data_5623 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5623 _Entry.Title ; Assignments of 1H, 15N and 13C resonances of the proline-rich matrix protein of Moloney Murine Leukemia Virus (MA Mo-MuLV) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-12-12 _Entry.Accession_date 2002-12-12 _Entry.Last_release_date 2003-03-18 _Entry.Original_release_date 2003-03-18 _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 Veronika Noskova . N. . 5623 2 Vladimir Rogov . V. . 5623 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5623 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 808 5623 '13C chemical shifts' 607 5623 '15N chemical shifts' 137 5623 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-03-18 2002-12-12 original author . 5623 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5623 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignments of 1H, 15N and 13C resonances of the proline-rich matrix protein of Moloney Murine Leukemia Virus (MA MoMuLV) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 3 _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 261 _Citation.Page_last 262 _Citation.Year 2003 _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 Veronika Noskova . N. . 5623 1 2 Vladimir Rogov . V. . 5623 1 3 Frank Lohr . . . 5623 1 4 Yanina Rozenberg . . . 5623 1 5 W. Anderson . French . 5623 1 6 Sergey Potekhin . A. . 5623 1 7 Heinz Ruterjans . . . 5623 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'proline-rich matrix protein' 5623 1 MoMuLV 5623 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MA_MoMuLV _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MA_MoMuLV _Assembly.Entry_ID 5623 _Assembly.ID 1 _Assembly.Name 'matrix protein from Moloney Murine Leukemia Virus matrix protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5623 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 'MA MoMuLV, monomer' 1 $MA_MoMuLV_monomer . . . native . . . . . 5623 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'matrix protein from Moloney Murine Leukemia Virus matrix protein' system 5623 1 'MA MoMuLV' abbreviation 5623 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'essential for virus assembly' 5623 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MA_MoMuLV_monomer _Entity.Sf_category entity _Entity.Sf_framecode MA_MoMuLV_monomer _Entity.Entry_ID 5623 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'matrix protein' _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 ; MGQTVTTPLSLTLGHWKDVE RIAHNQSVDVKKRRWVTFCS AEWPTFNVGWPRDGTFNRDL ITQVKIKVFSPGPHGHPDQV PYIVTWEALAFDPPPWVKPF VHPKPPPPLPPSAPSLPLEP PRSTPPRSSLY ; _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 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1MN8 . "Structure Of Moloney Murine Leukaemia Virus Matrix Protein" . . . . . 75.57 100 100.00 100.00 1.59e-65 . . . . 5623 1 2 no EMBL CAA24781 . "oncogene v-abl [Mus sp.]" . . . . . 100.00 918 99.24 99.24 4.53e-82 . . . . 5623 1 3 no GB AAB59942 . "gag polyprotein pr65 [Murine leukemia virus]" . . . . . 100.00 538 100.00 100.00 4.45e-86 . . . . 5623 1 4 no GB AAB64159 . "Gag [synthetic construct]" . . . . . 100.00 538 100.00 100.00 4.45e-86 . . . . 5623 1 5 no GB AAC82566 . "Pr65 [Moloney murine leukemia virus]" . . . . . 100.00 538 100.00 100.00 4.45e-86 . . . . 5623 1 6 no GB AAC82568 . "Pr180 [Moloney murine leukemia virus]" . . . . . 100.00 1737 100.00 100.00 4.56e-82 . . . . 5623 1 7 no GB AAC82569 . "p120 polyprotein [Abelson murine leukemia virus]" . . . . . 100.00 981 99.24 99.24 3.05e-83 . . . . 5623 1 8 no PRF 0711245A . "protein gag/pol/env" . . . . . 100.00 2514 100.00 100.00 1.15e-81 . . . . 5623 1 9 no REF NP_057866 . "p120 Gag-Abl polyprotein [Abelson murine leukemia virus]" . . . . . 100.00 981 99.24 99.24 3.05e-83 . . . . 5623 1 10 no REF NP_057933 . "Pr180 [Moloney murine leukemia virus]" . . . . . 100.00 1737 100.00 100.00 4.30e-82 . . . . 5623 1 11 no REF NP_057934 . "Pr65 [Moloney murine leukemia virus]" . . . . . 100.00 538 100.00 100.00 4.45e-86 . . . . 5623 1 12 no REF NP_955583 . "p15 MA [Moloney murine leukemia virus]" . . . . . 99.24 130 100.00 100.00 2.33e-86 . . . . 5623 1 13 no REF NP_955593 . "MA [Abelson murine leukemia virus]" . . . . . 99.24 130 99.23 99.23 2.55e-85 . . . . 5623 1 14 no SP P03332 . "RecName: Full=Gag polyprotein; Short=Pr65gag; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p15; Short" . . . . . 100.00 538 100.00 100.00 4.45e-86 . . . . 5623 1 15 no SP P03333 . "RecName: Full=Gag polyprotein; Contains: RecName: Full=Matrix protein p15; Short=MA; Contains: RecName: Full=RNA-binding phosph" . . . . . 100.00 235 99.24 99.24 5.79e-86 . . . . 5623 1 16 no SP P03355 . "RecName: Full=Gag-Pol polyprotein; Short=Pr180gag-pol; Contains: RecName: Full=Matrix protein p15; Short=MA; Contains: RecName:" . . . . . 100.00 1738 100.00 100.00 4.19e-82 . . . . 5623 1 17 no SP P32594 . "RecName: Full=Gag polyprotein; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p15; Short=MA; Contains: " . . . . . 100.00 468 96.95 97.71 4.76e-82 . . . . 5623 1 18 no SP Q8UN02 . "RecName: Full=Glycosylated Gag polyprotein; Short=Pr80gag; AltName: Full=Glyco-gag; AltName: Full=gp80gag; Contains: RecName: F" . . . . . 100.00 626 96.95 96.95 1.16e-81 . . . . 5623 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'matrix protein' common 5623 1 'MA MoMuLV' abbreviation 5623 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 . MET . 5623 1 2 . GLY . 5623 1 3 . GLN . 5623 1 4 . THR . 5623 1 5 . VAL . 5623 1 6 . THR . 5623 1 7 . THR . 5623 1 8 . PRO . 5623 1 9 . LEU . 5623 1 10 . SER . 5623 1 11 . LEU . 5623 1 12 . THR . 5623 1 13 . LEU . 5623 1 14 . GLY . 5623 1 15 . HIS . 5623 1 16 . TRP . 5623 1 17 . LYS . 5623 1 18 . ASP . 5623 1 19 . VAL . 5623 1 20 . GLU . 5623 1 21 . ARG . 5623 1 22 . ILE . 5623 1 23 . ALA . 5623 1 24 . HIS . 5623 1 25 . ASN . 5623 1 26 . GLN . 5623 1 27 . SER . 5623 1 28 . VAL . 5623 1 29 . ASP . 5623 1 30 . VAL . 5623 1 31 . LYS . 5623 1 32 . LYS . 5623 1 33 . ARG . 5623 1 34 . ARG . 5623 1 35 . TRP . 5623 1 36 . VAL . 5623 1 37 . THR . 5623 1 38 . PHE . 5623 1 39 . CYS . 5623 1 40 . SER . 5623 1 41 . ALA . 5623 1 42 . GLU . 5623 1 43 . TRP . 5623 1 44 . PRO . 5623 1 45 . THR . 5623 1 46 . PHE . 5623 1 47 . ASN . 5623 1 48 . VAL . 5623 1 49 . GLY . 5623 1 50 . TRP . 5623 1 51 . PRO . 5623 1 52 . ARG . 5623 1 53 . ASP . 5623 1 54 . GLY . 5623 1 55 . THR . 5623 1 56 . PHE . 5623 1 57 . ASN . 5623 1 58 . ARG . 5623 1 59 . ASP . 5623 1 60 . LEU . 5623 1 61 . ILE . 5623 1 62 . THR . 5623 1 63 . GLN . 5623 1 64 . VAL . 5623 1 65 . LYS . 5623 1 66 . ILE . 5623 1 67 . LYS . 5623 1 68 . VAL . 5623 1 69 . PHE . 5623 1 70 . SER . 5623 1 71 . PRO . 5623 1 72 . GLY . 5623 1 73 . PRO . 5623 1 74 . HIS . 5623 1 75 . GLY . 5623 1 76 . HIS . 5623 1 77 . PRO . 5623 1 78 . ASP . 5623 1 79 . GLN . 5623 1 80 . VAL . 5623 1 81 . PRO . 5623 1 82 . TYR . 5623 1 83 . ILE . 5623 1 84 . VAL . 5623 1 85 . THR . 5623 1 86 . TRP . 5623 1 87 . GLU . 5623 1 88 . ALA . 5623 1 89 . LEU . 5623 1 90 . ALA . 5623 1 91 . PHE . 5623 1 92 . ASP . 5623 1 93 . PRO . 5623 1 94 . PRO . 5623 1 95 . PRO . 5623 1 96 . TRP . 5623 1 97 . VAL . 5623 1 98 . LYS . 5623 1 99 . PRO . 5623 1 100 . PHE . 5623 1 101 . VAL . 5623 1 102 . HIS . 5623 1 103 . PRO . 5623 1 104 . LYS . 5623 1 105 . PRO . 5623 1 106 . PRO . 5623 1 107 . PRO . 5623 1 108 . PRO . 5623 1 109 . LEU . 5623 1 110 . PRO . 5623 1 111 . PRO . 5623 1 112 . SER . 5623 1 113 . ALA . 5623 1 114 . PRO . 5623 1 115 . SER . 5623 1 116 . LEU . 5623 1 117 . PRO . 5623 1 118 . LEU . 5623 1 119 . GLU . 5623 1 120 . PRO . 5623 1 121 . PRO . 5623 1 122 . ARG . 5623 1 123 . SER . 5623 1 124 . THR . 5623 1 125 . PRO . 5623 1 126 . PRO . 5623 1 127 . ARG . 5623 1 128 . SER . 5623 1 129 . SER . 5623 1 130 . LEU . 5623 1 131 . TYR . 5623 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 5623 1 . GLY 2 2 5623 1 . GLN 3 3 5623 1 . THR 4 4 5623 1 . VAL 5 5 5623 1 . THR 6 6 5623 1 . THR 7 7 5623 1 . PRO 8 8 5623 1 . LEU 9 9 5623 1 . SER 10 10 5623 1 . LEU 11 11 5623 1 . THR 12 12 5623 1 . LEU 13 13 5623 1 . GLY 14 14 5623 1 . HIS 15 15 5623 1 . TRP 16 16 5623 1 . LYS 17 17 5623 1 . ASP 18 18 5623 1 . VAL 19 19 5623 1 . GLU 20 20 5623 1 . ARG 21 21 5623 1 . ILE 22 22 5623 1 . ALA 23 23 5623 1 . HIS 24 24 5623 1 . ASN 25 25 5623 1 . GLN 26 26 5623 1 . SER 27 27 5623 1 . VAL 28 28 5623 1 . ASP 29 29 5623 1 . VAL 30 30 5623 1 . LYS 31 31 5623 1 . LYS 32 32 5623 1 . ARG 33 33 5623 1 . ARG 34 34 5623 1 . TRP 35 35 5623 1 . VAL 36 36 5623 1 . THR 37 37 5623 1 . PHE 38 38 5623 1 . CYS 39 39 5623 1 . SER 40 40 5623 1 . ALA 41 41 5623 1 . GLU 42 42 5623 1 . TRP 43 43 5623 1 . PRO 44 44 5623 1 . THR 45 45 5623 1 . PHE 46 46 5623 1 . ASN 47 47 5623 1 . VAL 48 48 5623 1 . GLY 49 49 5623 1 . TRP 50 50 5623 1 . PRO 51 51 5623 1 . ARG 52 52 5623 1 . ASP 53 53 5623 1 . GLY 54 54 5623 1 . THR 55 55 5623 1 . PHE 56 56 5623 1 . ASN 57 57 5623 1 . ARG 58 58 5623 1 . ASP 59 59 5623 1 . LEU 60 60 5623 1 . ILE 61 61 5623 1 . THR 62 62 5623 1 . GLN 63 63 5623 1 . VAL 64 64 5623 1 . LYS 65 65 5623 1 . ILE 66 66 5623 1 . LYS 67 67 5623 1 . VAL 68 68 5623 1 . PHE 69 69 5623 1 . SER 70 70 5623 1 . PRO 71 71 5623 1 . GLY 72 72 5623 1 . PRO 73 73 5623 1 . HIS 74 74 5623 1 . GLY 75 75 5623 1 . HIS 76 76 5623 1 . PRO 77 77 5623 1 . ASP 78 78 5623 1 . GLN 79 79 5623 1 . VAL 80 80 5623 1 . PRO 81 81 5623 1 . TYR 82 82 5623 1 . ILE 83 83 5623 1 . VAL 84 84 5623 1 . THR 85 85 5623 1 . TRP 86 86 5623 1 . GLU 87 87 5623 1 . ALA 88 88 5623 1 . LEU 89 89 5623 1 . ALA 90 90 5623 1 . PHE 91 91 5623 1 . ASP 92 92 5623 1 . PRO 93 93 5623 1 . PRO 94 94 5623 1 . PRO 95 95 5623 1 . TRP 96 96 5623 1 . VAL 97 97 5623 1 . LYS 98 98 5623 1 . PRO 99 99 5623 1 . PHE 100 100 5623 1 . VAL 101 101 5623 1 . HIS 102 102 5623 1 . PRO 103 103 5623 1 . LYS 104 104 5623 1 . PRO 105 105 5623 1 . PRO 106 106 5623 1 . PRO 107 107 5623 1 . PRO 108 108 5623 1 . LEU 109 109 5623 1 . PRO 110 110 5623 1 . PRO 111 111 5623 1 . SER 112 112 5623 1 . ALA 113 113 5623 1 . PRO 114 114 5623 1 . SER 115 115 5623 1 . LEU 116 116 5623 1 . PRO 117 117 5623 1 . LEU 118 118 5623 1 . GLU 119 119 5623 1 . PRO 120 120 5623 1 . PRO 121 121 5623 1 . ARG 122 122 5623 1 . SER 123 123 5623 1 . THR 124 124 5623 1 . PRO 125 125 5623 1 . PRO 126 126 5623 1 . ARG 127 127 5623 1 . SER 128 128 5623 1 . SER 129 129 5623 1 . LEU 130 130 5623 1 . TYR 131 131 5623 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 5623 _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 $MA_MoMuLV_monomer . 11786 . . 'Gammaretrovirus Murine Leukemia Virus' 'Moloney Murine Leukemia Virus' . . Viruses . Gammaretrovirus 'Murine Leukemia Virus' . . . . . . . . . . . . . . . . gag . . . . 5623 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 5623 _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 $MA_MoMuLV_monomer . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pET11c . . . . . . 5623 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Sample.Sf_category sample _Sample.Sf_framecode sample1 _Sample.Entry_ID 5623 _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 'matrix protein' '[U-95% 13C; U-90% 15N]' . . 1 $MA_MoMuLV_monomer . . . 1.0 1.2 mM . . . . 5623 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond1 _Sample_condition_list.Entry_ID 5623 _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 5.5 0.1 n/a 5623 1 temperature 303 1 K 5623 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 5623 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceDMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5623 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceDMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5623 _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 AvanceDMX . 500 . . . 5623 1 2 NMR_spectrometer Bruker AvanceDMX . 600 . . . 5623 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 5623 _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 [15N,1H]-TROSY-HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5623 1 2 (HCA)CO(CA)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5623 1 3 [15N,1H]-TROSY-HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5623 1 4 CBCACOHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5623 1 5 HBHA(CBCA)(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5623 1 6 H(CC)(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5623 1 7 (H)C(C)(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5623 1 8 '1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5623 1 9 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5623 1 10 '1H-13C NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5623 1 11 '1H-13C NOESY-TROSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5623 1 12 '15N-1H TROSY-H(NCDCG)CB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5623 1 13 '15N-1H TROSY-H(N)Car' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5623 1 14 '13C-1H H(CDCG)CB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5623 1 15 '1H-13C-15N HCAN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5623 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5623 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name [15N,1H]-TROSY-HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5623 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name (HCA)CO(CA)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5623 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name [15N,1H]-TROSY-HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5623 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCACOHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5623 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HBHA(CBCA)(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5623 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name H(CC)(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5623 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name (H)C(C)(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5623 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '1H-15N TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5623 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '1H-15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5623 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '1H-13C NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5623 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '1H-13C NOESY-TROSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5623 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '15N-1H TROSY-H(NCDCG)CB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5623 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '15N-1H TROSY-H(N)Car' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5623 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '13C-1H H(CDCG)CB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 5623 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '1H-13C-15N HCAN' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5623 _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 0.0 internal direct 1.0 . . . . . . . . . 5623 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5623 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5623 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_MA_MoMuLV _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode MA_MoMuLV _Assigned_chem_shift_list.Entry_ID 5623 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond1 _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 $sample1 . 5623 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY H H 1 8.719 0.01 . 1 . . . . . . . . 5623 1 2 . 1 1 2 2 GLY N N 15 110.509 0.1 . 1 . . . . . . . . 5623 1 3 . 1 1 2 2 GLY CA C 13 45.057 0.1 . 1 . . . . . . . . 5623 1 4 . 1 1 2 2 GLY HA2 H 1 4.036 0.01 . 2 . . . . . . . . 5623 1 5 . 1 1 2 2 GLY C C 13 174.299 0.1 . 1 . . . . . . . . 5623 1 6 . 1 1 3 3 GLN H H 1 8.364 0.01 . 1 . . . . . . . . 5623 1 7 . 1 1 3 3 GLN N N 15 119.967 0.1 . 1 . . . . . . . . 5623 1 8 . 1 1 3 3 GLN CA C 13 55.661 0.1 . 1 . . . . . . . . 5623 1 9 . 1 1 3 3 GLN HA H 1 4.492 0.01 . 1 . . . . . . . . 5623 1 10 . 1 1 3 3 GLN C C 13 176.105 0.1 . 1 . . . . . . . . 5623 1 11 . 1 1 3 3 GLN CB C 13 29.592 0.1 . 1 . . . . . . . . 5623 1 12 . 1 1 3 3 GLN HB2 H 1 2.131 0.01 . 1 . . . . . . . . 5623 1 13 . 1 1 3 3 GLN HB3 H 1 2.026 0.01 . 1 . . . . . . . . 5623 1 14 . 1 1 3 3 GLN CG C 13 33.592 0.1 . 1 . . . . . . . . 5623 1 15 . 1 1 3 3 GLN HG2 H 1 2.411 0.01 . 2 . . . . . . . . 5623 1 16 . 1 1 3 3 GLN NE2 N 15 112.509 0.1 . 1 . . . . . . . . 5623 1 17 . 1 1 3 3 GLN HE21 H 1 7.593 0.01 . 1 . . . . . . . . 5623 1 18 . 1 1 3 3 GLN HE22 H 1 6.889 0.01 . 1 . . . . . . . . 5623 1 19 . 1 1 4 4 THR H H 1 8.441 0.01 . 1 . . . . . . . . 5623 1 20 . 1 1 4 4 THR N N 15 117.76 0.1 . 1 . . . . . . . . 5623 1 21 . 1 1 4 4 THR CA C 13 62.055 0.1 . 1 . . . . . . . . 5623 1 22 . 1 1 4 4 THR HA H 1 4.41 0.01 . 1 . . . . . . . . 5623 1 23 . 1 1 4 4 THR C C 13 176.364 0.1 . 1 . . . . . . . . 5623 1 24 . 1 1 4 4 THR CB C 13 69.696 0.1 . 1 . . . . . . . . 5623 1 25 . 1 1 4 4 THR HB H 1 4.177 0.01 . 1 . . . . . . . . 5623 1 26 . 1 1 4 4 THR CG2 C 13 21.62 0.1 . 1 . . . . . . . . 5623 1 27 . 1 1 4 4 THR HG21 H 1 1.231 0.01 . 1 . . . . . . . . 5623 1 28 . 1 1 4 4 THR HG22 H 1 1.231 0.01 . 1 . . . . . . . . 5623 1 29 . 1 1 4 4 THR HG23 H 1 1.231 0.01 . 1 . . . . . . . . 5623 1 30 . 1 1 5 5 VAL H H 1 8.373 0.01 . 1 . . . . . . . . 5623 1 31 . 1 1 5 5 VAL N N 15 124.011 0.1 . 1 . . . . . . . . 5623 1 32 . 1 1 5 5 VAL CA C 13 62.055 0.1 . 1 . . . . . . . . 5623 1 33 . 1 1 5 5 VAL HA H 1 4.27 0.01 . 1 . . . . . . . . 5623 1 34 . 1 1 5 5 VAL C C 13 176.041 0.1 . 1 . . . . . . . . 5623 1 35 . 1 1 5 5 VAL CB C 13 32.894 0.1 . 1 . . . . . . . . 5623 1 36 . 1 1 5 5 VAL HB H 1 2.131 0.01 . 1 . . . . . . . . 5623 1 37 . 1 1 5 5 VAL CG1 C 13 20.529 0.1 . 1 . . . . . . . . 5623 1 38 . 1 1 5 5 VAL HG11 H 1 0.99 0.01 . 1 . . . . . . . . 5623 1 39 . 1 1 5 5 VAL HG12 H 1 0.99 0.01 . 1 . . . . . . . . 5623 1 40 . 1 1 5 5 VAL HG13 H 1 0.99 0.01 . 1 . . . . . . . . 5623 1 41 . 1 1 5 5 VAL CG2 C 13 20.529 0.1 . 1 . . . . . . . . 5623 1 42 . 1 1 5 5 VAL HG21 H 1 0.99 0.01 . 1 . . . . . . . . 5623 1 43 . 1 1 5 5 VAL HG22 H 1 0.99 0.01 . 1 . . . . . . . . 5623 1 44 . 1 1 5 5 VAL HG23 H 1 0.99 0.01 . 1 . . . . . . . . 5623 1 45 . 1 1 6 6 THR H H 1 8.523 0.01 . 1 . . . . . . . . 5623 1 46 . 1 1 6 6 THR N N 15 122.01 0.1 . 1 . . . . . . . . 5623 1 47 . 1 1 6 6 THR CA C 13 62.537 0.1 . 1 . . . . . . . . 5623 1 48 . 1 1 6 6 THR HA H 1 4.352 0.01 . 1 . . . . . . . . 5623 1 49 . 1 1 6 6 THR C C 13 173.655 0.1 . 1 . . . . . . . . 5623 1 50 . 1 1 6 6 THR CB C 13 69.696 0.1 . 1 . . . . . . . . 5623 1 51 . 1 1 6 6 THR HB H 1 4.118 0.01 . 1 . . . . . . . . 5623 1 52 . 1 1 6 6 THR CG2 C 13 21.826 0.1 . 1 . . . . . . . . 5623 1 53 . 1 1 6 6 THR HG21 H 1 1.219 0.01 . 1 . . . . . . . . 5623 1 54 . 1 1 6 6 THR HG22 H 1 1.219 0.01 . 1 . . . . . . . . 5623 1 55 . 1 1 6 6 THR HG23 H 1 1.219 0.01 . 1 . . . . . . . . 5623 1 56 . 1 1 7 7 THR H H 1 8.61 0.01 . 1 . . . . . . . . 5623 1 57 . 1 1 7 7 THR N N 15 117.26 0.1 . 1 . . . . . . . . 5623 1 58 . 1 1 7 7 THR CA C 13 58.624 0.1 . 1 . . . . . . . . 5623 1 59 . 1 1 7 7 THR HA H 1 4.864 0.01 . 1 . . . . . . . . 5623 1 60 . 1 1 7 7 THR C C 13 172.623 0.1 . 1 . . . . . . . . 5623 1 61 . 1 1 7 7 THR CB C 13 69.852 0.1 . 1 . . . . . . . . 5623 1 62 . 1 1 7 7 THR HB H 1 4.773 0.01 . 1 . . . . . . . . 5623 1 63 . 1 1 7 7 THR CG2 C 13 21.932 0.1 . 1 . . . . . . . . 5623 1 64 . 1 1 7 7 THR HG21 H 1 1.301 0.01 . 1 . . . . . . . . 5623 1 65 . 1 1 7 7 THR HG22 H 1 1.301 0.01 . 1 . . . . . . . . 5623 1 66 . 1 1 7 7 THR HG23 H 1 1.301 0.01 . 1 . . . . . . . . 5623 1 67 . 1 1 8 8 PRO N N 15 134.386 0.1 . 1 . . . . . . . . 5623 1 68 . 1 1 8 8 PRO CA C 13 66.421 0.1 . 1 . . . . . . . . 5623 1 69 . 1 1 8 8 PRO HA H 1 4.13 0.01 . 1 . . . . . . . . 5623 1 70 . 1 1 8 8 PRO C C 13 178.298 0.1 . 1 . . . . . . . . 5623 1 71 . 1 1 8 8 PRO CB C 13 31.239 0.1 . 1 . . . . . . . . 5623 1 72 . 1 1 8 8 PRO HB2 H 1 1.37 0.01 . 2 . . . . . . . . 5623 1 73 . 1 1 8 8 PRO CG C 13 28.654 0.1 . 1 . . . . . . . . 5623 1 74 . 1 1 8 8 PRO HG2 H 1 1.757 0.01 . 2 . . . . . . . . 5623 1 75 . 1 1 8 8 PRO CD C 13 49.829 0.1 . 1 . . . . . . . . 5623 1 76 . 1 1 8 8 PRO HD2 H 1 3.801 0.01 . 1 . . . . . . . . 5623 1 77 . 1 1 8 8 PRO HD3 H 1 3.547 0.01 . 1 . . . . . . . . 5623 1 78 . 1 1 9 9 LEU H H 1 8.63 0.01 . 1 . . . . . . . . 5623 1 79 . 1 1 9 9 LEU N N 15 116.26 0.1 . 1 . . . . . . . . 5623 1 80 . 1 1 9 9 LEU CA C 13 58.468 0.1 . 1 . . . . . . . . 5623 1 81 . 1 1 9 9 LEU HA H 1 4.597 0.01 . 1 . . . . . . . . 5623 1 82 . 1 1 9 9 LEU C C 13 179.200 0.1 . 1 . . . . . . . . 5623 1 83 . 1 1 9 9 LEU CB C 13 41.159 0.1 . 1 . . . . . . . . 5623 1 84 . 1 1 9 9 LEU HB2 H 1 1.932 0.01 . 1 . . . . . . . . 5623 1 85 . 1 1 9 9 LEU HB3 H 1 1.722 0.01 . 1 . . . . . . . . 5623 1 86 . 1 1 9 9 LEU CG C 13 27.004 0.1 . 1 . . . . . . . . 5623 1 87 . 1 1 9 9 LEU CD1 C 13 23.238 0.1 . 1 . . . . . . . . 5623 1 88 . 1 1 9 9 LEU HD11 H 1 1.436 0.01 . 1 . . . . . . . . 5623 1 89 . 1 1 9 9 LEU HD12 H 1 1.436 0.01 . 1 . . . . . . . . 5623 1 90 . 1 1 9 9 LEU HD13 H 1 1.436 0.01 . 1 . . . . . . . . 5623 1 91 . 1 1 9 9 LEU CD2 C 13 26.075 0.1 . 1 . . . . . . . . 5623 1 92 . 1 1 9 9 LEU HD21 H 1 1.196 0.01 . 1 . . . . . . . . 5623 1 93 . 1 1 9 9 LEU HD22 H 1 1.196 0.01 . 1 . . . . . . . . 5623 1 94 . 1 1 9 9 LEU HD23 H 1 1.196 0.01 . 1 . . . . . . . . 5623 1 95 . 1 1 9 9 LEU HG H 1 0.88 0.01 . 1 . . . . . . . . 5623 1 96 . 1 1 10 10 SER H H 1 8.63 0.01 . 1 . . . . . . . . 5623 1 97 . 1 1 10 10 SER N N 15 118.51 0.1 . 1 . . . . . . . . 5623 1 98 . 1 1 10 10 SER CA C 13 62.367 0.1 . 1 . . . . . . . . 5623 1 99 . 1 1 10 10 SER HA H 1 4.155 0.01 . 1 . . . . . . . . 5623 1 100 . 1 1 10 10 SER C C 13 178.233 0.1 . 1 . . . . . . . . 5623 1 101 . 1 1 10 10 SER CB C 13 62.211 0.1 . 1 . . . . . . . . 5623 1 102 . 1 1 10 10 SER HB2 H 1 3.978 0.01 . 2 . . . . . . . . 5623 1 103 . 1 1 11 11 LEU H H 1 9.051 0.01 . 1 . . . . . . . . 5623 1 104 . 1 1 11 11 LEU N N 15 126.011 0.1 . 1 . . . . . . . . 5623 1 105 . 1 1 11 11 LEU CA C 13 58.306 0.1 . 1 . . . . . . . . 5623 1 106 . 1 1 11 11 LEU HA H 1 4.387 0.01 . 1 . . . . . . . . 5623 1 107 . 1 1 11 11 LEU C C 13 180.168 0.1 . 1 . . . . . . . . 5623 1 108 . 1 1 11 11 LEU CB C 13 42.874 0.1 . 1 . . . . . . . . 5623 1 109 . 1 1 11 11 LEU HB2 H 1 2.142 0.01 . 1 . . . . . . . . 5623 1 110 . 1 1 11 11 LEU HB3 H 1 2.061 0.01 . 1 . . . . . . . . 5623 1 111 . 1 1 11 11 LEU CG C 13 26.856 0.1 . 1 . . . . . . . . 5623 1 112 . 1 1 11 11 LEU CD1 C 13 25.216 0.1 . 1 . . . . . . . . 5623 1 113 . 1 1 11 11 LEU HD11 H 1 1.117 0.01 . 1 . . . . . . . . 5623 1 114 . 1 1 11 11 LEU HD12 H 1 1.117 0.01 . 1 . . . . . . . . 5623 1 115 . 1 1 11 11 LEU HD13 H 1 1.117 0.01 . 1 . . . . . . . . 5623 1 116 . 1 1 11 11 LEU CD2 C 13 25.059 0.1 . 1 . . . . . . . . 5623 1 117 . 1 1 11 11 LEU HD21 H 1 1.161 0.01 . 1 . . . . . . . . 5623 1 118 . 1 1 11 11 LEU HD22 H 1 1.161 0.01 . 1 . . . . . . . . 5623 1 119 . 1 1 11 11 LEU HD23 H 1 1.161 0.01 . 1 . . . . . . . . 5623 1 120 . 1 1 11 11 LEU HG H 1 1.874 0.01 . 1 . . . . . . . . 5623 1 121 . 1 1 12 12 THR H H 1 8.63 0.01 . 1 . . . . . . . . 5623 1 122 . 1 1 12 12 THR N N 15 110.259 0.1 . 1 . . . . . . . . 5623 1 123 . 1 1 12 12 THR CA C 13 65.797 0.1 . 1 . . . . . . . . 5623 1 124 . 1 1 12 12 THR HA H 1 4.083 0.01 . 1 . . . . . . . . 5623 1 125 . 1 1 12 12 THR C C 13 176.299 0.1 . 1 . . . . . . . . 5623 1 126 . 1 1 12 12 THR CB C 13 69.384 0.1 . 1 . . . . . . . . 5623 1 127 . 1 1 12 12 THR HB H 1 4.293 0.01 . 1 . . . . . . . . 5623 1 128 . 1 1 12 12 THR CG2 C 13 23.417 0.1 . 1 . . . . . . . . 5623 1 129 . 1 1 12 12 THR HG21 H 1 1.628 0.01 . 1 . . . . . . . . 5623 1 130 . 1 1 12 12 THR HG22 H 1 1.628 0.01 . 1 . . . . . . . . 5623 1 131 . 1 1 12 12 THR HG23 H 1 1.628 0.01 . 1 . . . . . . . . 5623 1 132 . 1 1 13 13 LEU H H 1 7.952 0.01 . 1 . . . . . . . . 5623 1 133 . 1 1 13 13 LEU N N 15 120.01 0.1 . 1 . . . . . . . . 5623 1 134 . 1 1 13 13 LEU CA C 13 57.688 0.1 . 1 . . . . . . . . 5623 1 135 . 1 1 13 13 LEU HA H 1 4.282 0.01 . 1 . . . . . . . . 5623 1 136 . 1 1 13 13 LEU C C 13 180.619 0.1 . 1 . . . . . . . . 5623 1 137 . 1 1 13 13 LEU CB C 13 41.159 0.1 . 1 . . . . . . . . 5623 1 138 . 1 1 13 13 LEU HB2 H 1 1.932 0.01 . 1 . . . . . . . . 5623 1 139 . 1 1 13 13 LEU HB3 H 1 1.441 0.01 . 1 . . . . . . . . 5623 1 140 . 1 1 13 13 LEU CG C 13 26.622 0.1 . 1 . . . . . . . . 5623 1 141 . 1 1 13 13 LEU CD1 C 13 24.824 0.1 . 1 . . . . . . . . 5623 1 142 . 1 1 13 13 LEU HD11 H 1 0.868 0.01 . 1 . . . . . . . . 5623 1 143 . 1 1 13 13 LEU HD12 H 1 0.868 0.01 . 1 . . . . . . . . 5623 1 144 . 1 1 13 13 LEU HD13 H 1 0.868 0.01 . 1 . . . . . . . . 5623 1 145 . 1 1 13 13 LEU CD2 C 13 22.245 0.1 . 1 . . . . . . . . 5623 1 146 . 1 1 13 13 LEU HD21 H 1 0.638 0.01 . 1 . . . . . . . . 5623 1 147 . 1 1 13 13 LEU HD22 H 1 0.638 0.01 . 1 . . . . . . . . 5623 1 148 . 1 1 13 13 LEU HD23 H 1 0.638 0.01 . 1 . . . . . . . . 5623 1 149 . 1 1 13 13 LEU HG H 1 2.041 0.01 . 1 . . . . . . . . 5623 1 150 . 1 1 14 14 GLY H H 1 8.233 0.01 . 1 . . . . . . . . 5623 1 151 . 1 1 14 14 GLY N N 15 107.509 0.1 . 1 . . . . . . . . 5623 1 152 . 1 1 14 14 GLY CA C 13 45.525 0.1 . 1 . . . . . . . . 5623 1 153 . 1 1 14 14 GLY HA2 H 1 3.968 0.01 . 1 . . . . . . . . 5623 1 154 . 1 1 14 14 GLY HA3 H 1 3.771 0.01 . 1 . . . . . . . . 5623 1 155 . 1 1 14 14 GLY C C 13 174.106 0.1 . 1 . . . . . . . . 5623 1 156 . 1 1 15 15 HIS H H 1 7.295 0.01 . 1 . . . . . . . . 5623 1 157 . 1 1 15 15 HIS N N 15 119.76 0.1 . 1 . . . . . . . . 5623 1 158 . 1 1 15 15 HIS CA C 13 54.102 0.1 . 1 . . . . . . . . 5623 1 159 . 1 1 15 15 HIS HA H 1 4.49 0.01 . 1 . . . . . . . . 5623 1 160 . 1 1 15 15 HIS C C 13 175.138 0.1 . 1 . . . . . . . . 5623 1 161 . 1 1 15 15 HIS CB C 13 26.231 0.1 . 1 . . . . . . . . 5623 1 162 . 1 1 15 15 HIS HB2 H 1 2.441 0.01 . 1 . . . . . . . . 5623 1 163 . 1 1 15 15 HIS HB3 H 1 1.202 0.01 . 1 . . . . . . . . 5623 1 164 . 1 1 15 15 HIS CD2 C 13 120.051 0.1 . 1 . . . . . . . . 5623 1 165 . 1 1 15 15 HIS HD2 H 1 6.785 0.01 . 1 . . . . . . . . 5623 1 166 . 1 1 15 15 HIS CE1 C 13 135.298 0.1 . 1 . . . . . . . . 5623 1 167 . 1 1 15 15 HIS HE1 H 1 8.321 0.01 . 1 . . . . . . . . 5623 1 168 . 1 1 16 16 TRP H H 1 7.06 0.01 . 1 . . . . . . . . 5623 1 169 . 1 1 16 16 TRP N N 15 121.76 0.1 . 1 . . . . . . . . 5623 1 170 . 1 1 16 16 TRP CA C 13 60.184 0.1 . 1 . . . . . . . . 5623 1 171 . 1 1 16 16 TRP HA H 1 4.165 0.01 . 1 . . . . . . . . 5623 1 172 . 1 1 16 16 TRP C C 13 176.427 0.1 . 1 . . . . . . . . 5623 1 173 . 1 1 16 16 TRP CB C 13 29.748 0.1 . 1 . . . . . . . . 5623 1 174 . 1 1 16 16 TRP HB2 H 1 3.521 0.01 . 1 . . . . . . . . 5623 1 175 . 1 1 16 16 TRP HB3 H 1 2.984 0.01 . 1 . . . . . . . . 5623 1 176 . 1 1 16 16 TRP CD1 C 13 126.085 0.1 . 1 . . . . . . . . 5623 1 177 . 1 1 16 16 TRP HD1 H 1 6.92 0.01 . 1 . . . . . . . . 5623 1 178 . 1 1 16 16 TRP NE1 N 15 127.261 0.1 . 1 . . . . . . . . 5623 1 179 . 1 1 16 16 TRP HE1 H 1 9.69 0.01 . 1 . . . . . . . . 5623 1 180 . 1 1 16 16 TRP CE3 C 13 120.819 0.1 . 1 . . . . . . . . 5623 1 181 . 1 1 16 16 TRP HE3 H 1 7.08 0.01 . 1 . . . . . . . . 5623 1 182 . 1 1 16 16 TRP CZ2 C 13 112.812 0.1 . 1 . . . . . . . . 5623 1 183 . 1 1 16 16 TRP HZ2 H 1 6.977 0.01 . 1 . . . . . . . . 5623 1 184 . 1 1 16 16 TRP CZ3 C 13 119.613 0.1 . 1 . . . . . . . . 5623 1 185 . 1 1 16 16 TRP HZ3 H 1 7.07 0.01 . 1 . . . . . . . . 5623 1 186 . 1 1 16 16 TRP CH2 C 13 123.342 0.1 . 1 . . . . . . . . 5623 1 187 . 1 1 16 16 TRP HH2 H 1 6.265 0.01 . 1 . . . . . . . . 5623 1 188 . 1 1 17 17 LYS H H 1 8.35 0.01 . 1 . . . . . . . . 5623 1 189 . 1 1 17 17 LYS N N 15 115.01 0.1 . 1 . . . . . . . . 5623 1 190 . 1 1 17 17 LYS CA C 13 58.936 0.1 . 1 . . . . . . . . 5623 1 191 . 1 1 17 17 LYS HA H 1 3.968 0.01 . 1 . . . . . . . . 5623 1 192 . 1 1 17 17 LYS C C 13 179.716 0.1 . 1 . . . . . . . . 5623 1 193 . 1 1 17 17 LYS CB C 13 31.389 0.1 . 1 . . . . . . . . 5623 1 194 . 1 1 17 17 LYS HB2 H 1 1.803 0.01 . 1 . . . . . . . . 5623 1 195 . 1 1 17 17 LYS HB3 H 1 1.746 0.01 . 1 . . . . . . . . 5623 1 196 . 1 1 17 17 LYS CG C 13 24.65 0.1 . 1 . . . . . . . . 5623 1 197 . 1 1 17 17 LYS HG2 H 1 1.57 0.01 . 2 . . . . . . . . 5623 1 198 . 1 1 17 17 LYS CD C 13 28.654 0.1 . 1 . . . . . . . . 5623 1 199 . 1 1 17 17 LYS HD2 H 1 1.827 0.01 . 2 . . . . . . . . 5623 1 200 . 1 1 17 17 LYS CE C 13 41.939 0.1 . 1 . . . . . . . . 5623 1 201 . 1 1 17 17 LYS HE2 H 1 3.033 0.01 . 1 . . . . . . . . 5623 1 202 . 1 1 18 18 ASP H H 1 7.461 0.01 . 1 . . . . . . . . 5623 1 203 . 1 1 18 18 ASP N N 15 119.01 0.1 . 1 . . . . . . . . 5623 1 204 . 1 1 18 18 ASP CA C 13 56.909 0.1 . 1 . . . . . . . . 5623 1 205 . 1 1 18 18 ASP HA H 1 4.621 0.01 . 1 . . . . . . . . 5623 1 206 . 1 1 18 18 ASP C C 13 177.97 0.1 . 1 . . . . . . . . 5623 1 207 . 1 1 18 18 ASP CB C 13 41.783 0.1 . 1 . . . . . . . . 5623 1 208 . 1 1 18 18 ASP HB2 H 1 2.996 0.01 . 1 . . . . . . . . 5623 1 209 . 1 1 18 18 ASP HB3 H 1 2.867 0.01 . 1 . . . . . . . . 5623 1 210 . 1 1 18 18 ASP CG C 13 179.716 0.1 . 1 . . . . . . . . 5623 1 211 . 1 1 19 19 VAL H H 1 7.391 0.01 . 1 . . . . . . . . 5623 1 212 . 1 1 19 19 VAL N N 15 121.76 0.1 . 1 . . . . . . . . 5623 1 213 . 1 1 19 19 VAL CA C 13 67.357 0.1 . 1 . . . . . . . . 5623 1 214 . 1 1 19 19 VAL HA H 1 3.031 0.01 . 1 . . . . . . . . 5623 1 215 . 1 1 19 19 VAL C C 13 177.008 0.1 . 1 . . . . . . . . 5623 1 216 . 1 1 19 19 VAL CB C 13 29.983 0.1 . 1 . . . . . . . . 5623 1 217 . 1 1 19 19 VAL HB H 1 1.032 0.01 . 1 . . . . . . . . 5623 1 218 . 1 1 19 19 VAL CG1 C 13 21.229 0.1 . 1 . . . . . . . . 5623 1 219 . 1 1 19 19 VAL HG11 H 1 -0.593 0.01 . 1 . . . . . . . . 5623 1 220 . 1 1 19 19 VAL HG12 H 1 -0.593 0.01 . 1 . . . . . . . . 5623 1 221 . 1 1 19 19 VAL HG13 H 1 -0.593 0.01 . 1 . . . . . . . . 5623 1 222 . 1 1 19 19 VAL CG2 C 13 23.496 0.1 . 1 . . . . . . . . 5623 1 223 . 1 1 19 19 VAL HG21 H 1 0.748 0.01 . 1 . . . . . . . . 5623 1 224 . 1 1 19 19 VAL HG22 H 1 0.748 0.01 . 1 . . . . . . . . 5623 1 225 . 1 1 19 19 VAL HG23 H 1 0.748 0.01 . 1 . . . . . . . . 5623 1 226 . 1 1 20 20 GLU H H 1 7.812 0.01 . 1 . . . . . . . . 5623 1 227 . 1 1 20 20 GLU N N 15 116.51 0.1 . 1 . . . . . . . . 5623 1 228 . 1 1 20 20 GLU CA C 13 59.248 0.1 . 1 . . . . . . . . 5623 1 229 . 1 1 20 20 GLU HA H 1 3.195 0.01 . 1 . . . . . . . . 5623 1 230 . 1 1 20 20 GLU C C 13 178.427 0.1 . 1 . . . . . . . . 5623 1 231 . 1 1 20 20 GLU CB C 13 30.061 0.1 . 1 . . . . . . . . 5623 1 232 . 1 1 20 20 GLU HB2 H 1 1.792 0.01 . 1 . . . . . . . . 5623 1 233 . 1 1 20 20 GLU HB3 H 1 1.5 0.01 . 1 . . . . . . . . 5623 1 234 . 1 1 20 20 GLU CG C 13 36.949 0.1 . 1 . . . . . . . . 5623 1 235 . 1 1 20 20 GLU HG2 H 1 1.593 0.01 . 2 . . . . . . . . 5623 1 236 . 1 1 20 20 GLU CD C 13 183.908 0.1 . 1 . . . . . . . . 5623 1 237 . 1 1 21 21 ARG H H 1 7.204 0.01 . 1 . . . . . . . . 5623 1 238 . 1 1 21 21 ARG N N 15 119.01 0.1 . 1 . . . . . . . . 5623 1 239 . 1 1 21 21 ARG CA C 13 59.248 0.1 . 1 . . . . . . . . 5623 1 240 . 1 1 21 21 ARG HA H 1 3.954 0.01 . 1 . . . . . . . . 5623 1 241 . 1 1 21 21 ARG C C 13 178.362 0.1 . 1 . . . . . . . . 5623 1 242 . 1 1 21 21 ARG CB C 13 29.904 0.1 . 1 . . . . . . . . 5623 1 243 . 1 1 21 21 ARG HB2 H 1 2.164 0.01 . 1 . . . . . . . . 5623 1 244 . 1 1 21 21 ARG HB3 H 1 1.92 0.01 . 1 . . . . . . . . 5623 1 245 . 1 1 21 21 ARG CG C 13 27.091 0.1 . 1 . . . . . . . . 5623 1 246 . 1 1 21 21 ARG HG2 H 1 1.733 0.01 . 1 . . . . . . . . 5623 1 247 . 1 1 21 21 ARG HG3 H 1 1.535 0.01 . 1 . . . . . . . . 5623 1 248 . 1 1 21 21 ARG CD C 13 43.03 0.1 . 1 . . . . . . . . 5623 1 249 . 1 1 21 21 ARG HD2 H 1 3.393 0.01 . 1 . . . . . . . . 5623 1 250 . 1 1 21 21 ARG HD3 H 1 3.196 0.01 . 1 . . . . . . . . 5623 1 251 . 1 1 22 22 ILE H H 1 8.0 0.01 . 1 . . . . . . . . 5623 1 252 . 1 1 22 22 ILE N N 15 122.26 0.1 . 1 . . . . . . . . 5623 1 253 . 1 1 22 22 ILE CA C 13 65.174 0.1 . 1 . . . . . . . . 5623 1 254 . 1 1 22 22 ILE HA H 1 3.639 0.01 . 1 . . . . . . . . 5623 1 255 . 1 1 22 22 ILE C C 13 178.813 0.1 . 1 . . . . . . . . 5623 1 256 . 1 1 22 22 ILE CB C 13 37.884 0.1 . 1 . . . . . . . . 5623 1 257 . 1 1 22 22 ILE HB H 1 1.85 0.01 . 1 . . . . . . . . 5623 1 258 . 1 1 22 22 ILE CG2 C 13 17.634 0.1 . 1 . . . . . . . . 5623 1 259 . 1 1 22 22 ILE HG21 H 1 0.938 0.01 . 1 . . . . . . . . 5623 1 260 . 1 1 22 22 ILE HG22 H 1 0.938 0.01 . 1 . . . . . . . . 5623 1 261 . 1 1 22 22 ILE HG23 H 1 0.938 0.01 . 1 . . . . . . . . 5623 1 262 . 1 1 22 22 ILE CG1 C 13 29.904 0.1 . 1 . . . . . . . . 5623 1 263 . 1 1 22 22 ILE HG12 H 1 1.7 0.01 . 1 . . . . . . . . 5623 1 264 . 1 1 22 22 ILE HG13 H 1 1.163 0.01 . 1 . . . . . . . . 5623 1 265 . 1 1 22 22 ILE CD1 C 13 13.824 0.1 . 1 . . . . . . . . 5623 1 266 . 1 1 22 22 ILE HD11 H 1 0.81 0.01 . 1 . . . . . . . . 5623 1 267 . 1 1 22 22 ILE HD12 H 1 0.81 0.01 . 1 . . . . . . . . 5623 1 268 . 1 1 22 22 ILE HD13 H 1 0.81 0.01 . 1 . . . . . . . . 5623 1 269 . 1 1 23 23 ALA H H 1 8.558 0.01 . 1 . . . . . . . . 5623 1 270 . 1 1 23 23 ALA N N 15 123.761 0.1 . 1 . . . . . . . . 5623 1 271 . 1 1 23 23 ALA CA C 13 55.349 0.1 . 1 . . . . . . . . 5623 1 272 . 1 1 23 23 ALA HA H 1 3.908 0.01 . 1 . . . . . . . . 5623 1 273 . 1 1 23 23 ALA C C 13 180.748 0.1 . 1 . . . . . . . . 5623 1 274 . 1 1 23 23 ALA CB C 13 18.884 0.1 . 1 . . . . . . . . 5623 1 275 . 1 1 23 23 ALA HB1 H 1 1.266 0.01 . 1 . . . . . . . . 5623 1 276 . 1 1 23 23 ALA HB2 H 1 1.266 0.01 . 1 . . . . . . . . 5623 1 277 . 1 1 23 23 ALA HB3 H 1 1.266 0.01 . 1 . . . . . . . . 5623 1 278 . 1 1 24 24 HIS H H 1 8.457 0.01 . 1 . . . . . . . . 5623 1 279 . 1 1 24 24 HIS N N 15 117.51 0.1 . 1 . . . . . . . . 5623 1 280 . 1 1 24 24 HIS CA C 13 57.844 0.1 . 1 . . . . . . . . 5623 1 281 . 1 1 24 24 HIS HA H 1 4.691 0.01 . 1 . . . . . . . . 5623 1 282 . 1 1 24 24 HIS C C 13 179.781 0.1 . 1 . . . . . . . . 5623 1 283 . 1 1 24 24 HIS CB C 13 27.709 0.1 . 1 . . . . . . . . 5623 1 284 . 1 1 24 24 HIS HB2 H 1 3.374 0.01 . 2 . . . . . . . . 5623 1 285 . 1 1 24 24 HIS CD2 C 13 119.723 0.1 . 1 . . . . . . . . 5623 1 286 . 1 1 24 24 HIS HD2 H 1 7.732 0.01 . 1 . . . . . . . . 5623 1 287 . 1 1 24 24 HIS CE1 C 13 136.066 0.1 . 1 . . . . . . . . 5623 1 288 . 1 1 24 24 HIS HE1 H 1 8.534 0.01 . 1 . . . . . . . . 5623 1 289 . 1 1 25 25 ASN H H 1 8.532 0.01 . 1 . . . . . . . . 5623 1 290 . 1 1 25 25 ASN N N 15 122.01 0.1 . 1 . . . . . . . . 5623 1 291 . 1 1 25 25 ASN CA C 13 55.349 0.1 . 1 . . . . . . . . 5623 1 292 . 1 1 25 25 ASN HA H 1 4.632 0.01 . 1 . . . . . . . . 5623 1 293 . 1 1 25 25 ASN C C 13 176.685 0.1 . 1 . . . . . . . . 5623 1 294 . 1 1 25 25 ASN CB C 13 37.728 0.1 . 1 . . . . . . . . 5623 1 295 . 1 1 25 25 ASN HB2 H 1 3.195 0.01 . 1 . . . . . . . . 5623 1 296 . 1 1 25 25 ASN HB3 H 1 2.972 0.01 . 1 . . . . . . . . 5623 1 297 . 1 1 25 25 ASN CG C 13 176.427 0.1 . 1 . . . . . . . . 5623 1 298 . 1 1 25 25 ASN ND2 N 15 110.509 0.01 . 1 . . . . . . . . 5623 1 299 . 1 1 25 25 ASN HD21 H 1 7.702 0.01 . 1 . . . . . . . . 5623 1 300 . 1 1 25 25 ASN HD22 H 1 6.857 0.01 . 1 . . . . . . . . 5623 1 301 . 1 1 26 26 GLN H H 1 7.929 0.01 . 1 . . . . . . . . 5623 1 302 . 1 1 26 26 GLN N N 15 118.26 0.1 . 1 . . . . . . . . 5623 1 303 . 1 1 26 26 GLN CA C 13 53.79 0.1 . 1 . . . . . . . . 5623 1 304 . 1 1 26 26 GLN HA H 1 4.516 0.01 . 1 . . . . . . . . 5623 1 305 . 1 1 26 26 GLN C C 13 174.557 0.1 . 1 . . . . . . . . 5623 1 306 . 1 1 26 26 GLN CB C 13 28.029 0.1 . 1 . . . . . . . . 5623 1 307 . 1 1 26 26 GLN HB2 H 1 2.458 0.01 . 1 . . . . . . . . 5623 1 308 . 1 1 26 26 GLN HB3 H 1 2.084 0.01 . 1 . . . . . . . . 5623 1 309 . 1 1 26 26 GLN CG C 13 32.894 0.1 . 1 . . . . . . . . 5623 1 310 . 1 1 26 26 GLN HG2 H 1 2.715 0.01 . 1 . . . . . . . . 5623 1 311 . 1 1 26 26 GLN HG3 H 1 2.107 0.01 . 1 . . . . . . . . 5623 1 312 . 1 1 26 26 GLN NE2 N 15 112.759 0.1 . 1 . . . . . . . . 5623 1 313 . 1 1 26 26 GLN HE21 H 1 7.24 0.01 . 1 . . . . . . . . 5623 1 314 . 1 1 26 26 GLN HE22 H 1 6.857 0.01 . 1 . . . . . . . . 5623 1 315 . 1 1 27 27 SER H H 1 8.046 0.01 . 1 . . . . . . . . 5623 1 316 . 1 1 27 27 SER N N 15 110.259 0.1 . 1 . . . . . . . . 5623 1 317 . 1 1 27 27 SER CA C 13 59.092 0.1 . 1 . . . . . . . . 5623 1 318 . 1 1 27 27 SER HA H 1 4.071 0.01 . 1 . . . . . . . . 5623 1 319 . 1 1 27 27 SER C C 13 173.977 0.1 . 1 . . . . . . . . 5623 1 320 . 1 1 27 27 SER CB C 13 61.275 0.1 . 1 . . . . . . . . 5623 1 321 . 1 1 27 27 SER HB2 H 1 4.163 0.01 . 2 . . . . . . . . 5623 1 322 . 1 1 28 28 VAL H H 1 7.906 0.01 . 1 . . . . . . . . 5623 1 323 . 1 1 28 28 VAL N N 15 111.509 0.1 . 1 . . . . . . . . 5623 1 324 . 1 1 28 28 VAL CA C 13 58.624 0.1 . 1 . . . . . . . . 5623 1 325 . 1 1 28 28 VAL HA H 1 4.843 0.01 . 1 . . . . . . . . 5623 1 326 . 1 1 28 28 VAL C C 13 173.332 0.1 . 1 . . . . . . . . 5623 1 327 . 1 1 28 28 VAL CB C 13 35.389 0.1 . 1 . . . . . . . . 5623 1 328 . 1 1 28 28 VAL HB H 1 2.142 0.01 . 1 . . . . . . . . 5623 1 329 . 1 1 28 28 VAL CG1 C 13 18.181 0.1 . 1 . . . . . . . . 5623 1 330 . 1 1 28 28 VAL HG11 H 1 0.763 0.01 . 1 . . . . . . . . 5623 1 331 . 1 1 28 28 VAL HG12 H 1 0.763 0.01 . 1 . . . . . . . . 5623 1 332 . 1 1 28 28 VAL HG13 H 1 0.763 0.01 . 1 . . . . . . . . 5623 1 333 . 1 1 28 28 VAL CG2 C 13 21.59 0.1 . 1 . . . . . . . . 5623 1 334 . 1 1 28 28 VAL HG21 H 1 0.88 0.01 . 1 . . . . . . . . 5623 1 335 . 1 1 28 28 VAL HG22 H 1 0.88 0.01 . 1 . . . . . . . . 5623 1 336 . 1 1 28 28 VAL HG23 H 1 0.88 0.01 . 1 . . . . . . . . 5623 1 337 . 1 1 29 29 ASP H H 1 7.906 0.01 . 1 . . . . . . . . 5623 1 338 . 1 1 29 29 ASP N N 15 118.26 0.1 . 1 . . . . . . . . 5623 1 339 . 1 1 29 29 ASP CA C 13 53.322 0.1 . 1 . . . . . . . . 5623 1 340 . 1 1 29 29 ASP HA H 1 5.007 0.01 . 1 . . . . . . . . 5623 1 341 . 1 1 29 29 ASP C C 13 174.944 0.1 . 1 . . . . . . . . 5623 1 342 . 1 1 29 29 ASP CB C 13 44.59 0.1 . 1 . . . . . . . . 5623 1 343 . 1 1 29 29 ASP HB2 H 1 2.552 0.01 . 2 . . . . . . . . 5623 1 344 . 1 1 29 29 ASP CG C 13 180.168 0.1 . 1 . . . . . . . . 5623 1 345 . 1 1 30 30 VAL H H 1 7.906 0.01 . 1 . . . . . . . . 5623 1 346 . 1 1 30 30 VAL N N 15 113.009 0.1 . 1 . . . . . . . . 5623 1 347 . 1 1 30 30 VAL CA C 13 58.78 0.1 . 1 . . . . . . . . 5623 1 348 . 1 1 30 30 VAL HA H 1 4.504 0.01 . 1 . . . . . . . . 5623 1 349 . 1 1 30 30 VAL C C 13 174.042 0.1 . 1 . . . . . . . . 5623 1 350 . 1 1 30 30 VAL CB C 13 36.481 0.1 . 1 . . . . . . . . 5623 1 351 . 1 1 30 30 VAL HB H 1 2.131 0.01 . 1 . . . . . . . . 5623 1 352 . 1 1 30 30 VAL CG1 C 13 17.712 0.1 . 1 . . . . . . . . 5623 1 353 . 1 1 30 30 VAL HG11 H 1 0.484 0.01 . 1 . . . . . . . . 5623 1 354 . 1 1 30 30 VAL HG12 H 1 0.484 0.01 . 1 . . . . . . . . 5623 1 355 . 1 1 30 30 VAL HG13 H 1 0.484 0.01 . 1 . . . . . . . . 5623 1 356 . 1 1 30 30 VAL CG2 C 13 22.792 0.1 . 1 . . . . . . . . 5623 1 357 . 1 1 30 30 VAL HG21 H 1 0.249 0.01 . 1 . . . . . . . . 5623 1 358 . 1 1 30 30 VAL HG22 H 1 0.249 0.01 . 1 . . . . . . . . 5623 1 359 . 1 1 30 30 VAL HG23 H 1 0.249 0.01 . 1 . . . . . . . . 5623 1 360 . 1 1 31 31 LYS H H 1 8.672 0.01 . 1 . . . . . . . . 5623 1 361 . 1 1 31 31 LYS N N 15 119.76 0.1 . 1 . . . . . . . . 5623 1 362 . 1 1 31 31 LYS CA C 13 53.946 0.1 . 1 . . . . . . . . 5623 1 363 . 1 1 31 31 LYS HA H 1 5.007 0.01 . 1 . . . . . . . . 5623 1 364 . 1 1 31 31 LYS C C 13 177.588 0.1 . 1 . . . . . . . . 5623 1 365 . 1 1 31 31 LYS CB C 13 34.765 0.1 . 1 . . . . . . . . 5623 1 366 . 1 1 31 31 LYS HB2 H 1 2.201 0.01 . 1 . . . . . . . . 5623 1 367 . 1 1 31 31 LYS HB3 H 1 1.955 0.01 . 1 . . . . . . . . 5623 1 368 . 1 1 31 31 LYS CG C 13 24.668 0.1 . 1 . . . . . . . . 5623 1 369 . 1 1 31 31 LYS HG2 H 1 1.687 0.01 . 1 . . . . . . . . 5623 1 370 . 1 1 31 31 LYS HG3 H 1 1.511 0.01 . 1 . . . . . . . . 5623 1 371 . 1 1 31 31 LYS CD C 13 28.415 0.1 . 1 . . . . . . . . 5623 1 372 . 1 1 31 31 LYS HD2 H 1 1.687 0.01 . 2 . . . . . . . . 5623 1 373 . 1 1 31 31 LYS CE C 13 42.406 0.1 . 1 . . . . . . . . 5623 1 374 . 1 1 31 31 LYS HE2 H 1 3.113 0.01 . 1 . . . . . . . . 5623 1 375 . 1 1 31 31 LYS HE3 H 1 3.008 0.01 . 1 . . . . . . . . 5623 1 376 . 1 1 32 32 LYS H H 1 8.911 0.01 . 1 . . . . . . . . 5623 1 377 . 1 1 32 32 LYS N N 15 126.761 0.1 . 1 . . . . . . . . 5623 1 378 . 1 1 32 32 LYS CA C 13 60.654 0.1 . 1 . . . . . . . . 5623 1 379 . 1 1 32 32 LYS HA H 1 2.996 0.01 . 1 . . . . . . . . 5623 1 380 . 1 1 32 32 LYS C C 13 177.911 0.1 . 1 . . . . . . . . 5623 1 381 . 1 1 32 32 LYS CB C 13 32.484 0.1 . 1 . . . . . . . . 5623 1 382 . 1 1 32 32 LYS HB2 H 1 1.149 0.01 . 1 . . . . . . . . 5623 1 383 . 1 1 32 32 LYS HB3 H 1 0.74 0.01 . 1 . . . . . . . . 5623 1 384 . 1 1 32 32 LYS CG C 13 24.121 0.1 . 1 . . . . . . . . 5623 1 385 . 1 1 32 32 LYS HG2 H 1 0.401 0.01 . 1 . . . . . . . . 5623 1 386 . 1 1 32 32 LYS HG3 H 1 -0.172 0.01 . 1 . . . . . . . . 5623 1 387 . 1 1 32 32 LYS CD C 13 29.123 0.1 . 1 . . . . . . . . 5623 1 388 . 1 1 32 32 LYS HD2 H 1 1.044 0.01 . 2 . . . . . . . . 5623 1 389 . 1 1 32 32 LYS CE C 13 41.159 0.1 . 1 . . . . . . . . 5623 1 390 . 1 1 32 32 LYS HE2 H 1 2.259 0.01 . 1 . . . . . . . . 5623 1 391 . 1 1 32 32 LYS HE3 H 1 2.142 0.01 . 1 . . . . . . . . 5623 1 392 . 1 1 33 33 ARG H H 1 8.657 0.01 . 1 . . . . . . . . 5623 1 393 . 1 1 33 33 ARG N N 15 116.51 0.1 . 1 . . . . . . . . 5623 1 394 . 1 1 33 33 ARG CA C 13 59.404 0.1 . 1 . . . . . . . . 5623 1 395 . 1 1 33 33 ARG HA H 1 3.931 0.01 . 1 . . . . . . . . 5623 1 396 . 1 1 33 33 ARG C C 13 175.718 0.1 . 1 . . . . . . . . 5623 1 397 . 1 1 33 33 ARG CB C 13 29.4 0.1 . 1 . . . . . . . . 5623 1 398 . 1 1 33 33 ARG HB2 H 1 1.805 0.01 . 1 . . . . . . . . 5623 1 399 . 1 1 33 33 ARG HB3 H 1 1.745 0.01 . 1 . . . . . . . . 5623 1 400 . 1 1 33 33 ARG CG C 13 27.247 0.1 . 1 . . . . . . . . 5623 1 401 . 1 1 33 33 ARG HG2 H 1 1.616 0.01 . 1 . . . . . . . . 5623 1 402 . 1 1 33 33 ARG HG3 H 1 1.535 0.01 . 1 . . . . . . . . 5623 1 403 . 1 1 33 33 ARG CD C 13 43.03 0.1 . 1 . . . . . . . . 5623 1 404 . 1 1 33 33 ARG HD2 H 1 3.136 0.01 . 2 . . . . . . . . 5623 1 405 . 1 1 34 34 ARG H H 1 6.654 0.01 . 1 . . . . . . . . 5623 1 406 . 1 1 34 34 ARG N N 15 117.26 0.1 . 1 . . . . . . . . 5623 1 407 . 1 1 34 34 ARG CA C 13 57.844 0.1 . 1 . . . . . . . . 5623 1 408 . 1 1 34 34 ARG HA H 1 3.428 0.01 . 1 . . . . . . . . 5623 1 409 . 1 1 34 34 ARG C C 13 175.71 0.1 . 1 . . . . . . . . 5623 1 410 . 1 1 34 34 ARG CB C 13 28.967 0.1 . 1 . . . . . . . . 5623 1 411 . 1 1 34 34 ARG HB2 H 1 1.897 0.01 . 1 . . . . . . . . 5623 1 412 . 1 1 34 34 ARG HB3 H 1 1.067 0.01 . 1 . . . . . . . . 5623 1 413 . 1 1 34 34 ARG CG C 13 27.247 0.1 . 1 . . . . . . . . 5623 1 414 . 1 1 34 34 ARG HG2 H 1 1.444 0.01 . 1 . . . . . . . . 5623 1 415 . 1 1 34 34 ARG HG3 H 1 1.193 0.01 . 1 . . . . . . . . 5623 1 416 . 1 1 34 34 ARG CD C 13 43.03 0.1 . 1 . . . . . . . . 5623 1 417 . 1 1 34 34 ARG HD2 H 1 2.986 0.01 . 2 . . . . . . . . 5623 1 418 . 1 1 35 35 TRP H H 1 8.453 0.01 . 1 . . . . . . . . 5623 1 419 . 1 1 35 35 TRP N N 15 121.51 0.1 . 1 . . . . . . . . 5623 1 420 . 1 1 35 35 TRP CA C 13 60.651 0.1 . 1 . . . . . . . . 5623 1 421 . 1 1 35 35 TRP HA H 1 4.41 0.01 . 1 . . . . . . . . 5623 1 422 . 1 1 35 35 TRP C C 13 179.781 0.1 . 1 . . . . . . . . 5623 1 423 . 1 1 35 35 TRP CB C 13 29.827 0.1 . 1 . . . . . . . . 5623 1 424 . 1 1 35 35 TRP HB2 H 1 3.93 0.01 . 1 . . . . . . . . 5623 1 425 . 1 1 35 35 TRP HB3 H 1 3.695 0.01 . 1 . . . . . . . . 5623 1 426 . 1 1 35 35 TRP CD1 C 13 126.414 0.1 . 1 . . . . . . . . 5623 1 427 . 1 1 35 35 TRP HD1 H 1 6.905 0.01 . 1 . . . . . . . . 5623 1 428 . 1 1 35 35 TRP NE1 N 15 128.761 0.1 . 1 . . . . . . . . 5623 1 429 . 1 1 35 35 TRP HE1 H 1 10.393 0.01 . 1 . . . . . . . . 5623 1 430 . 1 1 35 35 TRP CE3 C 13 118.845 0.1 . 1 . . . . . . . . 5623 1 431 . 1 1 35 35 TRP HE3 H 1 7.935 0.01 . 1 . . . . . . . . 5623 1 432 . 1 1 35 35 TRP CZ2 C 13 113.251 0.1 . 1 . . . . . . . . 5623 1 433 . 1 1 35 35 TRP HZ2 H 1 6.108 0.01 . 1 . . . . . . . . 5623 1 434 . 1 1 35 35 TRP CZ3 C 13 120.929 0.1 . 1 . . . . . . . . 5623 1 435 . 1 1 35 35 TRP HZ3 H 1 7.1 0.01 . 1 . . . . . . . . 5623 1 436 . 1 1 35 35 TRP CH2 C 13 123.671 0.1 . 1 . . . . . . . . 5623 1 437 . 1 1 35 35 TRP HH2 H 1 6.14 0.01 . 1 . . . . . . . . 5623 1 438 . 1 1 36 36 VAL H H 1 7.89 0.01 . 1 . . . . . . . . 5623 1 439 . 1 1 36 36 VAL N N 15 117.51 0.1 . 1 . . . . . . . . 5623 1 440 . 1 1 36 36 VAL CA C 13 66.889 0.1 . 1 . . . . . . . . 5623 1 441 . 1 1 36 36 VAL HA H 1 3.639 0.01 . 1 . . . . . . . . 5623 1 442 . 1 1 36 36 VAL C C 13 178.556 0.1 . 1 . . . . . . . . 5623 1 443 . 1 1 36 36 VAL CB C 13 32.249 0.1 . 1 . . . . . . . . 5623 1 444 . 1 1 36 36 VAL HB H 1 2.166 0.01 . 1 . . . . . . . . 5623 1 445 . 1 1 36 36 VAL CG1 C 13 21.073 0.1 . 1 . . . . . . . . 5623 1 446 . 1 1 36 36 VAL HG11 H 1 0.927 0.01 . 1 . . . . . . . . 5623 1 447 . 1 1 36 36 VAL HG12 H 1 0.927 0.01 . 1 . . . . . . . . 5623 1 448 . 1 1 36 36 VAL HG13 H 1 0.927 0.01 . 1 . . . . . . . . 5623 1 449 . 1 1 36 36 VAL CG2 C 13 24.349 0.1 . 1 . . . . . . . . 5623 1 450 . 1 1 36 36 VAL HG21 H 1 1.277 0.01 . 1 . . . . . . . . 5623 1 451 . 1 1 36 36 VAL HG22 H 1 1.277 0.01 . 1 . . . . . . . . 5623 1 452 . 1 1 36 36 VAL HG23 H 1 1.277 0.01 . 1 . . . . . . . . 5623 1 453 . 1 1 37 37 THR H H 1 8.125 0.01 . 1 . . . . . . . . 5623 1 454 . 1 1 37 37 THR N N 15 119.26 0.1 . 1 . . . . . . . . 5623 1 455 . 1 1 37 37 THR CA C 13 66.733 0.1 . 1 . . . . . . . . 5623 1 456 . 1 1 37 37 THR HA H 1 3.721 0.01 . 1 . . . . . . . . 5623 1 457 . 1 1 37 37 THR C C 13 177.395 0.1 . 1 . . . . . . . . 5623 1 458 . 1 1 37 37 THR CB C 13 68.136 0.1 . 1 . . . . . . . . 5623 1 459 . 1 1 37 37 THR HB H 1 3.615 0.01 . 1 . . . . . . . . 5623 1 460 . 1 1 37 37 THR CG2 C 13 21.854 0.1 . 1 . . . . . . . . 5623 1 461 . 1 1 37 37 THR HG21 H 1 0.997 0.01 . 1 . . . . . . . . 5623 1 462 . 1 1 37 37 THR HG22 H 1 0.997 0.01 . 1 . . . . . . . . 5623 1 463 . 1 1 37 37 THR HG23 H 1 0.997 0.01 . 1 . . . . . . . . 5623 1 464 . 1 1 38 38 PHE H H 1 8.688 0.01 . 1 . . . . . . . . 5623 1 465 . 1 1 38 38 PHE N N 15 120.51 0.1 . 1 . . . . . . . . 5623 1 466 . 1 1 38 38 PHE CA C 13 57.844 0.1 . 1 . . . . . . . . 5623 1 467 . 1 1 38 38 PHE HA H 1 3.943 0.01 . 1 . . . . . . . . 5623 1 468 . 1 1 38 38 PHE C C 13 175.202 0.1 . 1 . . . . . . . . 5623 1 469 . 1 1 38 38 PHE CB C 13 34.921 0.1 . 1 . . . . . . . . 5623 1 470 . 1 1 38 38 PHE HB2 H 1 1.722 0.01 . 1 . . . . . . . . 5623 1 471 . 1 1 38 38 PHE HB3 H 1 1.022 0.01 . 1 . . . . . . . . 5623 1 472 . 1 1 38 38 PHE CD1 C 13 129.155 0.1 . 1 . . . . . . . . 5623 1 473 . 1 1 38 38 PHE HD1 H 1 6.177 0.01 . 2 . . . . . . . . 5623 1 474 . 1 1 38 38 PHE CD2 C 13 129.155 0.1 . 1 . . . . . . . . 5623 1 475 . 1 1 38 38 PHE CE1 C 13 131.568 0.1 . 1 . . . . . . . . 5623 1 476 . 1 1 38 38 PHE HE1 H 1 6.925 0.01 . 2 . . . . . . . . 5623 1 477 . 1 1 38 38 PHE CE2 C 13 131.568 0.1 . 1 . . . . . . . . 5623 1 478 . 1 1 38 38 PHE CZ C 13 129.704 0.1 . 1 . . . . . . . . 5623 1 479 . 1 1 38 38 PHE HZ H 1 7.04 0.01 . 1 . . . . . . . . 5623 1 480 . 1 1 39 39 CYS H H 1 6.807 0.01 . 1 . . . . . . . . 5623 1 481 . 1 1 39 39 CYS N N 15 113.509 0.1 . 1 . . . . . . . . 5623 1 482 . 1 1 39 39 CYS CA C 13 61.831 0.1 . 1 . . . . . . . . 5623 1 483 . 1 1 39 39 CYS HA H 1 3.721 0.01 . 1 . . . . . . . . 5623 1 484 . 1 1 39 39 CYS C C 13 173.332 0.1 . 1 . . . . . . . . 5623 1 485 . 1 1 39 39 CYS CB C 13 27.169 0.1 . 1 . . . . . . . . 5623 1 486 . 1 1 39 39 CYS HB2 H 1 3.089 0.01 . 1 . . . . . . . . 5623 1 487 . 1 1 39 39 CYS HB3 H 1 2.493 0.01 . 1 . . . . . . . . 5623 1 488 . 1 1 40 40 SER H H 1 8.234 0.01 . 1 . . . . . . . . 5623 1 489 . 1 1 40 40 SER N N 15 105.258 0.1 . 1 . . . . . . . . 5623 1 490 . 1 1 40 40 SER CA C 13 59.404 0.1 . 1 . . . . . . . . 5623 1 491 . 1 1 40 40 SER HA H 1 5.042 0.01 . 1 . . . . . . . . 5623 1 492 . 1 1 40 40 SER C C 13 174.493 0.1 . 1 . . . . . . . . 5623 1 493 . 1 1 40 40 SER CB C 13 65.641 0.1 . 1 . . . . . . . . 5623 1 494 . 1 1 40 40 SER HB2 H 1 3.814 0.01 . 2 . . . . . . . . 5623 1 495 . 1 1 41 41 ALA H H 1 8.052 0.01 . 1 . . . . . . . . 5623 1 496 . 1 1 41 41 ALA N N 15 122.76 0.1 . 1 . . . . . . . . 5623 1 497 . 1 1 41 41 ALA CA C 13 52.854 0.1 . 1 . . . . . . . . 5623 1 498 . 1 1 41 41 ALA HA H 1 4.703 0.01 . 1 . . . . . . . . 5623 1 499 . 1 1 41 41 ALA C C 13 178.233 0.1 . 1 . . . . . . . . 5623 1 500 . 1 1 41 41 ALA CB C 13 20.682 0.1 . 1 . . . . . . . . 5623 1 501 . 1 1 41 41 ALA HB1 H 1 1.444 0.01 . 1 . . . . . . . . 5623 1 502 . 1 1 41 41 ALA HB2 H 1 1.444 0.01 . 1 . . . . . . . . 5623 1 503 . 1 1 41 41 ALA HB3 H 1 1.444 0.01 . 1 . . . . . . . . 5623 1 504 . 1 1 42 42 GLU H H 1 7.374 0.01 . 1 . . . . . . . . 5623 1 505 . 1 1 42 42 GLU N N 15 117.51 0.1 . 1 . . . . . . . . 5623 1 506 . 1 1 42 42 GLU CA C 13 58.312 0.1 . 1 . . . . . . . . 5623 1 507 . 1 1 42 42 GLU HA H 1 4.387 0.01 . 1 . . . . . . . . 5623 1 508 . 1 1 42 42 GLU C C 13 177.653 0.1 . 1 . . . . . . . . 5623 1 509 . 1 1 42 42 GLU CB C 13 30.686 0.1 . 1 . . . . . . . . 5623 1 510 . 1 1 42 42 GLU HB2 H 1 1.8 0.01 . 2 . . . . . . . . 5623 1 511 . 1 1 42 42 GLU CG C 13 34.45 0.1 . 1 . . . . . . . . 5623 1 512 . 1 1 42 42 GLU HG2 H 1 2.119 0.01 . 1 . . . . . . . . 5623 1 513 . 1 1 42 42 GLU HG3 H 1 1.944 0.01 . 1 . . . . . . . . 5623 1 514 . 1 1 43 43 TRP H H 1 8.591 0.01 . 1 . . . . . . . . 5623 1 515 . 1 1 43 43 TRP N N 15 123.011 0.1 . 1 . . . . . . . . 5623 1 516 . 1 1 43 43 TRP CA C 13 58.312 0.1 . 1 . . . . . . . . 5623 1 517 . 1 1 43 43 TRP HA H 1 3.36 0.01 . 1 . . . . . . . . 5623 1 518 . 1 1 43 43 TRP C C 13 177.459 0.1 . 1 . . . . . . . . 5623 1 519 . 1 1 43 43 TRP CB C 13 26.106 0.1 . 1 . . . . . . . . 5623 1 520 . 1 1 43 43 TRP CD1 C 13 124.988 0.1 . 1 . . . . . . . . 5623 1 521 . 1 1 43 43 TRP HD1 H 1 5.715 0.01 . 1 . . . . . . . . 5623 1 522 . 1 1 43 43 TRP NE1 N 15 126.761 0.1 . 1 . . . . . . . . 5623 1 523 . 1 1 43 43 TRP HE1 H 1 9.785 0.01 . 1 . . . . . . . . 5623 1 524 . 1 1 43 43 TRP CE3 C 13 120.051 0.1 . 1 . . . . . . . . 5623 1 525 . 1 1 43 43 TRP HE3 H 1 5.35 0.01 . 1 . . . . . . . . 5623 1 526 . 1 1 43 43 TRP CZ2 C 13 111.386 0.1 . 1 . . . . . . . . 5623 1 527 . 1 1 43 43 TRP HZ2 H 1 6.955 0.01 . 1 . . . . . . . . 5623 1 528 . 1 1 43 43 TRP CZ3 C 13 120.38 0.1 . 1 . . . . . . . . 5623 1 529 . 1 1 43 43 TRP HZ3 H 1 5.505 0.01 . 1 . . . . . . . . 5623 1 530 . 1 1 43 43 TRP CH2 C 13 122.245 0.1 . 1 . . . . . . . . 5623 1 531 . 1 1 43 43 TRP HH2 H 1 6.485 0.01 . 1 . . . . . . . . 5623 1 532 . 1 1 44 44 PRO N N 15 137.515 0.1 . 1 . . . . . . . . 5623 1 533 . 1 1 44 44 PRO CA C 13 66.889 0.1 . 1 . . . . . . . . 5623 1 534 . 1 1 44 44 PRO HA H 1 4.831 0.01 . 1 . . . . . . . . 5623 1 535 . 1 1 44 44 PRO C C 13 178.040 0.1 . 1 . . . . . . . . 5623 1 536 . 1 1 44 44 PRO CB C 13 31.858 0.1 . 1 . . . . . . . . 5623 1 537 . 1 1 44 44 PRO HB2 H 1 2.6 0.01 . 1 . . . . . . . . 5623 1 538 . 1 1 44 44 PRO HB3 H 1 1.757 0.01 . 1 . . . . . . . . 5623 1 539 . 1 1 44 44 PRO CG C 13 28.885 0.1 . 1 . . . . . . . . 5623 1 540 . 1 1 44 44 PRO HG2 H 1 2.113 0.01 . 1 . . . . . . . . 5623 1 541 . 1 1 44 44 PRO HG3 H 1 1.959 0.01 . 1 . . . . . . . . 5623 1 542 . 1 1 44 44 PRO CD C 13 51.607 0.1 . 1 . . . . . . . . 5623 1 543 . 1 1 44 44 PRO HD2 H 1 3.849 0.01 . 1 . . . . . . . . 5623 1 544 . 1 1 44 44 PRO HD3 H 1 2.902 0.01 . 1 . . . . . . . . 5623 1 545 . 1 1 45 45 THR H H 1 7.655 0.01 . 1 . . . . . . . . 5623 1 546 . 1 1 45 45 THR N N 15 106.008 0.1 . 1 . . . . . . . . 5623 1 547 . 1 1 45 45 THR CA C 13 63.302 0.1 . 1 . . . . . . . . 5623 1 548 . 1 1 45 45 THR HA H 1 4.516 0.01 . 1 . . . . . . . . 5623 1 549 . 1 1 45 45 THR C C 13 175.589 0.1 . 1 . . . . . . . . 5623 1 550 . 1 1 45 45 THR CB C 13 70.008 0.1 . 1 . . . . . . . . 5623 1 551 . 1 1 45 45 THR HB H 1 4.586 0.01 . 1 . . . . . . . . 5623 1 552 . 1 1 45 45 THR CG2 C 13 21.229 0.1 . 1 . . . . . . . . 5623 1 553 . 1 1 45 45 THR HG21 H 1 1.464 0.01 . 1 . . . . . . . . 5623 1 554 . 1 1 45 45 THR HG22 H 1 1.464 0.01 . 1 . . . . . . . . 5623 1 555 . 1 1 45 45 THR HG23 H 1 1.464 0.01 . 1 . . . . . . . . 5623 1 556 . 1 1 46 46 PHE H H 1 7.749 0.01 . 1 . . . . . . . . 5623 1 557 . 1 1 46 46 PHE N N 15 119.51 0.1 . 1 . . . . . . . . 5623 1 558 . 1 1 46 46 PHE CA C 13 55.349 0.1 . 1 . . . . . . . . 5623 1 559 . 1 1 46 46 PHE HA H 1 4.796 0.01 . 1 . . . . . . . . 5623 1 560 . 1 1 46 46 PHE C C 13 175.525 0.1 . 1 . . . . . . . . 5623 1 561 . 1 1 46 46 PHE CB C 13 37.572 0.1 . 1 . . . . . . . . 5623 1 562 . 1 1 46 46 PHE HB2 H 1 3.44 0.01 . 1 . . . . . . . . 5623 1 563 . 1 1 46 46 PHE HB3 H 1 3.311 0.01 . 1 . . . . . . . . 5623 1 564 . 1 1 46 46 PHE CD1 C 13 128.936 0.1 . 1 . . . . . . . . 5623 1 565 . 1 1 46 46 PHE HD1 H 1 6.961 0.01 . 2 . . . . . . . . 5623 1 566 . 1 1 46 46 PHE CD2 C 13 128.936 0.1 . 1 . . . . . . . . 5623 1 567 . 1 1 46 46 PHE CE1 C 13 131.678 0.1 . 1 . . . . . . . . 5623 1 568 . 1 1 46 46 PHE HE1 H 1 7.071 0.01 . 2 . . . . . . . . 5623 1 569 . 1 1 46 46 PHE CE2 C 13 131.678 0.1 . 1 . . . . . . . . 5623 1 570 . 1 1 46 46 PHE CZ C 13 129.704 0.1 . 1 . . . . . . . . 5623 1 571 . 1 1 46 46 PHE HZ H 1 7.07 0.01 . 1 . . . . . . . . 5623 1 572 . 1 1 47 47 ASN H H 1 7.984 0.01 . 1 . . . . . . . . 5623 1 573 . 1 1 47 47 ASN N N 15 114.009 0.1 . 1 . . . . . . . . 5623 1 574 . 1 1 47 47 ASN CA C 13 54.258 0.1 . 1 . . . . . . . . 5623 1 575 . 1 1 47 47 ASN HA H 1 4.726 0.01 . 1 . . . . . . . . 5623 1 576 . 1 1 47 47 ASN C C 13 175.073 0.1 . 1 . . . . . . . . 5623 1 577 . 1 1 47 47 ASN CB C 13 36.637 0.1 . 1 . . . . . . . . 5623 1 578 . 1 1 47 47 ASN HB2 H 1 3.253 0.01 . 1 . . . . . . . . 5623 1 579 . 1 1 47 47 ASN HB3 H 1 2.856 0.01 . 1 . . . . . . . . 5623 1 580 . 1 1 47 47 ASN CG C 13 178.104 0.1 . 1 . . . . . . . . 5623 1 581 . 1 1 47 47 ASN ND2 N 15 112.259 0.01 . 1 . . . . . . . . 5623 1 582 . 1 1 47 47 ASN HD21 H 1 7.578 0.01 . 1 . . . . . . . . 5623 1 583 . 1 1 47 47 ASN HD22 H 1 6.807 0.01 . 1 . . . . . . . . 5623 1 584 . 1 1 48 48 VAL H H 1 8.514 0.01 . 1 . . . . . . . . 5623 1 585 . 1 1 48 48 VAL N N 15 108.009 0.1 . 1 . . . . . . . . 5623 1 586 . 1 1 48 48 VAL CA C 13 59.404 0.1 . 1 . . . . . . . . 5623 1 587 . 1 1 48 48 VAL HA H 1 4.714 0.01 . 1 . . . . . . . . 5623 1 588 . 1 1 48 48 VAL C C 13 175.525 0.1 . 1 . . . . . . . . 5623 1 589 . 1 1 48 48 VAL CB C 13 32.327 0.1 . 1 . . . . . . . . 5623 1 590 . 1 1 48 48 VAL HB H 1 2.61 0.01 . 1 . . . . . . . . 5623 1 591 . 1 1 48 48 VAL CG1 C 13 18.962 0.1 . 1 . . . . . . . . 5623 1 592 . 1 1 48 48 VAL HG11 H 1 0.763 0.01 . 1 . . . . . . . . 5623 1 593 . 1 1 48 48 VAL HG12 H 1 0.763 0.01 . 1 . . . . . . . . 5623 1 594 . 1 1 48 48 VAL HG13 H 1 0.763 0.01 . 1 . . . . . . . . 5623 1 595 . 1 1 48 48 VAL CG2 C 13 21.463 0.1 . 1 . . . . . . . . 5623 1 596 . 1 1 48 48 VAL HG21 H 1 0.892 0.01 . 1 . . . . . . . . 5623 1 597 . 1 1 48 48 VAL HG22 H 1 0.892 0.01 . 1 . . . . . . . . 5623 1 598 . 1 1 48 48 VAL HG23 H 1 0.892 0.01 . 1 . . . . . . . . 5623 1 599 . 1 1 49 49 GLY H H 1 8.093 0.01 . 1 . . . . . . . . 5623 1 600 . 1 1 49 49 GLY N N 15 109.009 0.1 . 1 . . . . . . . . 5623 1 601 . 1 1 49 49 GLY CA C 13 45.213 0.1 . 1 . . . . . . . . 5623 1 602 . 1 1 49 49 GLY HA2 H 1 4.153 0.01 . 1 . . . . . . . . 5623 1 603 . 1 1 49 49 GLY HA3 H 1 3.557 0.01 . 1 . . . . . . . . 5623 1 604 . 1 1 49 49 GLY C C 13 174.557 0.1 . 1 . . . . . . . . 5623 1 605 . 1 1 50 50 TRP H H 1 8.177 0.01 . 1 . . . . . . . . 5623 1 606 . 1 1 50 50 TRP N N 15 122.76 0.1 . 1 . . . . . . . . 5623 1 607 . 1 1 50 50 TRP CA C 13 55.349 0.1 . 1 . . . . . . . . 5623 1 608 . 1 1 50 50 TRP HA H 1 4.317 0.01 . 1 . . . . . . . . 5623 1 609 . 1 1 50 50 TRP C C 13 173.913 0.1 . 1 . . . . . . . . 5623 1 610 . 1 1 50 50 TRP CB C 13 27.951 0.1 . 1 . . . . . . . . 5623 1 611 . 1 1 50 50 TRP HB2 H 1 3.236 0.01 . 1 . . . . . . . . 5623 1 612 . 1 1 50 50 TRP HB3 H 1 2.986 0.01 . 1 . . . . . . . . 5623 1 613 . 1 1 50 50 TRP CD1 C 13 129.814 0.1 . 1 . . . . . . . . 5623 1 614 . 1 1 50 50 TRP HD1 H 1 6.659 0.01 . 1 . . . . . . . . 5623 1 615 . 1 1 50 50 TRP NE1 N 15 132.262 0.1 . 1 . . . . . . . . 5623 1 616 . 1 1 50 50 TRP HE1 H 1 9.87 0.01 . 1 . . . . . . . . 5623 1 617 . 1 1 50 50 TRP CE3 C 13 119.942 0.1 . 1 . . . . . . . . 5623 1 618 . 1 1 50 50 TRP HE3 H 1 6.93 0.01 . 1 . . . . . . . . 5623 1 619 . 1 1 50 50 TRP CZ2 C 13 112.154 0.1 . 1 . . . . . . . . 5623 1 620 . 1 1 50 50 TRP HZ2 H 1 6.045 0.01 . 1 . . . . . . . . 5623 1 621 . 1 1 50 50 TRP CZ3 C 13 121.587 0.1 . 1 . . . . . . . . 5623 1 622 . 1 1 50 50 TRP HZ3 H 1 6.444 0.01 . 1 . . . . . . . . 5623 1 623 . 1 1 50 50 TRP CH2 C 13 124.11 0.1 . 1 . . . . . . . . 5623 1 624 . 1 1 50 50 TRP HH2 H 1 6.057 0.01 . 1 . . . . . . . . 5623 1 625 . 1 1 51 51 PRO N N 15 145.257 0.1 . 1 . . . . . . . . 5623 1 626 . 1 1 51 51 PRO CA C 13 61.119 0.1 . 1 . . . . . . . . 5623 1 627 . 1 1 51 51 PRO HA H 1 4.516 0.01 . 1 . . . . . . . . 5623 1 628 . 1 1 51 51 PRO C C 13 177.395 0.1 . 1 . . . . . . . . 5623 1 629 . 1 1 51 51 PRO CB C 13 31.702 0.1 . 1 . . . . . . . . 5623 1 630 . 1 1 51 51 PRO HB2 H 1 2.094 0.01 . 1 . . . . . . . . 5623 1 631 . 1 1 51 51 PRO HB3 H 1 1.754 0.01 . 1 . . . . . . . . 5623 1 632 . 1 1 51 51 PRO CG C 13 26.778 0.1 . 1 . . . . . . . . 5623 1 633 . 1 1 51 51 PRO HG2 H 1 1.546 0.01 . 1 . . . . . . . . 5623 1 634 . 1 1 51 51 PRO HG3 H 1 1.324 0.01 . 1 . . . . . . . . 5623 1 635 . 1 1 51 51 PRO CD C 13 49.892 0.1 . 1 . . . . . . . . 5623 1 636 . 1 1 51 51 PRO HD2 H 1 3.802 0.01 . 1 . . . . . . . . 5623 1 637 . 1 1 51 51 PRO HD3 H 1 1.885 0.01 . 1 . . . . . . . . 5623 1 638 . 1 1 52 52 ARG H H 1 8.594 0.01 . 1 . . . . . . . . 5623 1 639 . 1 1 52 52 ARG N N 15 120.01 0.1 . 1 . . . . . . . . 5623 1 640 . 1 1 52 52 ARG CA C 13 58.312 0.1 . 1 . . . . . . . . 5623 1 641 . 1 1 52 52 ARG HA H 1 4.469 0.01 . 1 . . . . . . . . 5623 1 642 . 1 1 52 52 ARG C C 13 176.299 0.1 . 1 . . . . . . . . 5623 1 643 . 1 1 52 52 ARG CB C 13 29.826 0.1 . 1 . . . . . . . . 5623 1 644 . 1 1 52 52 ARG HB2 H 1 2.026 0.01 . 1 . . . . . . . . 5623 1 645 . 1 1 52 52 ARG HB3 H 1 1.815 0.01 . 1 . . . . . . . . 5623 1 646 . 1 1 52 52 ARG CG C 13 26.544 0.1 . 1 . . . . . . . . 5623 1 647 . 1 1 52 52 ARG HG2 H 1 1.781 0.01 . 1 . . . . . . . . 5623 1 648 . 1 1 52 52 ARG HG3 H 1 1.675 0.01 . 1 . . . . . . . . 5623 1 649 . 1 1 52 52 ARG CD C 13 43.496 0.1 . 1 . . . . . . . . 5623 1 650 . 1 1 52 52 ARG HD2 H 1 3.265 0.01 . 2 . . . . . . . . 5623 1 651 . 1 1 53 53 ASP H H 1 7.561 0.01 . 1 . . . . . . . . 5623 1 652 . 1 1 53 53 ASP N N 15 114.259 0.1 . 1 . . . . . . . . 5623 1 653 . 1 1 53 53 ASP CA C 13 53.79 0.1 . 1 . . . . . . . . 5623 1 654 . 1 1 53 53 ASP HA H 1 4.761 0.01 . 1 . . . . . . . . 5623 1 655 . 1 1 53 53 ASP C C 13 175.138 0.1 . 1 . . . . . . . . 5623 1 656 . 1 1 53 53 ASP CB C 13 41.159 0.1 . 1 . . . . . . . . 5623 1 657 . 1 1 53 53 ASP HB2 H 1 2.972 0.01 . 1 . . . . . . . . 5623 1 658 . 1 1 53 53 ASP HB3 H 1 2.552 0.01 . 1 . . . . . . . . 5623 1 659 . 1 1 53 53 ASP CG C 13 180.748 0.1 . 1 . . . . . . . . 5623 1 660 . 1 1 54 54 GLY H H 1 7.718 0.01 . 1 . . . . . . . . 5623 1 661 . 1 1 54 54 GLY N N 15 105.008 0.1 . 1 . . . . . . . . 5623 1 662 . 1 1 54 54 GLY CA C 13 44.434 0.1 . 1 . . . . . . . . 5623 1 663 . 1 1 54 54 GLY HA2 H 1 3.802 0.01 . 1 . . . . . . . . 5623 1 664 . 1 1 54 54 GLY HA3 H 1 2.879 0.01 . 1 . . . . . . . . 5623 1 665 . 1 1 54 54 GLY C C 13 168.818 0.1 . 1 . . . . . . . . 5623 1 666 . 1 1 55 55 THR H H 1 5.544 0.01 . 1 . . . . . . . . 5623 1 667 . 1 1 55 55 THR N N 15 109.759 0.1 . 1 . . . . . . . . 5623 1 668 . 1 1 55 55 THR CA C 13 60.028 0.1 . 1 . . . . . . . . 5623 1 669 . 1 1 55 55 THR HA H 1 4.013 0.01 . 1 . . . . . . . . 5623 1 670 . 1 1 55 55 THR C C 13 168.302 0.1 . 1 . . . . . . . . 5623 1 671 . 1 1 55 55 THR CB C 13 67.201 0.1 . 1 . . . . . . . . 5623 1 672 . 1 1 55 55 THR HB H 1 3.534 0.01 . 1 . . . . . . . . 5623 1 673 . 1 1 55 55 THR CG2 C 13 19.822 0.1 . 1 . . . . . . . . 5623 1 674 . 1 1 55 55 THR HG21 H 1 0.0030 0.01 . 1 . . . . . . . . 5623 1 675 . 1 1 55 55 THR HG22 H 1 0.0030 0.01 . 1 . . . . . . . . 5623 1 676 . 1 1 55 55 THR HG23 H 1 0.0030 0.01 . 1 . . . . . . . . 5623 1 677 . 1 1 56 56 PHE H H 1 8.187 0.01 . 1 . . . . . . . . 5623 1 678 . 1 1 56 56 PHE N N 15 118.51 0.1 . 1 . . . . . . . . 5623 1 679 . 1 1 56 56 PHE CA C 13 55.817 0.1 . 1 . . . . . . . . 5623 1 680 . 1 1 56 56 PHE HA H 1 5.205 0.01 . 1 . . . . . . . . 5623 1 681 . 1 1 56 56 PHE C C 13 174.751 0.1 . 1 . . . . . . . . 5623 1 682 . 1 1 56 56 PHE CB C 13 39.132 0.1 . 1 . . . . . . . . 5623 1 683 . 1 1 56 56 PHE HB2 H 1 3.51 0.01 . 1 . . . . . . . . 5623 1 684 . 1 1 56 56 PHE HB3 H 1 2.645 0.01 . 1 . . . . . . . . 5623 1 685 . 1 1 56 56 PHE CD1 C 13 131.568 0.1 . 1 . . . . . . . . 5623 1 686 . 1 1 56 56 PHE HD1 H 1 7.285 0.01 . 2 . . . . . . . . 5623 1 687 . 1 1 56 56 PHE CD2 C 13 131.568 0.1 . 1 . . . . . . . . 5623 1 688 . 1 1 56 56 PHE CE1 C 13 130.691 0.1 . 1 . . . . . . . . 5623 1 689 . 1 1 56 56 PHE HE1 H 1 7.16 0.01 . 2 . . . . . . . . 5623 1 690 . 1 1 56 56 PHE CE2 C 13 130.691 0.1 . 1 . . . . . . . . 5623 1 691 . 1 1 56 56 PHE CZ C 13 128.497 0.1 . 1 . . . . . . . . 5623 1 692 . 1 1 56 56 PHE HZ H 1 7.26 0.01 . 1 . . . . . . . . 5623 1 693 . 1 1 57 57 ASN H H 1 8.72 0.01 . 1 . . . . . . . . 5623 1 694 . 1 1 57 57 ASN N N 15 121.51 0.1 . 1 . . . . . . . . 5623 1 695 . 1 1 57 57 ASN CA C 13 54.102 0.1 . 1 . . . . . . . . 5623 1 696 . 1 1 57 57 ASN HA H 1 4.48 0.01 . 1 . . . . . . . . 5623 1 697 . 1 1 57 57 ASN C C 13 176.299 0.1 . 1 . . . . . . . . 5623 1 698 . 1 1 57 57 ASN CB C 13 39.288 0.1 . 1 . . . . . . . . 5623 1 699 . 1 1 57 57 ASN HB2 H 1 2.864 0.01 . 1 . . . . . . . . 5623 1 700 . 1 1 57 57 ASN HB3 H 1 2.777 0.01 . 1 . . . . . . . . 5623 1 701 . 1 1 57 57 ASN CG C 13 176.299 0.1 . 1 . . . . . . . . 5623 1 702 . 1 1 57 57 ASN ND2 N 15 113.259 0.01 . 1 . . . . . . . . 5623 1 703 . 1 1 57 57 ASN HD21 H 1 7.749 0.01 . 1 . . . . . . . . 5623 1 704 . 1 1 57 57 ASN HD22 H 1 7.343 0.01 . 1 . . . . . . . . 5623 1 705 . 1 1 58 58 ARG H H 1 8.923 0.01 . 1 . . . . . . . . 5623 1 706 . 1 1 58 58 ARG N N 15 127.761 0.1 . 1 . . . . . . . . 5623 1 707 . 1 1 58 58 ARG CA C 13 59.716 0.1 . 1 . . . . . . . . 5623 1 708 . 1 1 58 58 ARG HA H 1 3.841 0.01 . 1 . . . . . . . . 5623 1 709 . 1 1 58 58 ARG C C 13 178.169 0.1 . 1 . . . . . . . . 5623 1 710 . 1 1 58 58 ARG CB C 13 30.061 0.1 . 1 . . . . . . . . 5623 1 711 . 1 1 58 58 ARG HB2 H 1 1.97 0.01 . 1 . . . . . . . . 5623 1 712 . 1 1 58 58 ARG HB3 H 1 1.835 0.01 . 1 . . . . . . . . 5623 1 713 . 1 1 58 58 ARG CG C 13 27.944 0.1 . 1 . . . . . . . . 5623 1 714 . 1 1 58 58 ARG HG2 H 1 1.859 0.01 . 1 . . . . . . . . 5623 1 715 . 1 1 58 58 ARG HG3 H 1 1.301 0.01 . 1 . . . . . . . . 5623 1 716 . 1 1 58 58 ARG CD C 13 43.186 0.1 . 1 . . . . . . . . 5623 1 717 . 1 1 58 58 ARG HD2 H 1 2.984 0.01 . 2 . . . . . . . . 5623 1 718 . 1 1 59 59 ASP H H 1 8.282 0.01 . 1 . . . . . . . . 5623 1 719 . 1 1 59 59 ASP N N 15 120.01 0.1 . 1 . . . . . . . . 5623 1 720 . 1 1 59 59 ASP CA C 13 57.533 0.1 . 1 . . . . . . . . 5623 1 721 . 1 1 59 59 ASP HA H 1 4.504 0.01 . 1 . . . . . . . . 5623 1 722 . 1 1 59 59 ASP C C 13 178.749 0.1 . 1 . . . . . . . . 5623 1 723 . 1 1 59 59 ASP CB C 13 39.911 0.1 . 1 . . . . . . . . 5623 1 724 . 1 1 59 59 ASP HB2 H 1 2.856 0.01 . 1 . . . . . . . . 5623 1 725 . 1 1 59 59 ASP HB3 H 1 2.75 0.01 . 1 . . . . . . . . 5623 1 726 . 1 1 59 59 ASP CG C 13 179.587 0.1 . 1 . . . . . . . . 5623 1 727 . 1 1 60 60 LEU H H 1 7.687 0.01 . 1 . . . . . . . . 5623 1 728 . 1 1 60 60 LEU N N 15 121.01 0.1 . 1 . . . . . . . . 5623 1 729 . 1 1 60 60 LEU CA C 13 57.688 0.1 . 1 . . . . . . . . 5623 1 730 . 1 1 60 60 LEU HA H 1 4.153 0.01 . 1 . . . . . . . . 5623 1 731 . 1 1 60 60 LEU C C 13 179.523 0.1 . 1 . . . . . . . . 5623 1 732 . 1 1 60 60 LEU CB C 13 42.095 0.1 . 1 . . . . . . . . 5623 1 733 . 1 1 60 60 LEU HB2 H 1 1.92 0.01 . 1 . . . . . . . . 5623 1 734 . 1 1 60 60 LEU HB3 H 1 1.361 0.01 . 1 . . . . . . . . 5623 1 735 . 1 1 60 60 LEU CG C 13 27.169 0.1 . 1 . . . . . . . . 5623 1 736 . 1 1 60 60 LEU CD1 C 13 25.371 0.1 . 1 . . . . . . . . 5623 1 737 . 1 1 60 60 LEU HD11 H 1 0.88 0.01 . 1 . . . . . . . . 5623 1 738 . 1 1 60 60 LEU HD12 H 1 0.88 0.01 . 1 . . . . . . . . 5623 1 739 . 1 1 60 60 LEU HD13 H 1 0.88 0.01 . 1 . . . . . . . . 5623 1 740 . 1 1 60 60 LEU CD2 C 13 22.636 0.1 . 1 . . . . . . . . 5623 1 741 . 1 1 60 60 LEU HD21 H 1 0.88 0.01 . 1 . . . . . . . . 5623 1 742 . 1 1 60 60 LEU HD22 H 1 0.88 0.01 . 1 . . . . . . . . 5623 1 743 . 1 1 60 60 LEU HD23 H 1 0.88 0.01 . 1 . . . . . . . . 5623 1 744 . 1 1 60 60 LEU HG H 1 1.663 0.01 . 1 . . . . . . . . 5623 1 745 . 1 1 61 61 ILE H H 1 8.03 0.01 . 1 . . . . . . . . 5623 1 746 . 1 1 61 61 ILE N N 15 119.76 0.1 . 1 . . . . . . . . 5623 1 747 . 1 1 61 61 ILE CA C 13 65.485 0.1 . 1 . . . . . . . . 5623 1 748 . 1 1 61 61 ILE HA H 1 3.686 0.01 . 1 . . . . . . . . 5623 1 749 . 1 1 61 61 ILE C C 13 177.846 0.1 . 1 . . . . . . . . 5623 1 750 . 1 1 61 61 ILE CB C 13 38.196 0.1 . 1 . . . . . . . . 5623 1 751 . 1 1 61 61 ILE HB H 1 2.016 0.01 . 1 . . . . . . . . 5623 1 752 . 1 1 61 61 ILE CG2 C 13 16.227 0.1 . 1 . . . . . . . . 5623 1 753 . 1 1 61 61 ILE HG21 H 1 0.915 0.01 . 1 . . . . . . . . 5623 1 754 . 1 1 61 61 ILE HG22 H 1 0.915 0.01 . 1 . . . . . . . . 5623 1 755 . 1 1 61 61 ILE HG23 H 1 0.915 0.01 . 1 . . . . . . . . 5623 1 756 . 1 1 61 61 ILE CG1 C 13 31.311 0.1 . 1 . . . . . . . . 5623 1 757 . 1 1 61 61 ILE HG12 H 1 1.971 0.01 . 1 . . . . . . . . 5623 1 758 . 1 1 61 61 ILE HG13 H 1 1.277 0.01 . 1 . . . . . . . . 5623 1 759 . 1 1 61 61 ILE CD1 C 13 14.664 0.1 . 1 . . . . . . . . 5623 1 760 . 1 1 61 61 ILE HD11 H 1 1.125 0.01 . 1 . . . . . . . . 5623 1 761 . 1 1 61 61 ILE HD12 H 1 1.125 0.01 . 1 . . . . . . . . 5623 1 762 . 1 1 61 61 ILE HD13 H 1 1.125 0.01 . 1 . . . . . . . . 5623 1 763 . 1 1 62 62 THR H H 1 8.281 0.01 . 1 . . . . . . . . 5623 1 764 . 1 1 62 62 THR N N 15 116.26 0.1 . 1 . . . . . . . . 5623 1 765 . 1 1 62 62 THR CA C 13 67.045 0.1 . 1 . . . . . . . . 5623 1 766 . 1 1 62 62 THR HA H 1 3.767 0.01 . 1 . . . . . . . . 5623 1 767 . 1 1 62 62 THR C C 13 175.267 0.1 . 1 . . . . . . . . 5623 1 768 . 1 1 62 62 THR CB C 13 68.448 0.1 . 1 . . . . . . . . 5623 1 769 . 1 1 62 62 THR HB H 1 4.434 0.01 . 1 . . . . . . . . 5623 1 770 . 1 1 62 62 THR CG2 C 13 21.542 0.1 . 1 . . . . . . . . 5623 1 771 . 1 1 62 62 THR HG21 H 1 1.231 0.01 . 1 . . . . . . . . 5623 1 772 . 1 1 62 62 THR HG22 H 1 1.231 0.01 . 1 . . . . . . . . 5623 1 773 . 1 1 62 62 THR HG23 H 1 1.231 0.01 . 1 . . . . . . . . 5623 1 774 . 1 1 63 63 GLN H H 1 7.75 0.01 . 1 . . . . . . . . 5623 1 775 . 1 1 63 63 GLN N N 15 118.01 0.1 . 1 . . . . . . . . 5623 1 776 . 1 1 63 63 GLN CA C 13 58.936 0.1 . 1 . . . . . . . . 5623 1 777 . 1 1 63 63 GLN HA H 1 3.966 0.01 . 1 . . . . . . . . 5623 1 778 . 1 1 63 63 GLN C C 13 179.523 0.1 . 1 . . . . . . . . 5623 1 779 . 1 1 63 63 GLN CB C 13 28.341 0.1 . 1 . . . . . . . . 5623 1 780 . 1 1 63 63 GLN HB2 H 1 2.189 0.01 . 2 . . . . . . . . 5623 1 781 . 1 1 63 63 GLN CG C 13 33.674 0.1 . 1 . . . . . . . . 5623 1 782 . 1 1 63 63 GLN HG2 H 1 2.633 0.01 . 2 . . . . . . . . 5623 1 783 . 1 1 63 63 GLN CD C 13 179.523 0.1 . 1 . . . . . . . . 5623 1 784 . 1 1 63 63 GLN NE2 N 15 114.509 0.1 . 1 . . . . . . . . 5623 1 785 . 1 1 63 63 GLN HE21 H 1 7.582 0.01 . 1 . . . . . . . . 5623 1 786 . 1 1 63 63 GLN HE22 H 1 6.904 0.01 . 1 . . . . . . . . 5623 1 787 . 1 1 64 64 VAL H H 1 7.593 0.01 . 1 . . . . . . . . 5623 1 788 . 1 1 64 64 VAL N N 15 119.51 0.1 . 1 . . . . . . . . 5623 1 789 . 1 1 64 64 VAL CA C 13 67.201 0.1 . 1 . . . . . . . . 5623 1 790 . 1 1 64 64 VAL HA H 1 3.3 0.01 . 1 . . . . . . . . 5623 1 791 . 1 1 64 64 VAL C C 13 177.072 0.1 . 1 . . . . . . . . 5623 1 792 . 1 1 64 64 VAL CB C 13 30.921 0.1 . 1 . . . . . . . . 5623 1 793 . 1 1 64 64 VAL HB H 1 1.406 0.01 . 1 . . . . . . . . 5623 1 794 . 1 1 64 64 VAL CG1 C 13 19.588 0.1 . 1 . . . . . . . . 5623 1 795 . 1 1 64 64 VAL HG11 H 1 -0.952 0.01 . 1 . . . . . . . . 5623 1 796 . 1 1 64 64 VAL HG12 H 1 -0.952 0.01 . 1 . . . . . . . . 5623 1 797 . 1 1 64 64 VAL HG13 H 1 -0.952 0.01 . 1 . . . . . . . . 5623 1 798 . 1 1 64 64 VAL CG2 C 13 24.668 0.1 . 1 . . . . . . . . 5623 1 799 . 1 1 64 64 VAL HG21 H 1 0.529 0.01 . 1 . . . . . . . . 5623 1 800 . 1 1 64 64 VAL HG22 H 1 0.529 0.01 . 1 . . . . . . . . 5623 1 801 . 1 1 64 64 VAL HG23 H 1 0.529 0.01 . 1 . . . . . . . . 5623 1 802 . 1 1 65 65 LYS H H 1 8.61 0.01 . 1 . . . . . . . . 5623 1 803 . 1 1 65 65 LYS N N 15 121.76 0.1 . 1 . . . . . . . . 5623 1 804 . 1 1 65 65 LYS CA C 13 61.275 0.1 . 1 . . . . . . . . 5623 1 805 . 1 1 65 65 LYS HA H 1 3.557 0.01 . 1 . . . . . . . . 5623 1 806 . 1 1 65 65 LYS C C 13 177.717 0.1 . 1 . . . . . . . . 5623 1 807 . 1 1 65 65 LYS CB C 13 32.894 0.1 . 1 . . . . . . . . 5623 1 808 . 1 1 65 65 LYS HB2 H 1 2.084 0.01 . 1 . . . . . . . . 5623 1 809 . 1 1 65 65 LYS HB3 H 1 1.628 0.01 . 1 . . . . . . . . 5623 1 810 . 1 1 65 65 LYS CG C 13 26.544 0.1 . 1 . . . . . . . . 5623 1 811 . 1 1 65 65 LYS HG2 H 1 1.079 0.01 . 2 . . . . . . . . 5623 1 812 . 1 1 65 65 LYS CD C 13 29.983 0.1 . 1 . . . . . . . . 5623 1 813 . 1 1 65 65 LYS HD2 H 1 1.394 0.01 . 2 . . . . . . . . 5623 1 814 . 1 1 65 65 LYS CE C 13 41.939 0.1 . 1 . . . . . . . . 5623 1 815 . 1 1 65 65 LYS HE2 H 1 2.388 0.01 . 1 . . . . . . . . 5623 1 816 . 1 1 65 65 LYS HE3 H 1 2.248 0.01 . 1 . . . . . . . . 5623 1 817 . 1 1 66 66 ILE H H 1 8.328 0.01 . 1 . . . . . . . . 5623 1 818 . 1 1 66 66 ILE N N 15 117.51 0.1 . 1 . . . . . . . . 5623 1 819 . 1 1 66 66 ILE CA C 13 65.018 0.1 . 1 . . . . . . . . 5623 1 820 . 1 1 66 66 ILE HA H 1 3.604 0.01 . 1 . . . . . . . . 5623 1 821 . 1 1 66 66 ILE C C 13 179.265 0.1 . 1 . . . . . . . . 5623 1 822 . 1 1 66 66 ILE CB C 13 38.352 0.1 . 1 . . . . . . . . 5623 1 823 . 1 1 66 66 ILE HB H 1 1.792 0.01 . 1 . . . . . . . . 5623 1 824 . 1 1 66 66 ILE CG2 C 13 17.008 0.1 . 1 . . . . . . . . 5623 1 825 . 1 1 66 66 ILE HG21 H 1 0.845 0.01 . 1 . . . . . . . . 5623 1 826 . 1 1 66 66 ILE HG22 H 1 0.845 0.01 . 1 . . . . . . . . 5623 1 827 . 1 1 66 66 ILE HG23 H 1 0.845 0.01 . 1 . . . . . . . . 5623 1 828 . 1 1 66 66 ILE CG1 C 13 29.279 0.1 . 1 . . . . . . . . 5623 1 829 . 1 1 66 66 ILE HG12 H 1 1.757 0.01 . 1 . . . . . . . . 5623 1 830 . 1 1 66 66 ILE HG13 H 1 1.044 0.01 . 1 . . . . . . . . 5623 1 831 . 1 1 66 66 ILE CD1 C 13 13.569 0.1 . 1 . . . . . . . . 5623 1 832 . 1 1 66 66 ILE HD11 H 1 0.786 0.01 . 1 . . . . . . . . 5623 1 833 . 1 1 66 66 ILE HD12 H 1 0.786 0.01 . 1 . . . . . . . . 5623 1 834 . 1 1 66 66 ILE HD13 H 1 0.786 0.01 . 1 . . . . . . . . 5623 1 835 . 1 1 67 67 LYS H H 1 6.965 0.01 . 1 . . . . . . . . 5623 1 836 . 1 1 67 67 LYS N N 15 118.01 0.1 . 1 . . . . . . . . 5623 1 837 . 1 1 67 67 LYS CA C 13 58.156 0.1 . 1 . . . . . . . . 5623 1 838 . 1 1 67 67 LYS HA H 1 3.966 0.01 . 1 . . . . . . . . 5623 1 839 . 1 1 67 67 LYS C C 13 179.845 0.1 . 1 . . . . . . . . 5623 1 840 . 1 1 67 67 LYS CB C 13 32.015 0.1 . 1 . . . . . . . . 5623 1 841 . 1 1 67 67 LYS HB2 H 1 1.945 0.01 . 1 . . . . . . . . 5623 1 842 . 1 1 67 67 LYS HB3 H 1 1.338 0.01 . 1 . . . . . . . . 5623 1 843 . 1 1 67 67 LYS CG C 13 24.902 0.1 . 1 . . . . . . . . 5623 1 844 . 1 1 67 67 LYS HG2 H 1 1.383 0.01 . 1 . . . . . . . . 5623 1 845 . 1 1 67 67 LYS HG3 H 1 1.231 0.01 . 1 . . . . . . . . 5623 1 846 . 1 1 67 67 LYS CD C 13 28.185 0.1 . 1 . . . . . . . . 5623 1 847 . 1 1 67 67 LYS HD2 H 1 1.429 0.01 . 2 . . . . . . . . 5623 1 848 . 1 1 67 67 LYS CE C 13 41.939 0.1 . 1 . . . . . . . . 5623 1 849 . 1 1 67 67 LYS HE2 H 1 2.832 0.01 . 1 . . . . . . . . 5623 1 850 . 1 1 68 68 VAL H H 1 8.688 0.01 . 1 . . . . . . . . 5623 1 851 . 1 1 68 68 VAL N N 15 120.01 0.1 . 1 . . . . . . . . 5623 1 852 . 1 1 68 68 VAL CA C 13 67.045 0.1 . 1 . . . . . . . . 5623 1 853 . 1 1 68 68 VAL HA H 1 3.545 0.01 . 1 . . . . . . . . 5623 1 854 . 1 1 68 68 VAL C C 13 177.653 0.1 . 1 . . . . . . . . 5623 1 855 . 1 1 68 68 VAL CB C 13 32.107 0.1 . 1 . . . . . . . . 5623 1 856 . 1 1 68 68 VAL HB H 1 2.189 0.01 . 1 . . . . . . . . 5623 1 857 . 1 1 68 68 VAL CG1 C 13 22.401 0.1 . 1 . . . . . . . . 5623 1 858 . 1 1 68 68 VAL HG11 H 1 0.88 0.01 . 1 . . . . . . . . 5623 1 859 . 1 1 68 68 VAL HG12 H 1 0.88 0.01 . 1 . . . . . . . . 5623 1 860 . 1 1 68 68 VAL HG13 H 1 0.88 0.01 . 1 . . . . . . . . 5623 1 861 . 1 1 68 68 VAL CG2 C 13 23.652 0.1 . 1 . . . . . . . . 5623 1 862 . 1 1 68 68 VAL HG21 H 1 1.02 0.01 . 1 . . . . . . . . 5623 1 863 . 1 1 68 68 VAL HG22 H 1 1.02 0.01 . 1 . . . . . . . . 5623 1 864 . 1 1 68 68 VAL HG23 H 1 1.02 0.01 . 1 . . . . . . . . 5623 1 865 . 1 1 69 69 PHE H H 1 8.657 0.01 . 1 . . . . . . . . 5623 1 866 . 1 1 69 69 PHE N N 15 117.51 0.1 . 1 . . . . . . . . 5623 1 867 . 1 1 69 69 PHE CA C 13 59.248 0.1 . 1 . . . . . . . . 5623 1 868 . 1 1 69 69 PHE HA H 1 4.155 0.01 . 1 . . . . . . . . 5623 1 869 . 1 1 69 69 PHE C C 13 174.880 0.1 . 1 . . . . . . . . 5623 1 870 . 1 1 69 69 PHE CB C 13 38.508 0.1 . 1 . . . . . . . . 5623 1 871 . 1 1 69 69 PHE HB2 H 1 3.288 0.01 . 1 . . . . . . . . 5623 1 872 . 1 1 69 69 PHE HB3 H 1 3.031 0.01 . 1 . . . . . . . . 5623 1 873 . 1 1 69 69 PHE CD1 C 13 131.568 0.1 . 1 . . . . . . . . 5623 1 874 . 1 1 69 69 PHE HD1 H 1 7.43 0.01 . 2 . . . . . . . . 5623 1 875 . 1 1 69 69 PHE CD2 C 13 131.568 0.1 . 1 . . . . . . . . 5623 1 876 . 1 1 69 69 PHE CE1 C 13 130.801 0.1 . 1 . . . . . . . . 5623 1 877 . 1 1 69 69 PHE HE1 H 1 7.195 0.01 . 2 . . . . . . . . 5623 1 878 . 1 1 69 69 PHE CE2 C 13 130.801 0.1 . 1 . . . . . . . . 5623 1 879 . 1 1 70 70 SER H H 1 7.092 0.01 . 1 . . . . . . . . 5623 1 880 . 1 1 70 70 SER N N 15 117.51 0.1 . 1 . . . . . . . . 5623 1 881 . 1 1 70 70 SER CA C 13 58.156 0.1 . 1 . . . . . . . . 5623 1 882 . 1 1 70 70 SER HA H 1 4.551 0.01 . 1 . . . . . . . . 5623 1 883 . 1 1 70 70 SER C C 13 172.042 0.1 . 1 . . . . . . . . 5623 1 884 . 1 1 70 70 SER CB C 13 63.614 0.1 . 1 . . . . . . . . 5623 1 885 . 1 1 70 70 SER HB2 H 1 3.836 0.01 . 1 . . . . . . . . 5623 1 886 . 1 1 70 70 SER HB3 H 1 3.686 0.01 . 1 . . . . . . . . 5623 1 887 . 1 1 71 71 PRO N N 15 137.588 0.1 . 1 . . . . . . . . 5623 1 888 . 1 1 71 71 PRO CA C 13 62.834 0.1 . 1 . . . . . . . . 5623 1 889 . 1 1 71 71 PRO HA H 1 4.489 0.01 . 1 . . . . . . . . 5623 1 890 . 1 1 71 71 PRO C C 13 177.588 0.1 . 1 . . . . . . . . 5623 1 891 . 1 1 71 71 PRO CB C 13 32.015 0.1 . 1 . . . . . . . . 5623 1 892 . 1 1 71 71 PRO HB2 H 1 2.294 0.01 . 1 . . . . . . . . 5623 1 893 . 1 1 71 71 PRO HB3 H 1 1.92 0.01 . 1 . . . . . . . . 5623 1 894 . 1 1 71 71 PRO CG C 13 27.325 0.1 . 1 . . . . . . . . 5623 1 895 . 1 1 71 71 PRO HG2 H 1 2.061 0.01 . 2 . . . . . . . . 5623 1 896 . 1 1 71 71 PRO CD C 13 50.515 0.1 . 1 . . . . . . . . 5623 1 897 . 1 1 71 71 PRO HD2 H 1 3.888 0.01 . 1 . . . . . . . . 5623 1 898 . 1 1 71 71 PRO HD3 H 1 3.721 0.01 . 1 . . . . . . . . 5623 1 899 . 1 1 72 72 GLY H H 1 8.359 0.01 . 1 . . . . . . . . 5623 1 900 . 1 1 72 72 GLY N N 15 108.759 0.1 . 1 . . . . . . . . 5623 1 901 . 1 1 72 72 GLY CA C 13 44.746 0.1 . 1 . . . . . . . . 5623 1 902 . 1 1 72 72 GLY HA2 H 1 4.223 0.01 . 1 . . . . . . . . 5623 1 903 . 1 1 72 72 GLY HA3 H 1 3.851 0.01 . 1 . . . . . . . . 5623 1 904 . 1 1 72 72 GLY C C 13 173.719 0.1 . 1 . . . . . . . . 5623 1 905 . 1 1 73 73 PRO CA C 13 63.77 0.1 . 1 . . . . . . . . 5623 1 906 . 1 1 73 73 PRO HA H 1 4.317 0.01 . 1 . . . . . . . . 5623 1 907 . 1 1 73 73 PRO C C 13 176.943 0.1 . 1 . . . . . . . . 5623 1 908 . 1 1 73 73 PRO CB C 13 31.958 0.1 . 1 . . . . . . . . 5623 1 909 . 1 1 73 73 PRO HB2 H 1 2.189 0.01 . 1 . . . . . . . . 5623 1 910 . 1 1 73 73 PRO HB3 H 1 1.593 0.01 . 1 . . . . . . . . 5623 1 911 . 1 1 73 73 PRO CG C 13 26.544 0.1 . 1 . . . . . . . . 5623 1 912 . 1 1 73 73 PRO HG2 H 1 1.909 0.01 . 1 . . . . . . . . 5623 1 913 . 1 1 73 73 PRO HG3 H 1 1.472 0.01 . 1 . . . . . . . . 5623 1 914 . 1 1 73 73 PRO CD C 13 50.047 0.1 . 1 . . . . . . . . 5623 1 915 . 1 1 73 73 PRO HD2 H 1 3.674 0.01 . 1 . . . . . . . . 5623 1 916 . 1 1 73 73 PRO HD3 H 1 3.545 0.01 . 1 . . . . . . . . 5623 1 917 . 1 1 74 74 HIS H H 1 8.032 0.01 . 1 . . . . . . . . 5623 1 918 . 1 1 74 74 HIS N N 15 115.51 0.1 . 1 . . . . . . . . 5623 1 919 . 1 1 74 74 HIS CA C 13 55.349 0.1 . 1 . . . . . . . . 5623 1 920 . 1 1 74 74 HIS HA H 1 4.609 0.01 . 1 . . . . . . . . 5623 1 921 . 1 1 74 74 HIS C C 13 173.139 0.1 . 1 . . . . . . . . 5623 1 922 . 1 1 74 74 HIS CB C 13 29.514 0.1 . 1 . . . . . . . . 5623 1 923 . 1 1 74 74 HIS HB2 H 1 3.22 0.01 . 1 . . . . . . . . 5623 1 924 . 1 1 74 74 HIS HB3 H 1 2.937 0.01 . 1 . . . . . . . . 5623 1 925 . 1 1 74 74 HIS CD2 C 13 119.503 0.1 . 1 . . . . . . . . 5623 1 926 . 1 1 74 74 HIS HD2 H 1 7.096 0.01 . 1 . . . . . . . . 5623 1 927 . 1 1 74 74 HIS CE1 C 13 138.479 0.1 . 1 . . . . . . . . 5623 1 928 . 1 1 74 74 HIS HE1 H 1 8.016 0.01 . 1 . . . . . . . . 5623 1 929 . 1 1 75 75 GLY H H 1 7.133 0.01 . 1 . . . . . . . . 5623 1 930 . 1 1 75 75 GLY N N 15 105.758 0.1 . 1 . . . . . . . . 5623 1 931 . 1 1 75 75 GLY CA C 13 44.278 0.1 . 1 . . . . . . . . 5623 1 932 . 1 1 75 75 GLY HA2 H 1 4.247 0.01 . 1 . . . . . . . . 5623 1 933 . 1 1 75 75 GLY HA3 H 1 4.06 0.01 . 1 . . . . . . . . 5623 1 934 . 1 1 75 75 GLY C C 13 173.139 0.1 . 1 . . . . . . . . 5623 1 935 . 1 1 76 76 HIS H H 1 8.297 0.01 . 1 . . . . . . . . 5623 1 936 . 1 1 76 76 HIS N N 15 112.259 0.1 . 1 . . . . . . . . 5623 1 937 . 1 1 76 76 HIS CA C 13 52.231 0.1 . 1 . . . . . . . . 5623 1 938 . 1 1 76 76 HIS HA H 1 5.229 0.01 . 1 . . . . . . . . 5623 1 939 . 1 1 76 76 HIS C C 13 172.494 0.1 . 1 . . . . . . . . 5623 1 940 . 1 1 76 76 HIS CB C 13 30.764 0.1 . 1 . . . . . . . . 5623 1 941 . 1 1 76 76 HIS HB2 H 1 2.844 0.01 . 2 . . . . . . . . 5623 1 942 . 1 1 76 76 HIS CD2 C 13 119.613 0.1 . 1 . . . . . . . . 5623 1 943 . 1 1 76 76 HIS HD2 H 1 6.754 0.01 . 1 . . . . . . . . 5623 1 944 . 1 1 76 76 HIS CE1 C 13 137.163 0.1 . 1 . . . . . . . . 5623 1 945 . 1 1 76 76 HIS HE1 H 1 8.537 0.01 . 1 . . . . . . . . 5623 1 946 . 1 1 77 77 PRO N N 15 139.328 0.1 . 1 . . . . . . . . 5623 1 947 . 1 1 77 77 PRO CA C 13 65.485 0.1 . 1 . . . . . . . . 5623 1 948 . 1 1 77 77 PRO HA H 1 4.282 0.01 . 1 . . . . . . . . 5623 1 949 . 1 1 77 77 PRO C C 13 178.813 0.1 . 1 . . . . . . . . 5623 1 950 . 1 1 77 77 PRO CB C 13 31.624 0.1 . 1 . . . . . . . . 5623 1 951 . 1 1 77 77 PRO HB2 H 1 2.388 0.01 . 1 . . . . . . . . 5623 1 952 . 1 1 77 77 PRO HB3 H 1 2.01 0.01 . 1 . . . . . . . . 5623 1 953 . 1 1 77 77 PRO CG C 13 27.238 0.1 . 1 . . . . . . . . 5623 1 954 . 1 1 77 77 PRO HG2 H 1 2.113 0.01 . 2 . . . . . . . . 5623 1 955 . 1 1 77 77 PRO CD C 13 49.829 0.1 . 1 . . . . . . . . 5623 1 956 . 1 1 77 77 PRO HD2 H 1 3.779 0.01 . 1 . . . . . . . . 5623 1 957 . 1 1 77 77 PRO HD3 H 1 3.557 0.01 . 1 . . . . . . . . 5623 1 958 . 1 1 78 78 ASP H H 1 9.142 0.01 . 1 . . . . . . . . 5623 1 959 . 1 1 78 78 ASP N N 15 114.759 0.1 . 1 . . . . . . . . 5623 1 960 . 1 1 78 78 ASP CA C 13 55.349 0.1 . 1 . . . . . . . . 5623 1 961 . 1 1 78 78 ASP HA H 1 4.516 0.01 . 1 . . . . . . . . 5623 1 962 . 1 1 78 78 ASP C C 13 177.459 0.1 . 1 . . . . . . . . 5623 1 963 . 1 1 78 78 ASP CB C 13 38.976 0.1 . 1 . . . . . . . . 5623 1 964 . 1 1 78 78 ASP HB2 H 1 2.914 0.01 . 2 . . . . . . . . 5623 1 965 . 1 1 79 79 GLN H H 1 8.078 0.01 . 1 . . . . . . . . 5623 1 966 . 1 1 79 79 GLN N N 15 117.26 0.1 . 1 . . . . . . . . 5623 1 967 . 1 1 79 79 GLN CA C 13 55.817 0.1 . 1 . . . . . . . . 5623 1 968 . 1 1 79 79 GLN HA H 1 4.34 0.01 . 1 . . . . . . . . 5623 1 969 . 1 1 79 79 GLN C C 13 177.717 0.1 . 1 . . . . . . . . 5623 1 970 . 1 1 79 79 GLN CB C 13 29.357 0.1 . 1 . . . . . . . . 5623 1 971 . 1 1 79 79 GLN HB2 H 1 2.142 0.01 . 2 . . . . . . . . 5623 1 972 . 1 1 79 79 GLN CG C 13 32.415 0.1 . 1 . . . . . . . . 5623 1 973 . 1 1 79 79 GLN HG2 H 1 1.757 0.01 . 2 . . . . . . . . 5623 1 974 . 1 1 79 79 GLN NE2 N 15 108.759 0.1 . 1 . . . . . . . . 5623 1 975 . 1 1 79 79 GLN HE21 H 1 6.857 0.01 . 1 . . . . . . . . 5623 1 976 . 1 1 79 79 GLN HE22 H 1 6.247 0.01 . 1 . . . . . . . . 5623 1 977 . 1 1 80 80 VAL H H 1 7.483 0.01 . 1 . . . . . . . . 5623 1 978 . 1 1 80 80 VAL N N 15 123.511 0.1 . 1 . . . . . . . . 5623 1 979 . 1 1 80 80 VAL CA C 13 68.292 0.1 . 1 . . . . . . . . 5623 1 980 . 1 1 80 80 VAL HA H 1 3.639 0.01 . 1 . . . . . . . . 5623 1 981 . 1 1 80 80 VAL C C 13 173.913 0.1 . 1 . . . . . . . . 5623 1 982 . 1 1 80 80 VAL CB C 13 29.904 0.1 . 1 . . . . . . . . 5623 1 983 . 1 1 80 80 VAL HB H 1 2.388 0.01 . 1 . . . . . . . . 5623 1 984 . 1 1 80 80 VAL CG1 C 13 20.838 0.1 . 1 . . . . . . . . 5623 1 985 . 1 1 80 80 VAL HG11 H 1 0.915 0.01 . 1 . . . . . . . . 5623 1 986 . 1 1 80 80 VAL HG12 H 1 0.915 0.01 . 1 . . . . . . . . 5623 1 987 . 1 1 80 80 VAL HG13 H 1 0.915 0.01 . 1 . . . . . . . . 5623 1 988 . 1 1 80 80 VAL CG2 C 13 23.417 0.1 . 1 . . . . . . . . 5623 1 989 . 1 1 80 80 VAL HG21 H 1 0.482 0.01 . 1 . . . . . . . . 5623 1 990 . 1 1 80 80 VAL HG22 H 1 0.482 0.01 . 1 . . . . . . . . 5623 1 991 . 1 1 80 80 VAL HG23 H 1 0.482 0.01 . 1 . . . . . . . . 5623 1 992 . 1 1 81 81 PRO N N 15 132.575 0.1 . 1 . . . . . . . . 5623 1 993 . 1 1 81 81 PRO CA C 13 65.953 0.1 . 1 . . . . . . . . 5623 1 994 . 1 1 81 81 PRO HA H 1 4.013 0.01 . 1 . . . . . . . . 5623 1 995 . 1 1 81 81 PRO C C 13 176.492 0.1 . 1 . . . . . . . . 5623 1 996 . 1 1 81 81 PRO CB C 13 32.426 0.1 . 1 . . . . . . . . 5623 1 997 . 1 1 81 81 PRO HB2 H 1 2.259 0.01 . 1 . . . . . . . . 5623 1 998 . 1 1 81 81 PRO HB3 H 1 1.652 0.01 . 1 . . . . . . . . 5623 1 999 . 1 1 81 81 PRO CG C 13 28.81 0.1 . 1 . . . . . . . . 5623 1 1000 . 1 1 81 81 PRO HG2 H 1 2.458 0.01 . 1 . . . . . . . . 5623 1 1001 . 1 1 81 81 PRO HG3 H 1 2.25 0.01 . 1 . . . . . . . . 5623 1 1002 . 1 1 81 81 PRO CD C 13 49.736 0.1 . 1 . . . . . . . . 5623 1 1003 . 1 1 81 81 PRO HD2 H 1 3.938 0.01 . 2 . . . . . . . . 5623 1 1004 . 1 1 82 82 TYR H H 1 7.186 0.01 . 1 . . . . . . . . 5623 1 1005 . 1 1 82 82 TYR N N 15 113.759 0.1 . 1 . . . . . . . . 5623 1 1006 . 1 1 82 82 TYR CA C 13 61.275 0.1 . 1 . . . . . . . . 5623 1 1007 . 1 1 82 82 TYR HA H 1 4.317 0.01 . 1 . . . . . . . . 5623 1 1008 . 1 1 82 82 TYR C C 13 177.911 0.1 . 1 . . . . . . . . 5623 1 1009 . 1 1 82 82 TYR CB C 13 37.884 0.1 . 1 . . . . . . . . 5623 1 1010 . 1 1 82 82 TYR HB2 H 1 3.592 0.01 . 2 . . . . . . . . 5623 1 1011 . 1 1 82 82 TYR CD1 C 13 133.289 0.1 . 1 . . . . . . . . 5623 1 1012 . 1 1 82 82 TYR HD1 H 1 7.185 0.01 . 2 . . . . . . . . 5623 1 1013 . 1 1 82 82 TYR CD2 C 13 133.289 0.1 . 1 . . . . . . . . 5623 1 1014 . 1 1 82 82 TYR CE1 C 13 118.406 0.1 . 1 . . . . . . . . 5623 1 1015 . 1 1 82 82 TYR HE1 H 1 6.89 0.01 . 2 . . . . . . . . 5623 1 1016 . 1 1 82 82 TYR CE2 C 13 118.406 0.1 . 1 . . . . . . . . 5623 1 1017 . 1 1 83 83 ILE H H 1 8.281 0.01 . 1 . . . . . . . . 5623 1 1018 . 1 1 83 83 ILE N N 15 119.76 0.1 . 1 . . . . . . . . 5623 1 1019 . 1 1 83 83 ILE CA C 13 59.87 0.1 . 1 . . . . . . . . 5623 1 1020 . 1 1 83 83 ILE HA H 1 4.744 0.01 . 1 . . . . . . . . 5623 1 1021 . 1 1 83 83 ILE C C 13 176.492 0.1 . 1 . . . . . . . . 5623 1 1022 . 1 1 83 83 ILE CB C 13 37.26 0.1 . 1 . . . . . . . . 5623 1 1023 . 1 1 83 83 ILE HB H 1 1.501 0.01 . 1 . . . . . . . . 5623 1 1024 . 1 1 83 83 ILE CG2 C 13 20.994 0.1 . 1 . . . . . . . . 5623 1 1025 . 1 1 83 83 ILE HG21 H 1 1.254 0.01 . 1 . . . . . . . . 5623 1 1026 . 1 1 83 83 ILE HG22 H 1 1.254 0.01 . 1 . . . . . . . . 5623 1 1027 . 1 1 83 83 ILE HG23 H 1 1.254 0.01 . 1 . . . . . . . . 5623 1 1028 . 1 1 83 83 ILE CG1 C 13 29.69 0.1 . 1 . . . . . . . . 5623 1 1029 . 1 1 83 83 ILE HG12 H 1 0.695 0.01 . 1 . . . . . . . . 5623 1 1030 . 1 1 83 83 ILE HG13 H 1 1.1 0.01 . 1 . . . . . . . . 5623 1 1031 . 1 1 83 83 ILE CD1 C 13 13.491 0.1 . 1 . . . . . . . . 5623 1 1032 . 1 1 83 83 ILE HD11 H 1 0.202 0.01 . 1 . . . . . . . . 5623 1 1033 . 1 1 83 83 ILE HD12 H 1 0.202 0.01 . 1 . . . . . . . . 5623 1 1034 . 1 1 83 83 ILE HD13 H 1 0.202 0.01 . 1 . . . . . . . . 5623 1 1035 . 1 1 84 84 VAL H H 1 8.334 0.01 . 1 . . . . . . . . 5623 1 1036 . 1 1 84 84 VAL N N 15 120.76 0.1 . 1 . . . . . . . . 5623 1 1037 . 1 1 84 84 VAL CA C 13 65.797 0.1 . 1 . . . . . . . . 5623 1 1038 . 1 1 84 84 VAL HA H 1 4.06 0.01 . 1 . . . . . . . . 5623 1 1039 . 1 1 84 84 VAL C C 13 178.556 0.1 . 1 . . . . . . . . 5623 1 1040 . 1 1 84 84 VAL CB C 13 31.624 0.1 . 1 . . . . . . . . 5623 1 1041 . 1 1 84 84 VAL HB H 1 2.376 0.01 . 1 . . . . . . . . 5623 1 1042 . 1 1 84 84 VAL CG1 C 13 21.073 0.1 . 1 . . . . . . . . 5623 1 1043 . 1 1 84 84 VAL HG11 H 1 1.149 0.01 . 1 . . . . . . . . 5623 1 1044 . 1 1 84 84 VAL HG12 H 1 1.149 0.01 . 1 . . . . . . . . 5623 1 1045 . 1 1 84 84 VAL HG13 H 1 1.149 0.01 . 1 . . . . . . . . 5623 1 1046 . 1 1 84 84 VAL CG2 C 13 22.323 0.1 . 1 . . . . . . . . 5623 1 1047 . 1 1 84 84 VAL HG21 H 1 1.277 0.01 . 1 . . . . . . . . 5623 1 1048 . 1 1 84 84 VAL HG22 H 1 1.277 0.01 . 1 . . . . . . . . 5623 1 1049 . 1 1 84 84 VAL HG23 H 1 1.277 0.01 . 1 . . . . . . . . 5623 1 1050 . 1 1 85 85 THR H H 1 7.514 0.01 . 1 . . . . . . . . 5623 1 1051 . 1 1 85 85 THR N N 15 120.01 0.1 . 1 . . . . . . . . 5623 1 1052 . 1 1 85 85 THR CA C 13 68.76 0.1 . 1 . . . . . . . . 5623 1 1053 . 1 1 85 85 THR HA H 1 3.989 0.01 . 1 . . . . . . . . 5623 1 1054 . 1 1 85 85 THR C C 13 176.427 0.1 . 1 . . . . . . . . 5623 1 1055 . 1 1 85 85 THR CB C 13 67.201 0.1 . 1 . . . . . . . . 5623 1 1056 . 1 1 85 85 THR HB H 1 4.703 0.01 . 1 . . . . . . . . 5623 1 1057 . 1 1 85 85 THR CG2 C 13 22.245 0.1 . 1 . . . . . . . . 5623 1 1058 . 1 1 85 85 THR HG21 H 1 1.149 0.01 . 1 . . . . . . . . 5623 1 1059 . 1 1 85 85 THR HG22 H 1 1.149 0.01 . 1 . . . . . . . . 5623 1 1060 . 1 1 85 85 THR HG23 H 1 1.149 0.01 . 1 . . . . . . . . 5623 1 1061 . 1 1 86 86 TRP H H 1 8.453 0.01 . 1 . . . . . . . . 5623 1 1062 . 1 1 86 86 TRP N N 15 122.51 0.1 . 1 . . . . . . . . 5623 1 1063 . 1 1 86 86 TRP CA C 13 63.77 0.1 . 1 . . . . . . . . 5623 1 1064 . 1 1 86 86 TRP HA H 1 4.469 0.01 . 1 . . . . . . . . 5623 1 1065 . 1 1 86 86 TRP C C 13 178.169 0.1 . 1 . . . . . . . . 5623 1 1066 . 1 1 86 86 TRP CB C 13 28.885 0.1 . 1 . . . . . . . . 5623 1 1067 . 1 1 86 86 TRP HB2 H 1 3.519 0.01 . 2 . . . . . . . . 5623 1 1068 . 1 1 86 86 TRP CD1 C 13 128.388 0.1 . 1 . . . . . . . . 5623 1 1069 . 1 1 86 86 TRP HD1 H 1 7.375 0.01 . 1 . . . . . . . . 5623 1 1070 . 1 1 86 86 TRP NE1 N 15 130.011 0.1 . 1 . . . . . . . . 5623 1 1071 . 1 1 86 86 TRP HE1 H 1 8.75 0.01 . 1 . . . . . . . . 5623 1 1072 . 1 1 86 86 TRP CE3 C 13 120.929 0.1 . 1 . . . . . . . . 5623 1 1073 . 1 1 86 86 TRP HE3 H 1 7.93 0.01 . 1 . . . . . . . . 5623 1 1074 . 1 1 86 86 TRP CZ2 C 13 113.032 0.1 . 1 . . . . . . . . 5623 1 1075 . 1 1 86 86 TRP HZ2 H 1 6.985 0.01 . 1 . . . . . . . . 5623 1 1076 . 1 1 86 86 TRP CZ3 C 13 121.478 0.1 . 1 . . . . . . . . 5623 1 1077 . 1 1 86 86 TRP HZ3 H 1 6.395 0.01 . 1 . . . . . . . . 5623 1 1078 . 1 1 86 86 TRP CH2 C 13 122.135 0.1 . 1 . . . . . . . . 5623 1 1079 . 1 1 86 86 TRP HH2 H 1 6.79 0.01 . 1 . . . . . . . . 5623 1 1080 . 1 1 87 87 GLU H H 1 8.578 0.01 . 1 . . . . . . . . 5623 1 1081 . 1 1 87 87 GLU N N 15 116.51 0.1 . 1 . . . . . . . . 5623 1 1082 . 1 1 87 87 GLU CA C 13 60.339 0.1 . 1 . . . . . . . . 5623 1 1083 . 1 1 87 87 GLU HA H 1 4.06 0.01 . 1 . . . . . . . . 5623 1 1084 . 1 1 87 87 GLU C C 13 177.330 0.1 . 1 . . . . . . . . 5623 1 1085 . 1 1 87 87 GLU CB C 13 30.139 0.1 . 1 . . . . . . . . 5623 1 1086 . 1 1 87 87 GLU HB2 H 1 2.341 0.01 . 1 . . . . . . . . 5623 1 1087 . 1 1 87 87 GLU HB3 H 1 1.955 0.01 . 1 . . . . . . . . 5623 1 1088 . 1 1 87 87 GLU CG C 13 36.481 0.1 . 1 . . . . . . . . 5623 1 1089 . 1 1 87 87 GLU HG2 H 1 1.967 0.01 . 2 . . . . . . . . 5623 1 1090 . 1 1 87 87 GLU CD C 13 183.392 0.1 . 1 . . . . . . . . 5623 1 1091 . 1 1 88 88 ALA H H 1 7.911 0.01 . 1 . . . . . . . . 5623 1 1092 . 1 1 88 88 ALA N N 15 121.76 0.1 . 1 . . . . . . . . 5623 1 1093 . 1 1 88 88 ALA CA C 13 55.193 0.1 . 1 . . . . . . . . 5623 1 1094 . 1 1 88 88 ALA HA H 1 4.2 0.01 . 1 . . . . . . . . 5623 1 1095 . 1 1 88 88 ALA C C 13 180.684 0.1 . 1 . . . . . . . . 5623 1 1096 . 1 1 88 88 ALA CB C 13 18.024 0.1 . 1 . . . . . . . . 5623 1 1097 . 1 1 88 88 ALA HB1 H 1 1.511 0.01 . 1 . . . . . . . . 5623 1 1098 . 1 1 88 88 ALA HB2 H 1 1.511 0.01 . 1 . . . . . . . . 5623 1 1099 . 1 1 88 88 ALA HB3 H 1 1.511 0.01 . 1 . . . . . . . . 5623 1 1100 . 1 1 89 89 LEU H H 1 8.156 0.01 . 1 . . . . . . . . 5623 1 1101 . 1 1 89 89 LEU N N 15 118.01 0.1 . 1 . . . . . . . . 5623 1 1102 . 1 1 89 89 LEU CA C 13 57.688 0.1 . 1 . . . . . . . . 5623 1 1103 . 1 1 89 89 LEU HA H 1 3.838 0.01 . 1 . . . . . . . . 5623 1 1104 . 1 1 89 89 LEU C C 13 176.041 0.1 . 1 . . . . . . . . 5623 1 1105 . 1 1 89 89 LEU CB C 13 42.562 0.1 . 1 . . . . . . . . 5623 1 1106 . 1 1 89 89 LEU HB2 H 1 2.47 0.01 . 1 . . . . . . . . 5623 1 1107 . 1 1 89 89 LEU HB3 H 1 1.196 0.01 . 1 . . . . . . . . 5623 1 1108 . 1 1 89 89 LEU CG C 13 26.778 0.1 . 1 . . . . . . . . 5623 1 1109 . 1 1 89 89 LEU CD1 C 13 26.994 0.1 . 1 . . . . . . . . 5623 1 1110 . 1 1 89 89 LEU HD11 H 1 0.927 0.01 . 1 . . . . . . . . 5623 1 1111 . 1 1 89 89 LEU HD12 H 1 0.927 0.01 . 1 . . . . . . . . 5623 1 1112 . 1 1 89 89 LEU HD13 H 1 0.927 0.01 . 1 . . . . . . . . 5623 1 1113 . 1 1 89 89 LEU CD2 C 13 25.137 0.1 . 1 . . . . . . . . 5623 1 1114 . 1 1 89 89 LEU HD21 H 1 0.705 0.01 . 1 . . . . . . . . 5623 1 1115 . 1 1 89 89 LEU HD22 H 1 0.705 0.01 . 1 . . . . . . . . 5623 1 1116 . 1 1 89 89 LEU HD23 H 1 0.705 0.01 . 1 . . . . . . . . 5623 1 1117 . 1 1 89 89 LEU HG H 1 2.051 0.01 . 1 . . . . . . . . 5623 1 1118 . 1 1 90 90 ALA H H 1 7.765 0.01 . 1 . . . . . . . . 5623 1 1119 . 1 1 90 90 ALA N N 15 115.01 0.1 . 1 . . . . . . . . 5623 1 1120 . 1 1 90 90 ALA CA C 13 53.634 0.1 . 1 . . . . . . . . 5623 1 1121 . 1 1 90 90 ALA HA H 1 4.141 0.01 . 1 . . . . . . . . 5623 1 1122 . 1 1 90 90 ALA C C 13 179.587 0.1 . 1 . . . . . . . . 5623 1 1123 . 1 1 90 90 ALA CB C 13 20.526 0.1 . 1 . . . . . . . . 5623 1 1124 . 1 1 90 90 ALA HB1 H 1 1.687 0.01 . 1 . . . . . . . . 5623 1 1125 . 1 1 90 90 ALA HB2 H 1 1.687 0.01 . 1 . . . . . . . . 5623 1 1126 . 1 1 90 90 ALA HB3 H 1 1.687 0.01 . 1 . . . . . . . . 5623 1 1127 . 1 1 91 91 PHE H H 1 8.766 0.01 . 1 . . . . . . . . 5623 1 1128 . 1 1 91 91 PHE N N 15 117.51 0.1 . 1 . . . . . . . . 5623 1 1129 . 1 1 91 91 PHE CA C 13 59.716 0.1 . 1 . . . . . . . . 5623 1 1130 . 1 1 91 91 PHE HA H 1 4.315 0.01 . 1 . . . . . . . . 5623 1 1131 . 1 1 91 91 PHE C C 13 176.041 0.1 . 1 . . . . . . . . 5623 1 1132 . 1 1 91 91 PHE CB C 13 39.288 0.1 . 1 . . . . . . . . 5623 1 1133 . 1 1 91 91 PHE HB2 H 1 3.288 0.01 . 1 . . . . . . . . 5623 1 1134 . 1 1 91 91 PHE HB3 H 1 3.019 0.01 . 1 . . . . . . . . 5623 1 1135 . 1 1 91 91 PHE CD1 C 13 131.678 0.1 . 1 . . . . . . . . 5623 1 1136 . 1 1 91 91 PHE HD1 H 1 7.405 0.01 . 2 . . . . . . . . 5623 1 1137 . 1 1 91 91 PHE CD2 C 13 131.678 0.1 . 1 . . . . . . . . 5623 1 1138 . 1 1 91 91 PHE CE1 C 13 130.801 0.1 . 1 . . . . . . . . 5623 1 1139 . 1 1 91 91 PHE HE1 H 1 7.34 0.01 . 2 . . . . . . . . 5623 1 1140 . 1 1 91 91 PHE CE2 C 13 130.801 0.1 . 1 . . . . . . . . 5623 1 1141 . 1 1 91 91 PHE CZ C 13 129.594 0.1 . 1 . . . . . . . . 5623 1 1142 . 1 1 91 91 PHE HZ H 1 7.3 0.01 . 1 . . . . . . . . 5623 1 1143 . 1 1 92 92 ASP H H 1 7.568 0.01 . 1 . . . . . . . . 5623 1 1144 . 1 1 92 92 ASP N N 15 118.01 0.1 . 1 . . . . . . . . 5623 1 1145 . 1 1 92 92 ASP CA C 13 50.983 0.1 . 1 . . . . . . . . 5623 1 1146 . 1 1 92 92 ASP HA H 1 4.901 0.01 . 1 . . . . . . . . 5623 1 1147 . 1 1 92 92 ASP C C 13 171.978 0.1 . 1 . . . . . . . . 5623 1 1148 . 1 1 92 92 ASP CB C 13 40.223 0.1 . 1 . . . . . . . . 5623 1 1149 . 1 1 92 92 ASP HB2 H 1 2.856 0.01 . 1 . . . . . . . . 5623 1 1150 . 1 1 92 92 ASP HB3 H 1 2.341 0.01 . 1 . . . . . . . . 5623 1 1151 . 1 1 92 92 ASP CG C 13 181.006 0.1 . 1 . . . . . . . . 5623 1 1152 . 1 1 93 93 PRO N N 15 137.68 0.1 . 1 . . . . . . . . 5623 1 1153 . 1 1 93 93 PRO CA C 13 60.963 0.1 . 1 . . . . . . . . 5623 1 1154 . 1 1 93 93 PRO HA H 1 4.901 0.01 . 1 . . . . . . . . 5623 1 1155 . 1 1 95 95 PRO N N 15 134.222 0.1 . 1 . . . . . . . . 5623 1 1156 . 1 1 95 95 PRO CA C 13 65.832 0.1 . 1 . . . . . . . . 5623 1 1157 . 1 1 95 95 PRO HA H 1 4.061 0.01 . 1 . . . . . . . . 5623 1 1158 . 1 1 95 95 PRO C C 13 176.879 0.1 . 1 . . . . . . . . 5623 1 1159 . 1 1 95 95 PRO CB C 13 31.937 0.1 . 1 . . . . . . . . 5623 1 1160 . 1 1 95 95 PRO HB2 H 1 2.446 0.01 . 1 . . . . . . . . 5623 1 1161 . 1 1 95 95 PRO HB3 H 1 2.061 0.01 . 1 . . . . . . . . 5623 1 1162 . 1 1 95 95 PRO CG C 13 27.872 0.1 . 1 . . . . . . . . 5623 1 1163 . 1 1 95 95 PRO HG2 H 1 2.224 0.01 . 2 . . . . . . . . 5623 1 1164 . 1 1 95 95 PRO CD C 13 50.359 0.1 . 1 . . . . . . . . 5623 1 1165 . 1 1 95 95 PRO HD2 H 1 3.873 0.01 . 1 . . . . . . . . 5623 1 1166 . 1 1 95 95 PRO HD3 H 1 3.721 0.01 . 1 . . . . . . . . 5623 1 1167 . 1 1 96 96 TRP H H 1 6.31 0.01 . 1 . . . . . . . . 5623 1 1168 . 1 1 96 96 TRP N N 15 108.509 0.1 . 1 . . . . . . . . 5623 1 1169 . 1 1 96 96 TRP CA C 13 54.102 0.1 . 1 . . . . . . . . 5623 1 1170 . 1 1 96 96 TRP HA H 1 4.48 0.01 . 1 . . . . . . . . 5623 1 1171 . 1 1 96 96 TRP C C 13 176.299 0.1 . 1 . . . . . . . . 5623 1 1172 . 1 1 96 96 TRP CB C 13 27.403 0.1 . 1 . . . . . . . . 5623 1 1173 . 1 1 96 96 TRP HB2 H 1 2.987 0.01 . 2 . . . . . . . . 5623 1 1174 . 1 1 96 96 TRP CD1 C 13 127.84 0.1 . 1 . . . . . . . . 5623 1 1175 . 1 1 96 96 TRP HD1 H 1 7.33 0.01 . 1 . . . . . . . . 5623 1 1176 . 1 1 96 96 TRP NE1 N 15 134.262 0.1 . 1 . . . . . . . . 5623 1 1177 . 1 1 96 96 TRP HE1 H 1 11.457 0.01 . 1 . . . . . . . . 5623 1 1178 . 1 1 96 96 TRP CE3 C 13 121.916 0.1 . 1 . . . . . . . . 5623 1 1179 . 1 1 96 96 TRP HE3 H 1 6.913 0.01 . 1 . . . . . . . . 5623 1 1180 . 1 1 96 96 TRP CZ2 C 13 113.69 0.1 . 1 . . . . . . . . 5623 1 1181 . 1 1 96 96 TRP HZ2 H 1 7.035 0.01 . 1 . . . . . . . . 5623 1 1182 . 1 1 96 96 TRP CZ3 C 13 120.49 0.1 . 1 . . . . . . . . 5623 1 1183 . 1 1 96 96 TRP HZ3 H 1 6.588 0.01 . 1 . . . . . . . . 5623 1 1184 . 1 1 96 96 TRP CH2 C 13 123.891 0.1 . 1 . . . . . . . . 5623 1 1185 . 1 1 96 96 TRP HH2 H 1 6.715 0.01 . 1 . . . . . . . . 5623 1 1186 . 1 1 97 97 VAL H H 1 6.795 0.01 . 1 . . . . . . . . 5623 1 1187 . 1 1 97 97 VAL N N 15 120.01 0.1 . 1 . . . . . . . . 5623 1 1188 . 1 1 97 97 VAL CA C 13 63.146 0.1 . 1 . . . . . . . . 5623 1 1189 . 1 1 97 97 VAL HA H 1 3.674 0.01 . 1 . . . . . . . . 5623 1 1190 . 1 1 97 97 VAL C C 13 175.589 0.1 . 1 . . . . . . . . 5623 1 1191 . 1 1 97 97 VAL CB C 13 32.327 0.1 . 1 . . . . . . . . 5623 1 1192 . 1 1 97 97 VAL HB H 1 1.137 0.01 . 1 . . . . . . . . 5623 1 1193 . 1 1 97 97 VAL CG1 C 13 20.291 0.1 . 1 . . . . . . . . 5623 1 1194 . 1 1 97 97 VAL HG11 H 1 -0.159 0.01 . 1 . . . . . . . . 5623 1 1195 . 1 1 97 97 VAL HG12 H 1 -0.159 0.01 . 1 . . . . . . . . 5623 1 1196 . 1 1 97 97 VAL HG13 H 1 -0.159 0.01 . 1 . . . . . . . . 5623 1 1197 . 1 1 97 97 VAL CG2 C 13 23.496 0.1 . 1 . . . . . . . . 5623 1 1198 . 1 1 97 97 VAL HG21 H 1 -0.511 0.01 . 1 . . . . . . . . 5623 1 1199 . 1 1 97 97 VAL HG22 H 1 -0.511 0.01 . 1 . . . . . . . . 5623 1 1200 . 1 1 97 97 VAL HG23 H 1 -0.511 0.01 . 1 . . . . . . . . 5623 1 1201 . 1 1 98 98 LYS H H 1 6.951 0.01 . 1 . . . . . . . . 5623 1 1202 . 1 1 98 98 LYS N N 15 119.01 0.1 . 1 . . . . . . . . 5623 1 1203 . 1 1 98 98 LYS CA C 13 60.651 0.1 . 1 . . . . . . . . 5623 1 1204 . 1 1 98 98 LYS HA H 1 3.816 0.01 . 1 . . . . . . . . 5623 1 1205 . 1 1 98 98 LYS C C 13 174.042 0.1 . 1 . . . . . . . . 5623 1 1206 . 1 1 98 98 LYS CB C 13 31.077 0.1 . 1 . . . . . . . . 5623 1 1207 . 1 1 98 98 LYS HB2 H 1 1.815 0.01 . 1 . . . . . . . . 5623 1 1208 . 1 1 98 98 LYS HB3 H 1 1.722 0.01 . 1 . . . . . . . . 5623 1 1209 . 1 1 98 98 LYS CG C 13 25.762 0.1 . 1 . . . . . . . . 5623 1 1210 . 1 1 98 98 LYS HG2 H 1 1.429 0.01 . 1 . . . . . . . . 5623 1 1211 . 1 1 98 98 LYS HG3 H 1 1.266 0.01 . 1 . . . . . . . . 5623 1 1212 . 1 1 99 99 PRO N N 15 133.563 0.1 . 1 . . . . . . . . 5623 1 1213 . 1 1 99 99 PRO CA C 13 65.018 0.1 . 1 . . . . . . . . 5623 1 1214 . 1 1 99 99 PRO HA H 1 4.305 0.01 . 1 . . . . . . . . 5623 1 1215 . 1 1 99 99 PRO C C 13 176.750 0.1 . 1 . . . . . . . . 5623 1 1216 . 1 1 99 99 PRO CB C 13 31.077 0.1 . 1 . . . . . . . . 5623 1 1217 . 1 1 99 99 PRO HB2 H 1 2.156 0.01 . 1 . . . . . . . . 5623 1 1218 . 1 1 99 99 PRO HB3 H 1 1.067 0.01 . 1 . . . . . . . . 5623 1 1219 . 1 1 99 99 PRO CG C 13 27.951 0.1 . 1 . . . . . . . . 5623 1 1220 . 1 1 99 99 PRO HG2 H 1 1.92 0.01 . 1 . . . . . . . . 5623 1 1221 . 1 1 99 99 PRO HG3 H 1 1.862 0.01 . 1 . . . . . . . . 5623 1 1222 . 1 1 99 99 PRO CD C 13 50.359 0.1 . 1 . . . . . . . . 5623 1 1223 . 1 1 99 99 PRO HD2 H 1 3.804 0.01 . 1 . . . . . . . . 5623 1 1224 . 1 1 99 99 PRO HD3 H 1 3.136 0.01 . 1 . . . . . . . . 5623 1 1225 . 1 1 100 100 PHE H H 1 8.203 0.01 . 1 . . . . . . . . 5623 1 1226 . 1 1 100 100 PHE N N 15 114.009 0.1 . 1 . . . . . . . . 5623 1 1227 . 1 1 100 100 PHE CA C 13 58.0 0.1 . 1 . . . . . . . . 5623 1 1228 . 1 1 100 100 PHE HA H 1 4.516 0.01 . 1 . . . . . . . . 5623 1 1229 . 1 1 100 100 PHE C C 13 175.525 0.1 . 1 . . . . . . . . 5623 1 1230 . 1 1 100 100 PHE CB C 13 40.067 0.1 . 1 . . . . . . . . 5623 1 1231 . 1 1 100 100 PHE HB2 H 1 3.604 0.01 . 1 . . . . . . . . 5623 1 1232 . 1 1 100 100 PHE HB3 H 1 3.008 0.01 . 1 . . . . . . . . 5623 1 1233 . 1 1 100 100 PHE CD1 C 13 132.007 0.1 . 1 . . . . . . . . 5623 1 1234 . 1 1 100 100 PHE HD1 H 1 7.368 0.01 . 2 . . . . . . . . 5623 1 1235 . 1 1 100 100 PHE CD2 C 13 132.007 0.1 . 1 . . . . . . . . 5623 1 1236 . 1 1 100 100 PHE CE1 C 13 131.568 0.1 . 1 . . . . . . . . 5623 1 1237 . 1 1 100 100 PHE HE1 H 1 7.515 0.01 . 2 . . . . . . . . 5623 1 1238 . 1 1 100 100 PHE CE2 C 13 131.568 0.1 . 1 . . . . . . . . 5623 1 1239 . 1 1 100 100 PHE CZ C 13 129.704 0.1 . 1 . . . . . . . . 5623 1 1240 . 1 1 100 100 PHE HZ H 1 7.39 0.01 . 1 . . . . . . . . 5623 1 1241 . 1 1 101 101 VAL H H 1 7.4 0.01 . 1 . . . . . . . . 5623 1 1242 . 1 1 101 101 VAL N N 15 117.76 0.1 . 1 . . . . . . . . 5623 1 1243 . 1 1 101 101 VAL CA C 13 61.899 0.1 . 1 . . . . . . . . 5623 1 1244 . 1 1 101 101 VAL HA H 1 4.2 0.01 . 1 . . . . . . . . 5623 1 1245 . 1 1 101 101 VAL C C 13 175.009 0.1 . 1 . . . . . . . . 5623 1 1246 . 1 1 101 101 VAL CB C 13 32.894 0.1 . 1 . . . . . . . . 5623 1 1247 . 1 1 101 101 VAL HB H 1 2.049 0.01 . 1 . . . . . . . . 5623 1 1248 . 1 1 101 101 VAL CG1 C 13 20.526 0.1 . 1 . . . . . . . . 5623 1 1249 . 1 1 101 101 VAL HG11 H 1 0.833 0.01 . 1 . . . . . . . . 5623 1 1250 . 1 1 101 101 VAL HG12 H 1 0.833 0.01 . 1 . . . . . . . . 5623 1 1251 . 1 1 101 101 VAL HG13 H 1 0.833 0.01 . 1 . . . . . . . . 5623 1 1252 . 1 1 101 101 VAL CG2 C 13 21.463 0.1 . 1 . . . . . . . . 5623 1 1253 . 1 1 101 101 VAL HG21 H 1 0.833 0.01 . 1 . . . . . . . . 5623 1 1254 . 1 1 101 101 VAL HG22 H 1 0.833 0.01 . 1 . . . . . . . . 5623 1 1255 . 1 1 101 101 VAL HG23 H 1 0.833 0.01 . 1 . . . . . . . . 5623 1 1256 . 1 1 102 102 HIS H H 1 8.373 0.01 . 1 . . . . . . . . 5623 1 1257 . 1 1 102 102 HIS N N 15 122.76 0.1 . 1 . . . . . . . . 5623 1 1258 . 1 1 102 102 HIS CA C 13 53.478 0.1 . 1 . . . . . . . . 5623 1 1259 . 1 1 102 102 HIS HA H 1 4.961 0.01 . 1 . . . . . . . . 5623 1 1260 . 1 1 102 102 HIS C C 13 172.816 0.1 . 1 . . . . . . . . 5623 1 1261 . 1 1 102 102 HIS CB C 13 29.826 0.1 . 1 . . . . . . . . 5623 1 1262 . 1 1 102 102 HIS HB2 H 1 3.171 0.01 . 1 . . . . . . . . 5623 1 1263 . 1 1 102 102 HIS HB3 H 1 3.056 0.01 . 1 . . . . . . . . 5623 1 1264 . 1 1 102 102 HIS CD2 C 13 120.161 0.1 . 1 . . . . . . . . 5623 1 1265 . 1 1 102 102 HIS HD2 H 1 7.158 0.01 . 1 . . . . . . . . 5623 1 1266 . 1 1 102 102 HIS CE1 C 13 137.931 0.1 . 1 . . . . . . . . 5623 1 1267 . 1 1 102 102 HIS HE1 H 1 8.136 0.01 . 1 . . . . . . . . 5623 1 1268 . 1 1 103 103 PRO N N 15 137.186 0.1 . 1 . . . . . . . . 5623 1 1269 . 1 1 103 103 PRO CA C 13 62.834 0.1 . 1 . . . . . . . . 5623 1 1270 . 1 1 103 103 PRO HA H 1 4.457 0.01 . 1 . . . . . . . . 5623 1 1271 . 1 1 103 103 PRO C C 13 176.492 0.1 . 1 . . . . . . . . 5623 1 1272 . 1 1 103 103 PRO CB C 13 32.015 0.1 . 1 . . . . . . . . 5623 1 1273 . 1 1 103 103 PRO HB2 H 1 2.292 0.01 . 1 . . . . . . . . 5623 1 1274 . 1 1 103 103 PRO HB3 H 1 1.908 0.01 . 1 . . . . . . . . 5623 1 1275 . 1 1 103 103 PRO CG C 13 27.003 0.1 . 1 . . . . . . . . 5623 1 1276 . 1 1 103 103 PRO HG2 H 1 2.292 0.01 . 2 . . . . . . . . 5623 1 1277 . 1 1 103 103 PRO CD C 13 50.535 0.1 . 1 . . . . . . . . 5623 1 1278 . 1 1 103 103 PRO HD2 H 1 3.727 0.01 . 1 . . . . . . . . 5623 1 1279 . 1 1 103 103 PRO HD3 H 1 3.524 0.01 . 1 . . . . . . . . 5623 1 1280 . 1 1 104 104 LYS H H 1 8.459 0.01 . 1 . . . . . . . . 5623 1 1281 . 1 1 104 104 LYS N N 15 123.261 0.1 . 1 . . . . . . . . 5623 1 1282 . 1 1 104 104 LYS CA C 13 54.102 0.1 . 1 . . . . . . . . 5623 1 1283 . 1 1 104 104 LYS HA H 1 4.597 0.01 . 1 . . . . . . . . 5623 1 1284 . 1 1 104 104 LYS C C 13 174.170 0.1 . 1 . . . . . . . . 5623 1 1285 . 1 1 104 104 LYS CB C 13 32.434 0.1 . 1 . . . . . . . . 5623 1 1286 . 1 1 104 104 LYS HB2 H 1 1.827 0.01 . 1 . . . . . . . . 5623 1 1287 . 1 1 104 104 LYS HB3 H 1 1.733 0.01 . 1 . . . . . . . . 5623 1 1288 . 1 1 105 105 PRO N N 15 138.669 0.1 . 1 . . . . . . . . 5623 1 1289 . 1 1 105 105 PRO CA C 13 62.055 0.1 . 1 . . . . . . . . 5623 1 1290 . 1 1 105 105 PRO HA H 1 5.053 0.01 . 1 . . . . . . . . 5623 1 1291 . 1 1 105 105 PRO C C 13 174.042 0.1 . 1 . . . . . . . . 5623 1 1292 . 1 1 105 105 PRO CB C 13 32.891 0.1 . 1 . . . . . . . . 5623 1 1293 . 1 1 105 105 PRO CD C 13 50.203 0.1 . 1 . . . . . . . . 5623 1 1294 . 1 1 105 105 PRO HD2 H 1 3.814 0.01 . 1 . . . . . . . . 5623 1 1295 . 1 1 105 105 PRO HD3 H 1 3.619 0.01 . 1 . . . . . . . . 5623 1 1296 . 1 1 106 106 PRO N N 15 134.551 0.1 . 1 . . . . . . . . 5623 1 1297 . 1 1 106 106 PRO CA C 13 61.275 0.1 . 1 . . . . . . . . 5623 1 1298 . 1 1 106 106 PRO HA H 1 4.708 0.01 . 1 . . . . . . . . 5623 1 1299 . 1 1 106 106 PRO C C 13 174.170 0.1 . 1 . . . . . . . . 5623 1 1300 . 1 1 106 106 PRO CB C 13 30.764 0.1 . 1 . . . . . . . . 5623 1 1301 . 1 1 106 106 PRO HB2 H 1 2.037 0.01 . 1 . . . . . . . . 5623 1 1302 . 1 1 106 106 PRO HB3 H 1 1.897 0.01 . 1 . . . . . . . . 5623 1 1303 . 1 1 106 106 PRO HG2 H 1 2.329 0.01 . 2 . . . . . . . . 5623 1 1304 . 1 1 106 106 PRO CD C 13 50.486 0.1 . 1 . . . . . . . . 5623 1 1305 . 1 1 106 106 PRO HD2 H 1 3.808 0.01 . 1 . . . . . . . . 5623 1 1306 . 1 1 106 106 PRO HD3 H 1 3.639 0.01 . 1 . . . . . . . . 5623 1 1307 . 1 1 107 107 PRO N N 15 136.198 0.1 . 1 . . . . . . . . 5623 1 1308 . 1 1 107 107 PRO CA C 13 61.219 0.1 . 1 . . . . . . . . 5623 1 1309 . 1 1 107 107 PRO HA H 1 4.708 0.01 . 1 . . . . . . . . 5623 1 1310 . 1 1 108 108 PRO N N 15 134.551 0.1 . 1 . . . . . . . . 5623 1 1311 . 1 1 108 108 PRO CA C 13 62.523 0.1 . 1 . . . . . . . . 5623 1 1312 . 1 1 108 108 PRO HA H 1 4.422 0.01 . 1 . . . . . . . . 5623 1 1313 . 1 1 108 108 PRO C C 13 176.592 0.1 . 1 . . . . . . . . 5623 1 1314 . 1 1 108 108 PRO CB C 13 31.709 0.1 . 1 . . . . . . . . 5623 1 1315 . 1 1 108 108 PRO HB2 H 1 2.267 0.01 . 1 . . . . . . . . 5623 1 1316 . 1 1 108 108 PRO HB3 H 1 2.01 0.01 . 1 . . . . . . . . 5623 1 1317 . 1 1 108 108 PRO CG C 13 27.003 0.1 . 1 . . . . . . . . 5623 1 1318 . 1 1 108 108 PRO HG2 H 1 1.908 0.01 . 2 . . . . . . . . 5623 1 1319 . 1 1 108 108 PRO CD C 13 50.065 0.1 . 1 . . . . . . . . 5623 1 1320 . 1 1 108 108 PRO HD2 H 1 3.804 0.01 . 1 . . . . . . . . 5623 1 1321 . 1 1 108 108 PRO HD3 H 1 3.804 0.01 . 1 . . . . . . . . 5623 1 1322 . 1 1 109 109 LEU H H 1 8.234 0.01 . 1 . . . . . . . . 5623 1 1323 . 1 1 109 109 LEU N N 15 123.511 0.1 . 1 . . . . . . . . 5623 1 1324 . 1 1 109 109 LEU CA C 13 52.698 0.1 . 1 . . . . . . . . 5623 1 1325 . 1 1 109 109 LEU HA H 1 4.597 0.01 . 1 . . . . . . . . 5623 1 1326 . 1 1 109 109 LEU C C 13 175.138 0.1 . 1 . . . . . . . . 5623 1 1327 . 1 1 109 109 LEU CB C 13 41.783 0.1 . 1 . . . . . . . . 5623 1 1328 . 1 1 109 109 LEU HB2 H 1 1.56 0.01 . 2 . . . . . . . . 5623 1 1329 . 1 1 109 109 LEU CG C 13 23.417 0.1 . 1 . . . . . . . . 5623 1 1330 . 1 1 109 109 LEU HG H 1 0.915 0.01 . 1 . . . . . . . . 5623 1 1331 . 1 1 110 110 PRO N N 15 137.351 0.1 . 1 . . . . . . . . 5623 1 1332 . 1 1 110 110 PRO CA C 13 61.377 0.1 . 1 . . . . . . . . 5623 1 1333 . 1 1 110 110 PRO HA H 1 4.708 0.01 . 1 . . . . . . . . 5623 1 1334 . 1 1 110 110 PRO C C 13 174.686 0.1 . 1 . . . . . . . . 5623 1 1335 . 1 1 110 110 PRO CB C 13 31.077 0.1 . 1 . . . . . . . . 5623 1 1336 . 1 1 110 110 PRO HB2 H 1 2.294 0.01 . 1 . . . . . . . . 5623 1 1337 . 1 1 110 110 PRO HB3 H 1 2.037 0.01 . 1 . . . . . . . . 5623 1 1338 . 1 1 110 110 PRO CD C 13 50.407 0.1 . 1 . . . . . . . . 5623 1 1339 . 1 1 110 110 PRO HD2 H 1 3.873 0.01 . 1 . . . . . . . . 5623 1 1340 . 1 1 110 110 PRO HD3 H 1 3.215 0.01 . 1 . . . . . . . . 5623 1 1341 . 1 1 111 111 PRO CA C 13 62.834 0.1 . 1 . . . . . . . . 5623 1 1342 . 1 1 111 111 PRO HA H 1 4.445 0.01 . 1 . . . . . . . . 5623 1 1343 . 1 1 111 111 PRO C C 13 176.943 0.1 . 1 . . . . . . . . 5623 1 1344 . 1 1 111 111 PRO CB C 13 31.945 0.1 . 1 . . . . . . . . 5623 1 1345 . 1 1 111 111 PRO HB2 H 1 2.292 0.01 . 1 . . . . . . . . 5623 1 1346 . 1 1 111 111 PRO HB3 H 1 1.934 0.01 . 1 . . . . . . . . 5623 1 1347 . 1 1 111 111 PRO CG C 13 27.238 0.1 . 1 . . . . . . . . 5623 1 1348 . 1 1 111 111 PRO HG2 H 1 2.036 0.01 . 2 . . . . . . . . 5623 1 1349 . 1 1 111 111 PRO CD C 13 50.359 0.1 . 1 . . . . . . . . 5623 1 1350 . 1 1 111 111 PRO HD2 H 1 3.826 0.01 . 1 . . . . . . . . 5623 1 1351 . 1 1 111 111 PRO HD3 H 1 3.674 0.01 . 1 . . . . . . . . 5623 1 1352 . 1 1 112 112 SER H H 1 8.297 0.01 . 1 . . . . . . . . 5623 1 1353 . 1 1 112 112 SER N N 15 116.01 0.1 . 1 . . . . . . . . 5623 1 1354 . 1 1 112 112 SER CA C 13 58.0 0.1 . 1 . . . . . . . . 5623 1 1355 . 1 1 112 112 SER HA H 1 4.414 0.01 . 1 . . . . . . . . 5623 1 1356 . 1 1 112 112 SER C C 13 173.848 0.1 . 1 . . . . . . . . 5623 1 1357 . 1 1 112 112 SER CB C 13 63.77 0.1 . 1 . . . . . . . . 5623 1 1358 . 1 1 112 112 SER HB2 H 1 3.861 0.01 . 1 . . . . . . . . 5623 1 1359 . 1 1 112 112 SER HB3 H 1 3.672 0.01 . 1 . . . . . . . . 5623 1 1360 . 1 1 113 113 ALA H H 1 8.266 0.01 . 1 . . . . . . . . 5623 1 1361 . 1 1 113 113 ALA N N 15 127.011 0.1 . 1 . . . . . . . . 5623 1 1362 . 1 1 113 113 ALA CA C 13 50.359 0.1 . 1 . . . . . . . . 5623 1 1363 . 1 1 113 113 ALA HA H 1 4.621 0.01 . 1 . . . . . . . . 5623 1 1364 . 1 1 113 113 ALA C C 13 175.396 0.1 . 1 . . . . . . . . 5623 1 1365 . 1 1 113 113 ALA CB C 13 18.337 0.1 . 1 . . . . . . . . 5623 1 1366 . 1 1 113 113 ALA HB1 H 1 1.371 0.01 . 1 . . . . . . . . 5623 1 1367 . 1 1 113 113 ALA HB2 H 1 1.371 0.01 . 1 . . . . . . . . 5623 1 1368 . 1 1 113 113 ALA HB3 H 1 1.371 0.01 . 1 . . . . . . . . 5623 1 1369 . 1 1 114 114 PRO N N 15 135.539 0.1 . 1 . . . . . . . . 5623 1 1370 . 1 1 114 114 PRO CA C 13 62.834 0.1 . 1 . . . . . . . . 5623 1 1371 . 1 1 114 114 PRO HA H 1 4.445 0.01 . 1 . . . . . . . . 5623 1 1372 . 1 1 114 114 PRO C C 13 176.592 0.1 . 1 . . . . . . . . 5623 1 1373 . 1 1 114 114 PRO CB C 13 31.945 0.1 . 1 . . . . . . . . 5623 1 1374 . 1 1 114 114 PRO HB2 H 1 2.292 0.01 . 1 . . . . . . . . 5623 1 1375 . 1 1 114 114 PRO HB3 H 1 1.908 0.01 . 1 . . . . . . . . 5623 1 1376 . 1 1 114 114 PRO CG C 13 27.325 0.1 . 1 . . . . . . . . 5623 1 1377 . 1 1 114 114 PRO HG2 H 1 2.014 0.01 . 2 . . . . . . . . 5623 1 1378 . 1 1 114 114 PRO CD C 13 50.359 0.1 . 1 . . . . . . . . 5623 1 1379 . 1 1 114 114 PRO HD2 H 1 3.779 0.01 . 1 . . . . . . . . 5623 1 1380 . 1 1 114 114 PRO HD3 H 1 3.639 0.01 . 1 . . . . . . . . 5623 1 1381 . 1 1 115 115 SER H H 1 8.359 0.01 . 1 . . . . . . . . 5623 1 1382 . 1 1 115 115 SER N N 15 116.26 0.1 . 1 . . . . . . . . 5623 1 1383 . 1 1 115 115 SER CA C 13 57.831 0.1 . 1 . . . . . . . . 5623 1 1384 . 1 1 115 115 SER HA H 1 4.422 0.01 . 1 . . . . . . . . 5623 1 1385 . 1 1 115 115 SER C C 13 172.881 0.1 . 1 . . . . . . . . 5623 1 1386 . 1 1 115 115 SER CB C 13 63.77 0.1 . 1 . . . . . . . . 5623 1 1387 . 1 1 115 115 SER HB2 H 1 3.826 0.01 . 1 . . . . . . . . 5623 1 1388 . 1 1 115 115 SER HB3 H 1 3.634 0.01 . 1 . . . . . . . . 5623 1 1389 . 1 1 116 116 LEU H H 1 7.96 0.01 . 1 . . . . . . . . 5623 1 1390 . 1 1 116 116 LEU N N 15 122.76 0.1 . 1 . . . . . . . . 5623 1 1391 . 1 1 116 116 LEU CA C 13 52.387 0.1 . 1 . . . . . . . . 5623 1 1392 . 1 1 116 116 LEU HA H 1 4.399 0.01 . 1 . . . . . . . . 5623 1 1393 . 1 1 116 116 LEU C C 13 175.654 0.1 . 1 . . . . . . . . 5623 1 1394 . 1 1 116 116 LEU CB C 13 42.718 0.1 . 1 . . . . . . . . 5623 1 1395 . 1 1 116 116 LEU HB2 H 1 1.57 0.01 . 2 . . . . . . . . 5623 1 1396 . 1 1 116 116 LEU HD11 H 1 0.905 0.01 . 1 . . . . . . . . 5623 1 1397 . 1 1 116 116 LEU HD12 H 1 0.905 0.01 . 1 . . . . . . . . 5623 1 1398 . 1 1 116 116 LEU HD13 H 1 0.905 0.01 . 1 . . . . . . . . 5623 1 1399 . 1 1 116 116 LEU HD21 H 1 0.905 0.01 . 1 . . . . . . . . 5623 1 1400 . 1 1 116 116 LEU HD22 H 1 0.905 0.01 . 1 . . . . . . . . 5623 1 1401 . 1 1 116 116 LEU HD23 H 1 0.905 0.01 . 1 . . . . . . . . 5623 1 1402 . 1 1 116 116 LEU HG H 1 1.412 0.01 . 1 . . . . . . . . 5623 1 1403 . 1 1 117 117 PRO CA C 13 62.772 0.1 . 1 . . . . . . . . 5623 1 1404 . 1 1 117 117 PRO HA H 1 4.445 0.01 . 1 . . . . . . . . 5623 1 1405 . 1 1 117 117 PRO C C 13 176.592 0.1 . 1 . . . . . . . . 5623 1 1406 . 1 1 117 117 PRO CB C 13 31.709 0.1 . 1 . . . . . . . . 5623 1 1407 . 1 1 117 117 PRO HB2 H 1 2.267 0.01 . 1 . . . . . . . . 5623 1 1408 . 1 1 117 117 PRO HB3 H 1 1.908 0.01 . 1 . . . . . . . . 5623 1 1409 . 1 1 117 117 PRO CG C 13 27.325 0.1 . 1 . . . . . . . . 5623 1 1410 . 1 1 117 117 PRO HG2 H 1 2.045 0.01 . 2 . . . . . . . . 5623 1 1411 . 1 1 117 117 PRO CD C 13 50.3 0.1 . 1 . . . . . . . . 5623 1 1412 . 1 1 117 117 PRO HD2 H 1 3.83 0.01 . 1 . . . . . . . . 5623 1 1413 . 1 1 117 117 PRO HD3 H 1 3.651 0.01 . 1 . . . . . . . . 5623 1 1414 . 1 1 118 118 LEU H H 1 8.283 0.01 . 1 . . . . . . . . 5623 1 1415 . 1 1 118 118 LEU N N 15 122.51 0.1 . 1 . . . . . . . . 5623 1 1416 . 1 1 118 118 LEU CA C 13 54.882 0.1 . 1 . . . . . . . . 5623 1 1417 . 1 1 118 118 LEU HA H 1 4.305 0.01 . 1 . . . . . . . . 5623 1 1418 . 1 1 118 118 LEU C C 13 177.201 0.1 . 1 . . . . . . . . 5623 1 1419 . 1 1 118 118 LEU CB C 13 42.299 0.1 . 1 . . . . . . . . 5623 1 1420 . 1 1 118 118 LEU HB2 H 1 1.6 0.01 . 2 . . . . . . . . 5623 1 1421 . 1 1 118 118 LEU CG C 13 26.934 0.1 . 1 . . . . . . . . 5623 1 1422 . 1 1 118 118 LEU CD1 C 13 23.473 0.1 . 1 . . . . . . . . 5623 1 1423 . 1 1 118 118 LEU CD2 C 13 24.824 0.1 . 1 . . . . . . . . 5623 1 1424 . 1 1 118 118 LEU HG H 1 0.927 0.01 . 1 . . . . . . . . 5623 1 1425 . 1 1 119 119 GLU H H 1 8.24 0.01 . 1 . . . . . . . . 5623 1 1426 . 1 1 119 119 GLU N N 15 123.261 0.1 . 1 . . . . . . . . 5623 1 1427 . 1 1 119 119 GLU CA C 13 53.946 0.1 . 1 . . . . . . . . 5623 1 1428 . 1 1 119 119 GLU HA H 1 4.609 0.01 . 1 . . . . . . . . 5623 1 1429 . 1 1 119 119 GLU C C 13 173.848 0.1 . 1 . . . . . . . . 5623 1 1430 . 1 1 119 119 GLU CB C 13 29.983 0.1 . 1 . . . . . . . . 5623 1 1431 . 1 1 119 119 GLU HB2 H 1 1.885 0.01 . 2 . . . . . . . . 5623 1 1432 . 1 1 119 119 GLU CG C 13 35.857 0.1 . 1 . . . . . . . . 5623 1 1433 . 1 1 119 119 GLU HG2 H 1 2.365 0.01 . 2 . . . . . . . . 5623 1 1434 . 1 1 119 119 GLU CD C 13 184.037 0.1 . 1 . . . . . . . . 5623 1 1435 . 1 1 120 120 PRO N N 15 135.869 0.1 . 1 . . . . . . . . 5623 1 1436 . 1 1 120 120 PRO CA C 13 62.834 0.1 . 1 . . . . . . . . 5623 1 1437 . 1 1 120 120 PRO HA H 1 4.41 0.01 . 1 . . . . . . . . 5623 1 1438 . 1 1 120 120 PRO C C 13 175.525 0.1 . 1 . . . . . . . . 5623 1 1439 . 1 1 120 120 PRO CB C 13 31.9 0.1 . 1 . . . . . . . . 5623 1 1440 . 1 1 120 120 PRO HB2 H 1 2.277 0.01 . 1 . . . . . . . . 5623 1 1441 . 1 1 120 120 PRO HB3 H 1 1.909 0.01 . 1 . . . . . . . . 5623 1 1442 . 1 1 120 120 PRO CD C 13 50.486 0.1 . 1 . . . . . . . . 5623 1 1443 . 1 1 120 120 PRO HD2 H 1 3.838 0.01 . 1 . . . . . . . . 5623 1 1444 . 1 1 120 120 PRO HD3 H 1 3.645 0.01 . 1 . . . . . . . . 5623 1 1445 . 1 1 121 121 PRO CA C 13 62.834 0.1 . 1 . . . . . . . . 5623 1 1446 . 1 1 121 121 PRO HA H 1 4.399 0.01 . 1 . . . . . . . . 5623 1 1447 . 1 1 121 121 PRO CB C 13 31.709 0.1 . 1 . . . . . . . . 5623 1 1448 . 1 1 121 121 PRO HB2 H 1 2.318 0.01 . 1 . . . . . . . . 5623 1 1449 . 1 1 121 121 PRO HB3 H 1 1.908 0.01 . 1 . . . . . . . . 5623 1 1450 . 1 1 121 121 PRO CG C 13 27.238 0.1 . 1 . . . . . . . . 5623 1 1451 . 1 1 121 121 PRO HG2 H 1 2.072 0.01 . 2 . . . . . . . . 5623 1 1452 . 1 1 121 121 PRO CD C 13 50.3 0.1 . 1 . . . . . . . . 5623 1 1453 . 1 1 121 121 PRO HD2 H 1 3.83 0.01 . 1 . . . . . . . . 5623 1 1454 . 1 1 121 121 PRO HD3 H 1 3.625 0.01 . 1 . . . . . . . . 5623 1 1455 . 1 1 122 122 ARG H H 1 8.47 0.01 . 1 . . . . . . . . 5623 1 1456 . 1 1 122 122 ARG N N 15 121.76 0.1 . 1 . . . . . . . . 5623 1 1457 . 1 1 122 122 ARG CA C 13 55.817 0.1 . 1 . . . . . . . . 5623 1 1458 . 1 1 122 122 ARG HA H 1 4.364 0.01 . 1 . . . . . . . . 5623 1 1459 . 1 1 122 122 ARG C C 13 176.427 0.1 . 1 . . . . . . . . 5623 1 1460 . 1 1 122 122 ARG CB C 13 30.768 0.1 . 1 . . . . . . . . 5623 1 1461 . 1 1 122 122 ARG HB2 H 1 1.882 0.01 . 1 . . . . . . . . 5623 1 1462 . 1 1 122 122 ARG HB3 H 1 1.788 0.01 . 1 . . . . . . . . 5623 1 1463 . 1 1 122 122 ARG CG C 13 27.003 0.1 . 1 . . . . . . . . 5623 1 1464 . 1 1 122 122 ARG HG2 H 1 1.677 0.01 . 2 . . . . . . . . 5623 1 1465 . 1 1 122 122 ARG CD C 13 43.342 0.1 . 1 . . . . . . . . 5623 1 1466 . 1 1 122 122 ARG HD2 H 1 3.218 0.01 . 2 . . . . . . . . 5623 1 1467 . 1 1 123 123 SER H H 1 8.4 0.01 . 1 . . . . . . . . 5623 1 1468 . 1 1 123 123 SER N N 15 117.01 0.1 . 1 . . . . . . . . 5623 1 1469 . 1 1 123 123 SER CA C 13 57.8 0.1 . 1 . . . . . . . . 5623 1 1470 . 1 1 123 123 SER HA H 1 4.527 0.01 . 1 . . . . . . . . 5623 1 1471 . 1 1 123 123 SER C C 13 174.170 0.1 . 1 . . . . . . . . 5623 1 1472 . 1 1 123 123 SER CB C 13 63.77 0.1 . 1 . . . . . . . . 5623 1 1473 . 1 1 123 123 SER HB2 H 1 3.861 0.01 . 2 . . . . . . . . 5623 1 1474 . 1 1 124 124 THR H H 1 8.219 0.01 . 1 . . . . . . . . 5623 1 1475 . 1 1 124 124 THR N N 15 118.51 0.1 . 1 . . . . . . . . 5623 1 1476 . 1 1 124 124 THR CA C 13 59.56 0.1 . 1 . . . . . . . . 5623 1 1477 . 1 1 124 124 THR HA H 1 4.609 0.01 . 1 . . . . . . . . 5623 1 1478 . 1 1 124 124 THR C C 13 172.236 0.1 . 1 . . . . . . . . 5623 1 1479 . 1 1 124 124 THR CB C 13 69.696 0.1 . 1 . . . . . . . . 5623 1 1480 . 1 1 124 124 THR HB H 1 4.09 0.01 . 1 . . . . . . . . 5623 1 1481 . 1 1 124 124 THR CG2 C 13 20.994 0.1 . 1 . . . . . . . . 5623 1 1482 . 1 1 124 124 THR HG21 H 1 1.265 0.01 . 1 . . . . . . . . 5623 1 1483 . 1 1 124 124 THR HG22 H 1 1.265 0.01 . 1 . . . . . . . . 5623 1 1484 . 1 1 124 124 THR HG23 H 1 1.265 0.01 . 1 . . . . . . . . 5623 1 1485 . 1 1 125 125 PRO N N 15 140.481 0.1 . 1 . . . . . . . . 5623 1 1486 . 1 1 125 125 PRO CA C 13 61.614 0.1 . 1 . . . . . . . . 5623 1 1487 . 1 1 125 125 PRO HA H 1 4.703 0.01 . 1 . . . . . . . . 5623 1 1488 . 1 1 125 125 PRO CB C 13 30.764 0.1 . 1 . . . . . . . . 5623 1 1489 . 1 1 125 125 PRO HB2 H 1 2.353 0.01 . 1 . . . . . . . . 5623 1 1490 . 1 1 125 125 PRO HB3 H 1 1.884 0.01 . 1 . . . . . . . . 5623 1 1491 . 1 1 125 125 PRO CD C 13 50.983 0.1 . 1 . . . . . . . . 5623 1 1492 . 1 1 125 125 PRO HD2 H 1 3.873 0.01 . 1 . . . . . . . . 5623 1 1493 . 1 1 125 125 PRO HD3 H 1 3.686 0.01 . 1 . . . . . . . . 5623 1 1494 . 1 1 126 126 PRO CA C 13 63.614 0.1 . 1 . . . . . . . . 5623 1 1495 . 1 1 126 126 PRO HA H 1 4.586 0.01 . 1 . . . . . . . . 5623 1 1496 . 1 1 126 126 PRO C C 13 175.976 0.1 . 1 . . . . . . . . 5623 1 1497 . 1 1 126 126 PRO CB C 13 32.821 0.1 . 1 . . . . . . . . 5623 1 1498 . 1 1 126 126 PRO CG C 13 23.708 0.1 . 1 . . . . . . . . 5623 1 1499 . 1 1 126 126 PRO CD C 13 49.424 0.1 . 1 . . . . . . . . 5623 1 1500 . 1 1 126 126 PRO HD2 H 1 3.358 0.01 . 1 . . . . . . . . 5623 1 1501 . 1 1 126 126 PRO HD3 H 1 3.054 0.01 . 1 . . . . . . . . 5623 1 1502 . 1 1 127 127 ARG H H 1 8.207 0.01 . 1 . . . . . . . . 5623 1 1503 . 1 1 127 127 ARG N N 15 123.011 0.1 . 1 . . . . . . . . 5623 1 1504 . 1 1 127 127 ARG CA C 13 56.889 0.1 . 1 . . . . . . . . 5623 1 1505 . 1 1 127 127 ARG HA H 1 4.329 0.01 . 1 . . . . . . . . 5623 1 1506 . 1 1 127 127 ARG C C 13 176.592 0.1 . 1 . . . . . . . . 5623 1 1507 . 1 1 127 127 ARG CB C 13 30.295 0.1 . 1 . . . . . . . . 5623 1 1508 . 1 1 127 127 ARG HB2 H 1 1.882 0.01 . 1 . . . . . . . . 5623 1 1509 . 1 1 127 127 ARG HB3 H 1 1.815 0.01 . 1 . . . . . . . . 5623 1 1510 . 1 1 127 127 ARG CG C 13 27.473 0.1 . 1 . . . . . . . . 5623 1 1511 . 1 1 127 127 ARG CD C 13 43.005 0.1 . 1 . . . . . . . . 5623 1 1512 . 1 1 127 127 ARG HD2 H 1 3.215 0.01 . 2 . . . . . . . . 5623 1 1513 . 1 1 128 128 SER H H 1 8.0 0.01 . 1 . . . . . . . . 5623 1 1514 . 1 1 128 128 SER N N 15 115.51 0.1 . 1 . . . . . . . . 5623 1 1515 . 1 1 128 128 SER CA C 13 57.831 0.1 . 1 . . . . . . . . 5623 1 1516 . 1 1 128 128 SER HA H 1 4.573 0.01 . 1 . . . . . . . . 5623 1 1517 . 1 1 128 128 SER C C 13 174.170 0.1 . 1 . . . . . . . . 5623 1 1518 . 1 1 128 128 SER CB C 13 63.714 0.1 . 1 . . . . . . . . 5623 1 1519 . 1 1 128 128 SER HB2 H 1 3.856 0.01 . 2 . . . . . . . . 5623 1 1520 . 1 1 129 129 SER H H 1 8.266 0.01 . 1 . . . . . . . . 5623 1 1521 . 1 1 129 129 SER N N 15 117.51 0.1 . 1 . . . . . . . . 5623 1 1522 . 1 1 129 129 SER CA C 13 57.831 0.1 . 1 . . . . . . . . 5623 1 1523 . 1 1 129 129 SER HA H 1 4.416 0.01 . 1 . . . . . . . . 5623 1 1524 . 1 1 129 129 SER C C 13 174.170 0.1 . 1 . . . . . . . . 5623 1 1525 . 1 1 129 129 SER CB C 13 63.714 0.1 . 1 . . . . . . . . 5623 1 1526 . 1 1 129 129 SER HB2 H 1 3.852 0.01 . 1 . . . . . . . . 5623 1 1527 . 1 1 129 129 SER HB3 H 1 3.643 0.01 . 1 . . . . . . . . 5623 1 1528 . 1 1 130 130 LEU H H 1 8.177 0.01 . 1 . . . . . . . . 5623 1 1529 . 1 1 130 130 LEU N N 15 123.761 0.1 . 1 . . . . . . . . 5623 1 1530 . 1 1 130 130 LEU CA C 13 55.477 0.1 . 1 . . . . . . . . 5623 1 1531 . 1 1 130 130 LEU HA H 1 4.197 0.01 . 1 . . . . . . . . 5623 1 1532 . 1 1 130 130 LEU C C 13 175.912 0.1 . 1 . . . . . . . . 5623 1 1533 . 1 1 130 130 LEU CB C 13 42.299 0.1 . 1 . . . . . . . . 5623 1 1534 . 1 1 130 130 LEU HB2 H 1 1.444 0.01 . 2 . . . . . . . . 5623 1 1535 . 1 1 130 130 LEU CG C 13 26.767 0.1 . 1 . . . . . . . . 5623 1 1536 . 1 1 130 130 LEU CD1 C 13 24.65 0.1 . 1 . . . . . . . . 5623 1 1537 . 1 1 130 130 LEU CD2 C 13 23.238 0.1 . 1 . . . . . . . . 5623 1 1538 . 1 1 130 130 LEU HG H 1 0.883 0.01 . 1 . . . . . . . . 5623 1 1539 . 1 1 131 131 TYR H H 1 7.489 0.01 . 1 . . . . . . . . 5623 1 1540 . 1 1 131 131 TYR N N 15 124.011 0.1 . 1 . . . . . . . . 5623 1 1541 . 1 1 131 131 TYR CA C 13 58.497 0.1 . 1 . . . . . . . . 5623 1 1542 . 1 1 131 131 TYR HA H 1 4.385 0.01 . 1 . . . . . . . . 5623 1 1543 . 1 1 131 131 TYR C C 13 180.297 0.1 . 1 . . . . . . . . 5623 1 1544 . 1 1 131 131 TYR CB C 13 39.444 0.1 . 1 . . . . . . . . 5623 1 1545 . 1 1 131 131 TYR HB2 H 1 3.078 0.01 . 1 . . . . . . . . 5623 1 1546 . 1 1 131 131 TYR HB3 H 1 2.856 0.01 . 1 . . . . . . . . 5623 1 1547 . 1 1 131 131 TYR CD1 C 13 133.214 0.1 . 1 . . . . . . . . 5623 1 1548 . 1 1 131 131 TYR HD1 H 1 7.099 0.01 . 2 . . . . . . . . 5623 1 1549 . 1 1 131 131 TYR CD2 C 13 133.214 0.1 . 1 . . . . . . . . 5623 1 1550 . 1 1 131 131 TYR CE1 C 13 117.748 0.1 . 1 . . . . . . . . 5623 1 1551 . 1 1 131 131 TYR HE1 H 1 6.813 0.01 . 2 . . . . . . . . 5623 1 1552 . 1 1 131 131 TYR CE2 C 13 117.748 0.1 . 1 . . . . . . . . 5623 1 stop_ save_