . . . . . . . . 6133 1 435 . 1 1 38 38 ALA H H 1 8.430 0.030 . 1 . . . . . . . . 6133 1 436 . 1 1 38 38 ALA N N 15 119.370 0.130 . 1 . . . . . . . . 6133 1 437 . 1 1 38 38 ALA CA C 13 55.300 0.130 . 1 . . . . . . . . 6133 1 438 . 1 1 38 38 ALA HA H 1 3.980 0.030 . 1 . . . . . . . . 6133 1 439 . 1 1 38 38 ALA C C 13 179.200 0.130 . 1 . . . . . . . . 6133 1 440 . 1 1 38 38 ALA CB C 13 17.660 0.130 . 1 . . . . . . . . 6133 1 441 . 1 1 38 38 ALA HB1 H 1 1.480 0.030 . 1 . . . . . . . . 6133 1 442 . 1 1 38 38 ALA HB2 H 1 1.480 0.030 . 1 . . . . . . . . 6133 1 443 . 1 1 38 38 ALA HB3 H 1 1.480 0.030 . 1 . . . . . . . . 6133 1 444 . 1 1 39 39 LEU H H 1 7.580 0.030 . 1 . . . . . . . . 6133 1 445 . 1 1 39 39 LEU N N 15 118.710 0.130 . 1 . . . . . . . . 6133 1 446 . 1 1 39 39 LEU CA C 13 57.950 0.130 . 1 . . . . . . . . 6133 1 447 . 1 1 39 39 LEU HA H 1 4.140 0.030 . 1 . . . . . . . . 6133 1 448 . 1 1 39 39 LEU C C 13 179.420 0.130 . 1 . . . . . . . . 6133 1 449 . 1 1 39 39 LEU CB C 13 42.010 0.130 . 1 . . . . . . . . 6133 1 450 . 1 1 39 39 LEU HB2 H 1 1.820 0.030 . 2 . . . . . . . . 6133 1 451 . 1 1 39 39 LEU CG C 13 27.270 0.130 . 1 . . . . . . . . 6133 1 452 . 1 1 39 39 LEU CD1 C 13 25.240 0.130 . 1 . . . . . . . . 6133 1 453 . 1 1 39 39 LEU HD11 H 1 0.890 0.030 . 1 . . . . . . . . 6133 1 454 . 1 1 39 39 LEU HD12 H 1 0.890 0.030 . 1 . . . . . . . . 6133 1 455 . 1 1 39 39 LEU HD13 H 1 0.890 0.030 . 1 . . . . . . . . 6133 1 456 . 1 1 39 39 LEU CD2 C 13 24.770 0.130 . 1 . . . . . . . . 6133 1 457 . 1 1 39 39 LEU HD21 H 1 0.970 0.030 . 1 . . . . . . . . 6133 1 458 . 1 1 39 39 LEU HD22 H 1 0.970 0.030 . 1 . . . . . . . . 6133 1 459 . 1 1 39 39 LEU HD23 H 1 0.970 0.030 . 1 . . . . . . . . 6133 1 460 . 1 1 39 39 LEU HG H 1 1.590 0.030 . 1 . . . . . . . . 6133 1 461 . 1 1 40 40 PHE H H 1 8.320 0.030 . 1 . . . . . . . . 6133 1 462 . 1 1 40 40 PHE N N 15 121.110 0.130 . 1 . . . . . . . . 6133 1 463 . 1 1 40 40 PHE CA C 13 61.700 0.130 . 1 . . . . . . . . 6133 1 464 . 1 1 40 40 PHE HA H 1 3.820 0.030 . 1 . . . . . . . . 6133 1 465 . 1 1 40 40 PHE C C 13 176.900 0.130 . 1 . . . . . . . . 6133 1 466 . 1 1 40 40 PHE CB C 13 39.200 0.130 . 1 . . . . . . . . 6133 1 467 . 1 1 40 40 PHE HB2 H 1 3.420 0.030 . 1 . . . . . . . . 6133 1 468 . 1 1 40 40 PHE HB3 H 1 2.930 0.030 . 1 . . . . . . . . 6133 1 469 . 1 1 40 40 PHE CD1 C 13 131.840 0.130 . 1 . . . . . . . . 6133 1 470 . 1 1 40 40 PHE HD1 H 1 6.820 0.030 . 2 . . . . . . . . 6133 1 471 . 1 1 40 40 PHE CD2 C 13 131.840 0.130 . 1 . . . . . . . . 6133 1 472 . 1 1 40 40 PHE CE1 C 13 130.200 0.130 . 1 . . . . . . . . 6133 1 473 . 1 1 40 40 PHE HE1 H 1 7.080 0.030 . 2 . . . . . . . . 6133 1 474 . 1 1 40 40 PHE CE2 C 13 130.200 0.130 . 1 . . . . . . . . 6133 1 475 . 1 1 40 40 PHE CZ C 13 129.840 0.130 . 1 . . . . . . . . 6133 1 476 . 1 1 40 40 PHE HZ H 1 7.290 0.030 . 1 . . . . . . . . 6133 1 477 . 1 1 41 41 VAL H H 1 8.360 0.030 . 1 . . . . . . . . 6133 1 478 . 1 1 41 41 VAL N N 15 118.490 0.130 . 1 . . . . . . . . 6133 1 479 . 1 1 41 41 VAL CA C 13 66.080 0.130 . 1 . . . . . . . . 6133 1 480 . 1 1 41 41 VAL HA H 1 3.120 0.030 . 1 . . . . . . . . 6133 1 481 . 1 1 41 41 VAL C C 13 177.340 0.130 . 1 . . . . . . . . 6133 1 482 . 1 1 41 41 VAL CB C 13 31.510 0.130 . 1 . . . . . . . . 6133 1 483 . 1 1 41 41 VAL HB H 1 1.910 0.030 . 1 . . . . . . . . 6133 1 484 . 1 1 41 41 VAL CG1 C 13 22.350 0.130 . 1 . . . . . . . . 6133 1 485 . 1 1 41 41 VAL HG11 H 1 0.740 0.030 . 1 . . . . . . . . 6133 1 486 . 1 1 41 41 VAL HG12 H 1 0.740 0.030 . 1 . . . . . . . . 6133 1 487 . 1 1 41 41 VAL HG13 H 1 0.740 0.030 . 1 . . . . . . . . 6133 1 488 . 1 1 41 41 VAL CG2 C 13 21.650 0.130 . 1 . . . . . . . . 6133 1 489 . 1 1 41 41 VAL HG21 H 1 0.840 0.030 . 1 . . . . . . . . 6133 1 490 . 1 1 41 41 VAL HG22 H 1 0.840 0.030 . 1 . . . . . . . . 6133 1 491 . 1 1 41 41 VAL HG23 H 1 0.840 0.030 . 1 . . . . . . . . 6133 1 492 . 1 1 42 42 ASP H H 1 8.010 0.030 . 1 . . . . . . . . 6133 1 493 . 1 1 42 42 ASP N N 15 118.130 0.130 . 1 . . . . . . . . 6133 1 494 . 1 1 42 42 ASP CA C 13 56.080 0.130 . 1 . . . . . . . . 6133 1 495 . 1 1 42 42 ASP HA H 1 4.520 0.030 . 1 . . . . . . . . 6133 1 496 . 1 1 42 42 ASP C C 13 177.340 0.130 . 1 . . . . . . . . 6133 1 497 . 1 1 42 42 ASP CB C 13 41.550 0.130 . 1 . . . . . . . . 6133 1 498 . 1 1 42 42 ASP HB2 H 1 2.790 0.030 . 1 . . . . . . . . 6133 1 499 . 1 1 42 42 ASP HB3 H 1 2.670 0.030 . 1 . . . . . . . . 6133 1 500 . 1 1 43 43 THR H H 1 7.430 0.030 . 1 . . . . . . . . 6133 1 501 . 1 1 43 43 THR N N 15 108.280 0.130 . 1 . . . . . . . . 6133 1 502 . 1 1 43 43 THR CA C 13 62.790 0.130 . 1 . . . . . . . . 6133 1 503 . 1 1 43 43 THR HA H 1 4.550 0.030 . 1 . . . . . . . . 6133 1 504 . 1 1 43 43 THR C C 13 175.580 0.130 . 1 . . . . . . . . 6133 1 505 . 1 1 43 43 THR CB C 13 71.390 0.130 . 1 . . . . . . . . 6133 1 506 . 1 1 43 43 THR HB H 1 3.930 0.030 . 1 . . . . . . . . 6133 1 507 . 1 1 43 43 THR CG2 C 13 21.650 0.130 . 1 . . . . . . . . 6133 1 508 . 1 1 43 43 THR HG21 H 1 1.160 0.030 . 1 . . . . . . . . 6133 1 509 . 1 1 43 43 THR HG22 H 1 1.160 0.030 . 1 . . . . . . . . 6133 1 510 . 1 1 43 43 THR HG23 H 1 1.160 0.030 . 1 . . . . . . . . 6133 1 511 . 1 1 44 44 VAL H H 1 8.200 0.030 . 1 . . . . . . . . 6133 1 512 . 1 1 44 44 VAL N N 15 121.920 0.130 . 1 . . . . . . . . 6133 1 513 . 1 1 44 44 VAL CA C 13 68.260 0.130 . 1 . . . . . . . . 6133 1 514 . 1 1 44 44 VAL HA H 1 3.750 0.030 . 1 . . . . . . . . 6133 1 515 . 1 1 44 44 VAL C C 13 174.600 0.130 . 1 . . . . . . . . 6133 1 516 . 1 1 44 44 VAL CB C 13 28.330 0.130 . 1 . . . . . . . . 6133 1 517 . 1 1 44 44 VAL HB H 1 1.330 0.030 . 1 . . . . . . . . 6133 1 518 . 1 1 44 44 VAL CG1 C 13 23.910 0.130 . 1 . . . . . . . . 6133 1 519 . 1 1 44 44 VAL HG11 H 1 0.550 0.030 . 1 . . . . . . . . 6133 1 520 . 1 1 44 44 VAL HG12 H 1 0.550 0.030 . 1 . . . . . . . . 6133 1 521 . 1 1 44 44 VAL HG13 H 1 0.550 0.030 . 1 . . . . . . . . 6133 1 522 . 1 1 44 44 VAL CG2 C 13 22.660 0.130 . 1 . . . . . . . . 6133 1 523 . 1 1 44 44 VAL HG21 H 1 0.580 0.030 . 1 . . . . . . . . 6133 1 524 . 1 1 44 44 VAL HG22 H 1 0.580 0.030 . 1 . . . . . . . . 6133 1 525 . 1 1 44 44 VAL HG23 H 1 0.580 0.030 . 1 . . . . . . . . 6133 1 526 . 1 1 45 45 PRO CA C 13 66.860 0.130 . 1 . . . . . . . . 6133 1 527 . 1 1 45 45 PRO HA H 1 4.050 0.030 . 1 . . . . . . . . 6133 1 528 . 1 1 45 45 PRO C C 13 179.420 0.130 . 1 . . . . . . . . 6133 1 529 . 1 1 45 45 PRO CB C 13 30.710 0.130 . 1 . . . . . . . . 6133 1 530 . 1 1 45 45 PRO HB2 H 1 2.315 0.030 . 1 . . . . . . . . 6133 1 531 . 1 1 45 45 PRO HB3 H 1 1.930 0.030 . 1 . . . . . . . . 6133 1 532 . 1 1 45 45 PRO CG C 13 28.440 0.130 . 1 . . . . . . . . 6133 1 533 . 1 1 45 45 PRO HG2 H 1 2.210 0.030 . 1 . . . . . . . . 6133 1 534 . 1 1 45 45 PRO HG3 H 1 1.540 0.030 . 1 . . . . . . . . 6133 1 535 . 1 1 45 45 PRO CD C 13 49.200 0.130 . 1 . . . . . . . . 6133 1 536 . 1 1 45 45 PRO HD2 H 1 3.610 0.030 . 1 . . . . . . . . 6133 1 537 . 1 1 45 45 PRO HD3 H 1 3.190 0.030 . 1 . . . . . . . . 6133 1 538 . 1 1 46 46 ASP H H 1 8.370 0.030 . 1 . . . . . . . . 6133 1 539 . 1 1 46 46 ASP N N 15 117.110 0.130 . 1 . . . . . . . . 6133 1 540 . 1 1 46 46 ASP CA C 13 57.480 0.130 . 1 . . . . . . . . 6133 1 541 . 1 1 46 46 ASP HA H 1 4.440 0.030 . 1 . . . . . . . . 6133 1 542 . 1 1 46 46 ASP C C 13 178.870 0.130 . 1 . . . . . . . . 6133 1 543 . 1 1 46 46 ASP CB C 13 40.300 0.130 . 1 . . . . . . . . 6133 1 544 . 1 1 46 46 ASP HB2 H 1 2.540 0.030 . 2 . . . . . . . . 6133 1 545 . 1 1 47 47 ASP H H 1 7.600 0.030 . 1 . . . . . . . . 6133 1 546 . 1 1 47 47 ASP N N 15 122.650 0.130 . 1 . . . . . . . . 6133 1 547 . 1 1 47 47 ASP CA C 13 56.850 0.130 . 1 . . . . . . . . 6133 1 548 . 1 1 47 47 ASP HA H 1 4.880 0.030 . 1 . . . . . . . . 6133 1 549 . 1 1 47 47 ASP C C 13 178.330 0.130 . 1 . . . . . . . . 6133 1 550 . 1 1 47 47 ASP CB C 13 40.550 0.130 . 1 . . . . . . . . 6133 1 551 . 1 1 47 47 ASP HB2 H 1 2.760 0.030 . 1 . . . . . . . . 6133 1 552 . 1 1 47 47 ASP HB3 H 1 2.340 0.030 . 1 . . . . . . . . 6133 1 553 . 1 1 48 48 VAL H H 1 8.150 0.030 . 1 . . . . . . . . 6133 1 554 . 1 1 48 48 VAL N N 15 120.900 0.130 . 1 . . . . . . . . 6133 1 555 . 1 1 48 48 VAL CA C 13 67.100 0.130 . 1 . . . . . . . . 6133 1 556 . 1 1 48 48 VAL HA H 1 3.550 0.030 . 1 . . . . . . . . 6133 1 557 . 1 1 48 48 VAL C C 13 177.560 0.130 . 1 . . . . . . . . 6133 1 558 . 1 1 48 48 VAL CB C 13 31.030 0.130 . 1 . . . . . . . . 6133 1 559 . 1 1 48 48 VAL HB H 1 2.320 0.030 . 1 . . . . . . . . 6133 1 560 . 1 1 48 48 VAL CG1 C 13 23.760 0.130 . 1 . . . . . . . . 6133 1 561 . 1 1 48 48 VAL HG11 H 1 1.040 0.030 . 1 . . . . . . . . 6133 1 562 . 1 1 48 48 VAL HG12 H 1 1.040 0.030 . 1 . . . . . . . . 6133 1 563 . 1 1 48 48 VAL HG13 H 1 1.040 0.030 . 1 . . . . . . . . 6133 1 564 . 1 1 48 48 VAL CG2 C 13 21.570 0.130 . 1 . . . . . . . . 6133 1 565 . 1 1 48 48 VAL HG21 H 1 1.070 0.030 . 1 . . . . . . . . 6133 1 566 . 1 1 48 48 VAL HG22 H 1 1.070 0.030 . 1 . . . . . . . . 6133 1 567 . 1 1 48 48 VAL HG23 H 1 1.070 0.030 . 1 . . . . . . . . 6133 1 568 . 1 1 49 49 LYS H H 1 7.690 0.030 . 1 . . . . . . . . 6133 1 569 . 1 1 49 49 LYS N N 15 117.470 0.130 . 1 . . . . . . . . 6133 1 570 . 1 1 49 49 LYS CA C 13 60.140 0.130 . 1 . . . . . . . . 6133 1 571 . 1 1 49 49 LYS HA H 1 4.200 0.030 . 1 . . . . . . . . 6133 1 572 . 1 1 49 49 LYS C C 13 179.750 0.130 . 1 . . . . . . . . 6133 1 573 . 1 1 49 49 LYS CB C 13 31.970 0.130 . 1 . . . . . . . . 6133 1 574 . 1 1 49 49 LYS HB2 H 1 2.000 0.030 . 2 . . . . . . . . 6133 1 575 . 1 1 49 49 LYS CG C 13 25.550 0.130 . 1 . . . . . . . . 6133 1 576 . 1 1 49 49 LYS HG2 H 1 1.680 0.030 . 1 . . . . . . . . 6133 1 577 . 1 1 49 49 LYS HG3 H 1 1.490 0.030 . 1 . . . . . . . . 6133 1 578 . 1 1 49 49 LYS CD C 13 29.380 0.130 . 1 . . . . . . . . 6133 1 579 . 1 1 49 49 LYS HD2 H 1 1.730 0.030 . 2 . . . . . . . . 6133 1 580 . 1 1 49 49 LYS CE C 13 41.700 0.130 . 1 . . . . . . . . 6133 1 581 . 1 1 49 49 LYS HE2 H 1 2.930 0.030 . 1 . . . . . . . . 6133 1 582 . 1 1 50 50 ARG H H 1 7.790 0.030 . 1 . . . . . . . . 6133 1 583 . 1 1 50 50 ARG N N 15 120.020 0.130 . 1 . . . . . . . . 6133 1 584 . 1 1 50 50 ARG CA C 13 59.510 0.130 . 1 . . . . . . . . 6133 1 585 . 1 1 50 50 ARG HA H 1 4.080 0.030 . 1 . . . . . . . . 6133 1 586 . 1 1 50 50 ARG C C 13 177.560 0.130 . 1 . . . . . . . . 6133 1 587 . 1 1 50 50 ARG CB C 13 29.770 0.130 . 1 . . . . . . . . 6133 1 588 . 1 1 50 50 ARG HB2 H 1 2.090 0.030 . 2 . . . . . . . . 6133 1 589 . 1 1 50 50 ARG CG C 13 27.980 0.130 . 1 . . . . . . . . 6133 1 590 . 1 1 50 50 ARG HG2 H 1 1.760 0.030 . 1 . . . . . . . . 6133 1 591 . 1 1 50 50 ARG HG3 H 1 1.640 0.030 . 1 . . . . . . . . 6133 1 592 . 1 1 50 50 ARG CD C 13 43.580 0.130 . 1 . . . . . . . . 6133 1 593 . 1 1 50 50 ARG HD2 H 1 3.210 0.030 . 2 . . . . . . . . 6133 1 594 . 1 1 51 51 LEU H H 1 8.020 0.030 . 1 . . . . . . . . 6133 1 595 . 1 1 51 51 LEU N N 15 119.080 0.130 . 1 . . . . . . . . 6133 1 596 . 1 1 51 51 LEU CA C 13 57.950 0.130 . 1 . . . . . . . . 6133 1 597 . 1 1 51 51 LEU HA H 1 4.060 0.030 . 1 . . . . . . . . 6133 1 598 . 1 1 51 51 LEU C C 13 179.090 0.130 . 1 . . . . . . . . 6133 1 599 . 1 1 51 51 LEU CB C 13 42.010 0.130 . 1 . . . . . . . . 6133 1 600 . 1 1 51 51 LEU HB2 H 1 2.380 0.030 . 1 . . . . . . . . 6133 1 601 . 1 1 51 51 LEU HB3 H 1 1.090 0.030 . 1 . . . . . . . . 6133 1 602 . 1 1 51 51 LEU CG C 13 25.940 0.130 . 1 . . . . . . . . 6133 1 603 . 1 1 51 51 LEU CD1 C 13 26.490 0.130 . 1 . . . . . . . . 6133 1 604 . 1 1 51 51 LEU HD11 H 1 0.820 0.030 . 1 . . . . . . . . 6133 1 605 . 1 1 51 51 LEU HD12 H 1 0.820 0.030 . 1 . . . . . . . . 6133 1 606 . 1 1 51 51 LEU HD13 H 1 0.820 0.030 . 1 . . . . . . . . 6133 1 607 . 1 1 51 51 LEU CD2 C 13 24.850 0.130 . 1 . . . . . . . . 6133 1 608 . 1 1 51 51 LEU HD21 H 1 0.800 0.030 . 1 . . . . . . . . 6133 1 609 . 1 1 51 51 LEU HD22 H 1 0.800 0.030 . 1 . . . . . . . . 6133 1 610 . 1 1 51 51 LEU HD23 H 1 0.800 0.030 . 1 . . . . . . . . 6133 1 611 . 1 1 51 51 LEU HG H 1 2.100 0.030 . 1 . . . . . . . . 6133 1 612 . 1 1 52 52 TYR H H 1 7.550 0.030 . 1 . . . . . . . . 6133 1 613 . 1 1 52 52 TYR N N 15 114.330 0.130 . 1 . . . . . . . . 6133 1 614 . 1 1 52 52 TYR CA C 13 63.110 0.130 . 1 . . . . . . . . 6133 1 615 . 1 1 52 52 TYR HA H 1 4.130 0.030 . 1 . . . . . . . . 6133 1 616 . 1 1 52 52 TYR C C 13 180.080 0.130 . 1 . . . . . . . . 6133 1 617 . 1 1 52 52 TYR CB C 13 38.260 0.130 . 1 . . . . . . . . 6133 1 618 . 1 1 52 52 TYR HB2 H 1 3.160 0.030 . 1 . . . . . . . . 6133 1 619 . 1 1 52 52 TYR HB3 H 1 3.050 0.030 . 1 . . . . . . . . 6133 1 620 . 1 1 52 52 TYR CD1 C 13 133.290 0.130 . 1 . . . . . . . . 6133 1 621 . 1 1 52 52 TYR HD1 H 1 7.290 0.030 . 2 . . . . . . . . 6133 1 622 . 1 1 52 52 TYR CD2 C 13 133.290 0.130 . 1 . . . . . . . . 6133 1 623 . 1 1 52 52 TYR CE1 C 13 117.930 0.130 . 1 . . . . . . . . 6133 1 624 . 1 1 52 52 TYR HE1 H 1 6.710 0.030 . 2 . . . . . . . . 6133 1 625 . 1 1 52 52 TYR CE2 C 13 117.930 0.130 . 1 . . . . . . . . 6133 1 626 . 1 1 53 53 THR H H 1 8.090 0.030 . 1 . . . . . . . . 6133 1 627 . 1 1 53 53 THR N N 15 116.590 0.130 . 1 . . . . . . . . 6133 1 628 . 1 1 53 53 THR CA C 13 66.230 0.130 . 1 . . . . . . . . 6133 1 629 . 1 1 53 53 THR HA H 1 4.060 0.030 . 1 . . . . . . . . 6133 1 630 . 1 1 53 53 THR C C 13 177.230 0.130 . 1 . . . . . . . . 6133 1 631 . 1 1 53 53 THR CB C 13 68.730 0.130 . 1 . . . . . . . . 6133 1 632 . 1 1 53 53 THR HB H 1 4.360 0.030 . 1 . . . . . . . . 6133 1 633 . 1 1 53 53 THR CG2 C 13 21.880 0.130 . 1 . . . . . . . . 6133 1 634 . 1 1 53 53 THR HG21 H 1 1.300 0.030 . 1 . . . . . . . . 6133 1 635 . 1 1 53 53 THR HG22 H 1 1.300 0.030 . 1 . . . . . . . . 6133 1 636 . 1 1 53 53 THR HG23 H 1 1.300 0.030 . 1 . . . . . . . . 6133 1 637 . 1 1 54 54 GLU H H 1 8.980 0.030 . 1 . . . . . . . . 6133 1 638 . 1 1 54 54 GLU N N 15 124.040 0.130 . 1 . . . . . . . . 6133 1 639 . 1 1 54 54 GLU CA C 13 58.890 0.130 . 1 . . . . . . . . 6133 1 640 . 1 1 54 54 GLU HA H 1 3.990 0.030 . 1 . . . . . . . . 6133 1 641 . 1 1 54 54 GLU C C 13 178.330 0.130 . 1 . . . . . . . . 6133 1 642 . 1 1 54 54 GLU CB C 13 28.210 0.130 . 1 . . . . . . . . 6133 1 643 . 1 1 54 54 GLU HB2 H 1 2.340 0.030 . 1 . . . . . . . . 6133 1 644 . 1 1 54 54 GLU HB3 H 1 1.800 0.030 . 1 . . . . . . . . 6133 1 645 . 1 1 54 54 GLU CG C 13 37.170 0.130 . 1 . . . . . . . . 6133 1 646 . 1 1 54 54 GLU HG2 H 1 2.450 0.030 . 1 . . . . . . . . 6133 1 647 . 1 1 54 54 GLU HG3 H 1 2.170 0.030 . 1 . . . . . . . . 6133 1 648 . 1 1 55 55 ALA H H 1 8.610 0.030 . 1 . . . . . . . . 6133 1 649 . 1 1 55 55 ALA N N 15 120.680 0.130 . 1 . . . . . . . . 6133 1 650 . 1 1 55 55 ALA CA C 13 55.140 0.130 . 1 . . . . . . . . 6133 1 651 . 1 1 55 55 ALA HA H 1 3.960 0.030 . 1 . . . . . . . . 6133 1 652 . 1 1 55 55 ALA C C 13 181.180 0.130 . 1 . . . . . . . . 6133 1 653 . 1 1 55 55 ALA CB C 13 17.660 0.130 . 1 . . . . . . . . 6133 1 654 . 1 1 55 55 ALA HB1 H 1 1.440 0.030 . 1 . . . . . . . . 6133 1 655 . 1 1 55 55 ALA HB2 H 1 1.440 0.030 . 1 . . . . . . . . 6133 1 656 . 1 1 55 55 ALA HB3 H 1 1.440 0.030 . 1 . . . . . . . . 6133 1 657 . 1 1 56 56 ALA H H 1 7.990 0.030 . 1 . . . . . . . . 6133 1 658 . 1 1 56 56 ALA N N 15 120.830 0.130 . 1 . . . . . . . . 6133 1 659 . 1 1 56 56 ALA CA C 13 54.830 0.130 . 1 . . . . . . . . 6133 1 660 . 1 1 56 56 ALA HA H 1 4.270 0.030 . 1 . . . . . . . . 6133 1 661 . 1 1 56 56 ALA C C 13 179.420 0.130 . 1 . . . . . . . . 6133 1 662 . 1 1 56 56 ALA CB C 13 18.210 0.130 . 1 . . . . . . . . 6133 1 663 . 1 1 56 56 ALA HB1 H 1 1.650 0.030 . 1 . . . . . . . . 6133 1 664 . 1 1 56 56 ALA HB2 H 1 1.650 0.030 . 1 . . . . . . . . 6133 1 665 . 1 1 56 56 ALA HB3 H 1 1.650 0.030 . 1 . . . . . . . . 6133 1 666 . 1 1 57 57 THR H H 1 7.190 0.030 . 1 . . . . . . . . 6133 1 667 . 1 1 57 57 THR N N 15 105.120 0.130 . 1 . . . . . . . . 6133 1 668 . 1 1 57 57 THR CA C 13 60.300 0.130 . 1 . . . . . . . . 6133 1 669 . 1 1 57 57 THR HA H 1 4.490 0.030 . 1 . . . . . . . . 6133 1 670 . 1 1 57 57 THR C C 13 174.050 0.130 . 1 . . . . . . . . 6133 1 671 . 1 1 57 57 THR CB C 13 69.050 0.130 . 1 . . . . . . . . 6133 1 672 . 1 1 57 57 THR HB H 1 4.520 0.030 . 1 . . . . . . . . 6133 1 673 . 1 1 57 57 THR CG2 C 13 21.650 0.130 . 1 . . . . . . . . 6133 1 674 . 1 1 57 57 THR HG21 H 1 1.270 0.030 . 1 . . . . . . . . 6133 1 675 . 1 1 57 57 THR HG22 H 1 1.270 0.030 . 1 . . . . . . . . 6133 1 676 . 1 1 57 57 THR HG23 H 1 1.270 0.030 . 1 . . . . . . . . 6133 1 677 . 1 1 58 58 SER H H 1 7.770 0.030 . 1 . . . . . . . . 6133 1 678 . 1 1 58 58 SER N N 15 114.620 0.130 . 1 . . . . . . . . 6133 1 679 . 1 1 58 58 SER CA C 13 58.420 0.130 . 1 . . . . . . . . 6133 1 680 . 1 1 58 58 SER HA H 1 3.150 0.030 . 1 . . . . . . . . 6133 1 681 . 1 1 58 58 SER C C 13 172.620 0.130 . 1 . . . . . . . . 6133 1 682 . 1 1 58 58 SER CB C 13 60.920 0.130 . 1 . . . . . . . . 6133 1 683 . 1 1 58 58 SER HB2 H 1 3.920 0.030 . 1 . . . . . . . . 6133 1 684 . 1 1 58 58 SER HB3 H 1 3.790 0.030 . 1 . . . . . . . . 6133 1 685 . 1 1 59 59 ASP H H 1 8.050 0.030 . 1 . . . . . . . . 6133 1 686 . 1 1 59 59 ASP N N 15 118.560 0.130 . 1 . . . . . . . . 6133 1 687 . 1 1 59 59 ASP CA C 13 51.080 0.130 . 1 . . . . . . . . 6133 1 688 . 1 1 59 59 ASP HA H 1 4.670 0.030 . 1 . . . . . . . . 6133 1 689 . 1 1 59 59 ASP C C 13 176.020 0.130 . 1 . . . . . . . . 6133 1 690 . 1 1 59 59 ASP CB C 13 38.780 0.130 . 1 . . . . . . . . 6133 1 691 . 1 1 59 59 ASP HB2 H 1 2.890 0.030 . 1 . . . . . . . . 6133 1 692 . 1 1 59 59 ASP HB3 H 1 2.350 0.030 . 1 . . . . . . . . 6133 1 693 . 1 1 60 60 PHE H H 1 7.480 0.030 . 1 . . . . . . . . 6133 1 694 . 1 1 60 60 PHE N N 15 121.260 0.130 . 1 . . . . . . . . 6133 1 695 . 1 1 60 60 PHE CA C 13 61.550 0.130 . 1 . . . . . . . . 6133 1 696 . 1 1 60 60 PHE HA H 1 4.170 0.030 . 1 . . . . . . . . 6133 1 697 . 1 1 60 60 PHE C C 13 178.220 0.130 . 1 . . . . . . . . 6133 1 698 . 1 1 60 60 PHE CB C 13 38.260 0.130 . 1 . . . . . . . . 6133 1 699 . 1 1 60 60 PHE HB2 H 1 3.280 0.030 . 1 . . . . . . . . 6133 1 700 . 1 1 60 60 PHE HB3 H 1 2.930 0.030 . 1 . . . . . . . . 6133 1 701 . 1 1 60 60 PHE CD1 C 13 131.200 0.130 . 1 . . . . . . . . 6133 1 702 . 1 1 60 60 PHE HD1 H 1 7.300 0.030 . 2 . . . . . . . . 6133 1 703 . 1 1 60 60 PHE CD2 C 13 131.200 0.130 . 1 . . . . . . . . 6133 1 704 . 1 1 60 60 PHE CE1 C 13 131.200 0.130 . 1 . . . . . . . . 6133 1 705 . 1 1 60 60 PHE HE1 H 1 7.300 0.030 . 2 . . . . . . . . 6133 1 706 . 1 1 60 60 PHE CE2 C 13 131.200 0.130 . 1 . . . . . . . . 6133 1 707 . 1 1 60 60 PHE CZ C 13 129.660 0.130 . 1 . . . . . . . . 6133 1 708 . 1 1 60 60 PHE HZ H 1 7.260 0.030 . 1 . . . . . . . . 6133 1 709 . 1 1 61 61 ALA H H 1 8.600 0.030 . 1 . . . . . . . . 6133 1 710 . 1 1 61 61 ALA N N 15 123.010 0.130 . 1 . . . . . . . . 6133 1 711 . 1 1 61 61 ALA CA C 13 54.980 0.130 . 1 . . . . . . . . 6133 1 712 . 1 1 61 61 ALA HA H 1 4.190 0.030 . 1 . . . . . . . . 6133 1 713 . 1 1 61 61 ALA C C 13 180.080 0.130 . 1 . . . . . . . . 6133 1 714 . 1 1 61 61 ALA CB C 13 17.980 0.130 . 1 . . . . . . . . 6133 1 715 . 1 1 61 61 ALA HB1 H 1 1.520 0.030 . 1 . . . . . . . . 6133 1 716 . 1 1 61 61 ALA HB2 H 1 1.520 0.030 . 1 . . . . . . . . 6133 1 717 . 1 1 61 61 ALA HB3 H 1 1.520 0.030 . 1 . . . . . . . . 6133 1 718 . 1 1 62 62 ALA H H 1 7.550 0.030 . 1 . . . . . . . . 6133 1 719 . 1 1 62 62 ALA N N 15 122.800 0.130 . 1 . . . . . . . . 6133 1 720 . 1 1 62 62 ALA CA C 13 54.830 0.130 . 1 . . . . . . . . 6133 1 721 . 1 1 62 62 ALA HA H 1 4.070 0.030 . 1 . . . . . . . . 6133 1 722 . 1 1 62 62 ALA C C 13 179.640 0.130 . 1 . . . . . . . . 6133 1 723 . 1 1 62 62 ALA CB C 13 18.290 0.130 . 1 . . . . . . . . 6133 1 724 . 1 1 62 62 ALA HB1 H 1 1.310 0.030 . 1 . . . . . . . . 6133 1 725 . 1 1 62 62 ALA HB2 H 1 1.310 0.030 . 1 . . . . . . . . 6133 1 726 . 1 1 62 62 ALA HB3 H 1 1.310 0.030 . 1 . . . . . . . . 6133 1 727 . 1 1 63 63 LEU H H 1 8.480 0.030 . 1 . . . . . . . . 6133 1 728 . 1 1 63 63 LEU N N 15 118.860 0.130 . 1 . . . . . . . . 6133 1 729 . 1 1 63 63 LEU CA C 13 57.330 0.130 . 1 . . . . . . . . 6133 1 730 . 1 1 63 63 LEU HA H 1 4.210 0.030 . 1 . . . . . . . . 6133 1 731 . 1 1 63 63 LEU C C 13 178.550 0.130 . 1 . . . . . . . . 6133 1 732 . 1 1 63 63 LEU CB C 13 43.420 0.130 . 1 . . . . . . . . 6133 1 733 . 1 1 63 63 LEU HB2 H 1 1.890 0.030 . 1 . . . . . . . . 6133 1 734 . 1 1 63 63 LEU HB3 H 1 1.460 0.030 . 1 . . . . . . . . 6133 1 735 . 1 1 63 63 LEU CG C 13 26.220 0.130 . 1 . . . . . . . . 6133 1 736 . 1 1 63 63 LEU CD1 C 13 26.570 0.130 . 1 . . . . . . . . 6133 1 737 . 1 1 63 63 LEU HD11 H 1 1.030 0.030 . 1 . . . . . . . . 6133 1 738 . 1 1 63 63 LEU HD12 H 1 1.030 0.030 . 1 . . . . . . . . 6133 1 739 . 1 1 63 63 LEU HD13 H 1 1.030 0.030 . 1 . . . . . . . . 6133 1 740 . 1 1 63 63 LEU CD2 C 13 26.410 0.130 . 1 . . . . . . . . 6133 1 741 . 1 1 63 63 LEU HD21 H 1 0.840 0.030 . 1 . . . . . . . . 6133 1 742 . 1 1 63 63 LEU HD22 H 1 0.840 0.030 . 1 . . . . . . . . 6133 1 743 . 1 1 63 63 LEU HD23 H 1 0.840 0.030 . 1 . . . . . . . . 6133 1 744 . 1 1 63 63 LEU HG H 1 1.660 0.030 . 1 . . . . . . . . 6133 1 745 . 1 1 64 64 ALA H H 1 7.940 0.030 . 1 . . . . . . . . 6133 1 746 . 1 1 64 64 ALA N N 15 117.690 0.130 . 1 . . . . . . . . 6133 1 747 . 1 1 64 64 ALA CA C 13 55.300 0.130 . 1 . . . . . . . . 6133 1 748 . 1 1 64 64 ALA HA H 1 3.990 0.030 . 1 . . . . . . . . 6133 1 749 . 1 1 64 64 ALA C C 13 180.850 0.130 . 1 . . . . . . . . 6133 1 750 . 1 1 64 64 ALA CB C 13 18.600 0.130 . 1 . . . . . . . . 6133 1 751 . 1 1 64 64 ALA HB1 H 1 1.580 0.030 . 1 . . . . . . . . 6133 1 752 . 1 1 64 64 ALA HB2 H 1 1.580 0.030 . 1 . . . . . . . . 6133 1 753 . 1 1 64 64 ALA HB3 H 1 1.580 0.030 . 1 . . . . . . . . 6133 1 754 . 1 1 65 65 GLN H H 1 7.430 0.030 . 1 . . . . . . . . 6133 1 755 . 1 1 65 65 GLN N N 15 118.350 0.130 . 1 . . . . . . . . 6133 1 756 . 1 1 65 65 GLN CA C 13 58.730 0.130 . 1 . . . . . . . . 6133 1 757 . 1 1 65 65 GLN HA H 1 4.170 0.030 . 1 . . . . . . . . 6133 1 758 . 1 1 65 65 GLN C C 13 178.770 0.130 . 1 . . . . . . . . 6133 1 759 . 1 1 65 65 GLN CB C 13 28.380 0.130 . 1 . . . . . . . . 6133 1 760 . 1 1 65 65 GLN HB2 H 1 2.320 0.030 . 1 . . . . . . . . 6133 1 761 . 1 1 65 65 GLN HB3 H 1 2.240 0.030 . 1 . . . . . . . . 6133 1 762 . 1 1 65 65 GLN CG C 13 33.730 0.130 . 1 . . . . . . . . 6133 1 763 . 1 1 65 65 GLN HG2 H 1 2.550 0.030 . 1 . . . . . . . . 6133 1 764 . 1 1 65 65 GLN HG3 H 1 2.450 0.030 . 1 . . . . . . . . 6133 1 765 . 1 1 65 65 GLN NE2 N 15 111.720 0.130 . 1 . . . . . . . . 6133 1 766 . 1 1 65 65 GLN HE21 H 1 7.450 0.030 . 1 . . . . . . . . 6133 1 767 . 1 1 65 65 GLN HE22 H 1 6.940 0.030 . 1 . . . . . . . . 6133 1 768 . 1 1 66 66 THR H H 1 8.900 0.030 . 1 . . . . . . . . 6133 1 769 . 1 1 66 66 THR N N 15 122.140 0.130 . 1 . . . . . . . . 6133 1 770 . 1 1 66 66 THR CA C 13 66.550 0.130 . 1 . . . . . . . . 6133 1 771 . 1 1 66 66 THR HA H 1 3.740 0.030 . 1 . . . . . . . . 6133 1 772 . 1 1 66 66 THR C C 13 176.430 0.130 . 1 . . . . . . . . 6133 1 773 . 1 1 66 66 THR CB C 13 66.860 0.130 . 1 . . . . . . . . 6133 1 774 . 1 1 66 66 THR HB H 1 4.230 0.030 . 1 . . . . . . . . 6133 1 775 . 1 1 66 66 THR CG2 C 13 24.460 0.130 . 1 . . . . . . . . 6133 1 776 . 1 1 66 66 THR HG21 H 1 1.060 0.030 . 1 . . . . . . . . 6133 1 777 . 1 1 66 66 THR HG22 H 1 1.060 0.030 . 1 . . . . . . . . 6133 1 778 . 1 1 66 66 THR HG23 H 1 1.060 0.030 . 1 . . . . . . . . 6133 1 779 . 1 1 67 67 ALA H H 1 9.040 0.030 . 1 . . . . . . . . 6133 1 780 . 1 1 67 67 ALA N N 15 122.210 0.130 . 1 . . . . . . . . 6133 1 781 . 1 1 67 67 ALA CA C 13 55.760 0.130 . 1 . . . . . . . . 6133 1 782 . 1 1 67 67 ALA HA H 1 3.910 0.030 . 1 . . . . . . . . 6133 1 783 . 1 1 67 67 ALA C C 13 178.330 0.130 . 1 . . . . . . . . 6133 1 784 . 1 1 67 67 ALA CB C 13 18.600 0.130 . 1 . . . . . . . . 6133 1 785 . 1 1 67 67 ALA HB1 H 1 1.380 0.030 . 1 . . . . . . . . 6133 1 786 . 1 1 67 67 ALA HB2 H 1 1.380 0.030 . 1 . . . . . . . . 6133 1 787 . 1 1 67 67 ALA HB3 H 1 1.380 0.030 . 1 . . . . . . . . 6133 1 788 . 1 1 68 68 HIS H H 1 7.750 0.030 . 1 . . . . . . . . 6133 1 789 . 1 1 68 68 HIS N N 15 115.940 0.130 . 1 . . . . . . . . 6133 1 790 . 1 1 68 68 HIS CA C 13 59.830 0.130 . 1 . . . . . . . . 6133 1 791 . 1 1 68 68 HIS HA H 1 4.190 0.030 . 1 . . . . . . . . 6133 1 792 . 1 1 68 68 HIS C C 13 177.890 0.130 . 1 . . . . . . . . 6133 1 793 . 1 1 68 68 HIS CB C 13 29.470 0.130 . 1 . . . . . . . . 6133 1 794 . 1 1 68 68 HIS HB2 H 1 3.370 0.030 . 1 . . . . . . . . 6133 1 795 . 1 1 68 68 HIS HB3 H 1 3.330 0.030 . 1 . . . . . . . . 6133 1 796 . 1 1 68 68 HIS CD2 C 13 120.740 0.130 . 1 . . . . . . . . 6133 1 797 . 1 1 68 68 HIS HD2 H 1 7.140 0.030 . 1 . . . . . . . . 6133 1 798 . 1 1 68 68 HIS CE1 C 13 138.020 0.130 . 1 . . . . . . . . 6133 1 799 . 1 1 68 68 HIS HE1 H 1 7.910 0.030 . 1 . . . . . . . . 6133 1 800 . 1 1 69 69 ARG H H 1 8.160 0.030 . 1 . . . . . . . . 6133 1 801 . 1 1 69 69 ARG N N 15 121.630 0.130 . 1 . . . . . . . . 6133 1 802 . 1 1 69 69 ARG CA C 13 59.510 0.130 . 1 . . . . . . . . 6133 1 803 . 1 1 69 69 ARG HA H 1 3.990 0.030 . 1 . . . . . . . . 6133 1 804 . 1 1 69 69 ARG C C 13 179.640 0.130 . 1 . . . . . . . . 6133 1 805 . 1 1 69 69 ARG CB C 13 30.160 0.130 . 1 . . . . . . . . 6133 1 806 . 1 1 69 69 ARG HB2 H 1 1.970 0.030 . 1 . . . . . . . . 6133 1 807 . 1 1 69 69 ARG HB3 H 1 1.940 0.030 . 1 . . . . . . . . 6133 1 808 . 1 1 69 69 ARG CG C 13 27.900 0.130 . 1 . . . . . . . . 6133 1 809 . 1 1 69 69 ARG HG2 H 1 1.760 0.030 . 1 . . . . . . . . 6133 1 810 . 1 1 69 69 ARG HG3 H 1 1.440 0.030 . 1 . . . . . . . . 6133 1 811 . 1 1 69 69 ARG CD C 13 43.420 0.130 . 1 . . . . . . . . 6133 1 812 . 1 1 69 69 ARG HD2 H 1 3.290 0.030 . 2 . . . . . . . . 6133 1 813 . 1 1 70 70 LEU H H 1 8.520 0.030 . 1 . . . . . . . . 6133 1 814 . 1 1 70 70 LEU N N 15 120.830 0.130 . 1 . . . . . . . . 6133 1 815 . 1 1 70 70 LEU CA C 13 57.640 0.130 . 1 . . . . . . . . 6133 1 816 . 1 1 70 70 LEU HA H 1 3.810 0.030 . 1 . . . . . . . . 6133 1 817 . 1 1 70 70 LEU C C 13 177.450 0.130 . 1 . . . . . . . . 6133 1 818 . 1 1 70 70 LEU CB C 13 42.800 0.130 . 1 . . . . . . . . 6133 1 819 . 1 1 70 70 LEU HB2 H 1 1.830 0.030 . 1 . . . . . . . . 6133 1 820 . 1 1 70 70 LEU HB3 H 1 1.600 0.030 . 1 . . . . . . . . 6133 1 821 . 1 1 70 70 LEU CG C 13 25.710 0.130 . 1 . . . . . . . . 6133 1 822 . 1 1 70 70 LEU CD1 C 13 25.940 0.130 . 1 . . . . . . . . 6133 1 823 . 1 1 70 70 LEU HD11 H 1 0.690 0.030 . 1 . . . . . . . . 6133 1 824 . 1 1 70 70 LEU HD12 H 1 0.690 0.030 . 1 . . . . . . . . 6133 1 825 . 1 1 70 70 LEU HD13 H 1 0.690 0.030 . 1 . . . . . . . . 6133 1 826 . 1 1 70 70 LEU CD2 C 13 25.710 0.130 . 1 . . . . . . . . 6133 1 827 . 1 1 70 70 LEU HD21 H 1 0.800 0.030 . 1 . . . . . . . . 6133 1 828 . 1 1 70 70 LEU HD22 H 1 0.800 0.030 . 1 . . . . . . . . 6133 1 829 . 1 1 70 70 LEU HD23 H 1 0.800 0.030 . 1 . . . . . . . . 6133 1 830 . 1 1 70 70 LEU HG H 1 1.600 0.030 . 1 . . . . . . . . 6133 1 831 . 1 1 71 71 LYS H H 1 8.380 0.030 . 1 . . . . . . . . 6133 1 832 . 1 1 71 71 LYS N N 15 119.800 0.130 . 1 . . . . . . . . 6133 1 833 . 1 1 71 71 LYS CA C 13 61.390 0.130 . 1 . . . . . . . . 6133 1 834 . 1 1 71 71 LYS HA H 1 3.890 0.030 . 1 . . . . . . . . 6133 1 835 . 1 1 71 71 LYS C C 13 178.220 0.130 . 1 . . . . . . . . 6133 1 836 . 1 1 71 71 LYS CB C 13 31.970 0.130 . 1 . . . . . . . . 6133 1 837 . 1 1 71 71 LYS HB2 H 1 2.000 0.030 . 1 . . . . . . . . 6133 1 838 . 1 1 71 71 LYS HB3 H 1 1.770 0.030 . 1 . . . . . . . . 6133 1 839 . 1 1 71 71 LYS CG C 13 25.240 0.130 . 1 . . . . . . . . 6133 1 840 . 1 1 71 71 LYS HG2 H 1 1.740 0.030 . 1 . . . . . . . . 6133 1 841 . 1 1 71 71 LYS HG3 H 1 1.450 0.030 . 1 . . . . . . . . 6133 1 842 . 1 1 71 71 LYS CD C 13 29.280 0.130 . 1 . . . . . . . . 6133 1 843 . 1 1 71 71 LYS HD2 H 1 1.740 0.030 . 2 . . . . . . . . 6133 1 844 . 1 1 71 71 LYS CE C 13 41.080 0.130 . 1 . . . . . . . . 6133 1 845 . 1 1 71 71 LYS HE2 H 1 2.890 0.030 . 1 . . . . . . . . 6133 1 846 . 1 1 71 71 LYS HE3 H 1 2.790 0.030 . 1 . . . . . . . . 6133 1 847 . 1 1 72 72 GLY H H 1 7.500 0.030 . 1 . . . . . . . . 6133 1 848 . 1 1 72 72 GLY N N 15 103.190 0.130 . 1 . . . . . . . . 6133 1 849 . 1 1 72 72 GLY CA C 13 46.860 0.130 . 1 . . . . . . . . 6133 1 850 . 1 1 72 72 GLY HA2 H 1 3.900 0.030 . 1 . . . . . . . . 6133 1 851 . 1 1 72 72 GLY HA3 H 1 3.820 0.030 . 1 . . . . . . . . 6133 1 852 . 1 1 72 72 GLY C C 13 176.790 0.130 . 1 . . . . . . . . 6133 1 853 . 1 1 73 73 VAL H H 1 7.770 0.030 . 1 . . . . . . . . 6133 1 854 . 1 1 73 73 VAL N N 15 124.840 0.130 . 1 . . . . . . . . 6133 1 855 . 1 1 73 73 VAL CA C 13 66.700 0.130 . 1 . . . . . . . . 6133 1 856 . 1 1 73 73 VAL HA H 1 3.680 0.030 . 1 . . . . . . . . 6133 1 857 . 1 1 73 73 VAL C C 13 178.000 0.130 . 1 . . . . . . . . 6133 1 858 . 1 1 73 73 VAL CB C 13 31.260 0.130 . 1 . . . . . . . . 6133 1 859 . 1 1 73 73 VAL HB H 1 1.860 0.030 . 1 . . . . . . . . 6133 1 860 . 1 1 73 73 VAL CG1 C 13 22.270 0.130 . 1 . . . . . . . . 6133 1 861 . 1 1 73 73 VAL HG11 H 1 0.930 0.030 . 1 . . . . . . . . 6133 1 862 . 1 1 73 73 VAL HG12 H 1 0.930 0.030 . 1 . . . . . . . . 6133 1 863 . 1 1 73 73 VAL HG13 H 1 0.930 0.030 . 1 . . . . . . . . 6133 1 864 . 1 1 73 73 VAL CG2 C 13 21.490 0.130 . 1 . . . . . . . . 6133 1 865 . 1 1 73 73 VAL HG21 H 1 0.680 0.030 . 1 . . . . . . . . 6133 1 866 . 1 1 73 73 VAL HG22 H 1 0.680 0.030 . 1 . . . . . . . . 6133 1 867 . 1 1 73 73 VAL HG23 H 1 0.680 0.030 . 1 . . . . . . . . 6133 1 868 . 1 1 74 74 PHE H H 1 8.450 0.030 . 1 . . . . . . . . 6133 1 869 . 1 1 74 74 PHE N N 15 117.030 0.130 . 1 . . . . . . . . 6133 1 870 . 1 1 74 74 PHE CA C 13 61.550 0.130 . 1 . . . . . . . . 6133 1 871 . 1 1 74 74 PHE HA H 1 4.470 0.030 . 1 . . . . . . . . 6133 1 872 . 1 1 74 74 PHE C C 13 178.660 0.130 . 1 . . . . . . . . 6133 1 873 . 1 1 74 74 PHE CB C 13 37.640 0.130 . 1 . . . . . . . . 6133 1 874 . 1 1 74 74 PHE HB2 H 1 3.760 0.030 . 1 . . . . . . . . 6133 1 875 . 1 1 74 74 PHE HB3 H 1 2.860 0.030 . 1 . . . . . . . . 6133 1 876 . 1 1 74 74 PHE CD1 C 13 131.930 0.130 . 1 . . . . . . . . 6133 1 877 . 1 1 74 74 PHE HD1 H 1 7.500 0.030 . 2 . . . . . . . . 6133 1 878 . 1 1 74 74 PHE CD2 C 13 131.930 0.130 . 1 . . . . . . . . 6133 1 879 . 1 1 74 74 PHE CE1 C 13 130.020 0.130 . 1 . . . . . . . . 6133 1 880 . 1 1 74 74 PHE HE1 H 1 7.180 0.030 . 2 . . . . . . . . 6133 1 881 . 1 1 74 74 PHE CE2 C 13 130.020 0.130 . 1 . . . . . . . . 6133 1 882 . 1 1 74 74 PHE CZ C 13 128.200 0.130 . 1 . . . . . . . . 6133 1 883 . 1 1 74 74 PHE HZ H 1 7.140 0.030 . 1 . . . . . . . . 6133 1 884 . 1 1 75 75 ALA H H 1 8.760 0.030 . 1 . . . . . . . . 6133 1 885 . 1 1 75 75 ALA N N 15 119.510 0.130 . 1 . . . . . . . . 6133 1 886 . 1 1 75 75 ALA CA C 13 55.300 0.130 . 1 . . . . . . . . 6133 1 887 . 1 1 75 75 ALA HA H 1 4.090 0.030 . 1 . . . . . . . . 6133 1 888 . 1 1 75 75 ALA C C 13 181.070 0.130 . 1 . . . . . . . . 6133 1 889 . 1 1 75 75 ALA CB C 13 18.290 0.130 . 1 . . . . . . . . 6133 1 890 . 1 1 75 75 ALA HB1 H 1 1.550 0.030 . 1 . . . . . . . . 6133 1 891 . 1 1 75 75 ALA HB2 H 1 1.550 0.030 . 1 . . . . . . . . 6133 1 892 . 1 1 75 75 ALA HB3 H 1 1.550 0.030 . 1 . . . . . . . . 6133 1 893 . 1 1 76 76 MET H H 1 8.130 0.030 . 1 . . . . . . . . 6133 1 894 . 1 1 76 76 MET N N 15 120.390 0.130 . 1 . . . . . . . . 6133 1 895 . 1 1 76 76 MET CA C 13 58.580 0.130 . 1 . . . . . . . . 6133 1 896 . 1 1 76 76 MET HA H 1 4.090 0.030 . 1 . . . . . . . . 6133 1 897 . 1 1 76 76 MET C C 13 176.900 0.130 . 1 . . . . . . . . 6133 1 898 . 1 1 76 76 MET CB C 13 32.130 0.130 . 1 . . . . . . . . 6133 1 899 . 1 1 76 76 MET HB2 H 1 2.200 0.030 . 1 . . . . . . . . 6133 1 900 . 1 1 76 76 MET HB3 H 1 2.180 0.030 . 1 . . . . . . . . 6133 1 901 . 1 1 76 76 MET CG C 13 31.260 0.130 . 1 . . . . . . . . 6133 1 902 . 1 1 76 76 MET HG2 H 1 2.530 0.030 . 1 . . . . . . . . 6133 1 903 . 1 1 76 76 MET HG3 H 1 2.470 0.030 . 1 . . . . . . . . 6133 1 904 . 1 1 77 77 LEU H H 1 7.610 0.030 . 1 . . . . . . . . 6133 1 905 . 1 1 77 77 LEU N N 15 117.320 0.130 . 1 . . . . . . . . 6133 1 906 . 1 1 77 77 LEU CA C 13 54.360 0.130 . 1 . . . . . . . . 6133 1 907 . 1 1 77 77 LEU HA H 1 4.130 0.030 . 1 . . . . . . . . 6133 1 908 . 1 1 77 77 LEU C C 13 175.040 0.130 . 1 . . . . . . . . 6133 1 909 . 1 1 77 77 LEU CB C 13 41.700 0.130 . 1 . . . . . . . . 6133 1 910 . 1 1 77 77 LEU HB2 H 1 1.770 0.030 . 1 . . . . . . . . 6133 1 911 . 1 1 77 77 LEU HB3 H 1 1.730 0.030 . 1 . . . . . . . . 6133 1 912 . 1 1 77 77 LEU CG C 13 27.270 0.130 . 1 . . . . . . . . 6133 1 913 . 1 1 77 77 LEU CD1 C 13 26.180 0.130 . 1 . . . . . . . . 6133 1 914 . 1 1 77 77 LEU HD11 H 1 0.810 0.030 . 1 . . . . . . . . 6133 1 915 . 1 1 77 77 LEU HD12 H 1 0.810 0.030 . 1 . . . . . . . . 6133 1 916 . 1 1 77 77 LEU HD13 H 1 0.810 0.030 . 1 . . . . . . . . 6133 1 917 . 1 1 77 77 LEU CD2 C 13 23.680 0.130 . 1 . . . . . . . . 6133 1 918 . 1 1 77 77 LEU HD21 H 1 0.690 0.030 . 1 . . . . . . . . 6133 1 919 . 1 1 77 77 LEU HD22 H 1 0.690 0.030 . 1 . . . . . . . . 6133 1 920 . 1 1 77 77 LEU HD23 H 1 0.690 0.030 . 1 . . . . . . . . 6133 1 921 . 1 1 77 77 LEU HG H 1 1.850 0.030 . 1 . . . . . . . . 6133 1 922 . 1 1 78 78 ASN H H 1 7.920 0.030 . 1 . . . . . . . . 6133 1 923 . 1 1 78 78 ASN N N 15 115.210 0.130 . 1 . . . . . . . . 6133 1 924 . 1 1 78 78 ASN CA C 13 54.360 0.130 . 1 . . . . . . . . 6133 1 925 . 1 1 78 78 ASN HA H 1 4.300 0.030 . 1 . . . . . . . . 6133 1 926 . 1 1 78 78 ASN C C 13 174.270 0.130 . 1 . . . . . . . . 6133 1 927 . 1 1 78 78 ASN CB C 13 37.170 0.130 . 1 . . . . . . . . 6133 1 928 . 1 1 78 78 ASN HB2 H 1 3.290 0.030 . 1 . . . . . . . . 6133 1 929 . 1 1 78 78 ASN HB3 H 1 2.810 0.030 . 1 . . . . . . . . 6133 1 930 . 1 1 78 78 ASN ND2 N 15 112.420 0.130 . 1 . . . . . . . . 6133 1 931 . 1 1 78 78 ASN HD21 H 1 7.650 0.030 . 1 . . . . . . . . 6133 1 932 . 1 1 78 78 ASN HD22 H 1 6.820 0.030 . 1 . . . . . . . . 6133 1 933 . 1 1 79 79 LEU H H 1 8.480 0.030 . 1 . . . . . . . . 6133 1 934 . 1 1 79 79 LEU N N 15 121.410 0.130 . 1 . . . . . . . . 6133 1 935 . 1 1 79 79 LEU CA C 13 52.310 0.130 . 1 . . . . . . . . 6133 1 936 . 1 1 79 79 LEU HA H 1 4.820 0.030 . 1 . . . . . . . . 6133 1 937 . 1 1 79 79 LEU C C 13 176.680 0.130 . 1 . . . . . . . . 6133 1 938 . 1 1 79 79 LEU CB C 13 39.670 0.130 . 1 . . . . . . . . 6133 1 939 . 1 1 79 79 LEU HB2 H 1 2.160 0.030 . 1 . . . . . . . . 6133 1 940 . 1 1 79 79 LEU HB3 H 1 2.100 0.030 . 1 . . . . . . . . 6133 1 941 . 1 1 79 79 LEU CG C 13 25.710 0.130 . 1 . . . . . . . . 6133 1 942 . 1 1 79 79 LEU CD1 C 13 27.740 0.130 . 1 . . . . . . . . 6133 1 943 . 1 1 79 79 LEU HD11 H 1 1.100 0.030 . 1 . . . . . . . . 6133 1 944 . 1 1 79 79 LEU HD12 H 1 1.100 0.030 . 1 . . . . . . . . 6133 1 945 . 1 1 79 79 LEU HD13 H 1 1.100 0.030 . 1 . . . . . . . . 6133 1 946 . 1 1 79 79 LEU CD2 C 13 22.270 0.130 . 1 . . . . . . . . 6133 1 947 . 1 1 79 79 LEU HD21 H 1 0.930 0.030 . 1 . . . . . . . . 6133 1 948 . 1 1 79 79 LEU HD22 H 1 0.930 0.030 . 1 . . . . . . . . 6133 1 949 . 1 1 79 79 LEU HD23 H 1 0.930 0.030 . 1 . . . . . . . . 6133 1 950 . 1 1 79 79 LEU HG H 1 1.770 0.030 . 1 . . . . . . . . 6133 1 951 . 1 1 80 80 VAL H H 1 8.110 0.030 . 1 . . . . . . . . 6133 1 952 . 1 1 80 80 VAL N N 15 123.160 0.130 . 1 . . . . . . . . 6133 1 953 . 1 1 80 80 VAL CA C 13 68.420 0.130 . 1 . . . . . . . . 6133 1 954 . 1 1 80 80 VAL HA H 1 3.510 0.030 . 1 . . . . . . . . 6133 1 955 . 1 1 80 80 VAL C C 13 174.490 0.130 . 1 . . . . . . . . 6133 1 956 . 1 1 80 80 VAL CB C 13 29.620 0.130 . 1 . . . . . . . . 6133 1 957 . 1 1 80 80 VAL HB H 1 2.210 0.030 . 1 . . . . . . . . 6133 1 958 . 1 1 80 80 VAL CG1 C 13 23.050 0.130 . 1 . . . . . . . . 6133 1 959 . 1 1 80 80 VAL HG11 H 1 1.020 0.030 . 1 . . . . . . . . 6133 1 960 . 1 1 80 80 VAL HG12 H 1 1.020 0.030 . 1 . . . . . . . . 6133 1 961 . 1 1 80 80 VAL HG13 H 1 1.020 0.030 . 1 . . . . . . . . 6133 1 962 . 1 1 80 80 VAL CG2 C 13 21.410 0.130 . 1 . . . . . . . . 6133 1 963 . 1 1 80 80 VAL HG21 H 1 0.920 0.030 . 1 . . . . . . . . 6133 1 964 . 1 1 80 80 VAL HG22 H 1 0.920 0.030 . 1 . . . . . . . . 6133 1 965 . 1 1 80 80 VAL HG23 H 1 0.920 0.030 . 1 . . . . . . . . 6133 1 966 . 1 1 81 81 PRO CA C 13 65.760 0.130 . 1 . . . . . . . . 6133 1 967 . 1 1 81 81 PRO HA H 1 4.130 0.030 . 1 . . . . . . . . 6133 1 968 . 1 1 81 81 PRO C C 13 179.420 0.130 . 1 . . . . . . . . 6133 1 969 . 1 1 81 81 PRO CB C 13 29.930 0.130 . 1 . . . . . . . . 6133 1 970 . 1 1 81 81 PRO HB2 H 1 2.010 0.030 . 1 . . . . . . . . 6133 1 971 . 1 1 81 81 PRO HB3 H 1 1.050 0.030 . 1 . . . . . . . . 6133 1 972 . 1 1 81 81 PRO CG C 13 28.440 0.130 . 1 . . . . . . . . 6133 1 973 . 1 1 81 81 PRO HG2 H 1 2.240 0.030 . 2 . . . . . . . . 6133 1 974 . 1 1 81 81 PRO CD C 13 50.450 0.130 . 1 . . . . . . . . 6133 1 975 . 1 1 81 81 PRO HD2 H 1 3.820 0.030 . 1 . . . . . . . . 6133 1 976 . 1 1 81 81 PRO HD3 H 1 3.770 0.030 . 1 . . . . . . . . 6133 1 977 . 1 1 82 82 GLY H H 1 6.220 0.030 . 1 . . . . . . . . 6133 1 978 . 1 1 82 82 GLY N N 15 100.670 0.130 . 1 . . . . . . . . 6133 1 979 . 1 1 82 82 GLY CA C 13 46.860 0.130 . 1 . . . . . . . . 6133 1 980 . 1 1 82 82 GLY HA2 H 1 2.720 0.030 . 1 . . . . . . . . 6133 1 981 . 1 1 82 82 GLY HA3 H 1 1.950 0.030 . 1 . . . . . . . . 6133 1 982 . 1 1 82 82 GLY C C 13 174.490 0.130 . 1 . . . . . . . . 6133 1 983 . 1 1 83 83 LYS H H 1 7.700 0.030 . 1 . . . . . . . . 6133 1 984 . 1 1 83 83 LYS N N 15 124.260 0.130 . 1 . . . . . . . . 6133 1 985 . 1 1 83 83 LYS CA C 13 60.760 0.130 . 1 . . . . . . . . 6133 1 986 . 1 1 83 83 LYS HA H 1 3.920 0.030 . 1 . . . . . . . . 6133 1 987 . 1 1 83 83 LYS C C 13 178.000 0.130 . 1 . . . . . . . . 6133 1 988 . 1 1 83 83 LYS CB C 13 32.760 0.130 . 1 . . . . . . . . 6133 1 989 . 1 1 83 83 LYS HB2 H 1 2.140 0.030 . 1 . . . . . . . . 6133 1 990 . 1 1 83 83 LYS HB3 H 1 1.680 0.030 . 1 . . . . . . . . 6133 1 991 . 1 1 83 83 LYS CG C 13 24.690 0.130 . 1 . . . . . . . . 6133 1 992 . 1 1 83 83 LYS HG2 H 1 1.550 0.030 . 1 . . . . . . . . 6133 1 993 . 1 1 83 83 LYS HG3 H 1 1.420 0.030 . 1 . . . . . . . . 6133 1 994 . 1 1 83 83 LYS CD C 13 30.010 0.130 . 1 . . . . . . . . 6133 1 995 . 1 1 83 83 LYS HD2 H 1 1.700 0.030 . 1 . . . . . . . . 6133 1 996 . 1 1 83 83 LYS HD3 H 1 1.620 0.030 . 1 . . . . . . . . 6133 1 997 . 1 1 83 83 LYS CE C 13 41.700 0.130 . 1 . . . . . . . . 6133 1 998 . 1 1 83 83 LYS HE2 H 1 2.930 0.030 . 1 . . . . . . . . 6133 1 999 . 1 1 84 84 GLN H H 1 8.400 0.030 . 1 . . . . . . . . 6133 1 1000 . 1 1 84 84 GLN N N 15 117.250 0.130 . 1 . . . . . . . . 6133 1 1001 . 1 1 84 84 GLN CA C 13 58.890 0.130 . 1 . . . . . . . . 6133 1 1002 . 1 1 84 84 GLN HA H 1 4.100 0.030 . 1 . . . . . . . . 6133 1 1003 . 1 1 84 84 GLN C C 13 179.420 0.130 . 1 . . . . . . . . 6133 1 1004 . 1 1 84 84 GLN CB C 13 28.070 0.130 . 1 . . . . . . . . 6133 1 1005 . 1 1 84 84 GLN HB2 H 1 2.090 0.030 . 1 . . . . . . . . 6133 1 1006 . 1 1 84 84 GLN HB3 H 1 2.030 0.030 . 1 . . . . . . . . 6133 1 1007 . 1 1 84 84 GLN CG C 13 34.200 0.130 . 1 . . . . . . . . 6133 1 1008 . 1 1 84 84 GLN HG2 H 1 2.490 0.030 . 1 . . . . . . . . 6133 1 1009 . 1 1 84 84 GLN HG3 H 1 2.350 0.030 . 1 . . . . . . . . 6133 1 1010 . 1 1 84 84 GLN NE2 N 15 111.430 0.130 . 1 . . . . . . . . 6133 1 1011 . 1 1 84 84 GLN HE21 H 1 7.360 0.030 . 1 . . . . . . . . 6133 1 1012 . 1 1 84 84 GLN HE22 H 1 6.790 0.030 . 1 . . . . . . . . 6133 1 1013 . 1 1 85 85 LEU H H 1 8.030 0.030 . 1 . . . . . . . . 6133 1 1014 . 1 1 85 85 LEU N N 15 120.240 0.130 . 1 . . . . . . . . 6133 1 1015 . 1 1 85 85 LEU CA C 13 58.420 0.130 . 1 . . . . . . . . 6133 1 1016 . 1 1 85 85 LEU HA H 1 4.210 0.030 . 1 . . . . . . . . 6133 1 1017 . 1 1 85 85 LEU C C 13 179.750 0.130 . 1 . . . . . . . . 6133 1 1018 . 1 1 85 85 LEU CB C 13 43.420 0.130 . 1 . . . . . . . . 6133 1 1019 . 1 1 85 85 LEU HB2 H 1 1.990 0.030 . 1 . . . . . . . . 6133 1 1020 . 1 1 85 85 LEU HB3 H 1 1.390 0.030 . 1 . . . . . . . . 6133 1 1021 . 1 1 85 85 LEU CG C 13 26.880 0.130 . 1 . . . . . . . . 6133 1 1022 . 1 1 85 85 LEU CD1 C 13 25.160 0.130 . 1 . . . . . . . . 6133 1 1023 . 1 1 85 85 LEU HD11 H 1 0.480 0.030 . 1 . . . . . . . . 6133 1 1024 . 1 1 85 85 LEU HD12 H 1 0.480 0.030 . 1 . . . . . . . . 6133 1 1025 . 1 1 85 85 LEU HD13 H 1 0.480 0.030 . 1 . . . . . . . . 6133 1 1026 . 1 1 85 85 LEU CD2 C 13 23.760 0.130 . 1 . . . . . . . . 6133 1 1027 . 1 1 85 85 LEU HD21 H 1 0.980 0.030 . 1 . . . . . . . . 6133 1 1028 . 1 1 85 85 LEU HD22 H 1 0.980 0.030 . 1 . . . . . . . . 6133 1 1029 . 1 1 85 85 LEU HD23 H 1 0.980 0.030 . 1 . . . . . . . . 6133 1 1030 . 1 1 85 85 LEU HG H 1 1.810 0.030 . 1 . . . . . . . . 6133 1 1031 . 1 1 86 86 CYS H H 1 7.920 0.030 . 1 . . . . . . . . 6133 1 1032 . 1 1 86 86 CYS N N 15 115.060 0.130 . 1 . . . . . . . . 6133 1 1033 . 1 1 86 86 CYS CA C 13 64.510 0.130 . 1 . . . . . . . . 6133 1 1034 . 1 1 86 86 CYS HA H 1 4.180 0.030 . 1 . . . . . . . . 6133 1 1035 . 1 1 86 86 CYS C C 13 176.240 0.130 . 1 . . . . . . . . 6133 1 1036 . 1 1 86 86 CYS CB C 13 26.970 0.130 . 1 . . . . . . . . 6133 1 1037 . 1 1 86 86 CYS HB2 H 1 3.260 0.030 . 1 . . . . . . . . 6133 1 1038 . 1 1 86 86 CYS HB3 H 1 2.810 0.030 . 1 . . . . . . . . 6133 1 1039 . 1 1 87 87 GLU H H 1 8.490 0.030 . 1 . . . . . . . . 6133 1 1040 . 1 1 87 87 GLU N N 15 121.340 0.130 . 1 . . . . . . . . 6133 1 1041 . 1 1 87 87 GLU CA C 13 59.410 0.130 . 1 . . . . . . . . 6133 1 1042 . 1 1 87 87 GLU HA H 1 4.170 0.030 . 1 . . . . . . . . 6133 1 1043 . 1 1 87 87 GLU C C 13 179.530 0.130 . 1 . . . . . . . . 6133 1 1044 . 1 1 87 87 GLU CB C 13 29.620 0.130 . 1 . . . . . . . . 6133 1 1045 . 1 1 87 87 GLU HB2 H 1 2.270 0.030 . 1 . . . . . . . . 6133 1 1046 . 1 1 87 87 GLU HB3 H 1 2.100 0.030 . 1 . . . . . . . . 6133 1 1047 . 1 1 87 87 GLU CG C 13 37.010 0.130 . 1 . . . . . . . . 6133 1 1048 . 1 1 87 87 GLU HG2 H 1 2.400 0.030 . 1 . . . . . . . . 6133 1 1049 . 1 1 87 87 GLU HG3 H 1 2.250 0.030 . 1 . . . . . . . . 6133 1 1050 . 1 1 88 88 THR H H 1 8.030 0.030 . 1 . . . . . . . . 6133 1 1051 . 1 1 88 88 THR N N 15 117.830 0.130 . 1 . . . . . . . . 6133 1 1052 . 1 1 88 88 THR CA C 13 66.860 0.130 . 1 . . . . . . . . 6133 1 1053 . 1 1 88 88 THR HA H 1 3.890 0.030 . 1 . . . . . . . . 6133 1 1054 . 1 1 88 88 THR C C 13 175.910 0.130 . 1 . . . . . . . . 6133 1 1055 . 1 1 88 88 THR CB C 13 68.110 0.130 . 1 . . . . . . . . 6133 1 1056 . 1 1 88 88 THR HB H 1 3.900 0.030 . 1 . . . . . . . . 6133 1 1057 . 1 1 88 88 THR CG2 C 13 21.490 0.130 . 1 . . . . . . . . 6133 1 1058 . 1 1 88 88 THR HG21 H 1 0.650 0.030 . 1 . . . . . . . . 6133 1 1059 . 1 1 88 88 THR HG22 H 1 0.650 0.030 . 1 . . . . . . . . 6133 1 1060 . 1 1 88 88 THR HG23 H 1 0.650 0.030 . 1 . . . . . . . . 6133 1 1061 . 1 1 89 89 LEU H H 1 8.280 0.030 . 1 . . . . . . . . 6133 1 1062 . 1 1 89 89 LEU N N 15 122.430 0.130 . 1 . . . . . . . . 6133 1 1063 . 1 1 89 89 LEU CA C 13 58.420 0.130 . 1 . . . . . . . . 6133 1 1064 . 1 1 89 89 LEU HA H 1 3.840 0.030 . 1 . . . . . . . . 6133 1 1065 . 1 1 89 89 LEU C C 13 177.450 0.130 . 1 . . . . . . . . 6133 1 1066 . 1 1 89 89 LEU CB C 13 41.080 0.130 . 1 . . . . . . . . 6133 1 1067 . 1 1 89 89 LEU HB2 H 1 2.300 0.030 . 1 . . . . . . . . 6133 1 1068 . 1 1 89 89 LEU HB3 H 1 1.520 0.030 . 1 . . . . . . . . 6133 1 1069 . 1 1 89 89 LEU CG C 13 26.970 0.130 . 1 . . . . . . . . 6133 1 1070 . 1 1 89 89 LEU CD1 C 13 27.190 0.130 . 1 . . . . . . . . 6133 1 1071 . 1 1 89 89 LEU HD11 H 1 0.890 0.030 . 1 . . . . . . . . 6133 1 1072 . 1 1 89 89 LEU HD12 H 1 0.890 0.030 . 1 . . . . . . . . 6133 1 1073 . 1 1 89 89 LEU HD13 H 1 0.890 0.030 . 1 . . . . . . . . 6133 1 1074 . 1 1 89 89 LEU CD2 C 13 25.010 0.130 . 1 . . . . . . . . 6133 1 1075 . 1 1 89 89 LEU HD21 H 1 1.100 0.030 . 1 . . . . . . . . 6133 1 1076 . 1 1 89 89 LEU HD22 H 1 1.100 0.030 . 1 . . . . . . . . 6133 1 1077 . 1 1 89 89 LEU HD23 H 1 1.100 0.030 . 1 . . . . . . . . 6133 1 1078 . 1 1 89 89 LEU HG H 1 1.610 0.030 . 1 . . . . . . . . 6133 1 1079 . 1 1 90 90 GLU H H 1 8.560 0.030 . 1 . . . . . . . . 6133 1 1080 . 1 1 90 90 GLU N N 15 116.520 0.130 . 1 . . . . . . . . 6133 1 1081 . 1 1 90 90 GLU CA C 13 61.230 0.130 . 1 . . . . . . . . 6133 1 1082 . 1 1 90 90 GLU HA H 1 3.790 0.030 . 1 . . . . . . . . 6133 1 1083 . 1 1 90 90 GLU C C 13 179.420 0.130 . 1 . . . . . . . . 6133 1 1084 . 1 1 90 90 GLU CB C 13 30.550 0.130 . 1 . . . . . . . . 6133 1 1085 . 1 1 90 90 GLU HB2 H 1 2.490 0.030 . 1 . . . . . . . . 6133 1 1086 . 1 1 90 90 GLU HB3 H 1 1.890 0.030 . 1 . . . . . . . . 6133 1 1087 . 1 1 90 90 GLU CG C 13 38.260 0.130 . 1 . . . . . . . . 6133 1 1088 . 1 1 90 90 GLU HG2 H 1 2.840 0.030 . 1 . . . . . . . . 6133 1 1089 . 1 1 90 90 GLU HG3 H 1 2.040 0.030 . 1 . . . . . . . . 6133 1 1090 . 1 1 91 91 HIS H H 1 7.380 0.030 . 1 . . . . . . . . 6133 1 1091 . 1 1 91 91 HIS N N 15 119.150 0.130 . 1 . . . . . . . . 6133 1 1092 . 1 1 91 91 HIS CA C 13 59.510 0.130 . 1 . . . . . . . . 6133 1 1093 . 1 1 91 91 HIS HA H 1 4.340 0.030 . 1 . . . . . . . . 6133 1 1094 . 1 1 91 91 HIS C C 13 176.570 0.130 . 1 . . . . . . . . 6133 1 1095 . 1 1 91 91 HIS CB C 13 29.790 0.130 . 1 . . . . . . . . 6133 1 1096 . 1 1 91 91 HIS HB2 H 1 3.420 0.030 . 1 . . . . . . . . 6133 1 1097 . 1 1 91 91 HIS HB3 H 1 3.270 0.030 . 1 . . . . . . . . 6133 1 1098 . 1 1 91 91 HIS CD2 C 13 119.200 0.130 . 1 . . . . . . . . 6133 1 1099 . 1 1 91 91 HIS HD2 H 1 6.930 0.030 . 1 . . . . . . . . 6133 1 1100 . 1 1 91 91 HIS CE1 C 13 138.380 0.130 . 1 . . . . . . . . 6133 1 1101 . 1 1 91 91 HIS HE1 H 1 7.860 0.030 . 1 . . . . . . . . 6133 1 1102 . 1 1 92 92 LEU H H 1 8.030 0.030 . 1 . . . . . . . . 6133 1 1103 . 1 1 92 92 LEU N N 15 120.240 0.130 . 1 . . . . . . . . 6133 1 1104 . 1 1 92 92 LEU CA C 13 57.800 0.130 . 1 . . . . . . . . 6133 1 1105 . 1 1 92 92 LEU HA H 1 3.880 0.030 . 1 . . . . . . . . 6133 1 1106 . 1 1 92 92 LEU C C 13 179.310 0.130 . 1 . . . . . . . . 6133 1 1107 . 1 1 92 92 LEU CB C 13 41.700 0.130 . 1 . . . . . . . . 6133 1 1108 . 1 1 92 92 LEU HB2 H 1 1.850 0.030 . 1 . . . . . . . . 6133 1 1109 . 1 1 92 92 LEU HB3 H 1 1.440 0.030 . 1 . . . . . . . . 6133 1 1110 . 1 1 92 92 LEU CG C 13 26.180 0.130 . 1 . . . . . . . . 6133 1 1111 . 1 1 92 92 LEU CD1 C 13 27.510 0.130 . 1 . . . . . . . . 6133 1 1112 . 1 1 92 92 LEU HD11 H 1 0.420 0.030 . 1 . . . . . . . . 6133 1 1113 . 1 1 92 92 LEU HD12 H 1 0.420 0.030 . 1 . . . . . . . . 6133 1 1114 . 1 1 92 92 LEU HD13 H 1 0.420 0.030 . 1 . . . . . . . . 6133 1 1115 . 1 1 92 92 LEU CD2 C 13 22.510 0.130 . 1 . . . . . . . . 6133 1 1116 . 1 1 92 92 LEU HD21 H 1 0.890 0.030 . 1 . . . . . . . . 6133 1 1117 . 1 1 92 92 LEU HD22 H 1 0.890 0.030 . 1 . . . . . . . . 6133 1 1118 . 1 1 92 92 LEU HD23 H 1 0.890 0.030 . 1 . . . . . . . . 6133 1 1119 . 1 1 92 92 LEU HG H 1 1.700 0.030 . 1 . . . . . . . . 6133 1 1120 . 1 1 93 93 ILE H H 1 8.600 0.030 . 1 . . . . . . . . 6133 1 1121 . 1 1 93 93 ILE N N 15 119.080 0.130 . 1 . . . . . . . . 6133 1 1122 . 1 1 93 93 ILE CA C 13 65.610 0.130 . 1 . . . . . . . . 6133 1 1123 . 1 1 93 93 ILE HA H 1 3.670 0.030 . 1 . . . . . . . . 6133 1 1124 . 1 1 93 93 ILE C C 13 179.530 0.130 . 1 . . . . . . . . 6133 1 1125 . 1 1 93 93 ILE CB C 13 38.110 0.130 . 1 . . . . . . . . 6133 1 1126 . 1 1 93 93 ILE HB H 1 1.910 0.030 . 1 . . . . . . . . 6133 1 1127 . 1 1 93 93 ILE CG2 C 13 18.910 0.130 . 1 . . . . . . . . 6133 1 1128 . 1 1 93 93 ILE HG21 H 1 1.040 0.030 . 1 . . . . . . . . 6133 1 1129 . 1 1 93 93 ILE HG22 H 1 1.040 0.030 . 1 . . . . . . . . 6133 1 1130 . 1 1 93 93 ILE HG23 H 1 1.040 0.030 . 1 . . . . . . . . 6133 1 1131 . 1 1 93 93 ILE CG1 C 13 29.460 0.130 . 1 . . . . . . . . 6133 1 1132 . 1 1 93 93 ILE HG12 H 1 2.010 0.030 . 1 . . . . . . . . 6133 1 1133 . 1 1 93 93 ILE CD1 C 13 16.570 0.130 . 1 . . . . . . . . 6133 1 1134 . 1 1 93 93 ILE HD11 H 1 0.690 0.030 . 1 . . . . . . . . 6133 1 1135 . 1 1 93 93 ILE HD12 H 1 0.690 0.030 . 1 . . . . . . . . 6133 1 1136 . 1 1 93 93 ILE HD13 H 1 0.690 0.030 . 1 . . . . . . . . 6133 1 1137 . 1 1 94 94 ARG H H 1 7.580 0.030 . 1 . . . . . . . . 6133 1 1138 . 1 1 94 94 ARG N N 15 122.360 0.130 . 1 . . . . . . . . 6133 1 1139 . 1 1 94 94 ARG CA C 13 59.830 0.130 . 1 . . . . . . . . 6133 1 1140 . 1 1 94 94 ARG HA H 1 3.950 0.030 . 1 . . . . . . . . 6133 1 1141 . 1 1 94 94 ARG C C 13 178.440 0.130 . 1 . . . . . . . . 6133 1 1142 . 1 1 94 94 ARG CB C 13 29.930 0.130 . 1 . . . . . . . . 6133 1 1143 . 1 1 94 94 ARG HB2 H 1 2.070 0.030 . 1 . . . . . . . . 6133 1 1144 . 1 1 94 94 ARG HB3 H 1 1.940 0.030 . 1 . . . . . . . . 6133 1 1145 . 1 1 94 94 ARG CG C 13 28.370 0.130 . 1 . . . . . . . . 6133 1 1146 . 1 1 94 94 ARG HG2 H 1 1.850 0.030 . 1 . . . . . . . . 6133 1 1147 . 1 1 94 94 ARG HG3 H 1 1.590 0.030 . 1 . . . . . . . . 6133 1 1148 . 1 1 94 94 ARG CD C 13 43.420 0.130 . 1 . . . . . . . . 6133 1 1149 . 1 1 94 94 ARG HD2 H 1 3.290 0.030 . 1 . . . . . . . . 6133 1 1150 . 1 1 94 94 ARG HD3 H 1 3.220 0.030 . 1 . . . . . . . . 6133 1 1151 . 1 1 95 95 GLU H H 1 7.590 0.030 . 1 . . . . . . . . 6133 1 1152 . 1 1 95 95 GLU N N 15 114.840 0.130 . 1 . . . . . . . . 6133 1 1153 . 1 1 95 95 GLU CA C 13 55.760 0.130 . 1 . . . . . . . . 6133 1 1154 . 1 1 95 95 GLU HA H 1 4.020 0.030 . 1 . . . . . . . . 6133 1 1155 . 1 1 95 95 GLU C C 13 174.930 0.130 . 1 . . . . . . . . 6133 1 1156 . 1 1 95 95 GLU CB C 13 29.850 0.130 . 1 . . . . . . . . 6133 1 1157 . 1 1 95 95 GLU HB2 H 1 2.210 0.030 . 1 . . . . . . . . 6133 1 1158 . 1 1 95 95 GLU HB3 H 1 1.730 0.030 . 1 . . . . . . . . 6133 1 1159 . 1 1 95 95 GLU CG C 13 35.920 0.130 . 1 . . . . . . . . 6133 1 1160 . 1 1 95 95 GLU HG2 H 1 2.080 0.030 . 1 . . . . . . . . 6133 1 1161 . 1 1 95 95 GLU HG3 H 1 2.030 0.030 . 1 . . . . . . . . 6133 1 1162 . 1 1 96 96 LYS H H 1 7.740 0.030 . 1 . . . . . . . . 6133 1 1163 . 1 1 96 96 LYS N N 15 118.270 0.130 . 1 . . . . . . . . 6133 1 1164 . 1 1 96 96 LYS CA C 13 57.170 0.130 . 1 . . . . . . . . 6133 1 1165 . 1 1 96 96 LYS HA H 1 3.050 0.030 . 1 . . . . . . . . 6133 1 1166 . 1 1 96 96 LYS C C 13 174.490 0.130 . 1 . . . . . . . . 6133 1 1167 . 1 1 96 96 LYS CB C 13 29.300 0.130 . 1 . . . . . . . . 6133 1 1168 . 1 1 96 96 LYS HB2 H 1 1.810 0.030 . 1 . . . . . . . . 6133 1 1169 . 1 1 96 96 LYS CG C 13 24.620 0.130 . 1 . . . . . . . . 6133 1 1170 . 1 1 96 96 LYS HG2 H 1 0.930 0.030 . 1 . . . . . . . . 6133 1 1171 . 1 1 96 96 LYS HG3 H 1 0.120 0.030 . 1 . . . . . . . . 6133 1 1172 . 1 1 96 96 LYS CD C 13 29.380 0.130 . 1 . . . . . . . . 6133 1 1173 . 1 1 96 96 LYS HD2 H 1 1.340 0.030 . 2 . . . . . . . . 6133 1 1174 . 1 1 96 96 LYS CE C 13 42.170 0.130 . 1 . . . . . . . . 6133 1 1175 . 1 1 96 96 LYS HE2 H 1 2.820 0.030 . 1 . . . . . . . . 6133 1 1176 . 1 1 96 96 LYS HE3 H 1 2.740 0.030 . 1 . . . . . . . . 6133 1 1177 . 1 1 97 97 ASP H H 1 7.690 0.030 . 1 . . . . . . . . 6133 1 1178 . 1 1 97 97 ASP N N 15 117.980 0.130 . 1 . . . . . . . . 6133 1 1179 . 1 1 97 97 ASP CA C 13 52.010 0.130 . 1 . . . . . . . . 6133 1 1180 . 1 1 97 97 ASP HA H 1 4.690 0.030 . 1 . . . . . . . . 6133 1 1181 . 1 1 97 97 ASP C C 13 175.150 0.130 . 1 . . . . . . . . 6133 1 1182 . 1 1 97 97 ASP CB C 13 40.140 0.130 . 1 . . . . . . . . 6133 1 1183 . 1 1 97 97 ASP HB2 H 1 2.950 0.030 . 1 . . . . . . . . 6133 1 1184 . 1 1 97 97 ASP HB3 H 1 2.370 0.030 . 1 . . . . . . . . 6133 1 1185 . 1 1 98 98 VAL H H 1 8.350 0.030 . 1 . . . . . . . . 6133 1 1186 . 1 1 98 98 VAL N N 15 124.770 0.130 . 1 . . . . . . . . 6133 1 1187 . 1 1 98 98 VAL CA C 13 69.360 0.130 . 1 . . . . . . . . 6133 1 1188 . 1 1 98 98 VAL HA H 1 3.770 0.030 . 1 . . . . . . . . 6133 1 1189 . 1 1 98 98 VAL C C 13 174.710 0.130 . 1 . . . . . . . . 6133 1 1190 . 1 1 98 98 VAL CB C 13 29.540 0.130 . 1 . . . . . . . . 6133 1 1191 . 1 1 98 98 VAL HB H 1 2.400 0.030 . 1 . . . . . . . . 6133 1 1192 . 1 1 98 98 VAL CG1 C 13 23.520 0.130 . 1 . . . . . . . . 6133 1 1193 . 1 1 98 98 VAL HG11 H 1 1.250 0.030 . 1 . . . . . . . . 6133 1 1194 . 1 1 98 98 VAL HG12 H 1 1.250 0.030 . 1 . . . . . . . . 6133 1 1195 . 1 1 98 98 VAL HG13 H 1 1.250 0.030 . 1 . . . . . . . . 6133 1 1196 . 1 1 98 98 VAL CG2 C 13 21.180 0.130 . 1 . . . . . . . . 6133 1 1197 . 1 1 98 98 VAL HG21 H 1 1.050 0.030 . 1 . . . . . . . . 6133 1 1198 . 1 1 98 98 VAL HG22 H 1 1.050 0.030 . 1 . . . . . . . . 6133 1 1199 . 1 1 98 98 VAL HG23 H 1 1.050 0.030 . 1 . . . . . . . . 6133 1 1200 . 1 1 99 99 PRO CA C 13 65.610 0.130 . 1 . . . . . . . . 6133 1 1201 . 1 1 99 99 PRO HA H 1 4.480 0.030 . 1 . . . . . . . . 6133 1 1202 . 1 1 99 99 PRO C C 13 180.630 0.130 . 1 . . . . . . . . 6133 1 1203 . 1 1 99 99 PRO CB C 13 30.790 0.130 . 1 . . . . . . . . 6133 1 1204 . 1 1 99 99 PRO HB2 H 1 2.380 0.030 . 1 . . . . . . . . 6133 1 1205 . 1 1 99 99 PRO HB3 H 1 1.920 0.030 . 1 . . . . . . . . 6133 1 1206 . 1 1 99 99 PRO CG C 13 28.440 0.130 . 1 . . . . . . . . 6133 1 1207 . 1 1 99 99 PRO HG2 H 1 2.230 0.030 . 1 . . . . . . . . 6133 1 1208 . 1 1 99 99 PRO HG3 H 1 2.030 0.030 . 1 . . . . . . . . 6133 1 1209 . 1 1 99 99 PRO CD C 13 49.200 0.130 . 1 . . . . . . . . 6133 1 1210 . 1 1 99 99 PRO HD2 H 1 4.190 0.030 . 1 . . . . . . . . 6133 1 1211 . 1 1 99 99 PRO HD3 H 1 3.800 0.030 . 1 . . . . . . . . 6133 1 1212 . 1 1 100 100 GLY H H 1 7.980 0.030 . 1 . . . . . . . . 6133 1 1213 . 1 1 100 100 GLY N N 15 108.130 0.130 . 1 . . . . . . . . 6133 1 1214 . 1 1 100 100 GLY CA C 13 47.950 0.130 . 1 . . . . . . . . 6133 1 1215 . 1 1 100 100 GLY HA2 H 1 4.020 0.030 . 1 . . . . . . . . 6133 1 1216 . 1 1 100 100 GLY HA3 H 1 3.670 0.030 . 1 . . . . . . . . 6133 1 1217 . 1 1 100 100 GLY C C 13 175.150 0.130 . 1 . . . . . . . . 6133 1 1218 . 1 1 101 101 ILE H H 1 8.990 0.030 . 1 . . . . . . . . 6133 1 1219 . 1 1 101 101 ILE N N 15 124.400 0.130 . 1 . . . . . . . . 6133 1 1220 . 1 1 101 101 ILE CA C 13 65.760 0.130 . 1 . . . . . . . . 6133 1 1221 . 1 1 101 101 ILE HA H 1 3.460 0.030 . 1 . . . . . . . . 6133 1 1222 . 1 1 101 101 ILE C C 13 177.340 0.130 . 1 . . . . . . . . 6133 1 1223 . 1 1 101 101 ILE CB C 13 38.730 0.130 . 1 . . . . . . . . 6133 1 1224 . 1 1 101 101 ILE HB H 1 2.180 0.030 . 1 . . . . . . . . 6133 1 1225 . 1 1 101 101 ILE CG2 C 13 17.660 0.130 . 1 . . . . . . . . 6133 1 1226 . 1 1 101 101 ILE HG21 H 1 0.870 0.030 . 1 . . . . . . . . 6133 1 1227 . 1 1 101 101 ILE HG22 H 1 0.870 0.030 . 1 . . . . . . . . 6133 1 1228 . 1 1 101 101 ILE HG23 H 1 0.870 0.030 . 1 . . . . . . . . 6133 1 1229 . 1 1 101 101 ILE CG1 C 13 29.540 0.130 . 1 . . . . . . . . 6133 1 1230 . 1 1 101 101 ILE HG12 H 1 1.890 0.030 . 1 . . . . . . . . 6133 1 1231 . 1 1 101 101 ILE CD1 C 13 15.630 0.130 . 1 . . . . . . . . 6133 1 1232 . 1 1 101 101 ILE HD11 H 1 0.860 0.030 . 1 . . . . . . . . 6133 1 1233 . 1 1 101 101 ILE HD12 H 1 0.860 0.030 . 1 . . . . . . . . 6133 1 1234 . 1 1 101 101 ILE HD13 H 1 0.860 0.030 . 1 . . . . . . . . 6133 1 1235 . 1 1 102 102 GLU H H 1 8.360 0.030 . 1 . . . . . . . . 6133 1 1236 . 1 1 102 102 GLU N N 15 117.030 0.130 . 1 . . . . . . . . 6133 1 1237 . 1 1 102 102 GLU CA C 13 60.140 0.130 . 1 . . . . . . . . 6133 1 1238 . 1 1 102 102 GLU HA H 1 3.760 0.030 . 1 . . . . . . . . 6133 1 1239 . 1 1 102 102 GLU C C 13 179.420 0.130 . 1 . . . . . . . . 6133 1 1240 . 1 1 102 102 GLU CB C 13 29.620 0.130 . 1 . . . . . . . . 6133 1 1241 . 1 1 102 102 GLU HB2 H 1 2.170 0.030 . 1 . . . . . . . . 6133 1 1242 . 1 1 102 102 GLU HB3 H 1 2.100 0.030 . 1 . . . . . . . . 6133 1 1243 . 1 1 102 102 GLU CG C 13 36.660 0.130 . 1 . . . . . . . . 6133 1 1244 . 1 1 102 102 GLU HG2 H 1 2.580 0.030 . 1 . . . . . . . . 6133 1 1245 . 1 1 102 102 GLU HG3 H 1 2.170 0.030 . 1 . . . . . . . . 6133 1 1246 . 1 1 103 103 LYS H H 1 7.860 0.030 . 1 . . . . . . . . 6133 1 1247 . 1 1 103 103 LYS N N 15 120.610 0.130 . 1 . . . . . . . . 6133 1 1248 . 1 1 103 103 LYS CA C 13 59.200 0.130 . 1 . . . . . . . . 6133 1 1249 . 1 1 103 103 LYS HA H 1 4.080 0.030 . 1 . . . . . . . . 6133 1 1250 . 1 1 103 103 LYS C C 13 178.660 0.130 . 1 . . . . . . . . 6133 1 1251 . 1 1 103 103 LYS CB C 13 32.290 0.130 . 1 . . . . . . . . 6133 1 1252 . 1 1 103 103 LYS HB2 H 1 2.150 0.030 . 1 . . . . . . . . 6133 1 1253 . 1 1 103 103 LYS HB3 H 1 2.030 0.030 . 1 . . . . . . . . 6133 1 1254 . 1 1 103 103 LYS CG C 13 24.620 0.130 . 1 . . . . . . . . 6133 1 1255 . 1 1 103 103 LYS HG2 H 1 1.370 0.030 . 1 . . . . . . . . 6133 1 1256 . 1 1 103 103 LYS HG3 H 1 1.170 0.030 . 1 . . . . . . . . 6133 1 1257 . 1 1 103 103 LYS CD C 13 28.840 0.130 . 1 . . . . . . . . 6133 1 1258 . 1 1 103 103 LYS HD2 H 1 1.620 0.030 . 1 . . . . . . . . 6133 1 1259 . 1 1 103 103 LYS HD3 H 1 1.470 0.030 . 1 . . . . . . . . 6133 1 1260 . 1 1 103 103 LYS CE C 13 42.330 0.130 . 1 . . . . . . . . 6133 1 1261 . 1 1 103 103 LYS HE2 H 1 2.940 0.030 . 1 . . . . . . . . 6133 1 1262 . 1 1 103 103 LYS HE3 H 1 2.780 0.030 . 1 . . . . . . . . 6133 1 1263 . 1 1 104 104 TYR H H 1 8.730 0.030 . 1 . . . . . . . . 6133 1 1264 . 1 1 104 104 TYR N N 15 118.130 0.130 . 1 . . . . . . . . 6133 1 1265 . 1 1 104 104 TYR CA C 13 64.050 0.130 . 1 . . . . . . . . 6133 1 1266 . 1 1 104 104 TYR HA H 1 3.960 0.030 . 1 . . . . . . . . 6133 1 1267 . 1 1 104 104 TYR C C 13 178.770 0.130 . 1 . . . . . . . . 6133 1 1268 . 1 1 104 104 TYR CB C 13 38.730 0.130 . 1 . . . . . . . . 6133 1 1269 . 1 1 104 104 TYR HB2 H 1 3.080 0.030 . 1 . . . . . . . . 6133 1 1270 . 1 1 104 104 TYR HB3 H 1 2.680 0.030 . 1 . . . . . . . . 6133 1 1271 . 1 1 104 104 TYR CD1 C 13 132.660 0.130 . 1 . . . . . . . . 6133 1 1272 . 1 1 104 104 TYR HD1 H 1 7.380 0.030 . 2 . . . . . . . . 6133 1 1273 . 1 1 104 104 TYR CD2 C 13 132.660 0.130 . 1 . . . . . . . . 6133 1 1274 . 1 1 104 104 TYR CE1 C 13 118.020 0.130 . 1 . . . . . . . . 6133 1 1275 . 1 1 104 104 TYR HE1 H 1 6.820 0.030 . 2 . . . . . . . . 6133 1 1276 . 1 1 104 104 TYR CE2 C 13 118.020 0.130 . 1 . . . . . . . . 6133 1 1277 . 1 1 105 105 ILE H H 1 8.860 0.030 . 1 . . . . . . . . 6133 1 1278 . 1 1 105 105 ILE N N 15 120.530 0.130 . 1 . . . . . . . . 6133 1 1279 . 1 1 105 105 ILE CA C 13 67.330 0.130 . 1 . . . . . . . . 6133 1 1280 . 1 1 105 105 ILE HA H 1 3.500 0.030 . 1 . . . . . . . . 6133 1 1281 . 1 1 105 105 ILE C C 13 177.340 0.130 . 1 . . . . . . . . 6133 1 1282 . 1 1 105 105 ILE CB C 13 37.480 0.130 . 1 . . . . . . . . 6133 1 1283 . 1 1 105 105 ILE HB H 1 1.540 0.030 . 1 . . . . . . . . 6133 1 1284 . 1 1 105 105 ILE CG2 C 13 15.950 0.130 . 1 . . . . . . . . 6133 1 1285 . 1 1 105 105 ILE HG21 H 1 0.040 0.030 . 1 . . . . . . . . 6133 1 1286 . 1 1 105 105 ILE HG22 H 1 0.040 0.030 . 1 . . . . . . . . 6133 1 1287 . 1 1 105 105 ILE HG23 H 1 0.040 0.030 . 1 . . . . . . . . 6133 1 1288 . 1 1 105 105 ILE CG1 C 13 29.150 0.130 . 1 . . . . . . . . 6133 1 1289 . 1 1 105 105 ILE HG12 H 1 2.050 0.030 . 1 . . . . . . . . 6133 1 1290 . 1 1 105 105 ILE HG13 H 1 0.750 0.030 . 1 . . . . . . . . 6133 1 1291 . 1 1 105 105 ILE CD1 C 13 15.870 0.130 . 1 . . . . . . . . 6133 1 1292 . 1 1 105 105 ILE HD11 H 1 0.560 0.030 . 1 . . . . . . . . 6133 1 1293 . 1 1 105 105 ILE HD12 H 1 0.560 0.030 . 1 . . . . . . . . 6133 1 1294 . 1 1 105 105 ILE HD13 H 1 0.560 0.030 . 1 . . . . . . . . 6133 1 1295 . 1 1 106 106 SER H H 1 7.390 0.030 . 1 . . . . . . . . 6133 1 1296 . 1 1 106 106 SER N N 15 114.040 0.130 . 1 . . . . . . . . 6133 1 1297 . 1 1 106 106 SER CA C 13 61.550 0.130 . 1 . . . . . . . . 6133 1 1298 . 1 1 106 106 SER HA H 1 4.500 0.030 . 1 . . . . . . . . 6133 1 1299 . 1 1 106 106 SER C C 13 177.560 0.130 . 1 . . . . . . . . 6133 1 1300 . 1 1 106 106 SER CB C 13 62.640 0.130 . 1 . . . . . . . . 6133 1 1301 . 1 1 106 106 SER HB2 H 1 4.150 0.030 . 2 . . . . . . . . 6133 1 1302 . 1 1 107 107 ASP H H 1 8.370 0.030 . 1 . . . . . . . . 6133 1 1303 . 1 1 107 107 ASP N N 15 122.940 0.130 . 1 . . . . . . . . 6133 1 1304 . 1 1 107 107 ASP CA C 13 57.480 0.130 . 1 . . . . . . . . 6133 1 1305 . 1 1 107 107 ASP HA H 1 4.490 0.030 . 1 . . . . . . . . 6133 1 1306 . 1 1 107 107 ASP C C 13 179.860 0.130 . 1 . . . . . . . . 6133 1 1307 . 1 1 107 107 ASP CB C 13 39.830 0.130 . 1 . . . . . . . . 6133 1 1308 . 1 1 107 107 ASP HB2 H 1 2.600 0.030 . 1 . . . . . . . . 6133 1 1309 . 1 1 107 107 ASP HB3 H 1 2.460 0.030 . 1 . . . . . . . . 6133 1 1310 . 1 1 108 108 ILE H H 1 8.800 0.030 . 1 . . . . . . . . 6133 1 1311 . 1 1 108 108 ILE N N 15 125.130 0.130 . 1 . . . . . . . . 6133 1 1312 . 1 1 108 108 ILE CA C 13 66.390 0.130 . 1 . . . . . . . . 6133 1 1313 . 1 1 108 108 ILE HA H 1 3.690 0.030 . 1 . . . . . . . . 6133 1 1314 . 1 1 108 108 ILE C C 13 176.790 0.130 . 1 . . . . . . . . 6133 1 1315 . 1 1 108 108 ILE CB C 13 38.110 0.130 . 1 . . . . . . . . 6133 1 1316 . 1 1 108 108 ILE HB H 1 2.070 0.030 . 1 . . . . . . . . 6133 1 1317 . 1 1 108 108 ILE CG2 C 13 17.740 0.130 . 1 . . . . . . . . 6133 1 1318 . 1 1 108 108 ILE HG21 H 1 1.040 0.030 . 1 . . . . . . . . 6133 1 1319 . 1 1 108 108 ILE HG22 H 1 1.040 0.030 . 1 . . . . . . . . 6133 1 1320 . 1 1 108 108 ILE HG23 H 1 1.040 0.030 . 1 . . . . . . . . 6133 1 1321 . 1 1 108 108 ILE CG1 C 13 31.260 0.130 . 1 . . . . . . . . 6133 1 1322 . 1 1 108 108 ILE HG12 H 1 2.040 0.030 . 1 . . . . . . . . 6133 1 1323 . 1 1 108 108 ILE CD1 C 13 15.870 0.130 . 1 . . . . . . . . 6133 1 1324 . 1 1 108 108 ILE HD11 H 1 0.910 0.030 . 1 . . . . . . . . 6133 1 1325 . 1 1 108 108 ILE HD12 H 1 0.910 0.030 . 1 . . . . . . . . 6133 1 1326 . 1 1 108 108 ILE HD13 H 1 0.910 0.030 . 1 . . . . . . . . 6133 1 1327 . 1 1 109 109 ASP H H 1 8.680 0.030 . 1 . . . . . . . . 6133 1 1328 . 1 1 109 109 ASP N N 15 120.680 0.130 . 1 . . . . . . . . 6133 1 1329 . 1 1 109 109 ASP CA C 13 57.480 0.130 . 1 . . . . . . . . 6133 1 1330 . 1 1 109 109 ASP HA H 1 4.440 0.030 . 1 . . . . . . . . 6133 1 1331 . 1 1 109 109 ASP C C 13 177.670 0.130 . 1 . . . . . . . . 6133 1 1332 . 1 1 109 109 ASP CB C 13 41.700 0.130 . 1 . . . . . . . . 6133 1 1333 . 1 1 109 109 ASP HB2 H 1 3.370 0.030 . 1 . . . . . . . . 6133 1 1334 . 1 1 109 109 ASP HB3 H 1 2.900 0.030 . 1 . . . . . . . . 6133 1 1335 . 1 1 110 110 SER H H 1 8.570 0.030 . 1 . . . . . . . . 6133 1 1336 . 1 1 110 110 SER N N 15 113.020 0.130 . 1 . . . . . . . . 6133 1 1337 . 1 1 110 110 SER CA C 13 62.170 0.130 . 1 . . . . . . . . 6133 1 1338 . 1 1 110 110 SER HA H 1 4.130 0.030 . 1 . . . . . . . . 6133 1 1339 . 1 1 110 110 SER C C 13 176.900 0.130 . 1 . . . . . . . . 6133 1 1340 . 1 1 110 110 SER CB C 13 62.800 0.130 . 1 . . . . . . . . 6133 1 1341 . 1 1 110 110 SER HB2 H 1 4.120 0.030 . 1 . . . . . . . . 6133 1 1342 . 1 1 110 110 SER HB3 H 1 4.020 0.030 . 1 . . . . . . . . 6133 1 1343 . 1 1 111 111 TYR H H 1 8.280 0.030 . 1 . . . . . . . . 6133 1 1344 . 1 1 111 111 TYR N N 15 123.670 0.130 . 1 . . . . . . . . 6133 1 1345 . 1 1 111 111 TYR CA C 13 60.920 0.130 . 1 . . . . . . . . 6133 1 1346 . 1 1 111 111 TYR HA H 1 4.360 0.030 . 1 . . . . . . . . 6133 1 1347 . 1 1 111 111 TYR C C 13 178.660 0.130 . 1 . . . . . . . . 6133 1 1348 . 1 1 111 111 TYR CB C 13 38.260 0.130 . 1 . . . . . . . . 6133 1 1349 . 1 1 111 111 TYR HB2 H 1 3.130 0.030 . 1 . . . . . . . . 6133 1 1350 . 1 1 111 111 TYR HB3 H 1 3.070 0.030 . 1 . . . . . . . . 6133 1 1351 . 1 1 111 111 TYR CD1 C 13 131.560 0.130 . 1 . . . . . . . . 6133 1 1352 . 1 1 111 111 TYR HD1 H 1 6.820 0.030 . 2 . . . . . . . . 6133 1 1353 . 1 1 111 111 TYR CD2 C 13 131.560 0.130 . 1 . . . . . . . . 6133 1 1354 . 1 1 111 111 TYR CE1 C 13 118.110 0.130 . 1 . . . . . . . . 6133 1 1355 . 1 1 111 111 TYR HE1 H 1 6.450 0.030 . 2 . . . . . . . . 6133 1 1356 . 1 1 111 111 TYR CE2 C 13 118.110 0.130 . 1 . . . . . . . . 6133 1 1357 . 1 1 112 112 VAL H H 1 9.110 0.030 . 1 . . . . . . . . 6133 1 1358 . 1 1 112 112 VAL N N 15 122.070 0.130 . 1 . . . . . . . . 6133 1 1359 . 1 1 112 112 VAL CA C 13 67.950 0.130 . 1 . . . . . . . . 6133 1 1360 . 1 1 112 112 VAL HA H 1 3.520 0.030 . 1 . . . . . . . . 6133 1 1361 . 1 1 112 112 VAL C C 13 178.220 0.130 . 1 . . . . . . . . 6133 1 1362 . 1 1 112 112 VAL CB C 13 31.410 0.130 . 1 . . . . . . . . 6133 1 1363 . 1 1 112 112 VAL HB H 1 2.620 0.030 . 1 . . . . . . . . 6133 1 1364 . 1 1 112 112 VAL CG1 C 13 25.320 0.130 . 1 . . . . . . . . 6133 1 1365 . 1 1 112 112 VAL HG11 H 1 1.390 0.030 . 1 . . . . . . . . 6133 1 1366 . 1 1 112 112 VAL HG12 H 1 1.390 0.030 . 1 . . . . . . . . 6133 1 1367 . 1 1 112 112 VAL HG13 H 1 1.390 0.030 . 1 . . . . . . . . 6133 1 1368 . 1 1 112 112 VAL CG2 C 13 21.260 0.130 . 1 . . . . . . . . 6133 1 1369 . 1 1 112 112 VAL HG21 H 1 0.990 0.030 . 1 . . . . . . . . 6133 1 1370 . 1 1 112 112 VAL HG22 H 1 0.990 0.030 . 1 . . . . . . . . 6133 1 1371 . 1 1 112 112 VAL HG23 H 1 0.990 0.030 . 1 . . . . . . . . 6133 1 1372 . 1 1 113 113 LYS H H 1 8.640 0.030 . 1 . . . . . . . . 6133 1 1373 . 1 1 113 113 LYS N N 15 117.320 0.130 . 1 . . . . . . . . 6133 1 1374 . 1 1 113 113 LYS CA C 13 60.140 0.130 . 1 . . . . . . . . 6133 1 1375 . 1 1 113 113 LYS HA H 1 4.000 0.030 . 1 . . . . . . . . 6133 1 1376 . 1 1 113 113 LYS C C 13 179.310 0.130 . 1 . . . . . . . . 6133 1 1377 . 1 1 113 113 LYS CB C 13 32.440 0.130 . 1 . . . . . . . . 6133 1 1378 . 1 1 113 113 LYS HB2 H 1 1.970 0.030 . 1 . . . . . . . . 6133 1 1379 . 1 1 113 113 LYS HB3 H 1 1.950 0.030 . 1 . . . . . . . . 6133 1 1380 . 1 1 113 113 LYS CG C 13 26.510 0.130 . 1 . . . . . . . . 6133 1 1381 . 1 1 113 113 LYS HG2 H 1 1.790 0.030 . 1 . . . . . . . . 6133 1 1382 . 1 1 113 113 LYS HG3 H 1 1.490 0.030 . 1 . . . . . . . . 6133 1 1383 . 1 1 113 113 LYS CD C 13 29.380 0.130 . 1 . . . . . . . . 6133 1 1384 . 1 1 113 113 LYS HD2 H 1 1.640 0.030 . 2 . . . . . . . . 6133 1 1385 . 1 1 113 113 LYS CE C 13 42.170 0.130 . 1 . . . . . . . . 6133 1 1386 . 1 1 113 113 LYS HE2 H 1 2.970 0.030 . 1 . . . . . . . . 6133 1 1387 . 1 1 114 114 SER H H 1 7.820 0.030 . 1 . . . . . . . . 6133 1 1388 . 1 1 114 114 SER N N 15 115.060 0.130 . 1 . . . . . . . . 6133 1 1389 . 1 1 114 114 SER CA C 13 60.610 0.130 . 1 . . . . . . . . 6133 1 1390 . 1 1 114 114 SER HA H 1 4.420 0.030 . 1 . . . . . . . . 6133 1 1391 . 1 1 114 114 SER C C 13 174.380 0.130 . 1 . . . . . . . . 6133 1 1392 . 1 1 114 114 SER CB C 13 63.110 0.130 . 1 . . . . . . . . 6133 1 1393 . 1 1 114 114 SER HB2 H 1 4.080 0.030 . 2 . . . . . . . . 6133 1 1394 . 1 1 115 115 LEU H H 1 7.540 0.030 . 1 . . . . . . . . 6133 1 1395 . 1 1 115 115 LEU N N 15 123.600 0.130 . 1 . . . . . . . . 6133 1 1396 . 1 1 115 115 LEU CA C 13 55.300 0.130 . 1 . . . . . . . . 6133 1 1397 . 1 1 115 115 LEU HA H 1 4.270 0.030 . 1 . . . . . . . . 6133 1 1398 . 1 1 115 115 LEU C C 13 176.350 0.130 . 1 . . . . . . . . 6133 1 1399 . 1 1 115 115 LEU CB C 13 43.580 0.130 . 1 . . . . . . . . 6133 1 1400 . 1 1 115 115 LEU HB2 H 1 1.860 0.030 . 1 . . . . . . . . 6133 1 1401 . 1 1 115 115 LEU HB3 H 1 1.200 0.030 . 1 . . . . . . . . 6133 1 1402 . 1 1 115 115 LEU CG C 13 26.180 0.130 . 1 . . . . . . . . 6133 1 1403 . 1 1 115 115 LEU CD1 C 13 26.880 0.130 . 1 . . . . . . . . 6133 1 1404 . 1 1 115 115 LEU HD11 H 1 0.470 0.030 . 1 . . . . . . . . 6133 1 1405 . 1 1 115 115 LEU HD12 H 1 0.470 0.030 . 1 . . . . . . . . 6133 1 1406 . 1 1 115 115 LEU HD13 H 1 0.470 0.030 . 1 . . . . . . . . 6133 1 1407 . 1 1 115 115 LEU CD2 C 13 22.980 0.130 . 1 . . . . . . . . 6133 1 1408 . 1 1 115 115 LEU HD21 H 1 0.570 0.030 . 1 . . . . . . . . 6133 1 1409 . 1 1 115 115 LEU HD22 H 1 0.570 0.030 . 1 . . . . . . . . 6133 1 1410 . 1 1 115 115 LEU HD23 H 1 0.570 0.030 . 1 . . . . . . . . 6133 1 1411 . 1 1 115 115 LEU HG H 1 1.350 0.030 . 1 . . . . . . . . 6133 1 1412 . 1 1 116 116 LEU H H 1 6.990 0.030 . 1 . . . . . . . . 6133 1 1413 . 1 1 116 116 LEU N N 15 122.870 0.130 . 1 . . . . . . . . 6133 1 1414 . 1 1 116 116 LEU CA C 13 57.330 0.130 . 1 . . . . . . . . 6133 1 1415 . 1 1 116 116 LEU HA H 1 4.290 0.030 . 1 . . . . . . . . 6133 1 1416 . 1 1 116 116 LEU C C 13 182.930 0.130 . 1 . . . . . . . . 6133 1 1417 . 1 1 116 116 LEU CB C 13 42.950 0.130 . 1 . . . . . . . . 6133 1 1418 . 1 1 116 116 LEU HB2 H 1 1.860 0.030 . 1 . . . . . . . . 6133 1 1419 . 1 1 116 116 LEU HB3 H 1 1.670 0.030 . 1 . . . . . . . . 6133 1 1420 . 1 1 116 116 LEU CG C 13 26.490 0.130 . 1 . . . . . . . . 6133 1 1421 . 1 1 116 116 LEU CD1 C 13 26.100 0.130 . 1 . . . . . . . . 6133 1 1422 . 1 1 116 116 LEU HD11 H 1 1.000 0.030 . 1 . . . . . . . . 6133 1 1423 . 1 1 116 116 LEU HD12 H 1 1.000 0.030 . 1 . . . . . . . . 6133 1 1424 . 1 1 116 116 LEU HD13 H 1 1.000 0.030 . 1 . . . . . . . . 6133 1 1425 . 1 1 116 116 LEU CD2 C 13 23.440 0.130 . 1 . . . . . . . . 6133 1 1426 . 1 1 116 116 LEU HD21 H 1 0.930 0.030 . 1 . . . . . . . . 6133 1 1427 . 1 1 116 116 LEU HD22 H 1 0.930 0.030 . 1 . . . . . . . . 6133 1 1428 . 1 1 116 116 LEU HD23 H 1 0.930 0.030 . 1 . . . . . . . . 6133 1 1429 . 1 1 116 116 LEU HG H 1 2.160 0.030 . 1 . . . . . . . . 6133 1 stop_ save_