data_7302 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7302 _Entry.Title ; The PX domain of Sorting Nexin 1 (SNX1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-09-25 _Entry.Accession_date 2006-09-25 _Entry.Last_release_date 2006-11-14 _Entry.Original_release_date 2006-11-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Martin Watson . J. . 7302 2 Jonathon Waltho . P. . 7302 3 Andrea Hounslow . M. . 7302 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7302 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 551 7302 '15N chemical shifts' 123 7302 '1H chemical shifts' 760 7302 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 . . 2006-11-14 2006-09-25 original author . 7302 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2I4K 'BMRB Entry Tracking System' 7302 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7302 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15673616 _Citation.Full_citation . _Citation.Title 'Determinants of the Localization of Sorting Nexin 1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Biol. Cell' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2049 _Citation.Page_last 2057 _Citation.Year 2005 _Citation.Details 'The first and second authors contributed equally to this publication.' 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 Qi Zhong . . . 7302 1 2 Martin Watson . J. . 7302 1 3 Cheri Lazar . S. . 7302 1 4 Andrea Hounslow . M. . 7302 1 5 Jonathon Waltho . P. . 7302 1 6 Gordon Gill . N. . 7302 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7302 _Assembly.ID 1 _Assembly.Name SNX1-PX _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'The PX domain of Sorting Nexin 1' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SNX1-PX 1 $PX_domain . . yes native no no . . . 7302 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PX_domain _Entity.Sf_category entity _Entity.Sf_framecode PX_domain _Entity.Entry_ID 7302 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SNX1-PX _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 ; QFDLTVGITDPEKIGDGMNA YVAYKVTTQTSLPLFRSKQF AVKRRFSDFLGLYEKLSEKH SQNGFIVPPPPEKSLIGMTK VKVGKEDSSSAEFLEKRRAA LERYLQRIVNHPTMLQDPDV REFLEKEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2I4K . "Solution Structure Of The Px Domain Of Sorting Nexin 1" . . . . . 100.00 128 100.00 100.00 2.38e-87 . . . . 7302 1 2 no DBJ BAB20283 . "sorting nexin 1 [Mus musculus]" . . . . . 100.00 521 98.44 100.00 1.73e-83 . . . . 7302 1 3 no DBJ BAB83537 . "sorting nexin 1 [Macaca fascicularis]" . . . . . 100.00 474 100.00 100.00 2.95e-85 . . . . 7302 1 4 no DBJ BAC87312 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 557 100.00 100.00 8.55e-84 . . . . 7302 1 5 no DBJ BAD92250 . "sorting nexin 1 isoform a variant [Homo sapiens]" . . . . . 100.00 432 100.00 100.00 6.97e-86 . . . . 7302 1 6 no DBJ BAD96281 . "sorting nexin 1 isoform a variant [Homo sapiens]" . . . . . 100.00 522 98.44 98.44 2.58e-82 . . . . 7302 1 7 no EMBL CAH89408 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 522 100.00 100.00 2.58e-84 . . . . 7302 1 8 no EMBL CAH89409 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 522 99.22 100.00 6.15e-84 . . . . 7302 1 9 no GB AAA98672 . "sorting nexin 1 [Homo sapiens]" . . . . . 100.00 522 100.00 100.00 2.34e-84 . . . . 7302 1 10 no GB AAC17182 . "sorting nexin 1 [Homo sapiens]" . . . . . 100.00 522 99.22 99.22 2.50e-83 . . . . 7302 1 11 no GB AAC17183 . "sorting nexin 1A [Homo sapiens]" . . . . . 89.06 457 99.12 99.12 1.36e-72 . . . . 7302 1 12 no GB AAD38805 . "sorting nexin 1 [Mus musculus]" . . . . . 100.00 522 98.44 100.00 9.85e-84 . . . . 7302 1 13 no GB AAG59616 . "sorting nexin 1 [Rattus norvegicus]" . . . . . 100.00 522 98.44 100.00 1.87e-83 . . . . 7302 1 14 no REF NP_001039572 . "sorting nexin-1 [Bos taurus]" . . . . . 100.00 522 98.44 99.22 3.68e-83 . . . . 7302 1 15 no REF NP_001127143 . "sorting nexin-1 [Pongo abelii]" . . . . . 100.00 522 100.00 100.00 2.58e-84 . . . . 7302 1 16 no REF NP_001229862 . "sorting nexin-1 isoform d [Homo sapiens]" . . . . . 100.00 557 100.00 100.00 9.11e-84 . . . . 7302 1 17 no REF NP_001253779 . "sorting nexin-1 [Macaca mulatta]" . . . . . 100.00 522 100.00 100.00 2.45e-84 . . . . 7302 1 18 no REF NP_001274601 . "sorting nexin-1 [Macaca fascicularis]" . . . . . 100.00 522 100.00 100.00 2.50e-84 . . . . 7302 1 19 no SP Q05B62 . "RecName: Full=Sorting nexin-1 [Bos taurus]" . . . . . 100.00 522 98.44 99.22 3.68e-83 . . . . 7302 1 20 no SP Q13596 . "RecName: Full=Sorting nexin-1 [Homo sapiens]" . . . . . 100.00 522 100.00 100.00 2.37e-84 . . . . 7302 1 21 no SP Q4R503 . "RecName: Full=Sorting nexin-1 [Macaca fascicularis]" . . . . . 100.00 522 100.00 100.00 2.50e-84 . . . . 7302 1 22 no SP Q5RFP8 . "RecName: Full=Sorting nexin-1 [Pongo abelii]" . . . . . 100.00 522 99.22 100.00 6.15e-84 . . . . 7302 1 23 no SP Q99N27 . "RecName: Full=Sorting nexin-1 [Rattus norvegicus]" . . . . . 100.00 522 98.44 100.00 1.87e-83 . . . . 7302 1 24 no TPG DAA25321 . "TPA: sorting nexin-1 [Bos taurus]" . . . . . 100.00 522 98.44 99.22 3.13e-83 . . . . 7302 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 . GLN . 7302 1 2 . PHE . 7302 1 3 . ASP . 7302 1 4 . LEU . 7302 1 5 . THR . 7302 1 6 . VAL . 7302 1 7 . GLY . 7302 1 8 . ILE . 7302 1 9 . THR . 7302 1 10 . ASP . 7302 1 11 . PRO . 7302 1 12 . GLU . 7302 1 13 . LYS . 7302 1 14 . ILE . 7302 1 15 . GLY . 7302 1 16 . ASP . 7302 1 17 . GLY . 7302 1 18 . MET . 7302 1 19 . ASN . 7302 1 20 . ALA . 7302 1 21 . TYR . 7302 1 22 . VAL . 7302 1 23 . ALA . 7302 1 24 . TYR . 7302 1 25 . LYS . 7302 1 26 . VAL . 7302 1 27 . THR . 7302 1 28 . THR . 7302 1 29 . GLN . 7302 1 30 . THR . 7302 1 31 . SER . 7302 1 32 . LEU . 7302 1 33 . PRO . 7302 1 34 . LEU . 7302 1 35 . PHE . 7302 1 36 . ARG . 7302 1 37 . SER . 7302 1 38 . LYS . 7302 1 39 . GLN . 7302 1 40 . PHE . 7302 1 41 . ALA . 7302 1 42 . VAL . 7302 1 43 . LYS . 7302 1 44 . ARG . 7302 1 45 . ARG . 7302 1 46 . PHE . 7302 1 47 . SER . 7302 1 48 . ASP . 7302 1 49 . PHE . 7302 1 50 . LEU . 7302 1 51 . GLY . 7302 1 52 . LEU . 7302 1 53 . TYR . 7302 1 54 . GLU . 7302 1 55 . LYS . 7302 1 56 . LEU . 7302 1 57 . SER . 7302 1 58 . GLU . 7302 1 59 . LYS . 7302 1 60 . HIS . 7302 1 61 . SER . 7302 1 62 . GLN . 7302 1 63 . ASN . 7302 1 64 . GLY . 7302 1 65 . PHE . 7302 1 66 . ILE . 7302 1 67 . VAL . 7302 1 68 . PRO . 7302 1 69 . PRO . 7302 1 70 . PRO . 7302 1 71 . PRO . 7302 1 72 . GLU . 7302 1 73 . LYS . 7302 1 74 . SER . 7302 1 75 . LEU . 7302 1 76 . ILE . 7302 1 77 . GLY . 7302 1 78 . MET . 7302 1 79 . THR . 7302 1 80 . LYS . 7302 1 81 . VAL . 7302 1 82 . LYS . 7302 1 83 . VAL . 7302 1 84 . GLY . 7302 1 85 . LYS . 7302 1 86 . GLU . 7302 1 87 . ASP . 7302 1 88 . SER . 7302 1 89 . SER . 7302 1 90 . SER . 7302 1 91 . ALA . 7302 1 92 . GLU . 7302 1 93 . PHE . 7302 1 94 . LEU . 7302 1 95 . GLU . 7302 1 96 . LYS . 7302 1 97 . ARG . 7302 1 98 . ARG . 7302 1 99 . ALA . 7302 1 100 . ALA . 7302 1 101 . LEU . 7302 1 102 . GLU . 7302 1 103 . ARG . 7302 1 104 . TYR . 7302 1 105 . LEU . 7302 1 106 . GLN . 7302 1 107 . ARG . 7302 1 108 . ILE . 7302 1 109 . VAL . 7302 1 110 . ASN . 7302 1 111 . HIS . 7302 1 112 . PRO . 7302 1 113 . THR . 7302 1 114 . MET . 7302 1 115 . LEU . 7302 1 116 . GLN . 7302 1 117 . ASP . 7302 1 118 . PRO . 7302 1 119 . ASP . 7302 1 120 . VAL . 7302 1 121 . ARG . 7302 1 122 . GLU . 7302 1 123 . PHE . 7302 1 124 . LEU . 7302 1 125 . GLU . 7302 1 126 . LYS . 7302 1 127 . GLU . 7302 1 128 . GLU . 7302 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 . GLN 1 1 7302 1 . PHE 2 2 7302 1 . ASP 3 3 7302 1 . LEU 4 4 7302 1 . THR 5 5 7302 1 . VAL 6 6 7302 1 . GLY 7 7 7302 1 . ILE 8 8 7302 1 . THR 9 9 7302 1 . ASP 10 10 7302 1 . PRO 11 11 7302 1 . GLU 12 12 7302 1 . LYS 13 13 7302 1 . ILE 14 14 7302 1 . GLY 15 15 7302 1 . ASP 16 16 7302 1 . GLY 17 17 7302 1 . MET 18 18 7302 1 . ASN 19 19 7302 1 . ALA 20 20 7302 1 . TYR 21 21 7302 1 . VAL 22 22 7302 1 . ALA 23 23 7302 1 . TYR 24 24 7302 1 . LYS 25 25 7302 1 . VAL 26 26 7302 1 . THR 27 27 7302 1 . THR 28 28 7302 1 . GLN 29 29 7302 1 . THR 30 30 7302 1 . SER 31 31 7302 1 . LEU 32 32 7302 1 . PRO 33 33 7302 1 . LEU 34 34 7302 1 . PHE 35 35 7302 1 . ARG 36 36 7302 1 . SER 37 37 7302 1 . LYS 38 38 7302 1 . GLN 39 39 7302 1 . PHE 40 40 7302 1 . ALA 41 41 7302 1 . VAL 42 42 7302 1 . LYS 43 43 7302 1 . ARG 44 44 7302 1 . ARG 45 45 7302 1 . PHE 46 46 7302 1 . SER 47 47 7302 1 . ASP 48 48 7302 1 . PHE 49 49 7302 1 . LEU 50 50 7302 1 . GLY 51 51 7302 1 . LEU 52 52 7302 1 . TYR 53 53 7302 1 . GLU 54 54 7302 1 . LYS 55 55 7302 1 . LEU 56 56 7302 1 . SER 57 57 7302 1 . GLU 58 58 7302 1 . LYS 59 59 7302 1 . HIS 60 60 7302 1 . SER 61 61 7302 1 . GLN 62 62 7302 1 . ASN 63 63 7302 1 . GLY 64 64 7302 1 . PHE 65 65 7302 1 . ILE 66 66 7302 1 . VAL 67 67 7302 1 . PRO 68 68 7302 1 . PRO 69 69 7302 1 . PRO 70 70 7302 1 . PRO 71 71 7302 1 . GLU 72 72 7302 1 . LYS 73 73 7302 1 . SER 74 74 7302 1 . LEU 75 75 7302 1 . ILE 76 76 7302 1 . GLY 77 77 7302 1 . MET 78 78 7302 1 . THR 79 79 7302 1 . LYS 80 80 7302 1 . VAL 81 81 7302 1 . LYS 82 82 7302 1 . VAL 83 83 7302 1 . GLY 84 84 7302 1 . LYS 85 85 7302 1 . GLU 86 86 7302 1 . ASP 87 87 7302 1 . SER 88 88 7302 1 . SER 89 89 7302 1 . SER 90 90 7302 1 . ALA 91 91 7302 1 . GLU 92 92 7302 1 . PHE 93 93 7302 1 . LEU 94 94 7302 1 . GLU 95 95 7302 1 . LYS 96 96 7302 1 . ARG 97 97 7302 1 . ARG 98 98 7302 1 . ALA 99 99 7302 1 . ALA 100 100 7302 1 . LEU 101 101 7302 1 . GLU 102 102 7302 1 . ARG 103 103 7302 1 . TYR 104 104 7302 1 . LEU 105 105 7302 1 . GLN 106 106 7302 1 . ARG 107 107 7302 1 . ILE 108 108 7302 1 . VAL 109 109 7302 1 . ASN 110 110 7302 1 . HIS 111 111 7302 1 . PRO 112 112 7302 1 . THR 113 113 7302 1 . MET 114 114 7302 1 . LEU 115 115 7302 1 . GLN 116 116 7302 1 . ASP 117 117 7302 1 . PRO 118 118 7302 1 . ASP 119 119 7302 1 . VAL 120 120 7302 1 . ARG 121 121 7302 1 . GLU 122 122 7302 1 . PHE 123 123 7302 1 . LEU 124 124 7302 1 . GLU 125 125 7302 1 . LYS 126 126 7302 1 . GLU 127 127 7302 1 . GLU 128 128 7302 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 7302 _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 $PX_domain . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7302 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 7302 _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 $PX_domain . 'recombinant technology' . 'E. Coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 7302 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7302 _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 SNX1-PX '[U-13C; U-15N]' . . 1 $PX_domain . protein 1 . . mM . . . . 7302 1 2 Phosphate . . . . . . buffer 20 . . mM . . . . 7302 1 3 NaCl . . . . . . salt 100 . . mM . . . . 7302 1 4 NaN3 . . . . . . 'antimicrobial agent' 1 . . mM . . . . 7302 1 5 D20 . . . . . . solvent 10 . . % . . . . 7302 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7302 _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 6.5 0.05 pH 7302 1 temperature 298 0.1 K 7302 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 7302 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Accelrys . . 7302 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 7302 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7302 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 7302 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7302 _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-HSQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7302 1 2 13C-HSQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7302 1 3 HNCA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7302 1 4 HNCO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7302 1 5 HNCACB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7302 1 6 CBCA(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7302 1 7 HN(CA)CO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7302 1 8 CCH-TOCSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7302 1 9 HCCH-TOCSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7302 1 10 15N,13C-NOESY-HSQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7302 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7302 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7302 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 internal indirect 1.0 . . . . . . . . . 7302 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7302 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7302 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 7302 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN C C 13 177.316 0.10 . 1 . . . . 1 GLN CO . 7302 1 2 . 1 1 1 1 GLN CA C 13 59.515 0.10 . 1 . . . . 1 GLN CA . 7302 1 3 . 1 1 1 1 GLN CB C 13 27.761 0.10 . 1 . . . . 1 GLN CB . 7302 1 4 . 1 1 2 2 PHE H H 1 8.153 0.02 . 1 . . . . 2 PHE HN . 7302 1 5 . 1 1 2 2 PHE HA H 1 4.677 0.02 . 1 . . . . 2 PHE HA . 7302 1 6 . 1 1 2 2 PHE HB2 H 1 3.125 0.02 . 2 . . . . 2 PHE HB2 . 7302 1 7 . 1 1 2 2 PHE HB3 H 1 2.789 0.02 . 2 . . . . 2 PHE HB3 . 7302 1 8 . 1 1 2 2 PHE HD1 H 1 7.138 0.02 . 1 . . . . 2 PHE HD1 . 7302 1 9 . 1 1 2 2 PHE HD2 H 1 7.138 0.02 . 1 . . . . 2 PHE HD2 . 7302 1 10 . 1 1 2 2 PHE C C 13 175.320 0.10 . 1 . . . . 2 PHE CO . 7302 1 11 . 1 1 2 2 PHE CA C 13 56.502 0.10 . 1 . . . . 2 PHE CA . 7302 1 12 . 1 1 2 2 PHE CB C 13 39.980 0.10 . 1 . . . . 2 PHE CB . 7302 1 13 . 1 1 2 2 PHE CD1 C 13 131.909 0.10 . 1 . . . . 2 PHE CD1 . 7302 1 14 . 1 1 2 2 PHE CD2 C 13 131.909 0.10 . 1 . . . . 2 PHE CD2 . 7302 1 15 . 1 1 2 2 PHE N N 15 119.098 0.10 . 1 . . . . 2 PHE N . 7302 1 16 . 1 1 3 3 ASP H H 1 8.380 0.02 . 1 . . . . 3 ASP HN . 7302 1 17 . 1 1 3 3 ASP HA H 1 4.578 0.02 . 1 . . . . 3 ASP HA . 7302 1 18 . 1 1 3 3 ASP HB2 H 1 2.603 0.02 . 2 . . . . 3 ASP HB2 . 7302 1 19 . 1 1 3 3 ASP HB3 H 1 2.491 0.02 . 2 . . . . 3 ASP HB3 . 7302 1 20 . 1 1 3 3 ASP C C 13 175.236 0.10 . 1 . . . . 3 ASP CO . 7302 1 21 . 1 1 3 3 ASP CA C 13 54.723 0.10 . 1 . . . . 3 ASP CA . 7302 1 22 . 1 1 3 3 ASP CB C 13 41.154 0.10 . 1 . . . . 3 ASP CB . 7302 1 23 . 1 1 3 3 ASP N N 15 120.820 0.10 . 1 . . . . 3 ASP N . 7302 1 24 . 1 1 4 4 LEU H H 1 8.002 0.02 . 1 . . . . 4 LEU HN . 7302 1 25 . 1 1 4 4 LEU HA H 1 4.727 0.02 . 1 . . . . 4 LEU HA . 7302 1 26 . 1 1 4 4 LEU HB2 H 1 1.477 0.02 . 2 . . . . 4 LEU HB2 . 7302 1 27 . 1 1 4 4 LEU HG H 1 1.308 0.02 . 1 . . . . 4 LEU HG . 7302 1 28 . 1 1 4 4 LEU HD11 H 1 0.635 0.02 . 2 . . . . 4 LEU HD1# . 7302 1 29 . 1 1 4 4 LEU HD12 H 1 0.635 0.02 . 2 . . . . 4 LEU HD1# . 7302 1 30 . 1 1 4 4 LEU HD13 H 1 0.635 0.02 . 2 . . . . 4 LEU HD1# . 7302 1 31 . 1 1 4 4 LEU HD21 H 1 0.665 0.02 . 2 . . . . 4 LEU HD2# . 7302 1 32 . 1 1 4 4 LEU HD22 H 1 0.665 0.02 . 2 . . . . 4 LEU HD2# . 7302 1 33 . 1 1 4 4 LEU HD23 H 1 0.665 0.02 . 2 . . . . 4 LEU HD2# . 7302 1 34 . 1 1 4 4 LEU C C 13 174.510 0.10 . 1 . . . . 4 LEU CO . 7302 1 35 . 1 1 4 4 LEU CA C 13 56.245 0.10 . 1 . . . . 4 LEU CA . 7302 1 36 . 1 1 4 4 LEU CB C 13 43.910 0.10 . 1 . . . . 4 LEU CB . 7302 1 37 . 1 1 4 4 LEU CG C 13 27.396 0.10 . 1 . . . . 4 LEU CG . 7302 1 38 . 1 1 4 4 LEU CD1 C 13 25.752 0.10 . 2 . . . . 4 LEU CD1 . 7302 1 39 . 1 1 4 4 LEU CD2 C 13 26.458 0.10 . 2 . . . . 4 LEU CD2 . 7302 1 40 . 1 1 4 4 LEU N N 15 124.048 0.10 . 1 . . . . 4 LEU N . 7302 1 41 . 1 1 5 5 THR H H 1 9.024 0.02 . 1 . . . . 5 THR HN . 7302 1 42 . 1 1 5 5 THR HA H 1 4.670 0.02 . 1 . . . . 5 THR HA . 7302 1 43 . 1 1 5 5 THR HB H 1 3.897 0.02 . 1 . . . . 5 THR HB . 7302 1 44 . 1 1 5 5 THR HG21 H 1 1.049 0.02 . 1 . . . . 5 THR HG2 . 7302 1 45 . 1 1 5 5 THR HG22 H 1 1.049 0.02 . 1 . . . . 5 THR HG2 . 7302 1 46 . 1 1 5 5 THR HG23 H 1 1.049 0.02 . 1 . . . . 5 THR HG2 . 7302 1 47 . 1 1 5 5 THR C C 13 172.781 0.10 . 1 . . . . 5 THR CO . 7302 1 48 . 1 1 5 5 THR CA C 13 61.095 0.10 . 1 . . . . 5 THR CA . 7302 1 49 . 1 1 5 5 THR CB C 13 71.397 0.10 . 1 . . . . 5 THR CB . 7302 1 50 . 1 1 5 5 THR CG2 C 13 21.253 0.10 . 1 . . . . 5 THR CG2 . 7302 1 51 . 1 1 5 5 THR N N 15 121.543 0.10 . 1 . . . . 5 THR N . 7302 1 52 . 1 1 6 6 VAL H H 1 8.537 0.02 . 1 . . . . 6 VAL HN . 7302 1 53 . 1 1 6 6 VAL HA H 1 5.259 0.02 . 1 . . . . 6 VAL HA . 7302 1 54 . 1 1 6 6 VAL HB H 1 1.697 0.02 . 1 . . . . 6 VAL HB . 7302 1 55 . 1 1 6 6 VAL HG11 H 1 0.705 0.02 . 2 . . . . 6 VAL HG1# . 7302 1 56 . 1 1 6 6 VAL HG12 H 1 0.705 0.02 . 2 . . . . 6 VAL HG1# . 7302 1 57 . 1 1 6 6 VAL HG13 H 1 0.705 0.02 . 2 . . . . 6 VAL HG1# . 7302 1 58 . 1 1 6 6 VAL HG21 H 1 0.722 0.02 . 2 . . . . 6 VAL HG2# . 7302 1 59 . 1 1 6 6 VAL HG22 H 1 0.722 0.02 . 2 . . . . 6 VAL HG2# . 7302 1 60 . 1 1 6 6 VAL HG23 H 1 0.722 0.02 . 2 . . . . 6 VAL HG2# . 7302 1 61 . 1 1 6 6 VAL C C 13 174.506 0.10 . 1 . . . . 6 VAL CO . 7302 1 62 . 1 1 6 6 VAL CA C 13 58.889 0.10 . 1 . . . . 6 VAL CA . 7302 1 63 . 1 1 6 6 VAL CB C 13 35.331 0.10 . 1 . . . . 6 VAL CB . 7302 1 64 . 1 1 6 6 VAL CG1 C 13 20.533 0.10 . 2 . . . . 6 VAL CG1 . 7302 1 65 . 1 1 6 6 VAL CG2 C 13 21.572 0.10 . 2 . . . . 6 VAL CG2 . 7302 1 66 . 1 1 6 6 VAL N N 15 121.417 0.10 . 1 . . . . 6 VAL N . 7302 1 67 . 1 1 7 7 GLY H H 1 8.678 0.02 . 1 . . . . 7 GLY HN . 7302 1 68 . 1 1 7 7 GLY HA2 H 1 4.589 0.02 . 2 . . . . 7 GLY HA2 . 7302 1 69 . 1 1 7 7 GLY HA3 H 1 3.534 0.02 . 2 . . . . 7 GLY HA3 . 7302 1 70 . 1 1 7 7 GLY C C 13 172.110 0.10 . 1 . . . . 7 GLY CO . 7302 1 71 . 1 1 7 7 GLY CA C 13 43.754 0.10 . 1 . . . . 7 GLY CA . 7302 1 72 . 1 1 7 7 GLY N N 15 111.798 0.10 . 1 . . . . 7 GLY N . 7302 1 73 . 1 1 8 8 ILE H H 1 9.517 0.02 . 1 . . . . 8 ILE HN . 7302 1 74 . 1 1 8 8 ILE HA H 1 5.445 0.02 . 1 . . . . 8 ILE HA . 7302 1 75 . 1 1 8 8 ILE HB H 1 1.643 0.02 . 1 . . . . 8 ILE HB . 7302 1 76 . 1 1 8 8 ILE HG12 H 1 1.142 0.02 . 2 . . . . 8 ILE HG12 . 7302 1 77 . 1 1 8 8 ILE HG13 H 1 1.465 0.02 . 2 . . . . 8 ILE HG13 . 7302 1 78 . 1 1 8 8 ILE HG21 H 1 0.829 0.02 . 1 . . . . 8 ILE HG2 . 7302 1 79 . 1 1 8 8 ILE HG22 H 1 0.829 0.02 . 1 . . . . 8 ILE HG2 . 7302 1 80 . 1 1 8 8 ILE HG23 H 1 0.829 0.02 . 1 . . . . 8 ILE HG2 . 7302 1 81 . 1 1 8 8 ILE HD11 H 1 0.778 0.02 . 1 . . . . 8 ILE HD1 . 7302 1 82 . 1 1 8 8 ILE HD12 H 1 0.778 0.02 . 1 . . . . 8 ILE HD1 . 7302 1 83 . 1 1 8 8 ILE HD13 H 1 0.778 0.02 . 1 . . . . 8 ILE HD1 . 7302 1 84 . 1 1 8 8 ILE C C 13 175.200 0.10 . 1 . . . . 8 ILE CO . 7302 1 85 . 1 1 8 8 ILE CA C 13 59.996 0.10 . 1 . . . . 8 ILE CA . 7302 1 86 . 1 1 8 8 ILE CB C 13 39.123 0.10 . 1 . . . . 8 ILE CB . 7302 1 87 . 1 1 8 8 ILE CG1 C 13 27.091 0.10 . 1 . . . . 8 ILE CG1 . 7302 1 88 . 1 1 8 8 ILE CG2 C 13 18.889 0.10 . 1 . . . . 8 ILE CG2 . 7302 1 89 . 1 1 8 8 ILE CD1 C 13 13.065 0.10 . 1 . . . . 8 ILE CD1 . 7302 1 90 . 1 1 8 8 ILE N N 15 122.738 0.10 . 1 . . . . 8 ILE N . 7302 1 91 . 1 1 9 9 THR H H 1 9.299 0.02 . 1 . . . . 9 THR HN . 7302 1 92 . 1 1 9 9 THR HA H 1 4.780 0.02 . 1 . . . . 9 THR HA . 7302 1 93 . 1 1 9 9 THR HB H 1 4.243 0.02 . 1 . . . . 9 THR HB . 7302 1 94 . 1 1 9 9 THR HG21 H 1 1.031 0.02 . 1 . . . . 9 THR HG2 . 7302 1 95 . 1 1 9 9 THR HG22 H 1 1.031 0.02 . 1 . . . . 9 THR HG2 . 7302 1 96 . 1 1 9 9 THR HG23 H 1 1.031 0.02 . 1 . . . . 9 THR HG2 . 7302 1 97 . 1 1 9 9 THR C C 13 172.714 0.10 . 1 . . . . 9 THR CO . 7302 1 98 . 1 1 9 9 THR CA C 13 59.528 0.10 . 1 . . . . 9 THR CA . 7302 1 99 . 1 1 9 9 THR CB C 13 73.126 0.10 . 1 . . . . 9 THR CB . 7302 1 100 . 1 1 9 9 THR CG2 C 13 21.709 0.10 . 1 . . . . 9 THR CG2 . 7302 1 101 . 1 1 9 9 THR N N 15 117.676 0.10 . 1 . . . . 9 THR N . 7302 1 102 . 1 1 10 10 ASP H H 1 8.719 0.02 . 1 . . . . 10 ASP HN . 7302 1 103 . 1 1 10 10 ASP HA H 1 4.245 0.02 . 1 . . . . 10 ASP HA . 7302 1 104 . 1 1 10 10 ASP HB2 H 1 2.548 0.02 . 2 . . . . 10 ASP HB2 . 7302 1 105 . 1 1 10 10 ASP HB3 H 1 2.664 0.02 . 2 . . . . 10 ASP HB3 . 7302 1 106 . 1 1 10 10 ASP C C 13 171.505 0.10 . 1 . . . . 10 ASP CO . 7302 1 107 . 1 1 10 10 ASP CA C 13 54.823 0.10 . 1 . . . . 10 ASP CA . 7302 1 108 . 1 1 10 10 ASP CB C 13 41.274 0.10 . 1 . . . . 10 ASP CB . 7302 1 109 . 1 1 10 10 ASP N N 15 114.097 0.10 . 1 . . . . 10 ASP N . 7302 1 110 . 1 1 11 11 PRO HA H 1 4.511 0.02 . 1 . . . . 11 PRO HA . 7302 1 111 . 1 1 11 11 PRO HB2 H 1 1.715 0.02 . 2 . . . . 11 PRO HB2 . 7302 1 112 . 1 1 11 11 PRO HB3 H 1 1.503 0.02 . 2 . . . . 11 PRO HB3 . 7302 1 113 . 1 1 11 11 PRO HG2 H 1 2.110 0.02 . 2 . . . . 11 PRO HG2 . 7302 1 114 . 1 1 11 11 PRO HG3 H 1 1.772 0.02 . 2 . . . . 11 PRO HG3 . 7302 1 115 . 1 1 11 11 PRO HD2 H 1 3.411 0.02 . 2 . . . . 11 PRO HD2 . 7302 1 116 . 1 1 11 11 PRO HD3 H 1 3.710 0.02 . 2 . . . . 11 PRO HD3 . 7302 1 117 . 1 1 11 11 PRO C C 13 177.595 0.10 . 1 . . . . 11 PRO CO . 7302 1 118 . 1 1 11 11 PRO CA C 13 62.544 0.10 . 1 . . . . 11 PRO CA . 7302 1 119 . 1 1 11 11 PRO CB C 13 31.410 0.10 . 1 . . . . 11 PRO CB . 7302 1 120 . 1 1 11 11 PRO CG C 13 27.911 0.10 . 1 . . . . 11 PRO CG . 7302 1 121 . 1 1 11 11 PRO CD C 13 50.273 0.10 . 1 . . . . 11 PRO CD . 7302 1 122 . 1 1 12 12 GLU H H 1 8.822 0.02 . 1 . . . . 12 GLU HN . 7302 1 123 . 1 1 12 12 GLU HA H 1 4.387 0.02 . 1 . . . . 12 GLU HA . 7302 1 124 . 1 1 12 12 GLU HB2 H 1 1.759 0.02 . 2 . . . . 12 GLU HB2 . 7302 1 125 . 1 1 12 12 GLU HB3 H 1 1.667 0.02 . 2 . . . . 12 GLU HB3 . 7302 1 126 . 1 1 12 12 GLU HG2 H 1 2.053 0.02 . 2 . . . . 12 GLU HG2 . 7302 1 127 . 1 1 12 12 GLU HG3 H 1 1.897 0.02 . 2 . . . . 12 GLU HG3 . 7302 1 128 . 1 1 12 12 GLU C C 13 173.657 0.10 . 1 . . . . 12 GLU CO . 7302 1 129 . 1 1 12 12 GLU CA C 13 54.614 0.10 . 1 . . . . 12 GLU CA . 7302 1 130 . 1 1 12 12 GLU CB C 13 33.315 0.10 . 1 . . . . 12 GLU CB . 7302 1 131 . 1 1 12 12 GLU CG C 13 35.371 0.10 . 1 . . . . 12 GLU CG . 7302 1 132 . 1 1 12 12 GLU N N 15 124.555 0.10 . 1 . . . . 12 GLU N . 7302 1 133 . 1 1 13 13 LYS H H 1 8.577 0.02 . 1 . . . . 13 LYS HN . 7302 1 134 . 1 1 13 13 LYS HA H 1 4.360 0.02 . 1 . . . . 13 LYS HA . 7302 1 135 . 1 1 13 13 LYS HB2 H 1 1.418 0.02 . 2 . . . . 13 LYS HB2 . 7302 1 136 . 1 1 13 13 LYS HB3 H 1 1.647 0.02 . 2 . . . . 13 LYS HB3 . 7302 1 137 . 1 1 13 13 LYS HG2 H 1 1.072 0.02 . 2 . . . . 13 LYS HG2 . 7302 1 138 . 1 1 13 13 LYS HD2 H 1 1.478 0.02 . 2 . . . . 13 LYS HD2 . 7302 1 139 . 1 1 13 13 LYS HE2 H 1 2.771 0.02 . 2 . . . . 13 LYS HE2 . 7302 1 140 . 1 1 13 13 LYS C C 13 175.143 0.10 . 1 . . . . 13 LYS CO . 7302 1 141 . 1 1 13 13 LYS CA C 13 56.046 0.10 . 1 . . . . 13 LYS CA . 7302 1 142 . 1 1 13 13 LYS CB C 13 32.933 0.10 . 1 . . . . 13 LYS CB . 7302 1 143 . 1 1 13 13 LYS CG C 13 24.749 0.10 . 1 . . . . 13 LYS CG . 7302 1 144 . 1 1 13 13 LYS CD C 13 29.342 0.10 . 1 . . . . 13 LYS CD . 7302 1 145 . 1 1 13 13 LYS CE C 13 41.682 0.10 . 1 . . . . 13 LYS CE . 7302 1 146 . 1 1 13 13 LYS N N 15 125.524 0.10 . 1 . . . . 13 LYS N . 7302 1 147 . 1 1 14 14 ILE H H 1 9.032 0.02 . 1 . . . . 14 ILE HN . 7302 1 148 . 1 1 14 14 ILE HA H 1 3.925 0.02 . 1 . . . . 14 ILE HA . 7302 1 149 . 1 1 14 14 ILE HB H 1 0.655 0.02 . 1 . . . . 14 ILE HB . 7302 1 150 . 1 1 14 14 ILE HG12 H 1 0.954 0.02 . 2 . . . . 14 ILE HG12 . 7302 1 151 . 1 1 14 14 ILE HG13 H 1 0.892 0.02 . 2 . . . . 14 ILE HG13 . 7302 1 152 . 1 1 14 14 ILE HG21 H 1 0.589 0.02 . 1 . . . . 14 ILE HG2 . 7302 1 153 . 1 1 14 14 ILE HG22 H 1 0.589 0.02 . 1 . . . . 14 ILE HG2 . 7302 1 154 . 1 1 14 14 ILE HG23 H 1 0.589 0.02 . 1 . . . . 14 ILE HG2 . 7302 1 155 . 1 1 14 14 ILE HD11 H 1 0.477 0.02 . 1 . . . . 14 ILE HD1 . 7302 1 156 . 1 1 14 14 ILE HD12 H 1 0.477 0.02 . 1 . . . . 14 ILE HD1 . 7302 1 157 . 1 1 14 14 ILE HD13 H 1 0.477 0.02 . 1 . . . . 14 ILE HD1 . 7302 1 158 . 1 1 14 14 ILE C C 13 175.278 0.10 . 1 . . . . 14 ILE CO . 7302 1 159 . 1 1 14 14 ILE CA C 13 59.687 0.10 . 1 . . . . 14 ILE CA . 7302 1 160 . 1 1 14 14 ILE CB C 13 37.571 0.10 . 1 . . . . 14 ILE CB . 7302 1 161 . 1 1 14 14 ILE CG1 C 13 26.772 0.10 . 1 . . . . 14 ILE CG1 . 7302 1 162 . 1 1 14 14 ILE CG2 C 13 16.878 0.10 . 1 . . . . 14 ILE CG2 . 7302 1 163 . 1 1 14 14 ILE CD1 C 13 11.329 0.10 . 1 . . . . 14 ILE CD1 . 7302 1 164 . 1 1 14 14 ILE N N 15 130.833 0.10 . 1 . . . . 14 ILE N . 7302 1 165 . 1 1 15 15 GLY H H 1 8.188 0.02 . 1 . . . . 15 GLY HN . 7302 1 166 . 1 1 15 15 GLY HA2 H 1 4.136 0.02 . 2 . . . . 15 GLY HA2 . 7302 1 167 . 1 1 15 15 GLY HA3 H 1 3.562 0.02 . 2 . . . . 15 GLY HA3 . 7302 1 168 . 1 1 15 15 GLY C C 13 172.562 0.10 . 1 . . . . 15 GLY CO . 7302 1 169 . 1 1 15 15 GLY CA C 13 43.853 0.10 . 1 . . . . 15 GLY CA . 7302 1 170 . 1 1 15 15 GLY N N 15 112.216 0.10 . 1 . . . . 15 GLY N . 7302 1 171 . 1 1 16 16 ASP H H 1 8.013 0.02 . 1 . . . . 16 ASP HN . 7302 1 172 . 1 1 16 16 ASP HA H 1 4.720 0.02 . 1 . . . . 16 ASP HA . 7302 1 173 . 1 1 16 16 ASP HB2 H 1 2.452 0.02 . 2 . . . . 16 ASP HB2 . 7302 1 174 . 1 1 16 16 ASP C C 13 175.901 0.10 . 1 . . . . 16 ASP CO . 7302 1 175 . 1 1 16 16 ASP CA C 13 53.092 0.10 . 1 . . . . 16 ASP CA . 7302 1 176 . 1 1 16 16 ASP CB C 13 43.864 0.10 . 1 . . . . 16 ASP CB . 7302 1 177 . 1 1 16 16 ASP N N 15 116.124 0.10 . 1 . . . . 16 ASP N . 7302 1 178 . 1 1 17 17 GLY H H 1 8.505 0.02 . 1 . . . . 17 GLY HN . 7302 1 179 . 1 1 17 17 GLY HA2 H 1 3.721 0.02 . 2 . . . . 17 GLY HA2 . 7302 1 180 . 1 1 17 17 GLY C C 13 176.129 0.10 . 1 . . . . 17 GLY CO . 7302 1 181 . 1 1 17 17 GLY CA C 13 45.728 0.10 . 1 . . . . 17 GLY CA . 7302 1 182 . 1 1 17 17 GLY N N 15 109.883 0.10 . 1 . . . . 17 GLY N . 7302 1 183 . 1 1 18 18 MET H H 1 8.857 0.02 . 1 . . . . 18 MET HN . 7302 1 184 . 1 1 18 18 MET C C 13 176.518 0.10 . 1 . . . . 18 MET CO . 7302 1 185 . 1 1 18 18 MET CA C 13 57.015 0.10 . 1 . . . . 18 MET CA . 7302 1 186 . 1 1 18 18 MET CB C 13 32.020 0.10 . 1 . . . . 18 MET CB . 7302 1 187 . 1 1 18 18 MET N N 15 122.615 0.10 . 1 . . . . 18 MET N . 7302 1 188 . 1 1 19 19 ASN H H 1 8.207 0.02 . 1 . . . . 19 ASN HN . 7302 1 189 . 1 1 19 19 ASN HA H 1 4.822 0.02 . 1 . . . . 19 ASN HA . 7302 1 190 . 1 1 19 19 ASN HB2 H 1 2.922 0.02 . 2 . . . . 19 ASN HB2 . 7302 1 191 . 1 1 19 19 ASN HB3 H 1 2.795 0.02 . 2 . . . . 19 ASN HB3 . 7302 1 192 . 1 1 19 19 ASN C C 13 174.718 0.10 . 1 . . . . 19 ASN CO . 7302 1 193 . 1 1 19 19 ASN CA C 13 52.667 0.10 . 1 . . . . 19 ASN CA . 7302 1 194 . 1 1 19 19 ASN CB C 13 38.955 0.10 . 1 . . . . 19 ASN CB . 7302 1 195 . 1 1 19 19 ASN N N 15 115.712 0.10 . 1 . . . . 19 ASN N . 7302 1 196 . 1 1 20 20 ALA H H 1 7.204 0.02 . 1 . . . . 20 ALA HN . 7302 1 197 . 1 1 20 20 ALA HA H 1 4.638 0.02 . 1 . . . . 20 ALA HA . 7302 1 198 . 1 1 20 20 ALA HB1 H 1 1.009 0.02 . 1 . . . . 20 ALA HB . 7302 1 199 . 1 1 20 20 ALA HB2 H 1 1.009 0.02 . 1 . . . . 20 ALA HB . 7302 1 200 . 1 1 20 20 ALA HB3 H 1 1.009 0.02 . 1 . . . . 20 ALA HB . 7302 1 201 . 1 1 20 20 ALA C C 13 176.931 0.10 . 1 . . . . 20 ALA CO . 7302 1 202 . 1 1 20 20 ALA CA C 13 52.288 0.10 . 1 . . . . 20 ALA CA . 7302 1 203 . 1 1 20 20 ALA CB C 13 19.973 0.10 . 1 . . . . 20 ALA CB . 7302 1 204 . 1 1 20 20 ALA N N 15 123.478 0.10 . 1 . . . . 20 ALA N . 7302 1 205 . 1 1 21 21 TYR H H 1 8.491 0.02 . 1 . . . . 21 TYR HN . 7302 1 206 . 1 1 21 21 TYR HA H 1 4.938 0.02 . 1 . . . . 21 TYR HA . 7302 1 207 . 1 1 21 21 TYR HB2 H 1 3.010 0.02 . 2 . . . . 21 TYR HB2 . 7302 1 208 . 1 1 21 21 TYR HD1 H 1 6.917 0.02 . 1 . . . . 21 TYR HD1 . 7302 1 209 . 1 1 21 21 TYR HD2 H 1 6.917 0.02 . 1 . . . . 21 TYR HD2 . 7302 1 210 . 1 1 21 21 TYR HE1 H 1 6.576 0.02 . 1 . . . . 21 TYR HE1 . 7302 1 211 . 1 1 21 21 TYR HE2 H 1 6.576 0.02 . 1 . . . . 21 TYR HE2 . 7302 1 212 . 1 1 21 21 TYR C C 13 172.294 0.10 . 1 . . . . 21 TYR CO . 7302 1 213 . 1 1 21 21 TYR CA C 13 55.718 0.10 . 1 . . . . 21 TYR CA . 7302 1 214 . 1 1 21 21 TYR CB C 13 40.861 0.10 . 1 . . . . 21 TYR CB . 7302 1 215 . 1 1 21 21 TYR CD1 C 13 133.696 0.10 . 1 . . . . 21 TYR CD1 . 7302 1 216 . 1 1 21 21 TYR CD2 C 13 133.696 0.10 . 1 . . . . 21 TYR CD2 . 7302 1 217 . 1 1 21 21 TYR CE1 C 13 117.538 0.10 . 1 . . . . 21 TYR CE1 . 7302 1 218 . 1 1 21 21 TYR CE2 C 13 117.538 0.10 . 1 . . . . 21 TYR CE2 . 7302 1 219 . 1 1 21 21 TYR N N 15 117.805 0.10 . 1 . . . . 21 TYR N . 7302 1 220 . 1 1 22 22 VAL H H 1 8.156 0.02 . 1 . . . . 22 VAL HN . 7302 1 221 . 1 1 22 22 VAL HA H 1 4.601 0.02 . 1 . . . . 22 VAL HA . 7302 1 222 . 1 1 22 22 VAL HB H 1 1.867 0.02 . 1 . . . . 22 VAL HB . 7302 1 223 . 1 1 22 22 VAL HG11 H 1 0.754 0.02 . 2 . . . . 22 VAL HG1# . 7302 1 224 . 1 1 22 22 VAL HG12 H 1 0.754 0.02 . 2 . . . . 22 VAL HG1# . 7302 1 225 . 1 1 22 22 VAL HG13 H 1 0.754 0.02 . 2 . . . . 22 VAL HG1# . 7302 1 226 . 1 1 22 22 VAL HG21 H 1 0.245 0.02 . 2 . . . . 22 VAL HG2# . 7302 1 227 . 1 1 22 22 VAL HG22 H 1 0.245 0.02 . 2 . . . . 22 VAL HG2# . 7302 1 228 . 1 1 22 22 VAL HG23 H 1 0.245 0.02 . 2 . . . . 22 VAL HG2# . 7302 1 229 . 1 1 22 22 VAL C C 13 175.074 0.10 . 1 . . . . 22 VAL CO . 7302 1 230 . 1 1 22 22 VAL CA C 13 60.943 0.10 . 1 . . . . 22 VAL CA . 7302 1 231 . 1 1 22 22 VAL CB C 13 33.277 0.10 . 1 . . . . 22 VAL CB . 7302 1 232 . 1 1 22 22 VAL CG1 C 13 22.098 0.10 . 2 . . . . 22 VAL CG1 . 7302 1 233 . 1 1 22 22 VAL CG2 C 13 21.261 0.10 . 2 . . . . 22 VAL CG2 . 7302 1 234 . 1 1 22 22 VAL N N 15 119.789 0.10 . 1 . . . . 22 VAL N . 7302 1 235 . 1 1 23 23 ALA H H 1 8.925 0.02 . 1 . . . . 23 ALA HN . 7302 1 236 . 1 1 23 23 ALA HA H 1 4.970 0.02 . 1 . . . . 23 ALA HA . 7302 1 237 . 1 1 23 23 ALA HB1 H 1 1.280 0.02 . 1 . . . . 23 ALA HB . 7302 1 238 . 1 1 23 23 ALA HB2 H 1 1.280 0.02 . 1 . . . . 23 ALA HB . 7302 1 239 . 1 1 23 23 ALA HB3 H 1 1.280 0.02 . 1 . . . . 23 ALA HB . 7302 1 240 . 1 1 23 23 ALA C C 13 174.913 0.10 . 1 . . . . 23 ALA CO . 7302 1 241 . 1 1 23 23 ALA CA C 13 49.812 0.10 . 1 . . . . 23 ALA CA . 7302 1 242 . 1 1 23 23 ALA CB C 13 22.339 0.10 . 1 . . . . 23 ALA CB . 7302 1 243 . 1 1 23 23 ALA N N 15 129.765 0.10 . 1 . . . . 23 ALA N . 7302 1 244 . 1 1 24 24 TYR H H 1 9.161 0.02 . 1 . . . . 24 TYR HN . 7302 1 245 . 1 1 24 24 TYR HA H 1 4.392 0.02 . 1 . . . . 24 TYR HA . 7302 1 246 . 1 1 24 24 TYR HB2 H 1 2.842 0.02 . 2 . . . . 24 TYR HB2 . 7302 1 247 . 1 1 24 24 TYR HB3 H 1 2.672 0.02 . 2 . . . . 24 TYR HB3 . 7302 1 248 . 1 1 24 24 TYR HD1 H 1 6.873 0.02 . 1 . . . . 24 TYR HD1 . 7302 1 249 . 1 1 24 24 TYR HD2 H 1 6.873 0.02 . 1 . . . . 24 TYR HD2 . 7302 1 250 . 1 1 24 24 TYR HE1 H 1 6.495 0.02 . 1 . . . . 24 TYR HE1 . 7302 1 251 . 1 1 24 24 TYR HE2 H 1 6.495 0.02 . 1 . . . . 24 TYR HE2 . 7302 1 252 . 1 1 24 24 TYR C C 13 174.532 0.10 . 1 . . . . 24 TYR CO . 7302 1 253 . 1 1 24 24 TYR CA C 13 57.175 0.10 . 1 . . . . 24 TYR CA . 7302 1 254 . 1 1 24 24 TYR CB C 13 41.471 0.10 . 1 . . . . 24 TYR CB . 7302 1 255 . 1 1 24 24 TYR CD1 C 13 132.530 0.10 . 1 . . . . 24 TYR CD1 . 7302 1 256 . 1 1 24 24 TYR CD2 C 13 132.530 0.10 . 1 . . . . 24 TYR CD2 . 7302 1 257 . 1 1 24 24 TYR CE1 C 13 117.290 0.10 . 1 . . . . 24 TYR CE1 . 7302 1 258 . 1 1 24 24 TYR CE2 C 13 117.290 0.10 . 1 . . . . 24 TYR CE2 . 7302 1 259 . 1 1 24 24 TYR N N 15 118.275 0.10 . 1 . . . . 24 TYR N . 7302 1 260 . 1 1 25 25 LYS H H 1 8.481 0.02 . 1 . . . . 25 LYS HN . 7302 1 261 . 1 1 25 25 LYS HA H 1 4.743 0.02 . 1 . . . . 25 LYS HA . 7302 1 262 . 1 1 25 25 LYS HB2 H 1 1.580 0.02 . 2 . . . . 25 LYS HB2 . 7302 1 263 . 1 1 25 25 LYS HG2 H 1 1.122 0.02 . 2 . . . . 25 LYS HG2 . 7302 1 264 . 1 1 25 25 LYS HG3 H 1 1.055 0.02 . 2 . . . . 25 LYS HG3 . 7302 1 265 . 1 1 25 25 LYS HD2 H 1 1.446 0.02 . 2 . . . . 25 LYS HD2 . 7302 1 266 . 1 1 25 25 LYS HE2 H 1 2.690 0.02 . 2 . . . . 25 LYS HE2 . 7302 1 267 . 1 1 25 25 LYS C C 13 175.144 0.10 . 1 . . . . 25 LYS CO . 7302 1 268 . 1 1 25 25 LYS CA C 13 56.258 0.10 . 1 . . . . 25 LYS CA . 7302 1 269 . 1 1 25 25 LYS CB C 13 32.556 0.10 . 1 . . . . 25 LYS CB . 7302 1 270 . 1 1 25 25 LYS CG C 13 25.049 0.10 . 1 . . . . 25 LYS CG . 7302 1 271 . 1 1 25 25 LYS CD C 13 29.320 0.10 . 1 . . . . 25 LYS CD . 7302 1 272 . 1 1 25 25 LYS CE C 13 41.588 0.10 . 1 . . . . 25 LYS CE . 7302 1 273 . 1 1 25 25 LYS N N 15 123.137 0.10 . 1 . . . . 25 LYS N . 7302 1 274 . 1 1 26 26 VAL H H 1 9.488 0.02 . 1 . . . . 26 VAL HN . 7302 1 275 . 1 1 26 26 VAL HA H 1 4.682 0.02 . 1 . . . . 26 VAL HA . 7302 1 276 . 1 1 26 26 VAL HB H 1 2.003 0.02 . 1 . . . . 26 VAL HB . 7302 1 277 . 1 1 26 26 VAL HG11 H 1 0.706 0.02 . 2 . . . . 26 VAL HG1 . 7302 1 278 . 1 1 26 26 VAL HG12 H 1 0.706 0.02 . 2 . . . . 26 VAL HG1 . 7302 1 279 . 1 1 26 26 VAL HG13 H 1 0.706 0.02 . 2 . . . . 26 VAL HG1 . 7302 1 280 . 1 1 26 26 VAL HG21 H 1 0.809 0.02 . 2 . . . . 26 VAL HG2 . 7302 1 281 . 1 1 26 26 VAL HG22 H 1 0.809 0.02 . 2 . . . . 26 VAL HG2 . 7302 1 282 . 1 1 26 26 VAL HG23 H 1 0.809 0.02 . 2 . . . . 26 VAL HG2 . 7302 1 283 . 1 1 26 26 VAL C C 13 176.259 0.10 . 1 . . . . 26 VAL CO . 7302 1 284 . 1 1 26 26 VAL CA C 13 61.460 0.10 . 1 . . . . 26 VAL CA . 7302 1 285 . 1 1 26 26 VAL CB C 13 32.231 0.10 . 1 . . . . 26 VAL CB . 7302 1 286 . 1 1 26 26 VAL CG1 C 13 20.805 0.10 . 1 . . . . 26 VAL CG1 . 7302 1 287 . 1 1 26 26 VAL CG2 C 13 20.805 0.10 . 1 . . . . 26 VAL CG2 . 7302 1 288 . 1 1 26 26 VAL N N 15 130.871 0.10 . 1 . . . . 26 VAL N . 7302 1 289 . 1 1 27 27 THR H H 1 9.257 0.02 . 1 . . . . 27 THR HN . 7302 1 290 . 1 1 27 27 THR HA H 1 4.894 0.02 . 1 . . . . 27 THR HA . 7302 1 291 . 1 1 27 27 THR HB H 1 3.788 0.02 . 1 . . . . 27 THR HB . 7302 1 292 . 1 1 27 27 THR HG21 H 1 0.890 0.02 . 1 . . . . 27 THR HG2 . 7302 1 293 . 1 1 27 27 THR HG22 H 1 0.890 0.02 . 1 . . . . 27 THR HG2 . 7302 1 294 . 1 1 27 27 THR HG23 H 1 0.890 0.02 . 1 . . . . 27 THR HG2 . 7302 1 295 . 1 1 27 27 THR C C 13 173.326 0.10 . 1 . . . . 27 THR CO . 7302 1 296 . 1 1 27 27 THR CA C 13 61.453 0.10 . 1 . . . . 27 THR CA . 7302 1 297 . 1 1 27 27 THR CB C 13 69.962 0.10 . 1 . . . . 27 THR CB . 7302 1 298 . 1 1 27 27 THR CG2 C 13 20.651 0.10 . 1 . . . . 27 THR CG2 . 7302 1 299 . 1 1 27 27 THR N N 15 125.325 0.10 . 1 . . . . 27 THR N . 7302 1 300 . 1 1 28 28 THR H H 1 8.600 0.02 . 1 . . . . 28 THR HN . 7302 1 301 . 1 1 28 28 THR HA H 1 4.593 0.02 . 1 . . . . 28 THR HA . 7302 1 302 . 1 1 28 28 THR HB H 1 4.107 0.02 . 1 . . . . 28 THR HB . 7302 1 303 . 1 1 28 28 THR HG21 H 1 0.347 0.02 . 1 . . . . 28 THR HG2 . 7302 1 304 . 1 1 28 28 THR HG22 H 1 0.347 0.02 . 1 . . . . 28 THR HG2 . 7302 1 305 . 1 1 28 28 THR HG23 H 1 0.347 0.02 . 1 . . . . 28 THR HG2 . 7302 1 306 . 1 1 28 28 THR C C 13 172.873 0.10 . 1 . . . . 28 THR CO . 7302 1 307 . 1 1 28 28 THR CA C 13 62.490 0.10 . 1 . . . . 28 THR CA . 7302 1 308 . 1 1 28 28 THR CB C 13 68.903 0.10 . 1 . . . . 28 THR CB . 7302 1 309 . 1 1 28 28 THR CG2 C 13 22.172 0.10 . 1 . . . . 28 THR CG2 . 7302 1 310 . 1 1 28 28 THR N N 15 126.308 0.10 . 1 . . . . 28 THR N . 7302 1 311 . 1 1 29 29 GLN H H 1 8.292 0.02 . 1 . . . . 29 GLN HN . 7302 1 312 . 1 1 29 29 GLN HA H 1 5.031 0.02 . 1 . . . . 29 GLN HA . 7302 1 313 . 1 1 29 29 GLN HB2 H 1 1.853 0.02 . 2 . . . . 29 GLN HB2 . 7302 1 314 . 1 1 29 29 GLN HB3 H 1 1.744 0.02 . 2 . . . . 29 GLN HB3 . 7302 1 315 . 1 1 29 29 GLN HG2 H 1 2.094 0.02 . 2 . . . . 29 GLN HG2 . 7302 1 316 . 1 1 29 29 GLN HE21 H 1 6.642 0.02 . 1 . . . . 29 GLN HE21 . 7302 1 317 . 1 1 29 29 GLN C C 13 174.928 0.10 . 1 . . . . 29 GLN CO . 7302 1 318 . 1 1 29 29 GLN CA C 13 53.946 0.10 . 1 . . . . 29 GLN CA . 7302 1 319 . 1 1 29 29 GLN CB C 13 31.786 0.10 . 1 . . . . 29 GLN CB . 7302 1 320 . 1 1 29 29 GLN CG C 13 33.999 0.10 . 1 . . . . 29 GLN CG . 7302 1 321 . 1 1 29 29 GLN N N 15 123.002 0.10 . 1 . . . . 29 GLN N . 7302 1 322 . 1 1 29 29 GLN NE2 N 15 110.748 0.10 . 1 . . . . 29 GLN NE2 . 7302 1 323 . 1 1 30 30 THR H H 1 9.125 0.02 . 1 . . . . 30 THR HN . 7302 1 324 . 1 1 30 30 THR HA H 1 4.915 0.02 . 1 . . . . 30 THR HA . 7302 1 325 . 1 1 30 30 THR HB H 1 4.009 0.02 . 1 . . . . 30 THR HB . 7302 1 326 . 1 1 30 30 THR HG21 H 1 1.015 0.02 . 1 . . . . 30 THR HG2 . 7302 1 327 . 1 1 30 30 THR HG22 H 1 1.015 0.02 . 1 . . . . 30 THR HG2 . 7302 1 328 . 1 1 30 30 THR HG23 H 1 1.015 0.02 . 1 . . . . 30 THR HG2 . 7302 1 329 . 1 1 30 30 THR C C 13 171.139 0.10 . 1 . . . . 30 THR CO . 7302 1 330 . 1 1 30 30 THR CA C 13 59.782 0.10 . 1 . . . . 30 THR CA . 7302 1 331 . 1 1 30 30 THR CB C 13 70.222 0.10 . 1 . . . . 30 THR CB . 7302 1 332 . 1 1 30 30 THR CG2 C 13 18.037 0.10 . 1 . . . . 30 THR CG2 . 7302 1 333 . 1 1 30 30 THR N N 15 119.204 0.10 . 1 . . . . 30 THR N . 7302 1 334 . 1 1 31 31 SER H H 1 7.951 0.02 . 1 . . . . 31 SER HN . 7302 1 335 . 1 1 31 31 SER HA H 1 4.680 0.02 . 1 . . . . 31 SER HA . 7302 1 336 . 1 1 31 31 SER HB2 H 1 4.030 0.02 . 2 . . . . 31 SER HB2 . 7302 1 337 . 1 1 31 31 SER HB3 H 1 3.784 0.02 . 2 . . . . 31 SER HB3 . 7302 1 338 . 1 1 31 31 SER C C 13 175.286 0.10 . 1 . . . . 31 SER CO . 7302 1 339 . 1 1 31 31 SER CA C 13 57.299 0.10 . 1 . . . . 31 SER CA . 7302 1 340 . 1 1 31 31 SER CB C 13 64.045 0.10 . 1 . . . . 31 SER CB . 7302 1 341 . 1 1 31 31 SER N N 15 117.394 0.10 . 1 . . . . 31 SER N . 7302 1 342 . 1 1 32 32 LEU H H 1 8.769 0.02 . 1 . . . . 32 LEU HN . 7302 1 343 . 1 1 32 32 LEU HA H 1 4.419 0.02 . 1 . . . . 32 LEU HA . 7302 1 344 . 1 1 32 32 LEU HB2 H 1 1.492 0.02 . 2 . . . . 32 LEU HB2 . 7302 1 345 . 1 1 32 32 LEU HB3 H 1 1.921 0.02 . 2 . . . . 32 LEU HB3 . 7302 1 346 . 1 1 32 32 LEU HG H 1 1.608 0.02 . 1 . . . . 32 LEU HG . 7302 1 347 . 1 1 32 32 LEU HD11 H 1 0.852 0.02 . 2 . . . . 32 LEU HD1# . 7302 1 348 . 1 1 32 32 LEU HD12 H 1 0.852 0.02 . 2 . . . . 32 LEU HD1# . 7302 1 349 . 1 1 32 32 LEU HD13 H 1 0.852 0.02 . 2 . . . . 32 LEU HD1# . 7302 1 350 . 1 1 32 32 LEU HD21 H 1 0.884 0.02 . 2 . . . . 32 LEU HD2# . 7302 1 351 . 1 1 32 32 LEU HD22 H 1 0.884 0.02 . 2 . . . . 32 LEU HD2# . 7302 1 352 . 1 1 32 32 LEU HD23 H 1 0.884 0.02 . 2 . . . . 32 LEU HD2# . 7302 1 353 . 1 1 32 32 LEU C C 13 177.181 0.10 . 1 . . . . 32 LEU CO . 7302 1 354 . 1 1 32 32 LEU CA C 13 53.461 0.10 . 1 . . . . 32 LEU CA . 7302 1 355 . 1 1 32 32 LEU CB C 13 42.573 0.10 . 1 . . . . 32 LEU CB . 7302 1 356 . 1 1 32 32 LEU CG C 13 27.130 0.10 . 1 . . . . 32 LEU CG . 7302 1 357 . 1 1 32 32 LEU CD1 C 13 22.975 0.10 . 2 . . . . 32 LEU CD1 . 7302 1 358 . 1 1 32 32 LEU CD2 C 13 26.134 0.10 . 2 . . . . 32 LEU CD2 . 7302 1 359 . 1 1 32 32 LEU N N 15 126.470 0.10 . 1 . . . . 32 LEU N . 7302 1 360 . 1 1 33 33 PRO HA H 1 4.543 0.02 . 1 . . . . 33 PRO HA . 7302 1 361 . 1 1 33 33 PRO HB2 H 1 2.046 0.02 . 2 . . . . 33 PRO HB2 . 7302 1 362 . 1 1 33 33 PRO HG2 H 1 1.954 0.02 . 2 . . . . 33 PRO HG2 . 7302 1 363 . 1 1 33 33 PRO HG3 H 1 1.785 0.02 . 2 . . . . 33 PRO HG3 . 7302 1 364 . 1 1 33 33 PRO HD2 H 1 3.599 0.02 . 2 . . . . 33 PRO HD2 . 7302 1 365 . 1 1 33 33 PRO HD3 H 1 3.732 0.02 . 2 . . . . 33 PRO HD3 . 7302 1 366 . 1 1 33 33 PRO C C 13 176.092 0.10 . 1 . . . . 33 PRO CO . 7302 1 367 . 1 1 33 33 PRO CA C 13 63.538 0.10 . 1 . . . . 33 PRO CA . 7302 1 368 . 1 1 33 33 PRO CB C 13 30.644 0.10 . 1 . . . . 33 PRO CB . 7302 1 369 . 1 1 33 33 PRO CG C 13 26.860 0.10 . 1 . . . . 33 PRO CG . 7302 1 370 . 1 1 33 33 PRO CD C 13 50.555 0.10 . 1 . . . . 33 PRO CD . 7302 1 371 . 1 1 34 34 LEU H H 1 6.934 0.02 . 1 . . . . 34 LEU HN . 7302 1 372 . 1 1 34 34 LEU HA H 1 3.857 0.02 . 1 . . . . 34 LEU HA . 7302 1 373 . 1 1 34 34 LEU HB2 H 1 1.127 0.02 . 2 . . . . 34 LEU HB2 . 7302 1 374 . 1 1 34 34 LEU HB3 H 1 0.906 0.02 . 2 . . . . 34 LEU HB3 . 7302 1 375 . 1 1 34 34 LEU HG H 1 1.184 0.02 . 1 . . . . 34 LEU HG . 7302 1 376 . 1 1 34 34 LEU HD11 H 1 0.608 0.02 . 2 . . . . 34 LEU HD1# . 7302 1 377 . 1 1 34 34 LEU HD12 H 1 0.608 0.02 . 2 . . . . 34 LEU HD1# . 7302 1 378 . 1 1 34 34 LEU HD13 H 1 0.608 0.02 . 2 . . . . 34 LEU HD1# . 7302 1 379 . 1 1 34 34 LEU HD21 H 1 0.572 0.02 . 2 . . . . 34 LEU HD2# . 7302 1 380 . 1 1 34 34 LEU HD22 H 1 0.572 0.02 . 2 . . . . 34 LEU HD2# . 7302 1 381 . 1 1 34 34 LEU HD23 H 1 0.572 0.02 . 2 . . . . 34 LEU HD2# . 7302 1 382 . 1 1 34 34 LEU C C 13 176.111 0.10 . 1 . . . . 34 LEU CO . 7302 1 383 . 1 1 34 34 LEU CA C 13 55.753 0.10 . 1 . . . . 34 LEU CA . 7302 1 384 . 1 1 34 34 LEU CB C 13 42.931 0.10 . 1 . . . . 34 LEU CB . 7302 1 385 . 1 1 34 34 LEU CG C 13 26.623 0.10 . 1 . . . . 34 LEU CG . 7302 1 386 . 1 1 34 34 LEU CD1 C 13 24.826 0.10 . 2 . . . . 34 LEU CD1 . 7302 1 387 . 1 1 34 34 LEU CD2 C 13 22.843 0.10 . 2 . . . . 34 LEU CD2 . 7302 1 388 . 1 1 34 34 LEU N N 15 117.128 0.10 . 1 . . . . 34 LEU N . 7302 1 389 . 1 1 35 35 PHE H H 1 7.431 0.02 . 1 . . . . 35 PHE HN . 7302 1 390 . 1 1 35 35 PHE HA H 1 4.509 0.02 . 1 . . . . 35 PHE HA . 7302 1 391 . 1 1 35 35 PHE HB2 H 1 3.156 0.02 . 2 . . . . 35 PHE HB2 . 7302 1 392 . 1 1 35 35 PHE HB3 H 1 2.711 0.02 . 2 . . . . 35 PHE HB3 . 7302 1 393 . 1 1 35 35 PHE HD1 H 1 7.168 0.02 . 1 . . . . 35 PHE HD1 . 7302 1 394 . 1 1 35 35 PHE HD2 H 1 7.168 0.02 . 1 . . . . 35 PHE HD2 . 7302 1 395 . 1 1 35 35 PHE HE1 H 1 6.841 0.02 . 1 . . . . 35 PHE HE1 . 7302 1 396 . 1 1 35 35 PHE HE2 H 1 6.841 0.02 . 1 . . . . 35 PHE HE2 . 7302 1 397 . 1 1 35 35 PHE C C 13 175.684 0.10 . 1 . . . . 35 PHE CO . 7302 1 398 . 1 1 35 35 PHE CA C 13 56.821 0.10 . 1 . . . . 35 PHE CA . 7302 1 399 . 1 1 35 35 PHE CB C 13 41.564 0.10 . 1 . . . . 35 PHE CB . 7302 1 400 . 1 1 35 35 PHE CD1 C 13 132.999 0.10 . 1 . . . . 35 PHE CD1 . 7302 1 401 . 1 1 35 35 PHE CD2 C 13 132.999 0.10 . 1 . . . . 35 PHE CD2 . 7302 1 402 . 1 1 35 35 PHE N N 15 116.373 0.10 . 1 . . . . 35 PHE N . 7302 1 403 . 1 1 36 36 ARG H H 1 9.111 0.02 . 1 . . . . 36 ARG HN . 7302 1 404 . 1 1 36 36 ARG HA H 1 3.905 0.02 . 1 . . . . 36 ARG HA . 7302 1 405 . 1 1 36 36 ARG HB2 H 1 1.618 0.02 . 2 . . . . 36 ARG HB2 . 7302 1 406 . 1 1 36 36 ARG HG2 H 1 1.367 0.02 . 2 . . . . 36 ARG HG2 . 7302 1 407 . 1 1 36 36 ARG HG3 H 1 1.475 0.02 . 2 . . . . 36 ARG HG3 . 7302 1 408 . 1 1 36 36 ARG HD2 H 1 2.999 0.02 . 2 . . . . 36 ARG HD2 . 7302 1 409 . 1 1 36 36 ARG C C 13 176.178 0.10 . 1 . . . . 36 ARG CO . 7302 1 410 . 1 1 36 36 ARG CA C 13 58.152 0.10 . 1 . . . . 36 ARG CA . 7302 1 411 . 1 1 36 36 ARG CB C 13 30.262 0.10 . 1 . . . . 36 ARG CB . 7302 1 412 . 1 1 36 36 ARG CG C 13 26.583 0.10 . 1 . . . . 36 ARG CG . 7302 1 413 . 1 1 36 36 ARG CD C 13 43.150 0.10 . 1 . . . . 36 ARG CD . 7302 1 414 . 1 1 36 36 ARG N N 15 120.485 0.10 . 1 . . . . 36 ARG N . 7302 1 415 . 1 1 37 37 SER H H 1 7.620 0.02 . 1 . . . . 37 SER HN . 7302 1 416 . 1 1 37 37 SER HA H 1 4.605 0.02 . 1 . . . . 37 SER HA . 7302 1 417 . 1 1 37 37 SER HB2 H 1 3.748 0.02 . 2 . . . . 37 SER HB2 . 7302 1 418 . 1 1 37 37 SER C C 13 172.714 0.10 . 1 . . . . 37 SER CO . 7302 1 419 . 1 1 37 37 SER CA C 13 56.315 0.10 . 1 . . . . 37 SER CA . 7302 1 420 . 1 1 37 37 SER CB C 13 64.913 0.10 . 1 . . . . 37 SER CB . 7302 1 421 . 1 1 37 37 SER N N 15 112.476 0.10 . 1 . . . . 37 SER N . 7302 1 422 . 1 1 38 38 LYS H H 1 8.184 0.02 . 1 . . . . 38 LYS HN . 7302 1 423 . 1 1 38 38 LYS HA H 1 3.974 0.02 . 1 . . . . 38 LYS HA . 7302 1 424 . 1 1 38 38 LYS HB2 H 1 1.607 0.02 . 2 . . . . 38 LYS HB2 . 7302 1 425 . 1 1 38 38 LYS HG2 H 1 1.222 0.02 . 2 . . . . 38 LYS HG2 . 7302 1 426 . 1 1 38 38 LYS HD2 H 1 1.515 0.02 . 2 . . . . 38 LYS HD2 . 7302 1 427 . 1 1 38 38 LYS HE2 H 1 2.830 0.02 . 2 . . . . 38 LYS HE2 . 7302 1 428 . 1 1 38 38 LYS C C 13 176.536 0.10 . 1 . . . . 38 LYS CO . 7302 1 429 . 1 1 38 38 LYS CA C 13 56.861 0.10 . 1 . . . . 38 LYS CA . 7302 1 430 . 1 1 38 38 LYS CB C 13 33.252 0.10 . 1 . . . . 38 LYS CB . 7302 1 431 . 1 1 38 38 LYS CG C 13 24.549 0.10 . 1 . . . . 38 LYS CG . 7302 1 432 . 1 1 38 38 LYS CD C 13 29.080 0.10 . 1 . . . . 38 LYS CD . 7302 1 433 . 1 1 38 38 LYS CE C 13 41.924 0.10 . 1 . . . . 38 LYS CE . 7302 1 434 . 1 1 38 38 LYS N N 15 118.363 0.10 . 1 . . . . 38 LYS N . 7302 1 435 . 1 1 39 39 GLN H H 1 7.547 0.02 . 1 . . . . 39 GLN HN . 7302 1 436 . 1 1 39 39 GLN HA H 1 5.159 0.02 . 1 . . . . 39 GLN HA . 7302 1 437 . 1 1 39 39 GLN HB2 H 1 1.902 0.02 . 2 . . . . 39 GLN HB2 . 7302 1 438 . 1 1 39 39 GLN HB3 H 1 1.837 0.02 . 2 . . . . 39 GLN HB3 . 7302 1 439 . 1 1 39 39 GLN HG2 H 1 2.077 0.02 . 2 . . . . 39 GLN HG2 . 7302 1 440 . 1 1 39 39 GLN C C 13 174.075 0.10 . 1 . . . . 39 GLN CO . 7302 1 441 . 1 1 39 39 GLN CA C 13 55.060 0.10 . 1 . . . . 39 GLN CA . 7302 1 442 . 1 1 39 39 GLN CB C 13 30.887 0.10 . 1 . . . . 39 GLN CB . 7302 1 443 . 1 1 39 39 GLN CG C 13 33.720 0.10 . 1 . . . . 39 GLN CG . 7302 1 444 . 1 1 39 39 GLN N N 15 117.269 0.10 . 1 . . . . 39 GLN N . 7302 1 445 . 1 1 40 40 PHE H H 1 8.136 0.02 . 1 . . . . 40 PHE HN . 7302 1 446 . 1 1 40 40 PHE HA H 1 4.790 0.02 . 1 . . . . 40 PHE HA . 7302 1 447 . 1 1 40 40 PHE HB2 H 1 3.001 0.02 . 2 . . . . 40 PHE HB2 . 7302 1 448 . 1 1 40 40 PHE HB3 H 1 3.207 0.02 . 2 . . . . 40 PHE HB3 . 7302 1 449 . 1 1 40 40 PHE HD1 H 1 6.774 0.02 . 1 . . . . 40 PHE HD1 . 7302 1 450 . 1 1 40 40 PHE HD2 H 1 6.774 0.02 . 1 . . . . 40 PHE HD2 . 7302 1 451 . 1 1 40 40 PHE C C 13 171.922 0.10 . 1 . . . . 40 PHE CO . 7302 1 452 . 1 1 40 40 PHE CA C 13 55.766 0.10 . 1 . . . . 40 PHE CA . 7302 1 453 . 1 1 40 40 PHE CB C 13 39.243 0.10 . 1 . . . . 40 PHE CB . 7302 1 454 . 1 1 40 40 PHE CD1 C 13 133.049 0.10 . 1 . . . . 40 PHE CD1 . 7302 1 455 . 1 1 40 40 PHE CD2 C 13 133.049 0.10 . 1 . . . . 40 PHE CD2 . 7302 1 456 . 1 1 40 40 PHE N N 15 122.557 0.10 . 1 . . . . 40 PHE N . 7302 1 457 . 1 1 41 41 ALA H H 1 8.321 0.02 . 1 . . . . 41 ALA HN . 7302 1 458 . 1 1 41 41 ALA HA H 1 5.651 0.02 . 1 . . . . 41 ALA HA . 7302 1 459 . 1 1 41 41 ALA HB1 H 1 1.158 0.02 . 1 . . . . 41 ALA HB . 7302 1 460 . 1 1 41 41 ALA HB2 H 1 1.158 0.02 . 1 . . . . 41 ALA HB . 7302 1 461 . 1 1 41 41 ALA HB3 H 1 1.158 0.02 . 1 . . . . 41 ALA HB . 7302 1 462 . 1 1 41 41 ALA C C 13 176.719 0.10 . 1 . . . . 41 ALA CO . 7302 1 463 . 1 1 41 41 ALA CA C 13 50.697 0.10 . 1 . . . . 41 ALA CA . 7302 1 464 . 1 1 41 41 ALA CB C 13 23.457 0.10 . 1 . . . . 41 ALA CB . 7302 1 465 . 1 1 41 41 ALA N N 15 120.281 0.10 . 1 . . . . 41 ALA N . 7302 1 466 . 1 1 42 42 VAL H H 1 8.563 0.02 . 1 . . . . 42 VAL HN . 7302 1 467 . 1 1 42 42 VAL HA H 1 4.597 0.02 . 1 . . . . 42 VAL HA . 7302 1 468 . 1 1 42 42 VAL HB H 1 1.909 0.02 . 1 . . . . 42 VAL HB . 7302 1 469 . 1 1 42 42 VAL HG11 H 1 0.582 0.02 . 2 . . . . 42 VAL HG1 . 7302 1 470 . 1 1 42 42 VAL HG12 H 1 0.582 0.02 . 2 . . . . 42 VAL HG1 . 7302 1 471 . 1 1 42 42 VAL HG13 H 1 0.582 0.02 . 2 . . . . 42 VAL HG1 . 7302 1 472 . 1 1 42 42 VAL HG21 H 1 0.543 0.02 . 2 . . . . 42 VAL HG2 . 7302 1 473 . 1 1 42 42 VAL HG22 H 1 0.543 0.02 . 2 . . . . 42 VAL HG2 . 7302 1 474 . 1 1 42 42 VAL HG23 H 1 0.543 0.02 . 2 . . . . 42 VAL HG2 . 7302 1 475 . 1 1 42 42 VAL C C 13 174.083 0.10 . 1 . . . . 42 VAL CO . 7302 1 476 . 1 1 42 42 VAL CA C 13 59.142 0.10 . 1 . . . . 42 VAL CA . 7302 1 477 . 1 1 42 42 VAL CB C 13 36.565 0.10 . 1 . . . . 42 VAL CB . 7302 1 478 . 1 1 42 42 VAL CG1 C 13 22.142 0.10 . 2 . . . . 42 VAL CG1 . 7302 1 479 . 1 1 42 42 VAL CG2 C 13 17.409 0.10 . 2 . . . . 42 VAL CG2 . 7302 1 480 . 1 1 42 42 VAL N N 15 113.757 0.10 . 1 . . . . 42 VAL N . 7302 1 481 . 1 1 43 43 LYS H H 1 8.550 0.02 . 1 . . . . 43 LYS HN . 7302 1 482 . 1 1 43 43 LYS HA H 1 5.418 0.02 . 1 . . . . 43 LYS HA . 7302 1 483 . 1 1 43 43 LYS HB2 H 1 1.497 0.02 . 2 . . . . 43 LYS HB2 . 7302 1 484 . 1 1 43 43 LYS HB3 H 1 1.723 0.02 . 2 . . . . 43 LYS HB3 . 7302 1 485 . 1 1 43 43 LYS HG2 H 1 1.414 0.02 . 2 . . . . 43 LYS HG2 . 7302 1 486 . 1 1 43 43 LYS HG3 H 1 1.169 0.02 . 2 . . . . 43 LYS HG3 . 7302 1 487 . 1 1 43 43 LYS HD2 H 1 1.491 0.02 . 2 . . . . 43 LYS HD2 . 7302 1 488 . 1 1 43 43 LYS HE2 H 1 2.814 0.02 . 2 . . . . 43 LYS HE2 . 7302 1 489 . 1 1 43 43 LYS C C 13 177.541 0.10 . 1 . . . . 43 LYS CO . 7302 1 490 . 1 1 43 43 LYS CA C 13 54.727 0.10 . 1 . . . . 43 LYS CA . 7302 1 491 . 1 1 43 43 LYS CB C 13 34.037 0.10 . 1 . . . . 43 LYS CB . 7302 1 492 . 1 1 43 43 LYS CG C 13 24.800 0.10 . 1 . . . . 43 LYS CG . 7302 1 493 . 1 1 43 43 LYS CD C 13 28.925 0.10 . 1 . . . . 43 LYS CD . 7302 1 494 . 1 1 43 43 LYS CE C 13 41.853 0.10 . 1 . . . . 43 LYS CE . 7302 1 495 . 1 1 43 43 LYS N N 15 120.350 0.10 . 1 . . . . 43 LYS N . 7302 1 496 . 1 1 44 44 ARG H H 1 9.295 0.02 . 1 . . . . 44 ARG HN . 7302 1 497 . 1 1 44 44 ARG HA H 1 4.993 0.02 . 1 . . . . 44 ARG HA . 7302 1 498 . 1 1 44 44 ARG HB2 H 1 1.588 0.02 . 2 . . . . 44 ARG HB2 . 7302 1 499 . 1 1 44 44 ARG HB3 H 1 1.530 0.02 . 2 . . . . 44 ARG HB3 . 7302 1 500 . 1 1 44 44 ARG HG2 H 1 1.553 0.02 . 2 . . . . 44 ARG HG2 . 7302 1 501 . 1 1 44 44 ARG HD2 H 1 2.832 0.02 . 2 . . . . 44 ARG HD2 . 7302 1 502 . 1 1 44 44 ARG HE H 1 6.437 0.02 . 1 . . . . 44 ARG HE . 7302 1 503 . 1 1 44 44 ARG C C 13 174.873 0.10 . 1 . . . . 44 ARG CO . 7302 1 504 . 1 1 44 44 ARG CA C 13 52.487 0.10 . 1 . . . . 44 ARG CA . 7302 1 505 . 1 1 44 44 ARG CB C 13 35.089 0.10 . 1 . . . . 44 ARG CB . 7302 1 506 . 1 1 44 44 ARG CG C 13 29.042 0.10 . 1 . . . . 44 ARG CG . 7302 1 507 . 1 1 44 44 ARG CD C 13 42.033 0.10 . 1 . . . . 44 ARG CD . 7302 1 508 . 1 1 44 44 ARG N N 15 122.629 0.10 . 1 . . . . 44 ARG N . 7302 1 509 . 1 1 44 44 ARG NE N 15 84.950 0.10 . 1 . . . . 44 ARG NE . 7302 1 510 . 1 1 45 45 ARG H H 1 9.639 0.02 . 1 . . . . 45 ARG HN . 7302 1 511 . 1 1 45 45 ARG HA H 1 5.598 0.02 . 1 . . . . 45 ARG HA . 7302 1 512 . 1 1 45 45 ARG HB2 H 1 2.124 0.02 . 2 . . . . 45 ARG HB2 . 7302 1 513 . 1 1 45 45 ARG HB3 H 1 2.188 0.02 . 2 . . . . 45 ARG HB3 . 7302 1 514 . 1 1 45 45 ARG HG2 H 1 1.653 0.02 . 2 . . . . 45 ARG HG2 . 7302 1 515 . 1 1 45 45 ARG HG3 H 1 1.853 0.02 . 2 . . . . 45 ARG HG3 . 7302 1 516 . 1 1 45 45 ARG HD2 H 1 2.636 0.02 . 2 . . . . 45 ARG HD2 . 7302 1 517 . 1 1 45 45 ARG HD3 H 1 2.801 0.02 . 2 . . . . 45 ARG HD3 . 7302 1 518 . 1 1 45 45 ARG C C 13 178.416 0.10 . 1 . . . . 45 ARG CO . 7302 1 519 . 1 1 45 45 ARG CA C 13 53.989 0.10 . 1 . . . . 45 ARG CA . 7302 1 520 . 1 1 45 45 ARG CB C 13 33.745 0.10 . 1 . . . . 45 ARG CB . 7302 1 521 . 1 1 45 45 ARG CG C 13 25.180 0.10 . 1 . . . . 45 ARG CG . 7302 1 522 . 1 1 45 45 ARG CD C 13 43.730 0.10 . 1 . . . . 45 ARG CD . 7302 1 523 . 1 1 45 45 ARG N N 15 121.272 0.10 . 1 . . . . 45 ARG N . 7302 1 524 . 1 1 46 46 PHE H H 1 10.369 0.02 . 1 . . . . 46 PHE HN . 7302 1 525 . 1 1 46 46 PHE HA H 1 4.372 0.02 . 1 . . . . 46 PHE HA . 7302 1 526 . 1 1 46 46 PHE HB2 H 1 3.391 0.02 . 2 . . . . 46 PHE HB2 . 7302 1 527 . 1 1 46 46 PHE HB3 H 1 3.579 0.02 . 2 . . . . 46 PHE HB3 . 7302 1 528 . 1 1 46 46 PHE C C 13 178.469 0.10 . 1 . . . . 46 PHE CO . 7302 1 529 . 1 1 46 46 PHE CA C 13 63.410 0.10 . 1 . . . . 46 PHE CA . 7302 1 530 . 1 1 46 46 PHE CB C 13 39.143 0.10 . 1 . . . . 46 PHE CB . 7302 1 531 . 1 1 46 46 PHE N N 15 125.070 0.10 . 1 . . . . 46 PHE N . 7302 1 532 . 1 1 47 47 SER H H 1 9.168 0.02 . 1 . . . . 47 SER HN . 7302 1 533 . 1 1 47 47 SER C C 13 177.899 0.10 . 1 . . . . 47 SER CO . 7302 1 534 . 1 1 47 47 SER CA C 13 61.746 0.10 . 1 . . . . 47 SER CA . 7302 1 535 . 1 1 47 47 SER N N 15 112.725 0.10 . 1 . . . . 47 SER N . 7302 1 536 . 1 1 48 48 ASP H H 1 7.962 0.02 . 1 . . . . 48 ASP HN . 7302 1 537 . 1 1 48 48 ASP HA H 1 4.594 0.02 . 1 . . . . 48 ASP HA . 7302 1 538 . 1 1 48 48 ASP HB2 H 1 2.830 0.02 . 2 . . . . 48 ASP HB2 . 7302 1 539 . 1 1 48 48 ASP HB3 H 1 3.156 0.02 . 2 . . . . 48 ASP HB3 . 7302 1 540 . 1 1 48 48 ASP C C 13 179.870 0.10 . 1 . . . . 48 ASP CO . 7302 1 541 . 1 1 48 48 ASP CA C 13 57.535 0.10 . 1 . . . . 48 ASP CA . 7302 1 542 . 1 1 48 48 ASP CB C 13 41.542 0.10 . 1 . . . . 48 ASP CB . 7302 1 543 . 1 1 48 48 ASP N N 15 122.727 0.10 . 1 . . . . 48 ASP N . 7302 1 544 . 1 1 49 49 PHE H H 1 8.060 0.02 . 1 . . . . 49 PHE HN . 7302 1 545 . 1 1 49 49 PHE HA H 1 3.857 0.02 . 1 . . . . 49 PHE HA . 7302 1 546 . 1 1 49 49 PHE HB2 H 1 3.229 0.02 . 2 . . . . 49 PHE HB2 . 7302 1 547 . 1 1 49 49 PHE HB3 H 1 2.408 0.02 . 2 . . . . 49 PHE HB3 . 7302 1 548 . 1 1 49 49 PHE HD1 H 1 7.435 0.02 . 1 . . . . 49 PHE HD1 . 7302 1 549 . 1 1 49 49 PHE HD2 H 1 7.435 0.02 . 1 . . . . 49 PHE HD2 . 7302 1 550 . 1 1 49 49 PHE HE1 H 1 7.135 0.02 . 1 . . . . 49 PHE HE1 . 7302 1 551 . 1 1 49 49 PHE HE2 H 1 7.135 0.02 . 1 . . . . 49 PHE HE2 . 7302 1 552 . 1 1 49 49 PHE HZ H 1 7.000 0.02 . 1 . . . . 49 PHE HZ . 7302 1 553 . 1 1 49 49 PHE C C 13 177.482 0.10 . 1 . . . . 49 PHE CO . 7302 1 554 . 1 1 49 49 PHE CA C 13 61.752 0.10 . 1 . . . . 49 PHE CA . 7302 1 555 . 1 1 49 49 PHE CB C 13 38.162 0.10 . 1 . . . . 49 PHE CB . 7302 1 556 . 1 1 49 49 PHE CD1 C 13 132.545 0.10 . 1 . . . . 49 PHE CD1 . 7302 1 557 . 1 1 49 49 PHE CD2 C 13 132.545 0.10 . 1 . . . . 49 PHE CD2 . 7302 1 558 . 1 1 49 49 PHE CE1 C 13 131.600 0.10 . 1 . . . . 49 PHE CE1 . 7302 1 559 . 1 1 49 49 PHE CE2 C 13 131.600 0.10 . 1 . . . . 49 PHE CE2 . 7302 1 560 . 1 1 49 49 PHE N N 15 120.540 0.10 . 1 . . . . 49 PHE N . 7302 1 561 . 1 1 50 50 LEU H H 1 7.362 0.02 . 1 . . . . 50 LEU HN . 7302 1 562 . 1 1 50 50 LEU HA H 1 3.856 0.02 . 1 . . . . 50 LEU HA . 7302 1 563 . 1 1 50 50 LEU HB2 H 1 1.466 0.02 . 2 . . . . 50 LEU HB2 . 7302 1 564 . 1 1 50 50 LEU HB3 H 1 1.539 0.02 . 2 . . . . 50 LEU HB3 . 7302 1 565 . 1 1 50 50 LEU HG H 1 1.183 0.02 . 1 . . . . 50 LEU HG . 7302 1 566 . 1 1 50 50 LEU HD11 H 1 0.651 0.02 . 2 . . . . 50 LEU HD1# . 7302 1 567 . 1 1 50 50 LEU HD12 H 1 0.651 0.02 . 2 . . . . 50 LEU HD1# . 7302 1 568 . 1 1 50 50 LEU HD13 H 1 0.651 0.02 . 2 . . . . 50 LEU HD1# . 7302 1 569 . 1 1 50 50 LEU HD21 H 1 0.761 0.02 . 2 . . . . 50 LEU HD2# . 7302 1 570 . 1 1 50 50 LEU HD22 H 1 0.761 0.02 . 2 . . . . 50 LEU HD2# . 7302 1 571 . 1 1 50 50 LEU HD23 H 1 0.761 0.02 . 2 . . . . 50 LEU HD2# . 7302 1 572 . 1 1 50 50 LEU C C 13 178.987 0.10 . 1 . . . . 50 LEU CO . 7302 1 573 . 1 1 50 50 LEU CA C 13 57.813 0.10 . 1 . . . . 50 LEU CA . 7302 1 574 . 1 1 50 50 LEU CB C 13 40.934 0.10 . 1 . . . . 50 LEU CB . 7302 1 575 . 1 1 50 50 LEU CG C 13 26.360 0.10 . 1 . . . . 50 LEU CG . 7302 1 576 . 1 1 50 50 LEU CD1 C 13 23.107 0.10 . 2 . . . . 50 LEU CD1 . 7302 1 577 . 1 1 50 50 LEU CD2 C 13 24.408 0.10 . 2 . . . . 50 LEU CD2 . 7302 1 578 . 1 1 50 50 LEU N N 15 119.049 0.10 . 1 . . . . 50 LEU N . 7302 1 579 . 1 1 51 51 GLY H H 1 8.151 0.02 . 1 . . . . 51 GLY HN . 7302 1 580 . 1 1 51 51 GLY HA2 H 1 3.847 0.02 . 2 . . . . 51 GLY HA2 . 7302 1 581 . 1 1 51 51 GLY HA3 H 1 3.891 0.02 . 2 . . . . 51 GLY HA3 . 7302 1 582 . 1 1 51 51 GLY C C 13 175.964 0.10 . 1 . . . . 51 GLY CO . 7302 1 583 . 1 1 51 51 GLY CA C 13 46.957 0.10 . 1 . . . . 51 GLY CA . 7302 1 584 . 1 1 51 51 GLY N N 15 106.564 0.10 . 1 . . . . 51 GLY N . 7302 1 585 . 1 1 52 52 LEU H H 1 7.583 0.02 . 1 . . . . 52 LEU HN . 7302 1 586 . 1 1 52 52 LEU HA H 1 4.085 0.02 . 1 . . . . 52 LEU HA . 7302 1 587 . 1 1 52 52 LEU HB2 H 1 1.609 0.02 . 2 . . . . 52 LEU HB2 . 7302 1 588 . 1 1 52 52 LEU HB3 H 1 1.138 0.02 . 2 . . . . 52 LEU HB3 . 7302 1 589 . 1 1 52 52 LEU HG H 1 1.155 0.02 . 1 . . . . 52 LEU HG . 7302 1 590 . 1 1 52 52 LEU HD11 H 1 0.556 0.02 . 2 . . . . 52 LEU HD1# . 7302 1 591 . 1 1 52 52 LEU HD12 H 1 0.556 0.02 . 2 . . . . 52 LEU HD1# . 7302 1 592 . 1 1 52 52 LEU HD13 H 1 0.556 0.02 . 2 . . . . 52 LEU HD1# . 7302 1 593 . 1 1 52 52 LEU HD21 H 1 -0.107 0.02 . 2 . . . . 52 LEU HD2# . 7302 1 594 . 1 1 52 52 LEU HD22 H 1 -0.107 0.02 . 2 . . . . 52 LEU HD2# . 7302 1 595 . 1 1 52 52 LEU HD23 H 1 -0.107 0.02 . 2 . . . . 52 LEU HD2# . 7302 1 596 . 1 1 52 52 LEU C C 13 177.642 0.10 . 1 . . . . 52 LEU CO . 7302 1 597 . 1 1 52 52 LEU CA C 13 57.781 0.10 . 1 . . . . 52 LEU CA . 7302 1 598 . 1 1 52 52 LEU CB C 13 40.974 0.10 . 1 . . . . 52 LEU CB . 7302 1 599 . 1 1 52 52 LEU CG C 13 26.359 0.10 . 1 . . . . 52 LEU CG . 7302 1 600 . 1 1 52 52 LEU CD1 C 13 22.276 0.10 . 2 . . . . 52 LEU CD1 . 7302 1 601 . 1 1 52 52 LEU CD2 C 13 23.454 0.10 . 2 . . . . 52 LEU CD2 . 7302 1 602 . 1 1 52 52 LEU N N 15 122.956 0.10 . 1 . . . . 52 LEU N . 7302 1 603 . 1 1 53 53 TYR H H 1 7.810 0.02 . 1 . . . . 53 TYR HN . 7302 1 604 . 1 1 53 53 TYR HA H 1 3.848 0.02 . 1 . . . . 53 TYR HA . 7302 1 605 . 1 1 53 53 TYR HB2 H 1 3.060 0.02 . 2 . . . . 53 TYR HB2 . 7302 1 606 . 1 1 53 53 TYR HB3 H 1 3.335 0.02 . 2 . . . . 53 TYR HB3 . 7302 1 607 . 1 1 53 53 TYR HD1 H 1 6.917 0.02 . 1 . . . . 53 TYR HD1 . 7302 1 608 . 1 1 53 53 TYR HD2 H 1 6.917 0.02 . 1 . . . . 53 TYR HD2 . 7302 1 609 . 1 1 53 53 TYR HE1 H 1 6.647 0.02 . 1 . . . . 53 TYR HE1 . 7302 1 610 . 1 1 53 53 TYR HE2 H 1 6.647 0.02 . 1 . . . . 53 TYR HE2 . 7302 1 611 . 1 1 53 53 TYR C C 13 177.605 0.10 . 1 . . . . 53 TYR CO . 7302 1 612 . 1 1 53 53 TYR CA C 13 61.540 0.10 . 1 . . . . 53 TYR CA . 7302 1 613 . 1 1 53 53 TYR CB C 13 37.431 0.10 . 1 . . . . 53 TYR CB . 7302 1 614 . 1 1 53 53 TYR CD1 C 13 133.183 0.10 . 1 . . . . 53 TYR CD1 . 7302 1 615 . 1 1 53 53 TYR CD2 C 13 133.183 0.10 . 1 . . . . 53 TYR CD2 . 7302 1 616 . 1 1 53 53 TYR CE1 C 13 118.198 0.10 . 1 . . . . 53 TYR CE1 . 7302 1 617 . 1 1 53 53 TYR CE2 C 13 118.198 0.10 . 1 . . . . 53 TYR CE2 . 7302 1 618 . 1 1 53 53 TYR N N 15 118.537 0.10 . 1 . . . . 53 TYR N . 7302 1 619 . 1 1 54 54 GLU H H 1 8.351 0.02 . 1 . . . . 54 GLU HN . 7302 1 620 . 1 1 54 54 GLU HA H 1 3.438 0.02 . 1 . . . . 54 GLU HA . 7302 1 621 . 1 1 54 54 GLU HB2 H 1 2.025 0.02 . 2 . . . . 54 GLU HB2 . 7302 1 622 . 1 1 54 54 GLU HB3 H 1 1.933 0.02 . 2 . . . . 54 GLU HB3 . 7302 1 623 . 1 1 54 54 GLU HG2 H 1 2.410 0.02 . 2 . . . . 54 GLU HG2 . 7302 1 624 . 1 1 54 54 GLU HG3 H 1 2.148 0.02 . 2 . . . . 54 GLU HG3 . 7302 1 625 . 1 1 54 54 GLU C C 13 179.030 0.10 . 1 . . . . 54 GLU CO . 7302 1 626 . 1 1 54 54 GLU CA C 13 59.706 0.10 . 1 . . . . 54 GLU CA . 7302 1 627 . 1 1 54 54 GLU CB C 13 29.241 0.10 . 1 . . . . 54 GLU CB . 7302 1 628 . 1 1 54 54 GLU CG C 13 36.217 0.10 . 1 . . . . 54 GLU CG . 7302 1 629 . 1 1 54 54 GLU N N 15 120.294 0.10 . 1 . . . . 54 GLU N . 7302 1 630 . 1 1 55 55 LYS H H 1 7.732 0.02 . 1 . . . . 55 LYS HN . 7302 1 631 . 1 1 55 55 LYS HA H 1 3.932 0.02 . 1 . . . . 55 LYS HA . 7302 1 632 . 1 1 55 55 LYS HB2 H 1 1.819 0.02 . 2 . . . . 55 LYS HB2 . 7302 1 633 . 1 1 55 55 LYS HB3 H 1 1.713 0.02 . 2 . . . . 55 LYS HB3 . 7302 1 634 . 1 1 55 55 LYS HG2 H 1 1.306 0.02 . 2 . . . . 55 LYS HG2 . 7302 1 635 . 1 1 55 55 LYS HG3 H 1 1.488 0.02 . 2 . . . . 55 LYS HG3 . 7302 1 636 . 1 1 55 55 LYS HD2 H 1 1.515 0.02 . 2 . . . . 55 LYS HD2 . 7302 1 637 . 1 1 55 55 LYS HD3 H 1 1.547 0.02 . 2 . . . . 55 LYS HD3 . 7302 1 638 . 1 1 55 55 LYS HE2 H 1 2.832 0.02 . 2 . . . . 55 LYS HE2 . 7302 1 639 . 1 1 55 55 LYS C C 13 179.817 0.10 . 1 . . . . 55 LYS CO . 7302 1 640 . 1 1 55 55 LYS CA C 13 59.074 0.10 . 1 . . . . 55 LYS CA . 7302 1 641 . 1 1 55 55 LYS CB C 13 32.569 0.10 . 1 . . . . 55 LYS CB . 7302 1 642 . 1 1 55 55 LYS CG C 13 25.104 0.10 . 1 . . . . 55 LYS CG . 7302 1 643 . 1 1 55 55 LYS CE C 13 41.871 0.10 . 1 . . . . 55 LYS CE . 7302 1 644 . 1 1 55 55 LYS N N 15 118.704 0.10 . 1 . . . . 55 LYS N . 7302 1 645 . 1 1 56 56 LEU H H 1 8.473 0.02 . 1 . . . . 56 LEU HN . 7302 1 646 . 1 1 56 56 LEU HA H 1 3.917 0.02 . 1 . . . . 56 LEU HA . 7302 1 647 . 1 1 56 56 LEU HB2 H 1 1.652 0.02 . 2 . . . . 56 LEU HB2 . 7302 1 648 . 1 1 56 56 LEU HB3 H 1 1.182 0.02 . 2 . . . . 56 LEU HB3 . 7302 1 649 . 1 1 56 56 LEU HG H 1 1.823 0.02 . 1 . . . . 56 LEU HG . 7302 1 650 . 1 1 56 56 LEU HD11 H 1 0.726 0.02 . 2 . . . . 56 LEU HD1# . 7302 1 651 . 1 1 56 56 LEU HD12 H 1 0.726 0.02 . 2 . . . . 56 LEU HD1# . 7302 1 652 . 1 1 56 56 LEU HD13 H 1 0.726 0.02 . 2 . . . . 56 LEU HD1# . 7302 1 653 . 1 1 56 56 LEU HD21 H 1 0.628 0.02 . 2 . . . . 56 LEU HD2# . 7302 1 654 . 1 1 56 56 LEU HD22 H 1 0.628 0.02 . 2 . . . . 56 LEU HD2# . 7302 1 655 . 1 1 56 56 LEU HD23 H 1 0.628 0.02 . 2 . . . . 56 LEU HD2# . 7302 1 656 . 1 1 56 56 LEU C C 13 179.582 0.10 . 1 . . . . 56 LEU CO . 7302 1 657 . 1 1 56 56 LEU CA C 13 57.382 0.10 . 1 . . . . 56 LEU CA . 7302 1 658 . 1 1 56 56 LEU CB C 13 42.345 0.10 . 1 . . . . 56 LEU CB . 7302 1 659 . 1 1 56 56 LEU CG C 13 26.660 0.10 . 1 . . . . 56 LEU CG . 7302 1 660 . 1 1 56 56 LEU CD1 C 13 21.912 0.10 . 2 . . . . 56 LEU CD1 . 7302 1 661 . 1 1 56 56 LEU CD2 C 13 25.193 0.10 . 2 . . . . 56 LEU CD2 . 7302 1 662 . 1 1 56 56 LEU N N 15 117.402 0.10 . 1 . . . . 56 LEU N . 7302 1 663 . 1 1 57 57 SER H H 1 8.498 0.02 . 1 . . . . 57 SER HN . 7302 1 664 . 1 1 57 57 SER HA H 1 3.688 0.02 . 1 . . . . 57 SER HA . 7302 1 665 . 1 1 57 57 SER HB2 H 1 3.280 0.02 . 2 . . . . 57 SER HB2 . 7302 1 666 . 1 1 57 57 SER HB3 H 1 3.438 0.02 . 2 . . . . 57 SER HB3 . 7302 1 667 . 1 1 57 57 SER C C 13 176.420 0.10 . 1 . . . . 57 SER CO . 7302 1 668 . 1 1 57 57 SER CA C 13 61.249 0.10 . 1 . . . . 57 SER CA . 7302 1 669 . 1 1 57 57 SER CB C 13 62.566 0.10 . 1 . . . . 57 SER CB . 7302 1 670 . 1 1 57 57 SER N N 15 114.661 0.10 . 1 . . . . 57 SER N . 7302 1 671 . 1 1 58 58 GLU H H 1 7.332 0.02 . 1 . . . . 58 GLU HN . 7302 1 672 . 1 1 58 58 GLU HA H 1 3.983 0.02 . 1 . . . . 58 GLU HA . 7302 1 673 . 1 1 58 58 GLU HB2 H 1 1.932 0.02 . 2 . . . . 58 GLU HB2 . 7302 1 674 . 1 1 58 58 GLU HG2 H 1 2.230 0.02 . 2 . . . . 58 GLU HG2 . 7302 1 675 . 1 1 58 58 GLU C C 13 177.719 0.10 . 1 . . . . 58 GLU CO . 7302 1 676 . 1 1 58 58 GLU CA C 13 58.177 0.10 . 1 . . . . 58 GLU CA . 7302 1 677 . 1 1 58 58 GLU CB C 13 29.683 0.10 . 1 . . . . 58 GLU CB . 7302 1 678 . 1 1 58 58 GLU CG C 13 35.861 0.10 . 1 . . . . 58 GLU CG . 7302 1 679 . 1 1 58 58 GLU N N 15 119.858 0.10 . 1 . . . . 58 GLU N . 7302 1 680 . 1 1 59 59 LYS H H 1 7.256 0.02 . 1 . . . . 59 LYS HN . 7302 1 681 . 1 1 59 59 LYS HA H 1 4.059 0.02 . 1 . . . . 59 LYS HA . 7302 1 682 . 1 1 59 59 LYS HB2 H 1 1.554 0.02 . 2 . . . . 59 LYS HB2 . 7302 1 683 . 1 1 59 59 LYS HG2 H 1 1.165 0.02 . 2 . . . . 59 LYS HG2 . 7302 1 684 . 1 1 59 59 LYS HG3 H 1 1.281 0.02 . 2 . . . . 59 LYS HG3 . 7302 1 685 . 1 1 59 59 LYS HD2 H 1 1.565 0.02 . 2 . . . . 59 LYS HD2 . 7302 1 686 . 1 1 59 59 LYS HE2 H 1 2.878 0.02 . 2 . . . . 59 LYS HE2 . 7302 1 687 . 1 1 59 59 LYS C C 13 177.428 0.10 . 1 . . . . 59 LYS CO . 7302 1 688 . 1 1 59 59 LYS CA C 13 57.598 0.10 . 1 . . . . 59 LYS CA . 7302 1 689 . 1 1 59 59 LYS CB C 13 33.144 0.10 . 1 . . . . 59 LYS CB . 7302 1 690 . 1 1 59 59 LYS CG C 13 24.536 0.10 . 1 . . . . 59 LYS CG . 7302 1 691 . 1 1 59 59 LYS CD C 13 29.228 0.10 . 1 . . . . 59 LYS CD . 7302 1 692 . 1 1 59 59 LYS CE C 13 42.017 0.10 . 1 . . . . 59 LYS CE . 7302 1 693 . 1 1 59 59 LYS N N 15 116.597 0.10 . 1 . . . . 59 LYS N . 7302 1 694 . 1 1 60 60 HIS H H 1 7.947 0.02 . 1 . . . . 60 HIS HN . 7302 1 695 . 1 1 60 60 HIS HA H 1 4.540 0.02 . 1 . . . . 60 HIS HA . 7302 1 696 . 1 1 60 60 HIS HB2 H 1 2.997 0.02 . 2 . . . . 60 HIS HB2 . 7302 1 697 . 1 1 60 60 HIS HB3 H 1 2.945 0.02 . 2 . . . . 60 HIS HB3 . 7302 1 698 . 1 1 60 60 HIS C C 13 176.242 0.10 . 1 . . . . 60 HIS CO . 7302 1 699 . 1 1 60 60 HIS CA C 13 56.815 0.10 . 1 . . . . 60 HIS CA . 7302 1 700 . 1 1 60 60 HIS CB C 13 30.547 0.10 . 1 . . . . 60 HIS CB . 7302 1 701 . 1 1 60 60 HIS N N 15 116.642 0.10 . 1 . . . . 60 HIS N . 7302 1 702 . 1 1 61 61 SER H H 1 8.041 0.02 . 1 . . . . 61 SER HN . 7302 1 703 . 1 1 61 61 SER HA H 1 4.027 0.02 . 1 . . . . 61 SER HA . 7302 1 704 . 1 1 61 61 SER HB2 H 1 3.754 0.02 . 2 . . . . 61 SER HB2 . 7302 1 705 . 1 1 61 61 SER HB3 H 1 3.622 0.02 . 2 . . . . 61 SER HB3 . 7302 1 706 . 1 1 61 61 SER C C 13 175.630 0.10 . 1 . . . . 61 SER CO . 7302 1 707 . 1 1 61 61 SER CA C 13 60.013 0.10 . 1 . . . . 61 SER CA . 7302 1 708 . 1 1 61 61 SER CB C 13 62.995 0.10 . 1 . . . . 61 SER CB . 7302 1 709 . 1 1 61 61 SER N N 15 116.533 0.10 . 1 . . . . 61 SER N . 7302 1 710 . 1 1 62 62 GLN H H 1 8.344 0.02 . 1 . . . . 62 GLN HN . 7302 1 711 . 1 1 62 62 GLN HA H 1 4.354 0.02 . 1 . . . . 62 GLN HA . 7302 1 712 . 1 1 62 62 GLN HB2 H 1 1.865 0.02 . 2 . . . . 62 GLN HB2 . 7302 1 713 . 1 1 62 62 GLN HB3 H 1 2.056 0.02 . 2 . . . . 62 GLN HB3 . 7302 1 714 . 1 1 62 62 GLN HG2 H 1 2.244 0.02 . 2 . . . . 62 GLN HG2 . 7302 1 715 . 1 1 62 62 GLN C C 13 176.108 0.10 . 1 . . . . 62 GLN CO . 7302 1 716 . 1 1 62 62 GLN CA C 13 56.346 0.10 . 1 . . . . 62 GLN CA . 7302 1 717 . 1 1 62 62 GLN CB C 13 28.836 0.10 . 1 . . . . 62 GLN CB . 7302 1 718 . 1 1 62 62 GLN CG C 13 33.516 0.10 . 1 . . . . 62 GLN CG . 7302 1 719 . 1 1 62 62 GLN N N 15 120.463 0.10 . 1 . . . . 62 GLN N . 7302 1 720 . 1 1 63 63 ASN H H 1 8.149 0.02 . 1 . . . . 63 ASN HN . 7302 1 721 . 1 1 63 63 ASN HA H 1 4.415 0.02 . 1 . . . . 63 ASN HA . 7302 1 722 . 1 1 63 63 ASN HB2 H 1 2.750 0.02 . 2 . . . . 63 ASN HB2 . 7302 1 723 . 1 1 63 63 ASN HB3 H 1 2.535 0.02 . 2 . . . . 63 ASN HB3 . 7302 1 724 . 1 1 63 63 ASN C C 13 175.812 0.10 . 1 . . . . 63 ASN CO . 7302 1 725 . 1 1 63 63 ASN CA C 13 53.293 0.10 . 1 . . . . 63 ASN CA . 7302 1 726 . 1 1 63 63 ASN CB C 13 38.954 0.10 . 1 . . . . 63 ASN CB . 7302 1 727 . 1 1 63 63 ASN N N 15 117.335 0.10 . 1 . . . . 63 ASN N . 7302 1 728 . 1 1 64 64 GLY H H 1 8.223 0.02 . 1 . . . . 64 GLY HN . 7302 1 729 . 1 1 64 64 GLY HA2 H 1 3.832 0.02 . 2 . . . . 64 GLY HA2 . 7302 1 730 . 1 1 64 64 GLY C C 13 173.625 0.10 . 1 . . . . 64 GLY CO . 7302 1 731 . 1 1 64 64 GLY CA C 13 45.694 0.10 . 1 . . . . 64 GLY CA . 7302 1 732 . 1 1 64 64 GLY N N 15 108.296 0.10 . 1 . . . . 64 GLY N . 7302 1 733 . 1 1 65 65 PHE H H 1 7.763 0.02 . 1 . . . . 65 PHE HN . 7302 1 734 . 1 1 65 65 PHE HA H 1 4.604 0.02 . 1 . . . . 65 PHE HA . 7302 1 735 . 1 1 65 65 PHE HB2 H 1 2.850 0.02 . 2 . . . . 65 PHE HB2 . 7302 1 736 . 1 1 65 65 PHE HD1 H 1 6.942 0.02 . 1 . . . . 65 PHE HD1 . 7302 1 737 . 1 1 65 65 PHE HD2 H 1 6.942 0.02 . 1 . . . . 65 PHE HD2 . 7302 1 738 . 1 1 65 65 PHE HE1 H 1 6.769 0.02 . 1 . . . . 65 PHE HE1 . 7302 1 739 . 1 1 65 65 PHE HE2 H 1 6.769 0.02 . 1 . . . . 65 PHE HE2 . 7302 1 740 . 1 1 65 65 PHE C C 13 175.672 0.10 . 1 . . . . 65 PHE CO . 7302 1 741 . 1 1 65 65 PHE CA C 13 57.451 0.10 . 1 . . . . 65 PHE CA . 7302 1 742 . 1 1 65 65 PHE CB C 13 39.755 0.10 . 1 . . . . 65 PHE CB . 7302 1 743 . 1 1 65 65 PHE CD1 C 13 130.647 0.10 . 1 . . . . 65 PHE CD1 . 7302 1 744 . 1 1 65 65 PHE CD2 C 13 130.647 0.10 . 1 . . . . 65 PHE CD2 . 7302 1 745 . 1 1 65 65 PHE CE1 C 13 128.769 0.10 . 1 . . . . 65 PHE CE1 . 7302 1 746 . 1 1 65 65 PHE CE2 C 13 128.769 0.10 . 1 . . . . 65 PHE CE2 . 7302 1 747 . 1 1 65 65 PHE N N 15 120.273 0.10 . 1 . . . . 65 PHE N . 7302 1 748 . 1 1 66 66 ILE H H 1 7.945 0.02 . 1 . . . . 66 ILE HN . 7302 1 749 . 1 1 66 66 ILE HA H 1 4.049 0.02 . 1 . . . . 66 ILE HA . 7302 1 750 . 1 1 66 66 ILE HB H 1 1.601 0.02 . 1 . . . . 66 ILE HB . 7302 1 751 . 1 1 66 66 ILE HG12 H 1 1.160 0.02 . 2 . . . . 66 ILE HG12 . 7302 1 752 . 1 1 66 66 ILE HG13 H 1 0.881 0.02 . 2 . . . . 66 ILE HG13 . 7302 1 753 . 1 1 66 66 ILE HG21 H 1 0.611 0.02 . 1 . . . . 66 ILE HG2 . 7302 1 754 . 1 1 66 66 ILE HG22 H 1 0.611 0.02 . 1 . . . . 66 ILE HG2 . 7302 1 755 . 1 1 66 66 ILE HG23 H 1 0.611 0.02 . 1 . . . . 66 ILE HG2 . 7302 1 756 . 1 1 66 66 ILE HD11 H 1 0.601 0.02 . 1 . . . . 66 ILE HD1 . 7302 1 757 . 1 1 66 66 ILE HD12 H 1 0.601 0.02 . 1 . . . . 66 ILE HD1 . 7302 1 758 . 1 1 66 66 ILE HD13 H 1 0.601 0.02 . 1 . . . . 66 ILE HD1 . 7302 1 759 . 1 1 66 66 ILE C C 13 176.602 0.10 . 1 . . . . 66 ILE CO . 7302 1 760 . 1 1 66 66 ILE CA C 13 56.990 0.10 . 1 . . . . 66 ILE CA . 7302 1 761 . 1 1 66 66 ILE CB C 13 39.482 0.10 . 1 . . . . 66 ILE CB . 7302 1 762 . 1 1 66 66 ILE CG1 C 13 26.742 0.10 . 1 . . . . 66 ILE CG1 . 7302 1 763 . 1 1 66 66 ILE CG2 C 13 16.991 0.10 . 1 . . . . 66 ILE CG2 . 7302 1 764 . 1 1 66 66 ILE CD1 C 13 12.498 0.10 . 1 . . . . 66 ILE CD1 . 7302 1 765 . 1 1 66 66 ILE N N 15 121.157 0.10 . 1 . . . . 66 ILE N . 7302 1 766 . 1 1 67 67 VAL H H 1 8.440 0.02 . 1 . . . . 67 VAL HN . 7302 1 767 . 1 1 67 67 VAL HA H 1 4.219 0.02 . 1 . . . . 67 VAL HA . 7302 1 768 . 1 1 67 67 VAL HB H 1 1.919 0.02 . 1 . . . . 67 VAL HB . 7302 1 769 . 1 1 67 67 VAL HG11 H 1 0.859 0.02 . 2 . . . . 67 VAL HG1# . 7302 1 770 . 1 1 67 67 VAL HG12 H 1 0.859 0.02 . 2 . . . . 67 VAL HG1# . 7302 1 771 . 1 1 67 67 VAL HG13 H 1 0.859 0.02 . 2 . . . . 67 VAL HG1# . 7302 1 772 . 1 1 67 67 VAL C C 13 175.208 0.10 . 1 . . . . 67 VAL CO . 7302 1 773 . 1 1 67 67 VAL CA C 13 54.834 0.10 . 1 . . . . 67 VAL CA . 7302 1 774 . 1 1 67 67 VAL CB C 13 41.283 0.10 . 1 . . . . 67 VAL CB . 7302 1 775 . 1 1 67 67 VAL CG1 C 13 20.613 0.10 . 2 . . . . 67 VAL CG1 . 7302 1 776 . 1 1 67 67 VAL N N 15 121.110 0.10 . 1 . . . . 67 VAL N . 7302 1 777 . 1 1 71 71 PRO HA H 1 4.264 0.02 . 1 . . . . 71 PRO HA . 7302 1 778 . 1 1 71 71 PRO HB2 H 1 2.183 0.02 . 2 . . . . 71 PRO HB2 . 7302 1 779 . 1 1 71 71 PRO HB3 H 1 1.855 0.02 . 2 . . . . 71 PRO HB3 . 7302 1 780 . 1 1 71 71 PRO HG2 H 1 1.908 0.02 . 2 . . . . 71 PRO HG2 . 7302 1 781 . 1 1 71 71 PRO HD2 H 1 3.721 0.02 . 2 . . . . 71 PRO HD2 . 7302 1 782 . 1 1 71 71 PRO C C 13 174.325 0.10 . 1 . . . . 71 PRO CO . 7302 1 783 . 1 1 71 71 PRO CA C 13 59.050 0.10 . 1 . . . . 71 PRO CA . 7302 1 784 . 1 1 71 71 PRO CB C 13 63.734 0.10 . 1 . . . . 71 PRO CB . 7302 1 785 . 1 1 71 71 PRO CG C 13 26.870 0.10 . 1 . . . . 71 PRO CG . 7302 1 786 . 1 1 71 71 PRO CD C 13 50.529 0.10 . 1 . . . . 71 PRO CD . 7302 1 787 . 1 1 72 72 GLU H H 1 8.201 0.02 . 1 . . . . 72 GLU HN . 7302 1 788 . 1 1 72 72 GLU HA H 1 4.116 0.02 . 1 . . . . 72 GLU HA . 7302 1 789 . 1 1 72 72 GLU HB2 H 1 1.921 0.02 . 2 . . . . 72 GLU HB2 . 7302 1 790 . 1 1 72 72 GLU HB3 H 1 1.815 0.02 . 2 . . . . 72 GLU HB3 . 7302 1 791 . 1 1 72 72 GLU HG2 H 1 2.124 0.02 . 2 . . . . 72 GLU HG2 . 7302 1 792 . 1 1 72 72 GLU C C 13 174.598 0.10 . 1 . . . . 72 GLU CO . 7302 1 793 . 1 1 72 72 GLU CA C 13 55.477 0.10 . 1 . . . . 72 GLU CA . 7302 1 794 . 1 1 72 72 GLU CB C 13 29.756 0.10 . 1 . . . . 72 GLU CB . 7302 1 795 . 1 1 72 72 GLU CG C 13 36.096 0.10 . 1 . . . . 72 GLU CG . 7302 1 796 . 1 1 72 72 GLU N N 15 121.615 0.10 . 1 . . . . 72 GLU N . 7302 1 797 . 1 1 73 73 LYS H H 1 8.024 0.02 . 1 . . . . 73 LYS HN . 7302 1 798 . 1 1 73 73 LYS C C 13 179.083 0.10 . 1 . . . . 73 LYS CO . 7302 1 799 . 1 1 73 73 LYS CA C 13 56.018 0.10 . 1 . . . . 73 LYS CA . 7302 1 800 . 1 1 73 73 LYS CB C 13 37.014 0.10 . 1 . . . . 73 LYS CB . 7302 1 801 . 1 1 73 73 LYS N N 15 125.693 0.10 . 1 . . . . 73 LYS N . 7302 1 802 . 1 1 74 74 SER H H 1 8.165 0.02 . 1 . . . . 74 SER HN . 7302 1 803 . 1 1 74 74 SER C C 13 174.505 0.10 . 1 . . . . 74 SER CO . 7302 1 804 . 1 1 74 74 SER CA C 13 58.529 0.10 . 1 . . . . 74 SER CA . 7302 1 805 . 1 1 74 74 SER CB C 13 63.530 0.10 . 1 . . . . 74 SER CB . 7302 1 806 . 1 1 74 74 SER N N 15 115.529 0.10 . 1 . . . . 74 SER N . 7302 1 807 . 1 1 75 75 LEU H H 1 8.067 0.02 . 1 . . . . 75 LEU HN . 7302 1 808 . 1 1 75 75 LEU HA H 1 4.243 0.02 . 1 . . . . 75 LEU HA . 7302 1 809 . 1 1 75 75 LEU HB2 H 1 1.528 0.02 . 2 . . . . 75 LEU HB2 . 7302 1 810 . 1 1 75 75 LEU HB3 H 1 1.478 0.02 . 2 . . . . 75 LEU HB3 . 7302 1 811 . 1 1 75 75 LEU HG H 1 1.524 0.02 . 1 . . . . 75 LEU HG . 7302 1 812 . 1 1 75 75 LEU HD11 H 1 0.808 0.02 . 2 . . . . 75 LEU HD1# . 7302 1 813 . 1 1 75 75 LEU HD12 H 1 0.808 0.02 . 2 . . . . 75 LEU HD1# . 7302 1 814 . 1 1 75 75 LEU HD13 H 1 0.808 0.02 . 2 . . . . 75 LEU HD1# . 7302 1 815 . 1 1 75 75 LEU HD21 H 1 0.760 0.02 . 2 . . . . 75 LEU HD2# . 7302 1 816 . 1 1 75 75 LEU HD22 H 1 0.760 0.02 . 2 . . . . 75 LEU HD2# . 7302 1 817 . 1 1 75 75 LEU HD23 H 1 0.760 0.02 . 2 . . . . 75 LEU HD2# . 7302 1 818 . 1 1 75 75 LEU C C 13 177.322 0.10 . 1 . . . . 75 LEU CO . 7302 1 819 . 1 1 75 75 LEU CA C 13 55.324 0.10 . 1 . . . . 75 LEU CA . 7302 1 820 . 1 1 75 75 LEU CB C 13 42.236 0.10 . 1 . . . . 75 LEU CB . 7302 1 821 . 1 1 75 75 LEU CG C 13 26.709 0.10 . 1 . . . . 75 LEU CG . 7302 1 822 . 1 1 75 75 LEU CD1 C 13 24.562 0.10 . 2 . . . . 75 LEU CD1 . 7302 1 823 . 1 1 75 75 LEU CD2 C 13 23.178 0.10 . 2 . . . . 75 LEU CD2 . 7302 1 824 . 1 1 75 75 LEU N N 15 123.476 0.10 . 1 . . . . 75 LEU N . 7302 1 825 . 1 1 76 76 ILE H H 1 7.785 0.02 . 1 . . . . 76 ILE HN . 7302 1 826 . 1 1 76 76 ILE HA H 1 3.932 0.02 . 1 . . . . 76 ILE HA . 7302 1 827 . 1 1 76 76 ILE HB H 1 1.715 0.02 . 1 . . . . 76 ILE HB . 7302 1 828 . 1 1 76 76 ILE HG12 H 1 1.030 0.02 . 2 . . . . 76 ILE HG12 . 7302 1 829 . 1 1 76 76 ILE HG13 H 1 1.306 0.02 . 2 . . . . 76 ILE HG13 . 7302 1 830 . 1 1 76 76 ILE HG21 H 1 0.723 0.02 . 1 . . . . 76 ILE HG2 . 7302 1 831 . 1 1 76 76 ILE HG22 H 1 0.723 0.02 . 1 . . . . 76 ILE HG2 . 7302 1 832 . 1 1 76 76 ILE HG23 H 1 0.723 0.02 . 1 . . . . 76 ILE HG2 . 7302 1 833 . 1 1 76 76 ILE HD11 H 1 0.669 0.02 . 1 . . . . 76 ILE HD1 . 7302 1 834 . 1 1 76 76 ILE HD12 H 1 0.669 0.02 . 1 . . . . 76 ILE HD1 . 7302 1 835 . 1 1 76 76 ILE HD13 H 1 0.669 0.02 . 1 . . . . 76 ILE HD1 . 7302 1 836 . 1 1 76 76 ILE C C 13 176.618 0.10 . 1 . . . . 76 ILE CO . 7302 1 837 . 1 1 76 76 ILE CA C 13 61.585 0.10 . 1 . . . . 76 ILE CA . 7302 1 838 . 1 1 76 76 ILE CB C 13 38.432 0.10 . 1 . . . . 76 ILE CB . 7302 1 839 . 1 1 76 76 ILE CG1 C 13 27.353 0.10 . 1 . . . . 76 ILE CG1 . 7302 1 840 . 1 1 76 76 ILE CG2 C 13 17.279 0.10 . 1 . . . . 76 ILE CG2 . 7302 1 841 . 1 1 76 76 ILE CD1 C 13 12.861 0.10 . 1 . . . . 76 ILE CD1 . 7302 1 842 . 1 1 76 76 ILE N N 15 119.588 0.10 . 1 . . . . 76 ILE N . 7302 1 843 . 1 1 77 77 GLY H H 1 8.298 0.02 . 1 . . . . 77 GLY HN . 7302 1 844 . 1 1 77 77 GLY C C 13 174.262 0.10 . 1 . . . . 77 GLY CO . 7302 1 845 . 1 1 77 77 GLY CA C 13 45.343 0.10 . 1 . . . . 77 GLY CA . 7302 1 846 . 1 1 77 77 GLY N N 15 111.714 0.10 . 1 . . . . 77 GLY N . 7302 1 847 . 1 1 78 78 MET H H 1 8.028 0.02 . 1 . . . . 78 MET HN . 7302 1 848 . 1 1 78 78 MET C C 13 176.348 0.10 . 1 . . . . 78 MET CO . 7302 1 849 . 1 1 78 78 MET CA C 13 55.605 0.10 . 1 . . . . 78 MET CA . 7302 1 850 . 1 1 78 78 MET CB C 13 32.949 0.10 . 1 . . . . 78 MET CB . 7302 1 851 . 1 1 78 78 MET N N 15 119.478 0.10 . 1 . . . . 78 MET N . 7302 1 852 . 1 1 79 79 THR H H 1 7.985 0.02 . 1 . . . . 79 THR HN . 7302 1 853 . 1 1 79 79 THR C C 13 174.257 0.10 . 1 . . . . 79 THR CO . 7302 1 854 . 1 1 79 79 THR CA C 13 61.944 0.10 . 1 . . . . 79 THR CA . 7302 1 855 . 1 1 79 79 THR CB C 13 69.750 0.10 . 1 . . . . 79 THR CB . 7302 1 856 . 1 1 79 79 THR N N 15 114.319 0.10 . 1 . . . . 79 THR N . 7302 1 857 . 1 1 80 80 LYS H H 1 8.201 0.02 . 1 . . . . 80 LYS HN . 7302 1 858 . 1 1 80 80 LYS HA H 1 4.221 0.02 . 1 . . . . 80 LYS HA . 7302 1 859 . 1 1 80 80 LYS HB2 H 1 1.722 0.02 . 2 . . . . 80 LYS HB2 . 7302 1 860 . 1 1 80 80 LYS HB3 H 1 1.636 0.02 . 2 . . . . 80 LYS HB3 . 7302 1 861 . 1 1 80 80 LYS HG2 H 1 1.297 0.02 . 2 . . . . 80 LYS HG2 . 7302 1 862 . 1 1 80 80 LYS HD2 H 1 1.551 0.02 . 2 . . . . 80 LYS HD2 . 7302 1 863 . 1 1 80 80 LYS HE2 H 1 2.874 0.02 . 2 . . . . 80 LYS HE2 . 7302 1 864 . 1 1 80 80 LYS C C 13 176.267 0.10 . 1 . . . . 80 LYS CO . 7302 1 865 . 1 1 80 80 LYS CA C 13 56.373 0.10 . 1 . . . . 80 LYS CA . 7302 1 866 . 1 1 80 80 LYS CB C 13 32.828 0.10 . 1 . . . . 80 LYS CB . 7302 1 867 . 1 1 80 80 LYS CG C 13 24.541 0.10 . 1 . . . . 80 LYS CG . 7302 1 868 . 1 1 80 80 LYS CD C 13 28.945 0.10 . 1 . . . . 80 LYS CD . 7302 1 869 . 1 1 80 80 LYS CE C 13 41.993 0.10 . 1 . . . . 80 LYS CE . 7302 1 870 . 1 1 80 80 LYS N N 15 122.842 0.10 . 1 . . . . 80 LYS N . 7302 1 871 . 1 1 81 81 VAL H H 1 7.899 0.02 . 1 . . . . 81 VAL HN . 7302 1 872 . 1 1 81 81 VAL HA H 1 3.978 0.02 . 1 . . . . 81 VAL HA . 7302 1 873 . 1 1 81 81 VAL HB H 1 1.927 0.02 . 1 . . . . 81 VAL HB . 7302 1 874 . 1 1 81 81 VAL HG11 H 1 0.812 0.02 . 2 . . . . 81 VAL HG1# . 7302 1 875 . 1 1 81 81 VAL HG12 H 1 0.812 0.02 . 2 . . . . 81 VAL HG1# . 7302 1 876 . 1 1 81 81 VAL HG13 H 1 0.812 0.02 . 2 . . . . 81 VAL HG1# . 7302 1 877 . 1 1 81 81 VAL HG21 H 1 0.782 0.02 . 2 . . . . 81 VAL HG2# . 7302 1 878 . 1 1 81 81 VAL HG22 H 1 0.782 0.02 . 2 . . . . 81 VAL HG2# . 7302 1 879 . 1 1 81 81 VAL HG23 H 1 0.782 0.02 . 2 . . . . 81 VAL HG2# . 7302 1 880 . 1 1 81 81 VAL C C 13 175.714 0.10 . 1 . . . . 81 VAL CO . 7302 1 881 . 1 1 81 81 VAL CA C 13 62.133 0.10 . 1 . . . . 81 VAL CA . 7302 1 882 . 1 1 81 81 VAL CB C 13 32.782 0.10 . 1 . . . . 81 VAL CB . 7302 1 883 . 1 1 81 81 VAL CG1 C 13 20.632 0.10 . 2 . . . . 81 VAL CG1 . 7302 1 884 . 1 1 81 81 VAL CG2 C 13 20.657 0.10 . 2 . . . . 81 VAL CG2 . 7302 1 885 . 1 1 81 81 VAL N N 15 120.304 0.10 . 1 . . . . 81 VAL N . 7302 1 886 . 1 1 82 82 LYS H H 1 8.271 0.02 . 1 . . . . 82 LYS HN . 7302 1 887 . 1 1 82 82 LYS HA H 1 4.215 0.02 . 1 . . . . 82 LYS HA . 7302 1 888 . 1 1 82 82 LYS HB2 H 1 1.633 0.02 . 2 . . . . 82 LYS HB2 . 7302 1 889 . 1 1 82 82 LYS HB3 H 1 1.710 0.02 . 2 . . . . 82 LYS HB3 . 7302 1 890 . 1 1 82 82 LYS HG2 H 1 1.308 0.02 . 2 . . . . 82 LYS HG2 . 7302 1 891 . 1 1 82 82 LYS HD2 H 1 1.557 0.02 . 2 . . . . 82 LYS HD2 . 7302 1 892 . 1 1 82 82 LYS HE2 H 1 2.877 0.02 . 2 . . . . 82 LYS HE2 . 7302 1 893 . 1 1 82 82 LYS C C 13 176.089 0.10 . 1 . . . . 82 LYS CO . 7302 1 894 . 1 1 82 82 LYS CA C 13 56.086 0.10 . 1 . . . . 82 LYS CA . 7302 1 895 . 1 1 82 82 LYS CB C 13 33.077 0.10 . 1 . . . . 82 LYS CB . 7302 1 896 . 1 1 82 82 LYS CG C 13 24.529 0.10 . 1 . . . . 82 LYS CG . 7302 1 897 . 1 1 82 82 LYS CD C 13 28.851 0.10 . 1 . . . . 82 LYS CD . 7302 1 898 . 1 1 82 82 LYS CE C 13 41.993 0.10 . 1 . . . . 82 LYS CE . 7302 1 899 . 1 1 82 82 LYS N N 15 124.950 0.10 . 1 . . . . 82 LYS N . 7302 1 900 . 1 1 83 83 VAL H H 1 8.080 0.02 . 1 . . . . 83 VAL HN . 7302 1 901 . 1 1 83 83 VAL HA H 1 3.984 0.02 . 1 . . . . 83 VAL HA . 7302 1 902 . 1 1 83 83 VAL HB H 1 1.933 0.02 . 1 . . . . 83 VAL HB . 7302 1 903 . 1 1 83 83 VAL HG11 H 1 0.805 0.02 . 2 . . . . 83 VAL HG1# . 7302 1 904 . 1 1 83 83 VAL HG12 H 1 0.805 0.02 . 2 . . . . 83 VAL HG1# . 7302 1 905 . 1 1 83 83 VAL HG13 H 1 0.805 0.02 . 2 . . . . 83 VAL HG1# . 7302 1 906 . 1 1 83 83 VAL HG21 H 1 0.805 0.02 . 2 . . . . 83 VAL HG2# . 7302 1 907 . 1 1 83 83 VAL HG22 H 1 0.805 0.02 . 2 . . . . 83 VAL HG2# . 7302 1 908 . 1 1 83 83 VAL HG23 H 1 0.805 0.02 . 2 . . . . 83 VAL HG2# . 7302 1 909 . 1 1 83 83 VAL C C 13 176.350 0.10 . 1 . . . . 83 VAL CO . 7302 1 910 . 1 1 83 83 VAL CA C 13 62.341 0.10 . 1 . . . . 83 VAL CA . 7302 1 911 . 1 1 83 83 VAL CB C 13 32.745 0.10 . 1 . . . . 83 VAL CB . 7302 1 912 . 1 1 83 83 VAL CG1 C 13 20.757 0.10 . 2 . . . . 83 VAL CG1 . 7302 1 913 . 1 1 83 83 VAL CG2 C 13 20.637 0.10 . 2 . . . . 83 VAL CG2 . 7302 1 914 . 1 1 83 83 VAL N N 15 121.417 0.10 . 1 . . . . 83 VAL N . 7302 1 915 . 1 1 84 84 GLY H H 1 8.474 0.02 . 1 . . . . 84 GLY HN . 7302 1 916 . 1 1 84 84 GLY HA2 H 1 3.933 0.02 . 2 . . . . 84 GLY HA2 . 7302 1 917 . 1 1 84 84 GLY HA3 H 1 3.727 0.02 . 2 . . . . 84 GLY HA3 . 7302 1 918 . 1 1 84 84 GLY C C 13 173.901 0.10 . 1 . . . . 84 GLY CO . 7302 1 919 . 1 1 84 84 GLY CA C 13 44.999 0.10 . 1 . . . . 84 GLY CA . 7302 1 920 . 1 1 84 84 GLY N N 15 112.944 0.10 . 1 . . . . 84 GLY N . 7302 1 921 . 1 1 85 85 LYS H H 1 8.157 0.02 . 1 . . . . 85 LYS HN . 7302 1 922 . 1 1 85 85 LYS HA H 1 4.228 0.02 . 1 . . . . 85 LYS HA . 7302 1 923 . 1 1 85 85 LYS HB2 H 1 1.634 0.02 . 2 . . . . 85 LYS HB2 . 7302 1 924 . 1 1 85 85 LYS HB3 H 1 1.710 0.02 . 2 . . . . 85 LYS HB3 . 7302 1 925 . 1 1 85 85 LYS HG2 H 1 1.295 0.02 . 2 . . . . 85 LYS HG2 . 7302 1 926 . 1 1 85 85 LYS HD2 H 1 1.555 0.02 . 2 . . . . 85 LYS HD2 . 7302 1 927 . 1 1 85 85 LYS HE2 H 1 2.871 0.02 . 2 . . . . 85 LYS HE2 . 7302 1 928 . 1 1 85 85 LYS C C 13 176.595 0.10 . 1 . . . . 85 LYS CO . 7302 1 929 . 1 1 85 85 LYS CA C 13 56.147 0.10 . 1 . . . . 85 LYS CA . 7302 1 930 . 1 1 85 85 LYS CB C 13 33.072 0.10 . 1 . . . . 85 LYS CB . 7302 1 931 . 1 1 85 85 LYS CG C 13 24.421 0.10 . 1 . . . . 85 LYS CG . 7302 1 932 . 1 1 85 85 LYS CD C 13 28.982 0.10 . 1 . . . . 85 LYS CD . 7302 1 933 . 1 1 85 85 LYS CE C 13 42.149 0.10 . 1 . . . . 85 LYS CE . 7302 1 934 . 1 1 85 85 LYS N N 15 120.768 0.10 . 1 . . . . 85 LYS N . 7302 1 935 . 1 1 86 86 GLU H H 1 8.500 0.02 . 1 . . . . 86 GLU HN . 7302 1 936 . 1 1 86 86 GLU HA H 1 3.547 0.02 . 1 . . . . 86 GLU HA . 7302 1 937 . 1 1 86 86 GLU HB2 H 1 2.417 0.02 . 2 . . . . 86 GLU HB2 . 7302 1 938 . 1 1 86 86 GLU HG2 H 1 1.813 0.02 . 2 . . . . 86 GLU HG2 . 7302 1 939 . 1 1 86 86 GLU HG3 H 1 2.139 0.02 . 2 . . . . 86 GLU HG3 . 7302 1 940 . 1 1 86 86 GLU C C 13 175.971 0.10 . 1 . . . . 86 GLU CO . 7302 1 941 . 1 1 86 86 GLU CA C 13 56.567 0.10 . 1 . . . . 86 GLU CA . 7302 1 942 . 1 1 86 86 GLU CB C 13 30.109 0.10 . 1 . . . . 86 GLU CB . 7302 1 943 . 1 1 86 86 GLU CG C 13 35.923 0.10 . 1 . . . . 86 GLU CG . 7302 1 944 . 1 1 86 86 GLU N N 15 121.552 0.10 . 1 . . . . 86 GLU N . 7302 1 945 . 1 1 87 87 ASP H H 1 8.235 0.02 . 1 . . . . 87 ASP HN . 7302 1 946 . 1 1 87 87 ASP C C 13 176.480 0.10 . 1 . . . . 87 ASP CO . 7302 1 947 . 1 1 87 87 ASP CA C 13 53.993 0.10 . 1 . . . . 87 ASP CA . 7302 1 948 . 1 1 87 87 ASP CB C 13 41.227 0.10 . 1 . . . . 87 ASP CB . 7302 1 949 . 1 1 87 87 ASP N N 15 121.659 0.10 . 1 . . . . 87 ASP N . 7302 1 950 . 1 1 88 88 SER H H 1 8.201 0.02 . 1 . . . . 88 SER HN . 7302 1 951 . 1 1 88 88 SER C C 13 175.424 0.10 . 1 . . . . 88 SER CO . 7302 1 952 . 1 1 88 88 SER CA C 13 58.659 0.10 . 1 . . . . 88 SER CA . 7302 1 953 . 1 1 88 88 SER CB C 13 63.155 0.10 . 1 . . . . 88 SER CB . 7302 1 954 . 1 1 88 88 SER N N 15 117.092 0.10 . 1 . . . . 88 SER N . 7302 1 955 . 1 1 89 89 SER H H 1 8.245 0.02 . 1 . . . . 89 SER HN . 7302 1 956 . 1 1 89 89 SER C C 13 174.641 0.10 . 1 . . . . 89 SER CO . 7302 1 957 . 1 1 89 89 SER CA C 13 58.632 0.10 . 1 . . . . 89 SER CA . 7302 1 958 . 1 1 89 89 SER CB C 13 64.040 0.10 . 1 . . . . 89 SER CB . 7302 1 959 . 1 1 89 89 SER N N 15 116.237 0.10 . 1 . . . . 89 SER N . 7302 1 960 . 1 1 90 90 SER H H 1 8.111 0.02 . 1 . . . . 90 SER HN . 7302 1 961 . 1 1 90 90 SER HA H 1 4.678 0.02 . 1 . . . . 90 SER HA . 7302 1 962 . 1 1 90 90 SER HB2 H 1 3.780 0.02 . 2 . . . . 90 SER HB2 . 7302 1 963 . 1 1 90 90 SER HB3 H 1 4.016 0.02 . 2 . . . . 90 SER HB3 . 7302 1 964 . 1 1 90 90 SER C C 13 174.872 0.10 . 1 . . . . 90 SER CO . 7302 1 965 . 1 1 90 90 SER CA C 13 58.707 0.10 . 1 . . . . 90 SER CA . 7302 1 966 . 1 1 90 90 SER CB C 13 64.040 0.10 . 1 . . . . 90 SER CB . 7302 1 967 . 1 1 90 90 SER N N 15 118.411 0.10 . 1 . . . . 90 SER N . 7302 1 968 . 1 1 91 91 ALA H H 1 8.641 0.02 . 1 . . . . 91 ALA HN . 7302 1 969 . 1 1 91 91 ALA HA H 1 4.000 0.02 . 1 . . . . 91 ALA HA . 7302 1 970 . 1 1 91 91 ALA HB1 H 1 1.401 0.02 . 1 . . . . 91 ALA HB . 7302 1 971 . 1 1 91 91 ALA HB2 H 1 1.401 0.02 . 1 . . . . 91 ALA HB . 7302 1 972 . 1 1 91 91 ALA HB3 H 1 1.401 0.02 . 1 . . . . 91 ALA HB . 7302 1 973 . 1 1 91 91 ALA C C 13 180.512 0.10 . 1 . . . . 91 ALA CO . 7302 1 974 . 1 1 91 91 ALA CA C 13 55.247 0.10 . 1 . . . . 91 ALA CA . 7302 1 975 . 1 1 91 91 ALA CB C 13 18.218 0.10 . 1 . . . . 91 ALA CB . 7302 1 976 . 1 1 91 91 ALA N N 15 125.313 0.10 . 1 . . . . 91 ALA N . 7302 1 977 . 1 1 92 92 GLU H H 1 8.527 0.02 . 1 . . . . 92 GLU HN . 7302 1 978 . 1 1 92 92 GLU HA H 1 4.000 0.02 . 1 . . . . 92 GLU HA . 7302 1 979 . 1 1 92 92 GLU HB2 H 1 1.892 0.02 . 2 . . . . 92 GLU HB2 . 7302 1 980 . 1 1 92 92 GLU HG2 H 1 2.202 0.02 . 2 . . . . 92 GLU HG2 . 7302 1 981 . 1 1 92 92 GLU C C 13 178.392 0.10 . 1 . . . . 92 GLU CO . 7302 1 982 . 1 1 92 92 GLU CA C 13 59.380 0.10 . 1 . . . . 92 GLU CA . 7302 1 983 . 1 1 92 92 GLU CB C 13 29.410 0.10 . 1 . . . . 92 GLU CB . 7302 1 984 . 1 1 92 92 GLU CG C 13 36.417 0.10 . 1 . . . . 92 GLU CG . 7302 1 985 . 1 1 92 92 GLU N N 15 118.411 0.10 . 1 . . . . 92 GLU N . 7302 1 986 . 1 1 93 93 PHE H H 1 7.885 0.02 . 1 . . . . 93 PHE HN . 7302 1 987 . 1 1 93 93 PHE HA H 1 4.071 0.02 . 1 . . . . 93 PHE HA . 7302 1 988 . 1 1 93 93 PHE HB2 H 1 3.104 0.02 . 2 . . . . 93 PHE HB2 . 7302 1 989 . 1 1 93 93 PHE HD1 H 1 7.047 0.02 . 1 . . . . 93 PHE HD1 . 7302 1 990 . 1 1 93 93 PHE HD2 H 1 7.047 0.02 . 1 . . . . 93 PHE HD2 . 7302 1 991 . 1 1 93 93 PHE HE1 H 1 7.140 0.02 . 1 . . . . 93 PHE HE1 . 7302 1 992 . 1 1 93 93 PHE HE2 H 1 7.140 0.02 . 1 . . . . 93 PHE HE2 . 7302 1 993 . 1 1 93 93 PHE C C 13 177.722 0.10 . 1 . . . . 93 PHE CO . 7302 1 994 . 1 1 93 93 PHE CA C 13 61.178 0.10 . 1 . . . . 93 PHE CA . 7302 1 995 . 1 1 93 93 PHE CB C 13 39.194 0.10 . 1 . . . . 93 PHE CB . 7302 1 996 . 1 1 93 93 PHE CD1 C 13 131.800 0.10 . 1 . . . . 93 PHE CD1 . 7302 1 997 . 1 1 93 93 PHE CD2 C 13 131.800 0.10 . 1 . . . . 93 PHE CD2 . 7302 1 998 . 1 1 93 93 PHE N N 15 121.565 0.10 . 1 . . . . 93 PHE N . 7302 1 999 . 1 1 94 94 LEU H H 1 8.273 0.02 . 1 . . . . 94 LEU HN . 7302 1 1000 . 1 1 94 94 LEU HA H 1 3.877 0.02 . 1 . . . . 94 LEU HA . 7302 1 1001 . 1 1 94 94 LEU HB2 H 1 1.841 0.02 . 2 . . . . 94 LEU HB2 . 7302 1 1002 . 1 1 94 94 LEU HB3 H 1 1.324 0.02 . 2 . . . . 94 LEU HB3 . 7302 1 1003 . 1 1 94 94 LEU HG H 1 1.815 0.02 . 1 . . . . 94 LEU HG . 7302 1 1004 . 1 1 94 94 LEU HD11 H 1 0.740 0.02 . 2 . . . . 94 LEU HD1# . 7302 1 1005 . 1 1 94 94 LEU HD12 H 1 0.740 0.02 . 2 . . . . 94 LEU HD1# . 7302 1 1006 . 1 1 94 94 LEU HD13 H 1 0.740 0.02 . 2 . . . . 94 LEU HD1# . 7302 1 1007 . 1 1 94 94 LEU HD21 H 1 0.821 0.02 . 2 . . . . 94 LEU HD2# . 7302 1 1008 . 1 1 94 94 LEU HD22 H 1 0.821 0.02 . 2 . . . . 94 LEU HD2# . 7302 1 1009 . 1 1 94 94 LEU HD23 H 1 0.821 0.02 . 2 . . . . 94 LEU HD2# . 7302 1 1010 . 1 1 94 94 LEU C C 13 178.911 0.10 . 1 . . . . 94 LEU CO . 7302 1 1011 . 1 1 94 94 LEU CA C 13 57.612 0.10 . 1 . . . . 94 LEU CA . 7302 1 1012 . 1 1 94 94 LEU CB C 13 41.315 0.10 . 1 . . . . 94 LEU CB . 7302 1 1013 . 1 1 94 94 LEU CG C 13 26.609 0.10 . 1 . . . . 94 LEU CG . 7302 1 1014 . 1 1 94 94 LEU CD1 C 13 25.197 0.10 . 2 . . . . 94 LEU CD1 . 7302 1 1015 . 1 1 94 94 LEU CD2 C 13 23.269 0.10 . 2 . . . . 94 LEU CD2 . 7302 1 1016 . 1 1 94 94 LEU N N 15 118.839 0.10 . 1 . . . . 94 LEU N . 7302 1 1017 . 1 1 95 95 GLU H H 1 7.917 0.02 . 1 . . . . 95 GLU HN . 7302 1 1018 . 1 1 95 95 GLU HA H 1 4.420 0.02 . 1 . . . . 95 GLU HA . 7302 1 1019 . 1 1 95 95 GLU HB2 H 1 1.838 0.02 . 2 . . . . 95 GLU HB2 . 7302 1 1020 . 1 1 95 95 GLU HG2 H 1 2.443 0.02 . 2 . . . . 95 GLU HG2 . 7302 1 1021 . 1 1 95 95 GLU HG3 H 1 2.041 0.02 . 2 . . . . 95 GLU HG3 . 7302 1 1022 . 1 1 95 95 GLU C C 13 177.635 0.10 . 1 . . . . 95 GLU CO . 7302 1 1023 . 1 1 95 95 GLU CA C 13 57.623 0.10 . 1 . . . . 95 GLU CA . 7302 1 1024 . 1 1 95 95 GLU CB C 13 27.873 0.10 . 1 . . . . 95 GLU CB . 7302 1 1025 . 1 1 95 95 GLU CG C 13 34.236 0.10 . 1 . . . . 95 GLU CG . 7302 1 1026 . 1 1 95 95 GLU N N 15 120.056 0.10 . 1 . . . . 95 GLU N . 7302 1 1027 . 1 1 96 96 LYS H H 1 7.748 0.02 . 1 . . . . 96 LYS HN . 7302 1 1028 . 1 1 96 96 LYS HA H 1 3.914 0.02 . 1 . . . . 96 LYS HA . 7302 1 1029 . 1 1 96 96 LYS HB2 H 1 1.732 0.02 . 2 . . . . 96 LYS HB2 . 7302 1 1030 . 1 1 96 96 LYS HB3 H 1 1.665 0.02 . 2 . . . . 96 LYS HB3 . 7302 1 1031 . 1 1 96 96 LYS HG2 H 1 1.305 0.02 . 2 . . . . 96 LYS HG2 . 7302 1 1032 . 1 1 96 96 LYS HG3 H 1 1.504 0.02 . 2 . . . . 96 LYS HG3 . 7302 1 1033 . 1 1 96 96 LYS HD2 H 1 1.533 0.02 . 2 . . . . 96 LYS HD2 . 7302 1 1034 . 1 1 96 96 LYS HE2 H 1 2.827 0.02 . 2 . . . . 96 LYS HE2 . 7302 1 1035 . 1 1 96 96 LYS C C 13 180.303 0.10 . 1 . . . . 96 LYS CO . 7302 1 1036 . 1 1 96 96 LYS CA C 13 59.318 0.10 . 1 . . . . 96 LYS CA . 7302 1 1037 . 1 1 96 96 LYS CB C 13 32.136 0.10 . 1 . . . . 96 LYS CB . 7302 1 1038 . 1 1 96 96 LYS CG C 13 25.405 0.10 . 1 . . . . 96 LYS CG . 7302 1 1039 . 1 1 96 96 LYS CD C 13 29.166 0.10 . 1 . . . . 96 LYS CD . 7302 1 1040 . 1 1 96 96 LYS CE C 13 41.981 0.10 . 1 . . . . 96 LYS CE . 7302 1 1041 . 1 1 96 96 LYS N N 15 119.033 0.10 . 1 . . . . 96 LYS N . 7302 1 1042 . 1 1 97 97 ARG H H 1 7.800 0.02 . 1 . . . . 97 ARG HN . 7302 1 1043 . 1 1 97 97 ARG HA H 1 3.701 0.02 . 1 . . . . 97 ARG HA . 7302 1 1044 . 1 1 97 97 ARG HB2 H 1 1.755 0.02 . 2 . . . . 97 ARG HB2 . 7302 1 1045 . 1 1 97 97 ARG HB3 H 1 1.601 0.02 . 2 . . . . 97 ARG HB3 . 7302 1 1046 . 1 1 97 97 ARG HG2 H 1 1.284 0.02 . 2 . . . . 97 ARG HG2 . 7302 1 1047 . 1 1 97 97 ARG HD2 H 1 2.734 0.02 . 2 . . . . 97 ARG HD2 . 7302 1 1048 . 1 1 97 97 ARG C C 13 176.935 0.10 . 1 . . . . 97 ARG CO . 7302 1 1049 . 1 1 97 97 ARG CA C 13 58.721 0.10 . 1 . . . . 97 ARG CA . 7302 1 1050 . 1 1 97 97 ARG CB C 13 29.852 0.10 . 1 . . . . 97 ARG CB . 7302 1 1051 . 1 1 97 97 ARG CG C 13 26.101 0.10 . 1 . . . . 97 ARG CG . 7302 1 1052 . 1 1 97 97 ARG CD C 13 42.945 0.10 . 1 . . . . 97 ARG CD . 7302 1 1053 . 1 1 97 97 ARG N N 15 119.956 0.10 . 1 . . . . 97 ARG N . 7302 1 1054 . 1 1 98 98 ARG H H 1 8.491 0.02 . 1 . . . . 98 ARG HN . 7302 1 1055 . 1 1 98 98 ARG HA H 1 3.933 0.02 . 1 . . . . 98 ARG HA . 7302 1 1056 . 1 1 98 98 ARG HB2 H 1 1.538 0.02 . 2 . . . . 98 ARG HB2 . 7302 1 1057 . 1 1 98 98 ARG HG2 H 1 1.311 0.02 . 2 . . . . 98 ARG HG2 . 7302 1 1058 . 1 1 98 98 ARG HG3 H 1 1.487 0.02 . 2 . . . . 98 ARG HG3 . 7302 1 1059 . 1 1 98 98 ARG HD2 H 1 2.831 0.02 . 2 . . . . 98 ARG HD2 . 7302 1 1060 . 1 1 98 98 ARG C C 13 177.635 0.10 . 1 . . . . 98 ARG CO . 7302 1 1061 . 1 1 98 98 ARG CA C 13 59.919 0.10 . 1 . . . . 98 ARG CA . 7302 1 1062 . 1 1 98 98 ARG CB C 13 29.611 0.10 . 1 . . . . 98 ARG CB . 7302 1 1063 . 1 1 98 98 ARG CG C 13 25.046 0.10 . 1 . . . . 98 ARG CG . 7302 1 1064 . 1 1 98 98 ARG CD C 13 41.926 0.10 . 1 . . . . 98 ARG CD . 7302 1 1065 . 1 1 98 98 ARG N N 15 120.667 0.10 . 1 . . . . 98 ARG N . 7302 1 1066 . 1 1 99 99 ALA H H 1 8.345 0.02 . 1 . . . . 99 ALA HN . 7302 1 1067 . 1 1 99 99 ALA HA H 1 3.766 0.02 . 1 . . . . 99 ALA HA . 7302 1 1068 . 1 1 99 99 ALA HB1 H 1 1.361 0.02 . 1 . . . . 99 ALA HB . 7302 1 1069 . 1 1 99 99 ALA HB2 H 1 1.361 0.02 . 1 . . . . 99 ALA HB . 7302 1 1070 . 1 1 99 99 ALA HB3 H 1 1.361 0.02 . 1 . . . . 99 ALA HB . 7302 1 1071 . 1 1 99 99 ALA C C 13 180.325 0.10 . 1 . . . . 99 ALA CO . 7302 1 1072 . 1 1 99 99 ALA CA C 13 55.126 0.10 . 1 . . . . 99 ALA CA . 7302 1 1073 . 1 1 99 99 ALA CB C 13 18.331 0.10 . 1 . . . . 99 ALA CB . 7302 1 1074 . 1 1 99 99 ALA N N 15 119.225 0.10 . 1 . . . . 99 ALA N . 7302 1 1075 . 1 1 100 100 ALA H H 1 7.694 0.02 . 1 . . . . 100 ALA HN . 7302 1 1076 . 1 1 100 100 ALA HA H 1 3.977 0.02 . 1 . . . . 100 ALA HA . 7302 1 1077 . 1 1 100 100 ALA HB1 H 1 1.303 0.02 . 1 . . . . 100 ALA HB . 7302 1 1078 . 1 1 100 100 ALA HB2 H 1 1.303 0.02 . 1 . . . . 100 ALA HB . 7302 1 1079 . 1 1 100 100 ALA HB3 H 1 1.303 0.02 . 1 . . . . 100 ALA HB . 7302 1 1080 . 1 1 100 100 ALA C C 13 181.336 0.10 . 1 . . . . 100 ALA CO . 7302 1 1081 . 1 1 100 100 ALA CA C 13 54.849 0.10 . 1 . . . . 100 ALA CA . 7302 1 1082 . 1 1 100 100 ALA CB C 13 18.428 0.10 . 1 . . . . 100 ALA CB . 7302 1 1083 . 1 1 100 100 ALA N N 15 120.284 0.10 . 1 . . . . 100 ALA N . 7302 1 1084 . 1 1 101 101 LEU H H 1 8.489 0.02 . 1 . . . . 101 LEU HN . 7302 1 1085 . 1 1 101 101 LEU HA H 1 3.660 0.02 . 1 . . . . 101 LEU HA . 7302 1 1086 . 1 1 101 101 LEU HB2 H 1 1.317 0.02 . 2 . . . . 101 LEU HB2 . 7302 1 1087 . 1 1 101 101 LEU HB3 H 1 0.445 0.02 . 2 . . . . 101 LEU HB3 . 7302 1 1088 . 1 1 101 101 LEU HG H 1 1.237 0.02 . 1 . . . . 101 LEU HG . 7302 1 1089 . 1 1 101 101 LEU HD11 H 1 -0.193 0.02 . 2 . . . . 101 LEU HD1# . 7302 1 1090 . 1 1 101 101 LEU HD12 H 1 -0.193 0.02 . 2 . . . . 101 LEU HD1# . 7302 1 1091 . 1 1 101 101 LEU HD13 H 1 -0.193 0.02 . 2 . . . . 101 LEU HD1# . 7302 1 1092 . 1 1 101 101 LEU HD21 H 1 -0.302 0.02 . 2 . . . . 101 LEU HD2# . 7302 1 1093 . 1 1 101 101 LEU HD22 H 1 -0.302 0.02 . 2 . . . . 101 LEU HD2# . 7302 1 1094 . 1 1 101 101 LEU HD23 H 1 -0.302 0.02 . 2 . . . . 101 LEU HD2# . 7302 1 1095 . 1 1 101 101 LEU C C 13 177.838 0.10 . 1 . . . . 101 LEU CO . 7302 1 1096 . 1 1 101 101 LEU CA C 13 57.244 0.10 . 1 . . . . 101 LEU CA . 7302 1 1097 . 1 1 101 101 LEU CB C 13 40.763 0.10 . 1 . . . . 101 LEU CB . 7302 1 1098 . 1 1 101 101 LEU CG C 13 25.492 0.10 . 1 . . . . 101 LEU CG . 7302 1 1099 . 1 1 101 101 LEU CD1 C 13 20.439 0.10 . 2 . . . . 101 LEU CD1 . 7302 1 1100 . 1 1 101 101 LEU CD2 C 13 23.921 0.10 . 2 . . . . 101 LEU CD2 . 7302 1 1101 . 1 1 101 101 LEU N N 15 120.327 0.10 . 1 . . . . 101 LEU N . 7302 1 1102 . 1 1 102 102 GLU H H 1 8.389 0.02 . 1 . . . . 102 GLU HN . 7302 1 1103 . 1 1 102 102 GLU HA H 1 3.619 0.02 . 1 . . . . 102 GLU HA . 7302 1 1104 . 1 1 102 102 GLU HB2 H 1 2.217 0.02 . 2 . . . . 102 GLU HB2 . 7302 1 1105 . 1 1 102 102 GLU HB3 H 1 1.947 0.02 . 2 . . . . 102 GLU HB3 . 7302 1 1106 . 1 1 102 102 GLU HG2 H 1 1.921 0.02 . 2 . . . . 102 GLU HG2 . 7302 1 1107 . 1 1 102 102 GLU HG3 H 1 2.108 0.02 . 2 . . . . 102 GLU HG3 . 7302 1 1108 . 1 1 102 102 GLU C C 13 177.325 0.10 . 1 . . . . 102 GLU CO . 7302 1 1109 . 1 1 102 102 GLU CA C 13 60.783 0.10 . 1 . . . . 102 GLU CA . 7302 1 1110 . 1 1 102 102 GLU CB C 13 31.179 0.10 . 1 . . . . 102 GLU CB . 7302 1 1111 . 1 1 102 102 GLU CG C 13 38.166 0.10 . 1 . . . . 102 GLU CG . 7302 1 1112 . 1 1 102 102 GLU N N 15 121.596 0.10 . 1 . . . . 102 GLU N . 7302 1 1113 . 1 1 103 103 ARG H H 1 7.905 0.02 . 1 . . . . 103 ARG HN . 7302 1 1114 . 1 1 103 103 ARG HA H 1 4.004 0.02 . 1 . . . . 103 ARG HA . 7302 1 1115 . 1 1 103 103 ARG HB2 H 1 1.795 0.02 . 2 . . . . 103 ARG HB2 . 7302 1 1116 . 1 1 103 103 ARG HB3 H 1 1.875 0.02 . 2 . . . . 103 ARG HB3 . 7302 1 1117 . 1 1 103 103 ARG HG2 H 1 1.793 0.02 . 2 . . . . 103 ARG HG2 . 7302 1 1118 . 1 1 103 103 ARG HG3 H 1 1.577 0.02 . 2 . . . . 103 ARG HG3 . 7302 1 1119 . 1 1 103 103 ARG HD2 H 1 3.127 0.02 . 2 . . . . 103 ARG HD2 . 7302 1 1120 . 1 1 103 103 ARG HD3 H 1 3.228 0.02 . 2 . . . . 103 ARG HD3 . 7302 1 1121 . 1 1 103 103 ARG C C 13 178.848 0.10 . 1 . . . . 103 ARG CO . 7302 1 1122 . 1 1 103 103 ARG CA C 13 59.250 0.10 . 1 . . . . 103 ARG CA . 7302 1 1123 . 1 1 103 103 ARG CB C 13 30.302 0.10 . 1 . . . . 103 ARG CB . 7302 1 1124 . 1 1 103 103 ARG CG C 13 27.696 0.10 . 1 . . . . 103 ARG CG . 7302 1 1125 . 1 1 103 103 ARG CD C 13 43.339 0.10 . 1 . . . . 103 ARG CD . 7302 1 1126 . 1 1 103 103 ARG N N 15 118.017 0.10 . 1 . . . . 103 ARG N . 7302 1 1127 . 1 1 104 104 TYR H H 1 7.783 0.02 . 1 . . . . 104 TYR HN . 7302 1 1128 . 1 1 104 104 TYR HA H 1 4.164 0.02 . 1 . . . . 104 TYR HA . 7302 1 1129 . 1 1 104 104 TYR HB2 H 1 3.024 0.02 . 2 . . . . 104 TYR HB2 . 7302 1 1130 . 1 1 104 104 TYR HD1 H 1 6.900 0.02 . 1 . . . . 104 TYR HD1 . 7302 1 1131 . 1 1 104 104 TYR HD2 H 1 6.900 0.02 . 1 . . . . 104 TYR HD2 . 7302 1 1132 . 1 1 104 104 TYR HE1 H 1 6.475 0.02 . 1 . . . . 104 TYR HE1 . 7302 1 1133 . 1 1 104 104 TYR HE2 H 1 6.475 0.02 . 1 . . . . 104 TYR HE2 . 7302 1 1134 . 1 1 104 104 TYR C C 13 176.528 0.10 . 1 . . . . 104 TYR CO . 7302 1 1135 . 1 1 104 104 TYR CA C 13 60.713 0.10 . 1 . . . . 104 TYR CA . 7302 1 1136 . 1 1 104 104 TYR CB C 13 38.508 0.10 . 1 . . . . 104 TYR CB . 7302 1 1137 . 1 1 104 104 TYR CD1 C 13 132.080 0.10 . 1 . . . . 104 TYR CD1 . 7302 1 1138 . 1 1 104 104 TYR CD2 C 13 132.080 0.10 . 1 . . . . 104 TYR CD2 . 7302 1 1139 . 1 1 104 104 TYR CE1 C 13 117.925 0.10 . 1 . . . . 104 TYR CE1 . 7302 1 1140 . 1 1 104 104 TYR CE2 C 13 117.925 0.10 . 1 . . . . 104 TYR CE2 . 7302 1 1141 . 1 1 104 104 TYR N N 15 119.483 0.10 . 1 . . . . 104 TYR N . 7302 1 1142 . 1 1 105 105 LEU H H 1 8.489 0.02 . 1 . . . . 105 LEU HN . 7302 1 1143 . 1 1 105 105 LEU HA H 1 3.725 0.02 . 1 . . . . 105 LEU HA . 7302 1 1144 . 1 1 105 105 LEU HB2 H 1 1.820 0.02 . 2 . . . . 105 LEU HB2 . 7302 1 1145 . 1 1 105 105 LEU HB3 H 1 1.600 0.02 . 2 . . . . 105 LEU HB3 . 7302 1 1146 . 1 1 105 105 LEU HG H 1 1.675 0.02 . 1 . . . . 105 LEU HG . 7302 1 1147 . 1 1 105 105 LEU HD11 H 1 0.730 0.02 . 2 . . . . 105 LEU HD1# . 7302 1 1148 . 1 1 105 105 LEU HD12 H 1 0.730 0.02 . 2 . . . . 105 LEU HD1# . 7302 1 1149 . 1 1 105 105 LEU HD13 H 1 0.730 0.02 . 2 . . . . 105 LEU HD1# . 7302 1 1150 . 1 1 105 105 LEU HD21 H 1 0.877 0.02 . 2 . . . . 105 LEU HD2# . 7302 1 1151 . 1 1 105 105 LEU HD22 H 1 0.877 0.02 . 2 . . . . 105 LEU HD2# . 7302 1 1152 . 1 1 105 105 LEU HD23 H 1 0.877 0.02 . 2 . . . . 105 LEU HD2# . 7302 1 1153 . 1 1 105 105 LEU C C 13 178.593 0.10 . 1 . . . . 105 LEU CO . 7302 1 1154 . 1 1 105 105 LEU CA C 13 56.993 0.10 . 1 . . . . 105 LEU CA . 7302 1 1155 . 1 1 105 105 LEU CB C 13 42.552 0.10 . 1 . . . . 105 LEU CB . 7302 1 1156 . 1 1 105 105 LEU CG C 13 26.564 0.10 . 1 . . . . 105 LEU CG . 7302 1 1157 . 1 1 105 105 LEU CD1 C 13 22.785 0.10 . 2 . . . . 105 LEU CD1 . 7302 1 1158 . 1 1 105 105 LEU CD2 C 13 26.381 0.10 . 2 . . . . 105 LEU CD2 . 7302 1 1159 . 1 1 105 105 LEU N N 15 118.632 0.10 . 1 . . . . 105 LEU N . 7302 1 1160 . 1 1 106 106 GLN H H 1 8.367 0.02 . 1 . . . . 106 GLN HN . 7302 1 1161 . 1 1 106 106 GLN HA H 1 3.721 0.02 . 1 . . . . 106 GLN HA . 7302 1 1162 . 1 1 106 106 GLN HB2 H 1 2.138 0.02 . 2 . . . . 106 GLN HB2 . 7302 1 1163 . 1 1 106 106 GLN HB3 H 1 1.815 0.02 . 2 . . . . 106 GLN HB3 . 7302 1 1164 . 1 1 106 106 GLN HG2 H 1 2.423 0.02 . 2 . . . . 106 GLN HG2 . 7302 1 1165 . 1 1 106 106 GLN HE21 H 1 7.262 0.02 . 1 . . . . 106 GLN HE21 . 7302 1 1166 . 1 1 106 106 GLN HE22 H 1 6.848 0.02 . 1 . . . . 106 GLN HE22 . 7302 1 1167 . 1 1 106 106 GLN C C 13 177.549 0.10 . 1 . . . . 106 GLN CO . 7302 1 1168 . 1 1 106 106 GLN CA C 13 58.657 0.10 . 1 . . . . 106 GLN CA . 7302 1 1169 . 1 1 106 106 GLN CB C 13 27.805 0.10 . 1 . . . . 106 GLN CB . 7302 1 1170 . 1 1 106 106 GLN CG C 13 34.234 0.10 . 1 . . . . 106 GLN CG . 7302 1 1171 . 1 1 106 106 GLN N N 15 116.870 0.10 . 1 . . . . 106 GLN N . 7302 1 1172 . 1 1 106 106 GLN NE2 N 15 111.653 0.10 . 1 . . . . 106 GLN NE2 . 7302 1 1173 . 1 1 107 107 ARG H H 1 7.546 0.02 . 1 . . . . 107 ARG HN . 7302 1 1174 . 1 1 107 107 ARG HA H 1 3.943 0.02 . 1 . . . . 107 ARG HA . 7302 1 1175 . 1 1 107 107 ARG HB2 H 1 1.846 0.02 . 2 . . . . 107 ARG HB2 . 7302 1 1176 . 1 1 107 107 ARG HG2 H 1 1.531 0.02 . 2 . . . . 107 ARG HG2 . 7302 1 1177 . 1 1 107 107 ARG HD2 H 1 3.131 0.02 . 2 . . . . 107 ARG HD2 . 7302 1 1178 . 1 1 107 107 ARG C C 13 178.799 0.10 . 1 . . . . 107 ARG CO . 7302 1 1179 . 1 1 107 107 ARG CA C 13 58.857 0.10 . 1 . . . . 107 ARG CA . 7302 1 1180 . 1 1 107 107 ARG CB C 13 29.930 0.10 . 1 . . . . 107 ARG CB . 7302 1 1181 . 1 1 107 107 ARG CG C 13 27.344 0.10 . 1 . . . . 107 ARG CG . 7302 1 1182 . 1 1 107 107 ARG CD C 13 43.293 0.10 . 1 . . . . 107 ARG CD . 7302 1 1183 . 1 1 107 107 ARG N N 15 117.228 0.10 . 1 . . . . 107 ARG N . 7302 1 1184 . 1 1 108 108 ILE H H 1 7.344 0.02 . 1 . . . . 108 ILE HN . 7302 1 1185 . 1 1 108 108 ILE HA H 1 3.556 0.02 . 1 . . . . 108 ILE HA . 7302 1 1186 . 1 1 108 108 ILE HB H 1 1.803 0.02 . 1 . . . . 108 ILE HB . 7302 1 1187 . 1 1 108 108 ILE HG12 H 1 0.655 0.02 . 2 . . . . 108 ILE HG12 . 7302 1 1188 . 1 1 108 108 ILE HG13 H 1 1.153 0.02 . 2 . . . . 108 ILE HG13 . 7302 1 1189 . 1 1 108 108 ILE HG21 H 1 0.530 0.02 . 1 . . . . 108 ILE HG2 . 7302 1 1190 . 1 1 108 108 ILE HG22 H 1 0.530 0.02 . 1 . . . . 108 ILE HG2 . 7302 1 1191 . 1 1 108 108 ILE HG23 H 1 0.530 0.02 . 1 . . . . 108 ILE HG2 . 7302 1 1192 . 1 1 108 108 ILE HD11 H 1 0.305 0.02 . 1 . . . . 108 ILE HD1 . 7302 1 1193 . 1 1 108 108 ILE HD12 H 1 0.305 0.02 . 1 . . . . 108 ILE HD1 . 7302 1 1194 . 1 1 108 108 ILE HD13 H 1 0.305 0.02 . 1 . . . . 108 ILE HD1 . 7302 1 1195 . 1 1 108 108 ILE C C 13 177.287 0.10 . 1 . . . . 108 ILE CO . 7302 1 1196 . 1 1 108 108 ILE CA C 13 64.826 0.10 . 1 . . . . 108 ILE CA . 7302 1 1197 . 1 1 108 108 ILE CB C 13 37.444 0.10 . 1 . . . . 108 ILE CB . 7302 1 1198 . 1 1 108 108 ILE CG1 C 13 28.172 0.10 . 1 . . . . 108 ILE CG1 . 7302 1 1199 . 1 1 108 108 ILE CG2 C 13 16.737 0.10 . 1 . . . . 108 ILE CG2 . 7302 1 1200 . 1 1 108 108 ILE CD1 C 13 11.524 0.10 . 1 . . . . 108 ILE CD1 . 7302 1 1201 . 1 1 108 108 ILE N N 15 117.783 0.10 . 1 . . . . 108 ILE N . 7302 1 1202 . 1 1 109 109 VAL H H 1 7.887 0.02 . 1 . . . . 109 VAL HN . 7302 1 1203 . 1 1 109 109 VAL HA H 1 3.739 0.02 . 1 . . . . 109 VAL HA . 7302 1 1204 . 1 1 109 109 VAL HB H 1 2.235 0.02 . 1 . . . . 109 VAL HB . 7302 1 1205 . 1 1 109 109 VAL HG11 H 1 0.778 0.02 . 2 . . . . 109 VAL HG1# . 7302 1 1206 . 1 1 109 109 VAL HG12 H 1 0.778 0.02 . 2 . . . . 109 VAL HG1# . 7302 1 1207 . 1 1 109 109 VAL HG13 H 1 0.778 0.02 . 2 . . . . 109 VAL HG1# . 7302 1 1208 . 1 1 109 109 VAL HG21 H 1 0.833 0.02 . 2 . . . . 109 VAL HG2# . 7302 1 1209 . 1 1 109 109 VAL HG22 H 1 0.833 0.02 . 2 . . . . 109 VAL HG2# . 7302 1 1210 . 1 1 109 109 VAL HG23 H 1 0.833 0.02 . 2 . . . . 109 VAL HG2# . 7302 1 1211 . 1 1 109 109 VAL C C 13 175.258 0.10 . 1 . . . . 109 VAL CO . 7302 1 1212 . 1 1 109 109 VAL CA C 13 64.129 0.10 . 1 . . . . 109 VAL CA . 7302 1 1213 . 1 1 109 109 VAL CB C 13 30.951 0.10 . 1 . . . . 109 VAL CB . 7302 1 1214 . 1 1 109 109 VAL CG1 C 13 21.327 0.10 . 2 . . . . 109 VAL CG1 . 7302 1 1215 . 1 1 109 109 VAL CG2 C 13 19.366 0.10 . 2 . . . . 109 VAL CG2 . 7302 1 1216 . 1 1 109 109 VAL N N 15 108.740 0.10 . 1 . . . . 109 VAL N . 7302 1 1217 . 1 1 110 110 ASN H H 1 7.293 0.02 . 1 . . . . 110 ASN HN . 7302 1 1218 . 1 1 110 110 ASN HA H 1 4.622 0.02 . 1 . . . . 110 ASN HA . 7302 1 1219 . 1 1 110 110 ASN HB2 H 1 2.621 0.02 . 2 . . . . 110 ASN HB2 . 7302 1 1220 . 1 1 110 110 ASN HB3 H 1 2.719 0.02 . 2 . . . . 110 ASN HB3 . 7302 1 1221 . 1 1 110 110 ASN HD21 H 1 7.409 0.02 . 1 . . . . 110 ASN HD21 . 7302 1 1222 . 1 1 110 110 ASN HD22 H 1 6.529 0.02 . 1 . . . . 110 ASN HD22 . 7302 1 1223 . 1 1 110 110 ASN C C 13 175.164 0.10 . 1 . . . . 110 ASN CO . 7302 1 1224 . 1 1 110 110 ASN CA C 13 53.121 0.10 . 1 . . . . 110 ASN CA . 7302 1 1225 . 1 1 110 110 ASN CB C 13 38.993 0.10 . 1 . . . . 110 ASN CB . 7302 1 1226 . 1 1 110 110 ASN N N 15 115.468 0.10 . 1 . . . . 110 ASN N . 7302 1 1227 . 1 1 110 110 ASN ND2 N 15 110.722 0.10 . 1 . . . . 110 ASN ND2 . 7302 1 1228 . 1 1 111 111 HIS H H 1 7.637 0.02 . 1 . . . . 111 HIS HN . 7302 1 1229 . 1 1 111 111 HIS HA H 1 4.626 0.02 . 1 . . . . 111 HIS HA . 7302 1 1230 . 1 1 111 111 HIS HB2 H 1 2.995 0.02 . 2 . . . . 111 HIS HB2 . 7302 1 1231 . 1 1 111 111 HIS HB3 H 1 2.922 0.02 . 2 . . . . 111 HIS HB3 . 7302 1 1232 . 1 1 111 111 HIS C C 13 174.699 0.10 . 1 . . . . 111 HIS CO . 7302 1 1233 . 1 1 111 111 HIS CA C 13 54.886 0.10 . 1 . . . . 111 HIS CA . 7302 1 1234 . 1 1 111 111 HIS CB C 13 31.434 0.10 . 1 . . . . 111 HIS CB . 7302 1 1235 . 1 1 111 111 HIS N N 15 123.486 0.10 . 1 . . . . 111 HIS N . 7302 1 1236 . 1 1 112 112 PRO HA H 1 4.107 0.02 . 1 . . . . 112 PRO HA . 7302 1 1237 . 1 1 112 112 PRO HB2 H 1 2.209 0.02 . 2 . . . . 112 PRO HB2 . 7302 1 1238 . 1 1 112 112 PRO HG2 H 1 1.795 0.02 . 2 . . . . 112 PRO HG2 . 7302 1 1239 . 1 1 112 112 PRO HD2 H 1 3.649 0.02 . 2 . . . . 112 PRO HD2 . 7302 1 1240 . 1 1 112 112 PRO C C 13 176.850 0.10 . 1 . . . . 112 PRO CO . 7302 1 1241 . 1 1 112 112 PRO CA C 13 65.230 0.10 . 1 . . . . 112 PRO CA . 7302 1 1242 . 1 1 112 112 PRO CB C 13 31.676 0.10 . 1 . . . . 112 PRO CB . 7302 1 1243 . 1 1 112 112 PRO CG C 13 27.244 0.10 . 1 . . . . 112 PRO CG . 7302 1 1244 . 1 1 112 112 PRO CD C 13 50.014 0.10 . 1 . . . . 112 PRO CD . 7302 1 1245 . 1 1 113 113 THR H H 1 7.876 0.02 . 1 . . . . 113 THR HN . 7302 1 1246 . 1 1 113 113 THR HA H 1 4.082 0.02 . 1 . . . . 113 THR HA . 7302 1 1247 . 1 1 113 113 THR HB H 1 4.103 0.02 . 1 . . . . 113 THR HB . 7302 1 1248 . 1 1 113 113 THR HG21 H 1 1.121 0.02 . 1 . . . . 113 THR HG2 . 7302 1 1249 . 1 1 113 113 THR HG22 H 1 1.121 0.02 . 1 . . . . 113 THR HG2 . 7302 1 1250 . 1 1 113 113 THR HG23 H 1 1.121 0.02 . 1 . . . . 113 THR HG2 . 7302 1 1251 . 1 1 113 113 THR C C 13 175.817 0.10 . 1 . . . . 113 THR CO . 7302 1 1252 . 1 1 113 113 THR CA C 13 59.724 0.10 . 1 . . . . 113 THR CA . 7302 1 1253 . 1 1 113 113 THR CB C 13 68.934 0.10 . 1 . . . . 113 THR CB . 7302 1 1254 . 1 1 113 113 THR CG2 C 13 22.404 0.10 . 1 . . . . 113 THR CG2 . 7302 1 1255 . 1 1 113 113 THR N N 15 120.752 0.10 . 1 . . . . 113 THR N . 7302 1 1256 . 1 1 114 114 MET H H 1 8.082 0.02 . 1 . . . . 114 MET HN . 7302 1 1257 . 1 1 114 114 MET HA H 1 4.223 0.02 . 1 . . . . 114 MET HA . 7302 1 1258 . 1 1 114 114 MET HB2 H 1 2.009 0.02 . 2 . . . . 114 MET HB2 . 7302 1 1259 . 1 1 114 114 MET HG2 H 1 2.526 0.02 . 2 . . . . 114 MET HG2 . 7302 1 1260 . 1 1 114 114 MET HE1 H 1 1.585 0.02 . 1 . . . . 114 MET HE . 7302 1 1261 . 1 1 114 114 MET HE2 H 1 1.585 0.02 . 1 . . . . 114 MET HE . 7302 1 1262 . 1 1 114 114 MET HE3 H 1 1.585 0.02 . 1 . . . . 114 MET HE . 7302 1 1263 . 1 1 114 114 MET C C 13 176.567 0.10 . 1 . . . . 114 MET CO . 7302 1 1264 . 1 1 114 114 MET CA C 13 56.698 0.10 . 1 . . . . 114 MET CA . 7302 1 1265 . 1 1 114 114 MET CB C 13 30.237 0.10 . 1 . . . . 114 MET CB . 7302 1 1266 . 1 1 114 114 MET CG C 13 31.615 0.10 . 1 . . . . 114 MET CG . 7302 1 1267 . 1 1 114 114 MET CE C 13 18.437 0.10 . 1 . . . . 114 MET CE . 7302 1 1268 . 1 1 114 114 MET N N 15 119.943 0.10 . 1 . . . . 114 MET N . 7302 1 1269 . 1 1 115 115 LEU H H 1 8.171 0.02 . 1 . . . . 115 LEU HN . 7302 1 1270 . 1 1 115 115 LEU HA H 1 3.957 0.02 . 1 . . . . 115 LEU HA . 7302 1 1271 . 1 1 115 115 LEU HB2 H 1 1.461 0.02 . 2 . . . . 115 LEU HB2 . 7302 1 1272 . 1 1 115 115 LEU HB3 H 1 1.724 0.02 . 2 . . . . 115 LEU HB3 . 7302 1 1273 . 1 1 115 115 LEU HG H 1 1.638 0.02 . 1 . . . . 115 LEU HG . 7302 1 1274 . 1 1 115 115 LEU HD11 H 1 0.811 0.02 . 2 . . . . 115 LEU HD1# . 7302 1 1275 . 1 1 115 115 LEU HD12 H 1 0.811 0.02 . 2 . . . . 115 LEU HD1# . 7302 1 1276 . 1 1 115 115 LEU HD13 H 1 0.811 0.02 . 2 . . . . 115 LEU HD1# . 7302 1 1277 . 1 1 115 115 LEU HD21 H 1 0.884 0.02 . 2 . . . . 115 LEU HD2# . 7302 1 1278 . 1 1 115 115 LEU HD22 H 1 0.884 0.02 . 2 . . . . 115 LEU HD2# . 7302 1 1279 . 1 1 115 115 LEU HD23 H 1 0.884 0.02 . 2 . . . . 115 LEU HD2# . 7302 1 1280 . 1 1 115 115 LEU C C 13 176.483 0.10 . 1 . . . . 115 LEU CO . 7302 1 1281 . 1 1 115 115 LEU CA C 13 56.904 0.10 . 1 . . . . 115 LEU CA . 7302 1 1282 . 1 1 115 115 LEU CB C 13 41.008 0.10 . 1 . . . . 115 LEU CB . 7302 1 1283 . 1 1 115 115 LEU CG C 13 26.778 0.10 . 1 . . . . 115 LEU CG . 7302 1 1284 . 1 1 115 115 LEU CD1 C 13 24.551 0.10 . 2 . . . . 115 LEU CD1 . 7302 1 1285 . 1 1 115 115 LEU CD2 C 13 25.009 0.10 . 2 . . . . 115 LEU CD2 . 7302 1 1286 . 1 1 115 115 LEU N N 15 120.910 0.10 . 1 . . . . 115 LEU N . 7302 1 1287 . 1 1 116 116 GLN H H 1 7.087 0.02 . 1 . . . . 116 GLN HN . 7302 1 1288 . 1 1 116 116 GLN HA H 1 4.066 0.02 . 1 . . . . 116 GLN HA . 7302 1 1289 . 1 1 116 116 GLN HB2 H 1 2.162 0.02 . 2 . . . . 116 GLN HB2 . 7302 1 1290 . 1 1 116 116 GLN HB3 H 1 1.865 0.02 . 2 . . . . 116 GLN HB3 . 7302 1 1291 . 1 1 116 116 GLN HG2 H 1 2.247 0.02 . 2 . . . . 116 GLN HG2 . 7302 1 1292 . 1 1 116 116 GLN C C 13 175.838 0.10 . 1 . . . . 116 GLN CO . 7302 1 1293 . 1 1 116 116 GLN CA C 13 55.056 0.10 . 1 . . . . 116 GLN CA . 7302 1 1294 . 1 1 116 116 GLN CB C 13 28.856 0.10 . 1 . . . . 116 GLN CB . 7302 1 1295 . 1 1 116 116 GLN CG C 13 33.837 0.10 . 1 . . . . 116 GLN CG . 7302 1 1296 . 1 1 116 116 GLN N N 15 110.990 0.10 . 1 . . . . 116 GLN N . 7302 1 1297 . 1 1 117 117 ASP H H 1 7.587 0.02 . 1 . . . . 117 ASP HN . 7302 1 1298 . 1 1 117 117 ASP HA H 1 4.739 0.02 . 1 . . . . 117 ASP HA . 7302 1 1299 . 1 1 117 117 ASP HB2 H 1 3.031 0.02 . 2 . . . . 117 ASP HB2 . 7302 1 1300 . 1 1 117 117 ASP HB3 H 1 2.530 0.02 . 2 . . . . 117 ASP HB3 . 7302 1 1301 . 1 1 117 117 ASP C C 13 175.294 0.10 . 1 . . . . 117 ASP CO . 7302 1 1302 . 1 1 117 117 ASP CA C 13 52.228 0.10 . 1 . . . . 117 ASP CA . 7302 1 1303 . 1 1 117 117 ASP CB C 13 43.354 0.10 . 1 . . . . 117 ASP CB . 7302 1 1304 . 1 1 117 117 ASP N N 15 124.480 0.10 . 1 . . . . 117 ASP N . 7302 1 1305 . 1 1 118 118 PRO HA H 1 4.073 0.02 . 1 . . . . 118 PRO HA . 7302 1 1306 . 1 1 118 118 PRO HB2 H 1 2.200 0.02 . 2 . . . . 118 PRO HB2 . 7302 1 1307 . 1 1 118 118 PRO HG2 H 1 1.879 0.02 . 2 . . . . 118 PRO HG2 . 7302 1 1308 . 1 1 118 118 PRO HG3 H 1 1.941 0.02 . 2 . . . . 118 PRO HG3 . 7302 1 1309 . 1 1 118 118 PRO HD2 H 1 3.532 0.02 . 2 . . . . 118 PRO HD2 . 7302 1 1310 . 1 1 118 118 PRO C C 13 178.815 0.10 . 1 . . . . 118 PRO CO . 7302 1 1311 . 1 1 118 118 PRO CB C 13 32.049 0.10 . 1 . . . . 118 PRO CB . 7302 1 1312 . 1 1 118 118 PRO CG C 13 27.126 0.10 . 1 . . . . 118 PRO CG . 7302 1 1313 . 1 1 118 118 PRO CD C 13 50.910 0.10 . 1 . . . . 118 PRO CD . 7302 1 1314 . 1 1 119 119 ASP H H 1 8.827 0.02 . 1 . . . . 119 ASP HN . 7302 1 1315 . 1 1 119 119 ASP HA H 1 4.444 0.02 . 1 . . . . 119 ASP HA . 7302 1 1316 . 1 1 119 119 ASP HB2 H 1 2.647 0.02 . 2 . . . . 119 ASP HB2 . 7302 1 1317 . 1 1 119 119 ASP HB3 H 1 2.239 0.02 . 2 . . . . 119 ASP HB3 . 7302 1 1318 . 1 1 119 119 ASP C C 13 179.697 0.10 . 1 . . . . 119 ASP CO . 7302 1 1319 . 1 1 119 119 ASP CA C 13 57.931 0.10 . 1 . . . . 119 ASP CA . 7302 1 1320 . 1 1 119 119 ASP CB C 13 40.712 0.10 . 1 . . . . 119 ASP CB . 7302 1 1321 . 1 1 119 119 ASP N N 15 118.998 0.10 . 1 . . . . 119 ASP N . 7302 1 1322 . 1 1 120 120 VAL H H 1 7.928 0.02 . 1 . . . . 120 VAL HN . 7302 1 1323 . 1 1 120 120 VAL HA H 1 3.402 0.02 . 1 . . . . 120 VAL HA . 7302 1 1324 . 1 1 120 120 VAL HB H 1 2.462 0.02 . 1 . . . . 120 VAL HB . 7302 1 1325 . 1 1 120 120 VAL HG11 H 1 0.918 0.02 . 2 . . . . 120 VAL HG1 . 7302 1 1326 . 1 1 120 120 VAL HG12 H 1 0.918 0.02 . 2 . . . . 120 VAL HG1 . 7302 1 1327 . 1 1 120 120 VAL HG13 H 1 0.918 0.02 . 2 . . . . 120 VAL HG1 . 7302 1 1328 . 1 1 120 120 VAL HG21 H 1 0.695 0.02 . 2 . . . . 120 VAL HG2 . 7302 1 1329 . 1 1 120 120 VAL HG22 H 1 0.695 0.02 . 2 . . . . 120 VAL HG2 . 7302 1 1330 . 1 1 120 120 VAL HG23 H 1 0.695 0.02 . 2 . . . . 120 VAL HG2 . 7302 1 1331 . 1 1 120 120 VAL C C 13 177.077 0.10 . 1 . . . . 120 VAL CO . 7302 1 1332 . 1 1 120 120 VAL CA C 13 66.707 0.10 . 1 . . . . 120 VAL CA . 7302 1 1333 . 1 1 120 120 VAL CB C 13 31.192 0.10 . 1 . . . . 120 VAL CB . 7302 1 1334 . 1 1 120 120 VAL CG1 C 13 24.930 0.10 . 2 . . . . 120 VAL CG1 . 7302 1 1335 . 1 1 120 120 VAL CG2 C 13 20.950 0.10 . 2 . . . . 120 VAL CG2 . 7302 1 1336 . 1 1 120 120 VAL N N 15 123.529 0.10 . 1 . . . . 120 VAL N . 7302 1 1337 . 1 1 121 121 ARG H H 1 7.711 0.02 . 1 . . . . 121 ARG HN . 7302 1 1338 . 1 1 121 121 ARG HA H 1 3.893 0.02 . 1 . . . . 121 ARG HA . 7302 1 1339 . 1 1 121 121 ARG HB2 H 1 1.734 0.02 . 2 . . . . 121 ARG HB2 . 7302 1 1340 . 1 1 121 121 ARG HG2 H 1 1.540 0.02 . 2 . . . . 121 ARG HG2 . 7302 1 1341 . 1 1 121 121 ARG HG3 H 1 1.215 0.02 . 2 . . . . 121 ARG HG3 . 7302 1 1342 . 1 1 121 121 ARG HD2 H 1 2.650 0.02 . 2 . . . . 121 ARG HD2 . 7302 1 1343 . 1 1 121 121 ARG C C 13 178.149 0.10 . 1 . . . . 121 ARG CO . 7302 1 1344 . 1 1 121 121 ARG CA C 13 61.057 0.10 . 1 . . . . 121 ARG CA . 7302 1 1345 . 1 1 121 121 ARG CB C 13 29.103 0.10 . 1 . . . . 121 ARG CB . 7302 1 1346 . 1 1 121 121 ARG CG C 13 27.000 0.10 . 1 . . . . 121 ARG CG . 7302 1 1347 . 1 1 121 121 ARG CD C 13 43.131 0.10 . 1 . . . . 121 ARG CD . 7302 1 1348 . 1 1 121 121 ARG N N 15 117.337 0.10 . 1 . . . . 121 ARG N . 7302 1 1349 . 1 1 122 122 GLU H H 1 8.150 0.02 . 1 . . . . 122 GLU HN . 7302 1 1350 . 1 1 122 122 GLU HA H 1 4.004 0.02 . 1 . . . . 122 GLU HA . 7302 1 1351 . 1 1 122 122 GLU HB2 H 1 1.956 0.02 . 2 . . . . 122 GLU HB2 . 7302 1 1352 . 1 1 122 122 GLU HB3 H 1 2.085 0.02 . 2 . . . . 122 GLU HB3 . 7302 1 1353 . 1 1 122 122 GLU HG2 H 1 2.396 0.02 . 2 . . . . 122 GLU HG2 . 7302 1 1354 . 1 1 122 122 GLU HG3 H 1 2.136 0.02 . 2 . . . . 122 GLU HG3 . 7302 1 1355 . 1 1 122 122 GLU C C 13 178.607 0.10 . 1 . . . . 122 GLU CO . 7302 1 1356 . 1 1 122 122 GLU CA C 13 59.502 0.10 . 1 . . . . 122 GLU CA . 7302 1 1357 . 1 1 122 122 GLU CB C 13 29.964 0.10 . 1 . . . . 122 GLU CB . 7302 1 1358 . 1 1 122 122 GLU CG C 13 36.918 0.10 . 1 . . . . 122 GLU CG . 7302 1 1359 . 1 1 122 122 GLU N N 15 117.321 0.10 . 1 . . . . 122 GLU N . 7302 1 1360 . 1 1 123 123 PHE H H 1 7.849 0.02 . 1 . . . . 123 PHE HN . 7302 1 1361 . 1 1 123 123 PHE HA H 1 3.975 0.02 . 1 . . . . 123 PHE HA . 7302 1 1362 . 1 1 123 123 PHE HB2 H 1 3.114 0.02 . 2 . . . . 123 PHE HB2 . 7302 1 1363 . 1 1 123 123 PHE HB3 H 1 3.240 0.02 . 2 . . . . 123 PHE HB3 . 7302 1 1364 . 1 1 123 123 PHE HD1 H 1 6.907 0.02 . 1 . . . . 123 PHE HD1 . 7302 1 1365 . 1 1 123 123 PHE HD2 H 1 6.907 0.02 . 1 . . . . 123 PHE HD2 . 7302 1 1366 . 1 1 123 123 PHE C C 13 177.076 0.10 . 1 . . . . 123 PHE CO . 7302 1 1367 . 1 1 123 123 PHE CA C 13 62.093 0.10 . 1 . . . . 123 PHE CA . 7302 1 1368 . 1 1 123 123 PHE CB C 13 39.312 0.10 . 1 . . . . 123 PHE CB . 7302 1 1369 . 1 1 123 123 PHE CD1 C 13 132.167 0.10 . 1 . . . . 123 PHE CD1 . 7302 1 1370 . 1 1 123 123 PHE CD2 C 13 132.167 0.10 . 1 . . . . 123 PHE CD2 . 7302 1 1371 . 1 1 123 123 PHE N N 15 119.839 0.10 . 1 . . . . 123 PHE N . 7302 1 1372 . 1 1 124 124 LEU H H 1 7.724 0.02 . 1 . . . . 124 LEU HN . 7302 1 1373 . 1 1 124 124 LEU HA H 1 4.031 0.02 . 1 . . . . 124 LEU HA . 7302 1 1374 . 1 1 124 124 LEU HB2 H 1 1.610 0.02 . 2 . . . . 124 LEU HB2 . 7302 1 1375 . 1 1 124 124 LEU HB3 H 1 1.906 0.02 . 2 . . . . 124 LEU HB3 . 7302 1 1376 . 1 1 124 124 LEU HG H 1 2.068 0.02 . 1 . . . . 124 LEU HG . 7302 1 1377 . 1 1 124 124 LEU HD11 H 1 0.786 0.02 . 2 . . . . 124 LEU HD1# . 7302 1 1378 . 1 1 124 124 LEU HD12 H 1 0.786 0.02 . 2 . . . . 124 LEU HD1# . 7302 1 1379 . 1 1 124 124 LEU HD13 H 1 0.786 0.02 . 2 . . . . 124 LEU HD1# . 7302 1 1380 . 1 1 124 124 LEU HD21 H 1 0.786 0.02 . 2 . . . . 124 LEU HD2# . 7302 1 1381 . 1 1 124 124 LEU HD22 H 1 0.786 0.02 . 2 . . . . 124 LEU HD2# . 7302 1 1382 . 1 1 124 124 LEU HD23 H 1 0.786 0.02 . 2 . . . . 124 LEU HD2# . 7302 1 1383 . 1 1 124 124 LEU C C 13 176.690 0.10 . 1 . . . . 124 LEU CO . 7302 1 1384 . 1 1 124 124 LEU CA C 13 56.331 0.10 . 1 . . . . 124 LEU CA . 7302 1 1385 . 1 1 124 124 LEU CB C 13 42.138 0.10 . 1 . . . . 124 LEU CB . 7302 1 1386 . 1 1 124 124 LEU CG C 13 26.195 0.10 . 1 . . . . 124 LEU CG . 7302 1 1387 . 1 1 124 124 LEU CD1 C 13 25.842 0.10 . 2 . . . . 124 LEU CD1 . 7302 1 1388 . 1 1 124 124 LEU CD2 C 13 21.686 0.10 . 2 . . . . 124 LEU CD2 . 7302 1 1389 . 1 1 124 124 LEU N N 15 114.462 0.10 . 1 . . . . 124 LEU N . 7302 1 1390 . 1 1 125 125 GLU H H 1 7.918 0.02 . 1 . . . . 125 GLU HN . 7302 1 1391 . 1 1 125 125 GLU HA H 1 4.468 0.02 . 1 . . . . 125 GLU HA . 7302 1 1392 . 1 1 125 125 GLU HB2 H 1 1.634 0.02 . 2 . . . . 125 GLU HB2 . 7302 1 1393 . 1 1 125 125 GLU HG2 H 1 1.954 0.02 . 2 . . . . 125 GLU HG2 . 7302 1 1394 . 1 1 125 125 GLU HG3 H 1 1.654 0.02 . 2 . . . . 125 GLU HG3 . 7302 1 1395 . 1 1 125 125 GLU C C 13 177.452 0.10 . 1 . . . . 125 GLU CO . 7302 1 1396 . 1 1 125 125 GLU CA C 13 56.419 0.10 . 1 . . . . 125 GLU CA . 7302 1 1397 . 1 1 125 125 GLU CB C 13 33.959 0.10 . 1 . . . . 125 GLU CB . 7302 1 1398 . 1 1 125 125 GLU CG C 13 36.261 0.10 . 1 . . . . 125 GLU CG . 7302 1 1399 . 1 1 125 125 GLU N N 15 112.597 0.10 . 1 . . . . 125 GLU N . 7302 1 1400 . 1 1 126 126 LYS H H 1 8.276 0.02 . 1 . . . . 126 LYS HN . 7302 1 1401 . 1 1 126 126 LYS HA H 1 4.052 0.02 . 1 . . . . 126 LYS HA . 7302 1 1402 . 1 1 126 126 LYS HB2 H 1 1.737 0.02 . 2 . . . . 126 LYS HB2 . 7302 1 1403 . 1 1 126 126 LYS HG2 H 1 1.298 0.02 . 2 . . . . 126 LYS HG2 . 7302 1 1404 . 1 1 126 126 LYS HG3 H 1 1.211 0.02 . 2 . . . . 126 LYS HG3 . 7302 1 1405 . 1 1 126 126 LYS HD2 H 1 1.513 0.02 . 2 . . . . 126 LYS HD2 . 7302 1 1406 . 1 1 126 126 LYS HE2 H 1 2.831 0.02 . 2 . . . . 126 LYS HE2 . 7302 1 1407 . 1 1 126 126 LYS C C 13 176.511 0.10 . 1 . . . . 126 LYS CO . 7302 1 1408 . 1 1 126 126 LYS CA C 13 58.217 0.10 . 1 . . . . 126 LYS CA . 7302 1 1409 . 1 1 126 126 LYS CB C 13 33.291 0.10 . 1 . . . . 126 LYS CB . 7302 1 1410 . 1 1 126 126 LYS CG C 13 24.651 0.10 . 1 . . . . 126 LYS CG . 7302 1 1411 . 1 1 126 126 LYS CD C 13 29.035 0.10 . 1 . . . . 126 LYS CD . 7302 1 1412 . 1 1 126 126 LYS CE C 13 41.936 0.10 . 1 . . . . 126 LYS CE . 7302 1 1413 . 1 1 126 126 LYS N N 15 121.250 0.10 . 1 . . . . 126 LYS N . 7302 1 1414 . 1 1 127 127 GLU H H 1 8.751 0.02 . 1 . . . . 127 GLU HN . 7302 1 1415 . 1 1 127 127 GLU HA H 1 4.300 0.02 . 1 . . . . 127 GLU HA . 7302 1 1416 . 1 1 127 127 GLU HB2 H 1 1.935 0.02 . 2 . . . . 127 GLU HB2 . 7302 1 1417 . 1 1 127 127 GLU HB3 H 1 2.037 0.02 . 2 . . . . 127 GLU HB3 . 7302 1 1418 . 1 1 127 127 GLU HG2 H 1 2.226 0.02 . 2 . . . . 127 GLU HG2 . 7302 1 1419 . 1 1 127 127 GLU HG3 H 1 2.301 0.02 . 2 . . . . 127 GLU HG3 . 7302 1 1420 . 1 1 127 127 GLU C C 13 175.385 0.10 . 1 . . . . 127 GLU CO . 7302 1 1421 . 1 1 127 127 GLU CA C 13 57.091 0.10 . 1 . . . . 127 GLU CA . 7302 1 1422 . 1 1 127 127 GLU CB C 13 31.146 0.10 . 1 . . . . 127 GLU CB . 7302 1 1423 . 1 1 127 127 GLU CG C 13 36.636 0.10 . 1 . . . . 127 GLU CG . 7302 1 1424 . 1 1 127 127 GLU N N 15 128.949 0.10 . 1 . . . . 127 GLU N . 7302 1 1425 . 1 1 128 128 GLU H H 1 7.961 0.02 . 1 . . . . 128 GLU HN . 7302 1 1426 . 1 1 128 128 GLU HA H 1 4.033 0.02 . 1 . . . . 128 GLU HA . 7302 1 1427 . 1 1 128 128 GLU HB2 H 1 1.808 0.02 . 2 . . . . 128 GLU HB2 . 7302 1 1428 . 1 1 128 128 GLU HB3 H 1 1.933 0.02 . 2 . . . . 128 GLU HB3 . 7302 1 1429 . 1 1 128 128 GLU HG2 H 1 2.096 0.02 . 2 . . . . 128 GLU HG2 . 7302 1 1430 . 1 1 128 128 GLU C C 13 180.567 0.10 . 1 . . . . 128 GLU CO . 7302 1 1431 . 1 1 128 128 GLU CA C 13 57.948 0.10 . 1 . . . . 128 GLU CA . 7302 1 1432 . 1 1 128 128 GLU CB C 13 31.191 0.10 . 1 . . . . 128 GLU CB . 7302 1 1433 . 1 1 128 128 GLU CG C 13 36.321 0.10 . 1 . . . . 128 GLU CG . 7302 1 1434 . 1 1 128 128 GLU N N 15 126.190 0.10 . 1 . . . . 128 GLU N . 7302 1 stop_ save_