data_18458 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18458 _Entry.Title ; 1H, 13C, 15N Chemical shift assignment of HIRAN domain of human HLTF ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-11 _Entry.Accession_date 2012-05-11 _Entry.Last_release_date 2012-06-12 _Entry.Original_release_date 2012-06-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Irina Bezsonova . . . 18458 2 Dante Neculai . . . 18458 3 Cheryl Arrowsmith . H. . 18458 4 Sirano Dhe-Paganon . . . 18458 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18458 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 354 18458 '15N chemical shifts' 118 18458 '1H chemical shifts' 831 18458 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 . . 2012-06-12 2012-05-11 original author . 18458 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L1I 'Solution Structure of HIRAN domain of HLTF' 18458 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18458 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the HLTF HIRAN domain' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Dante Neculai . . . 18458 1 2 Irina Bezsonova . . . 18458 1 3 J. Weigelt . . . 18458 1 4 C. Bountra . . . 18458 1 5 A. Edwards . . . 18458 1 6 Cheryl Arrowsmith . . . 18458 1 7 Sirano Dhe-Paganon . . . 18458 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18458 _Assembly.ID 1 _Assembly.Name 'HIRAN domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HIRAN domain' 1 $HLTF-HIRAN A . yes native no no . . . 18458 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HLTF-HIRAN _Entity.Sf_category entity _Entity.Sf_framecode HLTF-HIRAN _Entity.Entry_ID 18458 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HLTF-HIRAN _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 ; GSDEEVDSVLFGSLRGHVVG LRYYTGVVNNNEMVALQRDP NNPYDKNAIKVNNVNGNQVG HLKKELAGALAYIMDNKLAQ IEGVVPFGANNAFTMPLHMT FWGKEENRKAVSDQLKKHGF KL ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 17085 . HLTF . . . . . 100.00 122 100.00 100.00 1.08e-82 . . . . 18458 1 2 no BMRB 25492 . entity . . . . . 100.00 122 100.00 100.00 1.08e-82 . . . . 18458 1 3 no PDB 2L1I . "Nmr Structure Of The Hltf Hiran Domain" . . . . . 100.00 122 100.00 100.00 1.08e-82 . . . . 18458 1 4 no PDB 2MZN . "Nmr Structure Of The Hltf Hiran Domain In Its Dna-bound Conformation" . . . . . 100.00 122 100.00 100.00 1.08e-82 . . . . 18458 1 5 no PDB 4S0N . "Crystal Structure Of Hltf Hiran Domain Bound To Dna" . . . . . 96.72 130 99.15 99.15 2.43e-78 . . . . 18458 1 6 no PDB 4XZF . "Crystal Structure Of Hiran Domain Of Human Hltf In Complex With Dna" . . . . . 94.26 122 100.00 100.00 7.50e-77 . . . . 18458 1 7 no PDB 4XZG . "Crystal Structure Of Hiran Domain Of Human Hltf" . . . . . 94.26 138 100.00 100.00 1.03e-76 . . . . 18458 1 8 no DBJ BAD92289 . "SWI/SNF-related matrix-associated actin-dependent regulator of chromatin a3 variant [Homo sapiens]" . . . . . 99.18 992 100.00 100.00 2.18e-77 . . . . 18458 1 9 no DBJ BAF83920 . "unnamed protein product [Homo sapiens]" . . . . . 99.18 1009 100.00 100.00 4.28e-77 . . . . 18458 1 10 no EMBL CAA86571 . "helicase-like transcription factor [Homo sapiens]" . . . . . 99.18 1009 100.00 100.00 4.28e-77 . . . . 18458 1 11 no EMBL CAD10805 . "SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily a, member 3 [Homo sapiens]" . . . . . 99.18 1009 100.00 100.00 4.28e-77 . . . . 18458 1 12 no GB AAA67436 . "ATPase [Homo sapiens]" . . . . . 99.18 1009 100.00 100.00 4.11e-77 . . . . 18458 1 13 no GB AAB27691 . "DNA-binding protein/plasminogen activator inhibitor-1 regulator, partial [Homo sapiens]" . . . . . 99.18 176 100.00 100.00 2.85e-81 . . . . 18458 1 14 no GB AAH05260 . "HLTF protein, partial [Homo sapiens]" . . . . . 99.18 395 100.00 100.00 4.01e-79 . . . . 18458 1 15 no GB AAH15498 . "HLTF protein, partial [Homo sapiens]" . . . . . 99.18 455 100.00 100.00 2.52e-79 . . . . 18458 1 16 no GB AAH30976 . "HLTF protein, partial [Homo sapiens]" . . . . . 99.18 460 100.00 100.00 3.63e-79 . . . . 18458 1 17 no REF NP_003062 . "helicase-like transcription factor [Homo sapiens]" . . . . . 99.18 1009 100.00 100.00 4.28e-77 . . . . 18458 1 18 no REF NP_620636 . "helicase-like transcription factor [Homo sapiens]" . . . . . 99.18 1009 100.00 100.00 4.28e-77 . . . . 18458 1 19 no REF XP_001138277 . "PREDICTED: helicase-like transcription factor isoform X3 [Pan troglodytes]" . . . . . 99.18 1009 100.00 100.00 3.47e-77 . . . . 18458 1 20 no REF XP_002814205 . "PREDICTED: helicase-like transcription factor isoform X3 [Pongo abelii]" . . . . . 99.18 1009 99.17 100.00 4.87e-77 . . . . 18458 1 21 no REF XP_003256297 . "PREDICTED: helicase-like transcription factor isoform X1 [Nomascus leucogenys]" . . . . . 99.18 1009 97.52 100.00 3.67e-76 . . . . 18458 1 22 no SP Q14527 . "RecName: Full=Helicase-like transcription factor; AltName: Full=DNA-binding protein/plasminogen activator inhibitor 1 regulator" . . . . . 99.18 1009 100.00 100.00 4.28e-77 . . . . 18458 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 18458 1 2 . SER . 18458 1 3 . ASP . 18458 1 4 . GLU . 18458 1 5 . GLU . 18458 1 6 . VAL . 18458 1 7 . ASP . 18458 1 8 . SER . 18458 1 9 . VAL . 18458 1 10 . LEU . 18458 1 11 . PHE . 18458 1 12 . GLY . 18458 1 13 . SER . 18458 1 14 . LEU . 18458 1 15 . ARG . 18458 1 16 . GLY . 18458 1 17 . HIS . 18458 1 18 . VAL . 18458 1 19 . VAL . 18458 1 20 . GLY . 18458 1 21 . LEU . 18458 1 22 . ARG . 18458 1 23 . TYR . 18458 1 24 . TYR . 18458 1 25 . THR . 18458 1 26 . GLY . 18458 1 27 . VAL . 18458 1 28 . VAL . 18458 1 29 . ASN . 18458 1 30 . ASN . 18458 1 31 . ASN . 18458 1 32 . GLU . 18458 1 33 . MET . 18458 1 34 . VAL . 18458 1 35 . ALA . 18458 1 36 . LEU . 18458 1 37 . GLN . 18458 1 38 . ARG . 18458 1 39 . ASP . 18458 1 40 . PRO . 18458 1 41 . ASN . 18458 1 42 . ASN . 18458 1 43 . PRO . 18458 1 44 . TYR . 18458 1 45 . ASP . 18458 1 46 . LYS . 18458 1 47 . ASN . 18458 1 48 . ALA . 18458 1 49 . ILE . 18458 1 50 . LYS . 18458 1 51 . VAL . 18458 1 52 . ASN . 18458 1 53 . ASN . 18458 1 54 . VAL . 18458 1 55 . ASN . 18458 1 56 . GLY . 18458 1 57 . ASN . 18458 1 58 . GLN . 18458 1 59 . VAL . 18458 1 60 . GLY . 18458 1 61 . HIS . 18458 1 62 . LEU . 18458 1 63 . LYS . 18458 1 64 . LYS . 18458 1 65 . GLU . 18458 1 66 . LEU . 18458 1 67 . ALA . 18458 1 68 . GLY . 18458 1 69 . ALA . 18458 1 70 . LEU . 18458 1 71 . ALA . 18458 1 72 . TYR . 18458 1 73 . ILE . 18458 1 74 . MET . 18458 1 75 . ASP . 18458 1 76 . ASN . 18458 1 77 . LYS . 18458 1 78 . LEU . 18458 1 79 . ALA . 18458 1 80 . GLN . 18458 1 81 . ILE . 18458 1 82 . GLU . 18458 1 83 . GLY . 18458 1 84 . VAL . 18458 1 85 . VAL . 18458 1 86 . PRO . 18458 1 87 . PHE . 18458 1 88 . GLY . 18458 1 89 . ALA . 18458 1 90 . ASN . 18458 1 91 . ASN . 18458 1 92 . ALA . 18458 1 93 . PHE . 18458 1 94 . THR . 18458 1 95 . MET . 18458 1 96 . PRO . 18458 1 97 . LEU . 18458 1 98 . HIS . 18458 1 99 . MET . 18458 1 100 . THR . 18458 1 101 . PHE . 18458 1 102 . TRP . 18458 1 103 . GLY . 18458 1 104 . LYS . 18458 1 105 . GLU . 18458 1 106 . GLU . 18458 1 107 . ASN . 18458 1 108 . ARG . 18458 1 109 . LYS . 18458 1 110 . ALA . 18458 1 111 . VAL . 18458 1 112 . SER . 18458 1 113 . ASP . 18458 1 114 . GLN . 18458 1 115 . LEU . 18458 1 116 . LYS . 18458 1 117 . LYS . 18458 1 118 . HIS . 18458 1 119 . GLY . 18458 1 120 . PHE . 18458 1 121 . LYS . 18458 1 122 . LEU . 18458 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18458 1 . SER 2 2 18458 1 . ASP 3 3 18458 1 . GLU 4 4 18458 1 . GLU 5 5 18458 1 . VAL 6 6 18458 1 . ASP 7 7 18458 1 . SER 8 8 18458 1 . VAL 9 9 18458 1 . LEU 10 10 18458 1 . PHE 11 11 18458 1 . GLY 12 12 18458 1 . SER 13 13 18458 1 . LEU 14 14 18458 1 . ARG 15 15 18458 1 . GLY 16 16 18458 1 . HIS 17 17 18458 1 . VAL 18 18 18458 1 . VAL 19 19 18458 1 . GLY 20 20 18458 1 . LEU 21 21 18458 1 . ARG 22 22 18458 1 . TYR 23 23 18458 1 . TYR 24 24 18458 1 . THR 25 25 18458 1 . GLY 26 26 18458 1 . VAL 27 27 18458 1 . VAL 28 28 18458 1 . ASN 29 29 18458 1 . ASN 30 30 18458 1 . ASN 31 31 18458 1 . GLU 32 32 18458 1 . MET 33 33 18458 1 . VAL 34 34 18458 1 . ALA 35 35 18458 1 . LEU 36 36 18458 1 . GLN 37 37 18458 1 . ARG 38 38 18458 1 . ASP 39 39 18458 1 . PRO 40 40 18458 1 . ASN 41 41 18458 1 . ASN 42 42 18458 1 . PRO 43 43 18458 1 . TYR 44 44 18458 1 . ASP 45 45 18458 1 . LYS 46 46 18458 1 . ASN 47 47 18458 1 . ALA 48 48 18458 1 . ILE 49 49 18458 1 . LYS 50 50 18458 1 . VAL 51 51 18458 1 . ASN 52 52 18458 1 . ASN 53 53 18458 1 . VAL 54 54 18458 1 . ASN 55 55 18458 1 . GLY 56 56 18458 1 . ASN 57 57 18458 1 . GLN 58 58 18458 1 . VAL 59 59 18458 1 . GLY 60 60 18458 1 . HIS 61 61 18458 1 . LEU 62 62 18458 1 . LYS 63 63 18458 1 . LYS 64 64 18458 1 . GLU 65 65 18458 1 . LEU 66 66 18458 1 . ALA 67 67 18458 1 . GLY 68 68 18458 1 . ALA 69 69 18458 1 . LEU 70 70 18458 1 . ALA 71 71 18458 1 . TYR 72 72 18458 1 . ILE 73 73 18458 1 . MET 74 74 18458 1 . ASP 75 75 18458 1 . ASN 76 76 18458 1 . LYS 77 77 18458 1 . LEU 78 78 18458 1 . ALA 79 79 18458 1 . GLN 80 80 18458 1 . ILE 81 81 18458 1 . GLU 82 82 18458 1 . GLY 83 83 18458 1 . VAL 84 84 18458 1 . VAL 85 85 18458 1 . PRO 86 86 18458 1 . PHE 87 87 18458 1 . GLY 88 88 18458 1 . ALA 89 89 18458 1 . ASN 90 90 18458 1 . ASN 91 91 18458 1 . ALA 92 92 18458 1 . PHE 93 93 18458 1 . THR 94 94 18458 1 . MET 95 95 18458 1 . PRO 96 96 18458 1 . LEU 97 97 18458 1 . HIS 98 98 18458 1 . MET 99 99 18458 1 . THR 100 100 18458 1 . PHE 101 101 18458 1 . TRP 102 102 18458 1 . GLY 103 103 18458 1 . LYS 104 104 18458 1 . GLU 105 105 18458 1 . GLU 106 106 18458 1 . ASN 107 107 18458 1 . ARG 108 108 18458 1 . LYS 109 109 18458 1 . ALA 110 110 18458 1 . VAL 111 111 18458 1 . SER 112 112 18458 1 . ASP 113 113 18458 1 . GLN 114 114 18458 1 . LEU 115 115 18458 1 . LYS 116 116 18458 1 . LYS 117 117 18458 1 . HIS 118 118 18458 1 . GLY 119 119 18458 1 . PHE 120 120 18458 1 . LYS 121 121 18458 1 . LEU 122 122 18458 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 18458 _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 $HLTF-HIRAN . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18458 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 18458 _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 $HLTF-HIRAN . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 18458 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18458 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HLTF-HIRAN '[U-100% 13C; U-100% 15N]' . . 1 $HLTF-HIRAN . . 1-1.6 . . mM . . . . 18458 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18458 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18458 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18458 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18458 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18458 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 18458 1 pH 6.8 . pH 18458 1 pressure 1 . atm 18458 1 temperature 298 . K 18458 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18458 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18458 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18458 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18458 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18458 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18458 2 stop_ save_ save_ABACUS _Software.Sf_category software _Software.Sf_framecode ABACUS _Software.Entry_ID 18458 _Software.ID 3 _Software.Name ABACUS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lemak, Steren et al.' . . 18458 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18458 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18458 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18458 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18458 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18458 1 2 spectrometer_2 Bruker Avance . 800 . . . 18458 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18458 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18458 1 2 '3D CC-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18458 1 3 '3D aro-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18458 1 4 '3D aro-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18458 1 5 '2D aro-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18458 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18458 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18458 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18458 1 9 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18458 1 10 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18458 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18458 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18458 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18458 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18458 _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 0.00 na indirect 0.251449530 . . . . . . . . . 18458 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18458 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18458 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18458 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18458 1 2 '3D CC-TOCSY' . . . 18458 1 4 '3D aro-TOCSY' . . . 18458 1 5 '2D aro-HSQC' . . . 18458 1 6 '2D 1H-13C HSQC' . . . 18458 1 7 '3D CBCA(CO)NH' . . . 18458 1 8 '3D HBHA(CO)NH' . . . 18458 1 9 '3D HNCA' . . . 18458 1 10 '3D HNCO' . . . 18458 1 13 '3D HCCH-TOCSY' . . . 18458 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 GLY HA2 H 1 3.94 0.01 . 2 . . . . 1 GLY HA2 . 18458 1 2 . 1 1 1 1 GLY HA3 H 1 3.93 0.01 . 2 . . . . 1 GLY HA3 . 18458 1 3 . 1 1 1 1 GLY C C 13 176.02 0.18 . 1 . . . . 1 GLY C . 18458 1 4 . 1 1 1 1 GLY CA C 13 45.71 0.12 . 1 . . . . 1 GLY CA . 18458 1 5 . 1 1 1 1 GLY N N 15 109.73 0 . 1 . . . . 1 GLY N . 18458 1 6 . 1 1 2 2 SER H H 1 7.95 0.16 . 1 . . . . 2 SER H . 18458 1 7 . 1 1 2 2 SER HA H 1 4.06 0.17 . 1 . . . . 2 SER HA . 18458 1 8 . 1 1 2 2 SER HB2 H 1 4.01 0.09 . 2 . . . . 2 SER HB2 . 18458 1 9 . 1 1 2 2 SER HB3 H 1 3.97 0.11 . 2 . . . . 2 SER HB3 . 18458 1 10 . 1 1 2 2 SER C C 13 174.79 0.38 . 1 . . . . 2 SER C . 18458 1 11 . 1 1 2 2 SER CA C 13 59.95 0.89 . 1 . . . . 2 SER CA . 18458 1 12 . 1 1 2 2 SER CB C 13 62.62 0.25 . 1 . . . . 2 SER CB . 18458 1 13 . 1 1 2 2 SER N N 15 116.4 1.39 . 1 . . . . 2 SER N . 18458 1 14 . 1 1 3 3 ASP H H 1 8.47 0.49 . 1 . . . . 3 ASP H . 18458 1 15 . 1 1 3 3 ASP HA H 1 4.37 0.05 . 1 . . . . 3 ASP HA . 18458 1 16 . 1 1 3 3 ASP HB2 H 1 2.78 0.08 . 2 . . . . 3 ASP HB2 . 18458 1 17 . 1 1 3 3 ASP HB3 H 1 2.77 0.1 . 2 . . . . 3 ASP HB3 . 18458 1 18 . 1 1 3 3 ASP C C 13 178.32 0.83 . 1 . . . . 3 ASP C . 18458 1 19 . 1 1 3 3 ASP CA C 13 56.72 0.51 . 1 . . . . 3 ASP CA . 18458 1 20 . 1 1 3 3 ASP CB C 13 40.48 0.7 . 1 . . . . 3 ASP CB . 18458 1 21 . 1 1 3 3 ASP N N 15 122.19 1.1 . 1 . . . . 3 ASP N . 18458 1 22 . 1 1 4 4 GLU H H 1 7.92 0.15 . 1 . . . . 4 GLU H . 18458 1 23 . 1 1 4 4 GLU HA H 1 4.03 0.11 . 1 . . . . 4 GLU HA . 18458 1 24 . 1 1 4 4 GLU HB2 H 1 2.1 0.09 . 2 . . . . 4 GLU HB2 . 18458 1 25 . 1 1 4 4 GLU HB3 H 1 2.03 0.11 . 2 . . . . 4 GLU HB3 . 18458 1 26 . 1 1 4 4 GLU HG2 H 1 2.37 0.07 . 2 . . . . 4 GLU HG2 . 18458 1 27 . 1 1 4 4 GLU HG3 H 1 2.36 0.1 . 2 . . . . 4 GLU HG3 . 18458 1 28 . 1 1 4 4 GLU C C 13 178.59 0.28 . 1 . . . . 4 GLU C . 18458 1 29 . 1 1 4 4 GLU CA C 13 59.01 0.44 . 1 . . . . 4 GLU CA . 18458 1 30 . 1 1 4 4 GLU CB C 13 29.65 0.27 . 1 . . . . 4 GLU CB . 18458 1 31 . 1 1 4 4 GLU N N 15 118.55 0.79 . 1 . . . . 4 GLU N . 18458 1 32 . 1 1 5 5 GLU H H 1 8.28 0.17 . 1 . . . . 5 GLU H . 18458 1 33 . 1 1 5 5 GLU HA H 1 4.21 0.19 . 1 . . . . 5 GLU HA . 18458 1 34 . 1 1 5 5 GLU HB2 H 1 2.15 0.04 . 2 . . . . 5 GLU HB2 . 18458 1 35 . 1 1 5 5 GLU HB3 H 1 2.16 0.06 . 2 . . . . 5 GLU HB3 . 18458 1 36 . 1 1 5 5 GLU HG2 H 1 2.46 0.09 . 2 . . . . 5 GLU HG2 . 18458 1 37 . 1 1 5 5 GLU HG3 H 1 2.23 0.09 . 2 . . . . 5 GLU HG3 . 18458 1 38 . 1 1 5 5 GLU C C 13 179.13 0.3 . 1 . . . . 5 GLU C . 18458 1 39 . 1 1 5 5 GLU CA C 13 58.51 0.55 . 1 . . . . 5 GLU CA . 18458 1 40 . 1 1 5 5 GLU CB C 13 29.93 0.22 . 1 . . . . 5 GLU CB . 18458 1 41 . 1 1 5 5 GLU N N 15 118.58 1.13 . 1 . . . . 5 GLU N . 18458 1 42 . 1 1 6 6 VAL H H 1 7.69 0.17 . 1 . . . . 6 VAL H . 18458 1 43 . 1 1 6 6 VAL HA H 1 3.7 0.13 . 1 . . . . 6 VAL HA . 18458 1 44 . 1 1 6 6 VAL HB H 1 2.12 0.05 . 1 . . . . 6 VAL HB . 18458 1 45 . 1 1 6 6 VAL HG11 H 1 0.86 0.08 . 2 . . . . 6 VAL MG1 . 18458 1 46 . 1 1 6 6 VAL HG12 H 1 0.86 0.08 . 2 . . . . 6 VAL MG1 . 18458 1 47 . 1 1 6 6 VAL HG13 H 1 0.86 0.08 . 2 . . . . 6 VAL MG1 . 18458 1 48 . 1 1 6 6 VAL HG21 H 1 0.96 0.04 . 2 . . . . 6 VAL MG2 . 18458 1 49 . 1 1 6 6 VAL HG22 H 1 0.96 0.04 . 2 . . . . 6 VAL MG2 . 18458 1 50 . 1 1 6 6 VAL HG23 H 1 0.96 0.04 . 2 . . . . 6 VAL MG2 . 18458 1 51 . 1 1 6 6 VAL C C 13 177.48 0.23 . 1 . . . . 6 VAL C . 18458 1 52 . 1 1 6 6 VAL CA C 13 64.11 0.28 . 1 . . . . 6 VAL CA . 18458 1 53 . 1 1 6 6 VAL CB C 13 31.48 0.17 . 1 . . . . 6 VAL CB . 18458 1 54 . 1 1 6 6 VAL N N 15 119.92 0.4 . 1 . . . . 6 VAL N . 18458 1 55 . 1 1 7 7 ASP H H 1 7.76 0.25 . 1 . . . . 7 ASP H . 18458 1 56 . 1 1 7 7 ASP HA H 1 4.51 0.09 . 1 . . . . 7 ASP HA . 18458 1 57 . 1 1 7 7 ASP HB2 H 1 2.83 0.11 . 2 . . . . 7 ASP HB2 . 18458 1 58 . 1 1 7 7 ASP HB3 H 1 2.82 0.07 . 2 . . . . 7 ASP HB3 . 18458 1 59 . 1 1 7 7 ASP C C 13 177.14 0.34 . 1 . . . . 7 ASP C . 18458 1 60 . 1 1 7 7 ASP CA C 13 55.79 0.37 . 1 . . . . 7 ASP CA . 18458 1 61 . 1 1 7 7 ASP CB C 13 41.23 0.23 . 1 . . . . 7 ASP CB . 18458 1 62 . 1 1 7 7 ASP N N 15 117.35 0.94 . 1 . . . . 7 ASP N . 18458 1 63 . 1 1 8 8 SER H H 1 7.44 0.13 . 1 . . . . 8 SER H . 18458 1 64 . 1 1 8 8 SER HA H 1 4.35 0.14 . 1 . . . . 8 SER HA . 18458 1 65 . 1 1 8 8 SER HB2 H 1 3.67 0.17 . 2 . . . . 8 SER HB2 . 18458 1 66 . 1 1 8 8 SER HB3 H 1 3.72 0.17 . 2 . . . . 8 SER HB3 . 18458 1 67 . 1 1 8 8 SER C C 13 174.44 0.29 . 1 . . . . 8 SER C . 18458 1 68 . 1 1 8 8 SER CA C 13 58.15 0.49 . 1 . . . . 8 SER CA . 18458 1 69 . 1 1 8 8 SER CB C 13 63.75 0.29 . 1 . . . . 8 SER CB . 18458 1 70 . 1 1 8 8 SER N N 15 112.95 1.06 . 1 . . . . 8 SER N . 18458 1 71 . 1 1 9 9 VAL H H 1 6.92 0.28 . 1 . . . . 9 VAL H . 18458 1 72 . 1 1 9 9 VAL HA H 1 3.78 0.1 . 1 . . . . 9 VAL HA . 18458 1 73 . 1 1 9 9 VAL HB H 1 2.02 0.05 . 1 . . . . 9 VAL HB . 18458 1 74 . 1 1 9 9 VAL HG11 H 1 0.77 0.09 . 2 . . . . 9 VAL MG1 . 18458 1 75 . 1 1 9 9 VAL HG12 H 1 0.77 0.09 . 2 . . . . 9 VAL MG1 . 18458 1 76 . 1 1 9 9 VAL HG13 H 1 0.77 0.09 . 2 . . . . 9 VAL MG1 . 18458 1 77 . 1 1 9 9 VAL HG21 H 1 0.96 0.1 . 2 . . . . 9 VAL MG2 . 18458 1 78 . 1 1 9 9 VAL HG22 H 1 0.96 0.1 . 2 . . . . 9 VAL MG2 . 18458 1 79 . 1 1 9 9 VAL HG23 H 1 0.96 0.1 . 2 . . . . 9 VAL MG2 . 18458 1 80 . 1 1 9 9 VAL C C 13 174.97 0.26 . 1 . . . . 9 VAL C . 18458 1 81 . 1 1 9 9 VAL CA C 13 61.89 0.26 . 1 . . . . 9 VAL CA . 18458 1 82 . 1 1 9 9 VAL CB C 13 32.38 0.33 . 1 . . . . 9 VAL CB . 18458 1 83 . 1 1 9 9 VAL N N 15 115.91 0.76 . 1 . . . . 9 VAL N . 18458 1 84 . 1 1 10 10 LEU H H 1 8.38 0.12 . 1 . . . . 10 LEU H . 18458 1 85 . 1 1 10 10 LEU HA H 1 4.41 0.22 . 1 . . . . 10 LEU HA . 18458 1 86 . 1 1 10 10 LEU HB2 H 1 1.82 0.1 . 2 . . . . 10 LEU HB2 . 18458 1 87 . 1 1 10 10 LEU HB3 H 1 1.58 0.04 . 2 . . . . 10 LEU HB3 . 18458 1 88 . 1 1 10 10 LEU HG H 1 1.35 0.07 . 1 . . . . 10 LEU HG . 18458 1 89 . 1 1 10 10 LEU HD11 H 1 0.58 0.14 . 2 . . . . 10 LEU MD1 . 18458 1 90 . 1 1 10 10 LEU HD12 H 1 0.58 0.14 . 2 . . . . 10 LEU MD1 . 18458 1 91 . 1 1 10 10 LEU HD13 H 1 0.58 0.14 . 2 . . . . 10 LEU MD1 . 18458 1 92 . 1 1 10 10 LEU HD21 H 1 0.66 0.06 . 2 . . . . 10 LEU MD2 . 18458 1 93 . 1 1 10 10 LEU HD22 H 1 0.66 0.06 . 2 . . . . 10 LEU MD2 . 18458 1 94 . 1 1 10 10 LEU HD23 H 1 0.66 0.06 . 2 . . . . 10 LEU MD2 . 18458 1 95 . 1 1 10 10 LEU C C 13 175.26 0.45 . 1 . . . . 10 LEU C . 18458 1 96 . 1 1 10 10 LEU CA C 13 54.54 0.42 . 1 . . . . 10 LEU CA . 18458 1 97 . 1 1 10 10 LEU CB C 13 42.83 0.37 . 1 . . . . 10 LEU CB . 18458 1 98 . 1 1 10 10 LEU N N 15 125.7 1.44 . 1 . . . . 10 LEU N . 18458 1 99 . 1 1 11 11 PHE H H 1 8.57 0.2 . 1 . . . . 11 PHE H . 18458 1 100 . 1 1 11 11 PHE HA H 1 4.87 0.12 . 1 . . . . 11 PHE HA . 18458 1 101 . 1 1 11 11 PHE HB2 H 1 3.15 0.12 . 2 . . . . 11 PHE HB2 . 18458 1 102 . 1 1 11 11 PHE HB3 H 1 3.03 0.11 . 2 . . . . 11 PHE HB3 . 18458 1 103 . 1 1 11 11 PHE C C 13 176.01 0.36 . 1 . . . . 11 PHE C . 18458 1 104 . 1 1 11 11 PHE CA C 13 58.62 0.65 . 1 . . . . 11 PHE CA . 18458 1 105 . 1 1 11 11 PHE CB C 13 40.28 0.84 . 1 . . . . 11 PHE CB . 18458 1 106 . 1 1 11 11 PHE N N 15 123.78 1.56 . 1 . . . . 11 PHE N . 18458 1 107 . 1 1 12 12 GLY H H 1 7.9 0.24 . 1 . . . . 12 GLY H . 18458 1 108 . 1 1 12 12 GLY HA2 H 1 3.99 0.3 . 2 . . . . 12 GLY HA2 . 18458 1 109 . 1 1 12 12 GLY HA3 H 1 3.97 0.13 . 2 . . . . 12 GLY HA3 . 18458 1 110 . 1 1 12 12 GLY C C 13 171.17 0.42 . 1 . . . . 12 GLY C . 18458 1 111 . 1 1 12 12 GLY CA C 13 44.8 0.29 . 1 . . . . 12 GLY CA . 18458 1 112 . 1 1 12 12 GLY N N 15 104.85 0.74 . 1 . . . . 12 GLY N . 18458 1 113 . 1 1 13 13 SER H H 1 8.5 0.23 . 1 . . . . 13 SER H . 18458 1 114 . 1 1 13 13 SER HA H 1 5.24 0.48 . 1 . . . . 13 SER HA . 18458 1 115 . 1 1 13 13 SER HB2 H 1 3.69 0.11 . 2 . . . . 13 SER HB2 . 18458 1 116 . 1 1 13 13 SER HB3 H 1 3.55 0.14 . 2 . . . . 13 SER HB3 . 18458 1 117 . 1 1 13 13 SER C C 13 173.89 0.32 . 1 . . . . 13 SER C . 18458 1 118 . 1 1 13 13 SER CA C 13 57.76 0.39 . 1 . . . . 13 SER CA . 18458 1 119 . 1 1 13 13 SER CB C 13 65.61 0.38 . 1 . . . . 13 SER CB . 18458 1 120 . 1 1 13 13 SER N N 15 115.1 1.47 . 1 . . . . 13 SER N . 18458 1 121 . 1 1 14 14 LEU H H 1 8.2 0.25 . 1 . . . . 14 LEU H . 18458 1 122 . 1 1 14 14 LEU HA H 1 4.75 0.17 . 1 . . . . 14 LEU HA . 18458 1 123 . 1 1 14 14 LEU HB2 H 1 1.64 0.05 . 2 . . . . 14 LEU HB2 . 18458 1 124 . 1 1 14 14 LEU HB3 H 1 1.71 0.11 . 2 . . . . 14 LEU HB3 . 18458 1 125 . 1 1 14 14 LEU HG H 1 1.65 0.17 . 1 . . . . 14 LEU HG . 18458 1 126 . 1 1 14 14 LEU HD11 H 1 0.92 0.06 . 2 . . . . 14 LEU MD1 . 18458 1 127 . 1 1 14 14 LEU HD12 H 1 0.92 0.06 . 2 . . . . 14 LEU MD1 . 18458 1 128 . 1 1 14 14 LEU HD13 H 1 0.92 0.06 . 2 . . . . 14 LEU MD1 . 18458 1 129 . 1 1 14 14 LEU HD21 H 1 0.62 0.16 . 2 . . . . 14 LEU MD2 . 18458 1 130 . 1 1 14 14 LEU HD22 H 1 0.62 0.16 . 2 . . . . 14 LEU MD2 . 18458 1 131 . 1 1 14 14 LEU HD23 H 1 0.62 0.16 . 2 . . . . 14 LEU MD2 . 18458 1 132 . 1 1 14 14 LEU C C 13 175.44 0.74 . 1 . . . . 14 LEU C . 18458 1 133 . 1 1 14 14 LEU CA C 13 54.48 0.39 . 1 . . . . 14 LEU CA . 18458 1 134 . 1 1 14 14 LEU CB C 13 43.51 0.49 . 1 . . . . 14 LEU CB . 18458 1 135 . 1 1 14 14 LEU N N 15 122.41 1.77 . 1 . . . . 14 LEU N . 18458 1 136 . 1 1 15 15 ARG H H 1 8.42 0.21 . 1 . . . . 15 ARG H . 18458 1 137 . 1 1 15 15 ARG HA H 1 4.58 0.22 . 1 . . . . 15 ARG HA . 18458 1 138 . 1 1 15 15 ARG HB2 H 1 1.72 0.06 . 2 . . . . 15 ARG HB2 . 18458 1 139 . 1 1 15 15 ARG HB3 H 1 1.84 0.07 . 2 . . . . 15 ARG HB3 . 18458 1 140 . 1 1 15 15 ARG HG2 H 1 1.52 0.1 . 2 . . . . 15 ARG HG2 . 18458 1 141 . 1 1 15 15 ARG HG3 H 1 1.59 0.06 . 2 . . . . 15 ARG HG3 . 18458 1 142 . 1 1 15 15 ARG HD2 H 1 3.28 0.13 . 2 . . . . 15 ARG HD2 . 18458 1 143 . 1 1 15 15 ARG HD3 H 1 3.26 0.17 . 2 . . . . 15 ARG HD3 . 18458 1 144 . 1 1 15 15 ARG HE H 1 7.24 0.1 . 1 . . . . 15 ARG HE . 18458 1 145 . 1 1 15 15 ARG C C 13 175.03 0.8 . 1 . . . . 15 ARG C . 18458 1 146 . 1 1 15 15 ARG CA C 13 54.54 0.6 . 1 . . . . 15 ARG CA . 18458 1 147 . 1 1 15 15 ARG CB C 13 32.67 1.2 . 1 . . . . 15 ARG CB . 18458 1 148 . 1 1 15 15 ARG N N 15 119.44 1.46 . 1 . . . . 15 ARG N . 18458 1 149 . 1 1 16 16 GLY H H 1 8.55 0.55 . 1 . . . . 16 GLY H . 18458 1 150 . 1 1 16 16 GLY HA2 H 1 3.95 0.07 . 2 . . . . 16 GLY HA2 . 18458 1 151 . 1 1 16 16 GLY HA3 H 1 3.94 0.06 . 2 . . . . 16 GLY HA3 . 18458 1 152 . 1 1 16 16 GLY C C 13 172.16 1.4 . 1 . . . . 16 GLY C . 18458 1 153 . 1 1 16 16 GLY CA C 13 45.05 1.13 . 1 . . . . 16 GLY CA . 18458 1 154 . 1 1 16 16 GLY N N 15 112.56 3.85 . 1 . . . . 16 GLY N . 18458 1 155 . 1 1 17 17 HIS H H 1 8.4 0.29 . 1 . . . . 17 HIS H . 18458 1 156 . 1 1 17 17 HIS HA H 1 4.58 0.3 . 1 . . . . 17 HIS HA . 18458 1 157 . 1 1 17 17 HIS HB2 H 1 3.17 0.12 . 2 . . . . 17 HIS HB2 . 18458 1 158 . 1 1 17 17 HIS HB3 H 1 3.29 0.09 . 2 . . . . 17 HIS HB3 . 18458 1 159 . 1 1 17 17 HIS HD2 H 1 5.74 0.11 . 1 . . . . 17 HIS HD2 . 18458 1 160 . 1 1 17 17 HIS HE1 H 1 6.9 0.35 . 1 . . . . 17 HIS HE1 . 18458 1 161 . 1 1 17 17 HIS C C 13 174.31 1.81 . 1 . . . . 17 HIS C . 18458 1 162 . 1 1 17 17 HIS CA C 13 55.24 0.83 . 1 . . . . 17 HIS CA . 18458 1 163 . 1 1 17 17 HIS CB C 13 29.01 1.95 . 1 . . . . 17 HIS CB . 18458 1 164 . 1 1 17 17 HIS N N 15 120.04 5.01 . 1 . . . . 17 HIS N . 18458 1 165 . 1 1 18 18 VAL H H 1 7.76 0.28 . 1 . . . . 18 VAL H . 18458 1 166 . 1 1 18 18 VAL HA H 1 4.07 0.24 . 1 . . . . 18 VAL HA . 18458 1 167 . 1 1 18 18 VAL HB H 1 2.09 0.06 . 1 . . . . 18 VAL HB . 18458 1 168 . 1 1 18 18 VAL HG11 H 1 0.84 0.09 . 2 . . . . 18 VAL MG1 . 18458 1 169 . 1 1 18 18 VAL HG12 H 1 0.84 0.09 . 2 . . . . 18 VAL MG1 . 18458 1 170 . 1 1 18 18 VAL HG13 H 1 0.84 0.09 . 2 . . . . 18 VAL MG1 . 18458 1 171 . 1 1 18 18 VAL HG21 H 1 0.96 0.06 . 2 . . . . 18 VAL MG2 . 18458 1 172 . 1 1 18 18 VAL HG22 H 1 0.96 0.06 . 2 . . . . 18 VAL MG2 . 18458 1 173 . 1 1 18 18 VAL HG23 H 1 0.96 0.06 . 2 . . . . 18 VAL MG2 . 18458 1 174 . 1 1 18 18 VAL C C 13 175.5 0.75 . 1 . . . . 18 VAL C . 18458 1 175 . 1 1 18 18 VAL CA C 13 61.01 1.18 . 1 . . . . 18 VAL CA . 18458 1 176 . 1 1 18 18 VAL CB C 13 32.33 1.73 . 1 . . . . 18 VAL CB . 18458 1 177 . 1 1 18 18 VAL N N 15 118.39 3.6 . 1 . . . . 18 VAL N . 18458 1 178 . 1 1 19 19 VAL H H 1 7.94 0.23 . 1 . . . . 19 VAL H . 18458 1 179 . 1 1 19 19 VAL HA H 1 4.42 0.19 . 1 . . . . 19 VAL HA . 18458 1 180 . 1 1 19 19 VAL HB H 1 2.08 0.16 . 1 . . . . 19 VAL HB . 18458 1 181 . 1 1 19 19 VAL HG11 H 1 0.73 0.16 . 2 . . . . 19 VAL MG1 . 18458 1 182 . 1 1 19 19 VAL HG12 H 1 0.73 0.16 . 2 . . . . 19 VAL MG1 . 18458 1 183 . 1 1 19 19 VAL HG13 H 1 0.73 0.16 . 2 . . . . 19 VAL MG1 . 18458 1 184 . 1 1 19 19 VAL HG21 H 1 0.9 0.14 . 2 . . . . 19 VAL MG2 . 18458 1 185 . 1 1 19 19 VAL HG22 H 1 0.9 0.14 . 2 . . . . 19 VAL MG2 . 18458 1 186 . 1 1 19 19 VAL HG23 H 1 0.9 0.14 . 2 . . . . 19 VAL MG2 . 18458 1 187 . 1 1 19 19 VAL C C 13 175.54 0.54 . 1 . . . . 19 VAL C . 18458 1 188 . 1 1 19 19 VAL CA C 13 59.44 0.73 . 1 . . . . 19 VAL CA . 18458 1 189 . 1 1 19 19 VAL CB C 13 34.49 0.92 . 1 . . . . 19 VAL CB . 18458 1 190 . 1 1 19 19 VAL N N 15 120.18 3.36 . 1 . . . . 19 VAL N . 18458 1 191 . 1 1 20 20 GLY H H 1 8.46 0.18 . 1 . . . . 20 GLY H . 18458 1 192 . 1 1 20 20 GLY HA2 H 1 4.05 0.12 . 2 . . . . 20 GLY HA2 . 18458 1 193 . 1 1 20 20 GLY HA3 H 1 3.99 0.08 . 2 . . . . 20 GLY HA3 . 18458 1 194 . 1 1 20 20 GLY C C 13 173.97 0.83 . 1 . . . . 20 GLY C . 18458 1 195 . 1 1 20 20 GLY CA C 13 45.18 0.76 . 1 . . . . 20 GLY CA . 18458 1 196 . 1 1 20 20 GLY N N 15 111.75 2.54 . 1 . . . . 20 GLY N . 18458 1 197 . 1 1 21 21 LEU H H 1 8.38 0.21 . 1 . . . . 21 LEU H . 18458 1 198 . 1 1 21 21 LEU HA H 1 4.42 0.38 . 1 . . . . 21 LEU HA . 18458 1 199 . 1 1 21 21 LEU HB2 H 1 1.67 0.14 . 2 . . . . 21 LEU HB2 . 18458 1 200 . 1 1 21 21 LEU HB3 H 1 1.71 0.13 . 2 . . . . 21 LEU HB3 . 18458 1 201 . 1 1 21 21 LEU HG H 1 1.65 0.29 . 1 . . . . 21 LEU HG . 18458 1 202 . 1 1 21 21 LEU HD11 H 1 0.84 0.24 . 2 . . . . 21 LEU MD1 . 18458 1 203 . 1 1 21 21 LEU HD12 H 1 0.84 0.24 . 2 . . . . 21 LEU MD1 . 18458 1 204 . 1 1 21 21 LEU HD13 H 1 0.84 0.24 . 2 . . . . 21 LEU MD1 . 18458 1 205 . 1 1 21 21 LEU HD21 H 1 0.84 0.16 . 2 . . . . 21 LEU MD2 . 18458 1 206 . 1 1 21 21 LEU HD22 H 1 0.84 0.16 . 2 . . . . 21 LEU MD2 . 18458 1 207 . 1 1 21 21 LEU HD23 H 1 0.84 0.16 . 2 . . . . 21 LEU MD2 . 18458 1 208 . 1 1 21 21 LEU C C 13 178.71 0.84 . 1 . . . . 21 LEU C . 18458 1 209 . 1 1 21 21 LEU CA C 13 56.47 1.15 . 1 . . . . 21 LEU CA . 18458 1 210 . 1 1 21 21 LEU CB C 13 41.92 0.82 . 1 . . . . 21 LEU CB . 18458 1 211 . 1 1 21 21 LEU N N 15 123.92 2.89 . 1 . . . . 21 LEU N . 18458 1 212 . 1 1 22 22 ARG H H 1 7.92 0.27 . 1 . . . . 22 ARG H . 18458 1 213 . 1 1 22 22 ARG HA H 1 3.9 0.17 . 1 . . . . 22 ARG HA . 18458 1 214 . 1 1 22 22 ARG HB2 H 1 1.65 0.23 . 2 . . . . 22 ARG HB2 . 18458 1 215 . 1 1 22 22 ARG HB3 H 1 1.7 0.33 . 2 . . . . 22 ARG HB3 . 18458 1 216 . 1 1 22 22 ARG HG2 H 1 1.4 0.38 . 2 . . . . 22 ARG HG2 . 18458 1 217 . 1 1 22 22 ARG HG3 H 1 1.51 0.23 . 2 . . . . 22 ARG HG3 . 18458 1 218 . 1 1 22 22 ARG HD2 H 1 3.13 0.16 . 2 . . . . 22 ARG HD2 . 18458 1 219 . 1 1 22 22 ARG HD3 H 1 3.06 0.28 . 2 . . . . 22 ARG HD3 . 18458 1 220 . 1 1 22 22 ARG HE H 1 7.37 0.1 . 1 . . . . 22 ARG HE . 18458 1 221 . 1 1 22 22 ARG C C 13 176.77 0.51 . 1 . . . . 22 ARG C . 18458 1 222 . 1 1 22 22 ARG CA C 13 59.06 0.65 . 1 . . . . 22 ARG CA . 18458 1 223 . 1 1 22 22 ARG CB C 13 30.26 0.37 . 1 . . . . 22 ARG CB . 18458 1 224 . 1 1 22 22 ARG N N 15 117.77 1.37 . 1 . . . . 22 ARG N . 18458 1 225 . 1 1 23 23 TYR H H 1 7.69 0.26 . 1 . . . . 23 TYR H . 18458 1 226 . 1 1 23 23 TYR HA H 1 4.5 0.2 . 1 . . . . 23 TYR HA . 18458 1 227 . 1 1 23 23 TYR HB2 H 1 2.92 0.14 . 2 . . . . 23 TYR HB2 . 18458 1 228 . 1 1 23 23 TYR HB3 H 1 2.85 0.25 . 2 . . . . 23 TYR HB3 . 18458 1 229 . 1 1 23 23 TYR C C 13 175.31 0.92 . 1 . . . . 23 TYR C . 18458 1 230 . 1 1 23 23 TYR CA C 13 58.31 1.15 . 1 . . . . 23 TYR CA . 18458 1 231 . 1 1 23 23 TYR CB C 13 39.47 1.32 . 1 . . . . 23 TYR CB . 18458 1 232 . 1 1 23 23 TYR N N 15 113.92 2.54 . 1 . . . . 23 TYR N . 18458 1 233 . 1 1 24 24 TYR H H 1 7.65 0.42 . 1 . . . . 24 TYR H . 18458 1 234 . 1 1 24 24 TYR HA H 1 4.38 0.45 . 1 . . . . 24 TYR HA . 18458 1 235 . 1 1 24 24 TYR HB2 H 1 3.03 0.15 . 2 . . . . 24 TYR HB2 . 18458 1 236 . 1 1 24 24 TYR HB3 H 1 2.93 0.13 . 2 . . . . 24 TYR HB3 . 18458 1 237 . 1 1 24 24 TYR C C 13 174.89 2.26 . 1 . . . . 24 TYR C . 18458 1 238 . 1 1 24 24 TYR CA C 13 57.7 1.55 . 1 . . . . 24 TYR CA . 18458 1 239 . 1 1 24 24 TYR CB C 13 39.22 2.03 . 1 . . . . 24 TYR CB . 18458 1 240 . 1 1 24 24 TYR N N 15 118.45 3.21 . 1 . . . . 24 TYR N . 18458 1 241 . 1 1 25 25 THR H H 1 8.22 0.47 . 1 . . . . 25 THR H . 18458 1 242 . 1 1 25 25 THR HA H 1 3.97 0.26 . 1 . . . . 25 THR HA . 18458 1 243 . 1 1 25 25 THR HB H 1 4.24 0.1 . 1 . . . . 25 THR HB . 18458 1 244 . 1 1 25 25 THR HG21 H 1 1.2 0.11 . 1 . . . . 25 THR MG . 18458 1 245 . 1 1 25 25 THR HG22 H 1 1.2 0.11 . 1 . . . . 25 THR MG . 18458 1 246 . 1 1 25 25 THR HG23 H 1 1.2 0.11 . 1 . . . . 25 THR MG . 18458 1 247 . 1 1 25 25 THR C C 13 175.51 0.8 . 1 . . . . 25 THR C . 18458 1 248 . 1 1 25 25 THR CA C 13 63.52 1.37 . 1 . . . . 25 THR CA . 18458 1 249 . 1 1 25 25 THR CB C 13 68.62 0.83 . 1 . . . . 25 THR CB . 18458 1 250 . 1 1 25 25 THR N N 15 116.41 3.29 . 1 . . . . 25 THR N . 18458 1 251 . 1 1 26 26 GLY H H 1 8.18 0.41 . 1 . . . . 26 GLY H . 18458 1 252 . 1 1 26 26 GLY HA2 H 1 3.99 0.07 . 2 . . . . 26 GLY HA2 . 18458 1 253 . 1 1 26 26 GLY HA3 H 1 4.05 0.12 . 2 . . . . 26 GLY HA3 . 18458 1 254 . 1 1 26 26 GLY C C 13 173.6 0.39 . 1 . . . . 26 GLY C . 18458 1 255 . 1 1 26 26 GLY CA C 13 45.68 0.68 . 1 . . . . 26 GLY CA . 18458 1 256 . 1 1 26 26 GLY N N 15 108.62 0.74 . 1 . . . . 26 GLY N . 18458 1 257 . 1 1 27 27 VAL H H 1 7.43 0.43 . 1 . . . . 27 VAL H . 18458 1 258 . 1 1 27 27 VAL HA H 1 4.11 0.33 . 1 . . . . 27 VAL HA . 18458 1 259 . 1 1 27 27 VAL HB H 1 2.11 0.12 . 1 . . . . 27 VAL HB . 18458 1 260 . 1 1 27 27 VAL HG11 H 1 0.72 0.14 . 2 . . . . 27 VAL MG1 . 18458 1 261 . 1 1 27 27 VAL HG12 H 1 0.72 0.14 . 2 . . . . 27 VAL MG1 . 18458 1 262 . 1 1 27 27 VAL HG13 H 1 0.72 0.14 . 2 . . . . 27 VAL MG1 . 18458 1 263 . 1 1 27 27 VAL HG21 H 1 0.92 0.09 . 2 . . . . 27 VAL MG2 . 18458 1 264 . 1 1 27 27 VAL HG22 H 1 0.92 0.09 . 2 . . . . 27 VAL MG2 . 18458 1 265 . 1 1 27 27 VAL HG23 H 1 0.92 0.09 . 2 . . . . 27 VAL MG2 . 18458 1 266 . 1 1 27 27 VAL C C 13 175.68 0.35 . 1 . . . . 27 VAL C . 18458 1 267 . 1 1 27 27 VAL CA C 13 60.66 1.16 . 1 . . . . 27 VAL CA . 18458 1 268 . 1 1 27 27 VAL CB C 13 32.91 0.85 . 1 . . . . 27 VAL CB . 18458 1 269 . 1 1 27 27 VAL N N 15 113.08 2.82 . 1 . . . . 27 VAL N . 18458 1 270 . 1 1 28 28 VAL H H 1 8.05 0.16 . 1 . . . . 28 VAL H . 18458 1 271 . 1 1 28 28 VAL HA H 1 4.25 0.18 . 1 . . . . 28 VAL HA . 18458 1 272 . 1 1 28 28 VAL HB H 1 2.1 0.08 . 1 . . . . 28 VAL HB . 18458 1 273 . 1 1 28 28 VAL HG11 H 1 0.76 0.09 . 2 . . . . 28 VAL MG1 . 18458 1 274 . 1 1 28 28 VAL HG12 H 1 0.76 0.09 . 2 . . . . 28 VAL MG1 . 18458 1 275 . 1 1 28 28 VAL HG13 H 1 0.76 0.09 . 2 . . . . 28 VAL MG1 . 18458 1 276 . 1 1 28 28 VAL HG21 H 1 0.94 0.06 . 2 . . . . 28 VAL MG2 . 18458 1 277 . 1 1 28 28 VAL HG22 H 1 0.94 0.06 . 2 . . . . 28 VAL MG2 . 18458 1 278 . 1 1 28 28 VAL HG23 H 1 0.94 0.06 . 2 . . . . 28 VAL MG2 . 18458 1 279 . 1 1 28 28 VAL C C 13 175.13 0.26 . 1 . . . . 28 VAL C . 18458 1 280 . 1 1 28 28 VAL CA C 13 61.21 0.62 . 1 . . . . 28 VAL CA . 18458 1 281 . 1 1 28 28 VAL CB C 13 33.1 0.63 . 1 . . . . 28 VAL CB . 18458 1 282 . 1 1 28 28 VAL N N 15 124.11 1.97 . 1 . . . . 28 VAL N . 18458 1 283 . 1 1 29 29 ASN H H 1 8.63 0.24 . 1 . . . . 29 ASN H . 18458 1 284 . 1 1 29 29 ASN HA H 1 4.72 0.13 . 1 . . . . 29 ASN HA . 18458 1 285 . 1 1 29 29 ASN HB2 H 1 2.84 0.08 . 2 . . . . 29 ASN HB2 . 18458 1 286 . 1 1 29 29 ASN HB3 H 1 2.74 0.1 . 2 . . . . 29 ASN HB3 . 18458 1 287 . 1 1 29 29 ASN HD21 H 1 7.14 0.25 . 2 . . . . 29 ASN HD21 . 18458 1 288 . 1 1 29 29 ASN HD22 H 1 6.74 0.05 . 2 . . . . 29 ASN HD22 . 18458 1 289 . 1 1 29 29 ASN C C 13 175.31 0.16 . 1 . . . . 29 ASN C . 18458 1 290 . 1 1 29 29 ASN CA C 13 52.71 0.46 . 1 . . . . 29 ASN CA . 18458 1 291 . 1 1 29 29 ASN CB C 13 40.16 0.32 . 1 . . . . 29 ASN CB . 18458 1 292 . 1 1 29 29 ASN N N 15 125.79 1.03 . 1 . . . . 29 ASN N . 18458 1 293 . 1 1 30 30 ASN H H 1 8.75 0.15 . 1 . . . . 30 ASN H . 18458 1 294 . 1 1 30 30 ASN HA H 1 4.39 0.1 . 1 . . . . 30 ASN HA . 18458 1 295 . 1 1 30 30 ASN HB2 H 1 2.78 0.11 . 2 . . . . 30 ASN HB2 . 18458 1 296 . 1 1 30 30 ASN HB3 H 1 2.89 0.09 . 2 . . . . 30 ASN HB3 . 18458 1 297 . 1 1 30 30 ASN HD21 H 1 6.84 0.36 . 2 . . . . 30 ASN HD21 . 18458 1 298 . 1 1 30 30 ASN HD22 H 1 7.69 0.58 . 2 . . . . 30 ASN HD22 . 18458 1 299 . 1 1 30 30 ASN C C 13 176.8 0.44 . 1 . . . . 30 ASN C . 18458 1 300 . 1 1 30 30 ASN CA C 13 56.34 0.38 . 1 . . . . 30 ASN CA . 18458 1 301 . 1 1 30 30 ASN CB C 13 38.49 0.47 . 1 . . . . 30 ASN CB . 18458 1 302 . 1 1 30 30 ASN N N 15 118.98 1.07 . 1 . . . . 30 ASN N . 18458 1 303 . 1 1 31 31 ASN H H 1 8.24 0.21 . 1 . . . . 31 ASN H . 18458 1 304 . 1 1 31 31 ASN HA H 1 4.54 0.05 . 1 . . . . 31 ASN HA . 18458 1 305 . 1 1 31 31 ASN HB2 H 1 2.77 0.07 . 2 . . . . 31 ASN HB2 . 18458 1 306 . 1 1 31 31 ASN HB3 H 1 2.87 0.04 . 2 . . . . 31 ASN HB3 . 18458 1 307 . 1 1 31 31 ASN HD21 H 1 6.95 0.38 . 2 . . . . 31 ASN HD21 . 18458 1 308 . 1 1 31 31 ASN HD22 H 1 7.5 0.25 . 2 . . . . 31 ASN HD22 . 18458 1 309 . 1 1 31 31 ASN C C 13 176.06 0.38 . 1 . . . . 31 ASN C . 18458 1 310 . 1 1 31 31 ASN CA C 13 55.6 0.53 . 1 . . . . 31 ASN CA . 18458 1 311 . 1 1 31 31 ASN CB C 13 38.84 0.46 . 1 . . . . 31 ASN CB . 18458 1 312 . 1 1 31 31 ASN N N 15 116.19 1.51 . 1 . . . . 31 ASN N . 18458 1 313 . 1 1 32 32 GLU H H 1 7.75 0.08 . 1 . . . . 32 GLU H . 18458 1 314 . 1 1 32 32 GLU HA H 1 4.22 0.07 . 1 . . . . 32 GLU HA . 18458 1 315 . 1 1 32 32 GLU HB2 H 1 2.19 0.08 . 2 . . . . 32 GLU HB2 . 18458 1 316 . 1 1 32 32 GLU HB3 H 1 1.99 0.07 . 2 . . . . 32 GLU HB3 . 18458 1 317 . 1 1 32 32 GLU HG2 H 1 2.34 0.05 . 2 . . . . 32 GLU HG2 . 18458 1 318 . 1 1 32 32 GLU HG3 H 1 2.37 0.15 . 2 . . . . 32 GLU HG3 . 18458 1 319 . 1 1 32 32 GLU C C 13 176.69 0.12 . 1 . . . . 32 GLU C . 18458 1 320 . 1 1 32 32 GLU CA C 13 56.41 0.47 . 1 . . . . 32 GLU CA . 18458 1 321 . 1 1 32 32 GLU CB C 13 30.0 0.17 . 1 . . . . 32 GLU CB . 18458 1 322 . 1 1 32 32 GLU N N 15 117.09 1.16 . 1 . . . . 32 GLU N . 18458 1 323 . 1 1 33 33 MET H H 1 7.31 0.41 . 1 . . . . 33 MET H . 18458 1 324 . 1 1 33 33 MET HA H 1 4.11 0.13 . 1 . . . . 33 MET HA . 18458 1 325 . 1 1 33 33 MET HB2 H 1 2.09 0.12 . 2 . . . . 33 MET HB2 . 18458 1 326 . 1 1 33 33 MET HB3 H 1 2.21 0.09 . 2 . . . . 33 MET HB3 . 18458 1 327 . 1 1 33 33 MET HG2 H 1 2.61 0.03 . 2 . . . . 33 MET HG2 . 18458 1 328 . 1 1 33 33 MET HG3 H 1 2.76 0.06 . 2 . . . . 33 MET HG3 . 18458 1 329 . 1 1 33 33 MET HE1 H 1 0.33 0.04 . 1 . . . . 33 MET ME . 18458 1 330 . 1 1 33 33 MET HE2 H 1 0.33 0.04 . 1 . . . . 33 MET ME . 18458 1 331 . 1 1 33 33 MET HE3 H 1 0.33 0.04 . 1 . . . . 33 MET ME . 18458 1 332 . 1 1 33 33 MET C C 13 176.19 0.17 . 1 . . . . 33 MET C . 18458 1 333 . 1 1 33 33 MET CA C 13 55.94 0.35 . 1 . . . . 33 MET CA . 18458 1 334 . 1 1 33 33 MET CB C 13 31.92 0.16 . 1 . . . . 33 MET CB . 18458 1 335 . 1 1 33 33 MET N N 15 116.73 0.53 . 1 . . . . 33 MET N . 18458 1 336 . 1 1 34 34 VAL H H 1 8.24 0.15 . 1 . . . . 34 VAL H . 18458 1 337 . 1 1 34 34 VAL HA H 1 4.42 0.12 . 1 . . . . 34 VAL HA . 18458 1 338 . 1 1 34 34 VAL HB H 1 2.08 0.04 . 1 . . . . 34 VAL HB . 18458 1 339 . 1 1 34 34 VAL HG11 H 1 0.8 0.09 . 2 . . . . 34 VAL MG1 . 18458 1 340 . 1 1 34 34 VAL HG12 H 1 0.8 0.09 . 2 . . . . 34 VAL MG1 . 18458 1 341 . 1 1 34 34 VAL HG13 H 1 0.8 0.09 . 2 . . . . 34 VAL MG1 . 18458 1 342 . 1 1 34 34 VAL HG21 H 1 0.99 0.06 . 2 . . . . 34 VAL MG2 . 18458 1 343 . 1 1 34 34 VAL HG22 H 1 0.99 0.06 . 2 . . . . 34 VAL MG2 . 18458 1 344 . 1 1 34 34 VAL HG23 H 1 0.99 0.06 . 2 . . . . 34 VAL MG2 . 18458 1 345 . 1 1 34 34 VAL C C 13 174.98 0.16 . 1 . . . . 34 VAL C . 18458 1 346 . 1 1 34 34 VAL CA C 13 60.04 0.37 . 1 . . . . 34 VAL CA . 18458 1 347 . 1 1 34 34 VAL CB C 13 34.03 0.52 . 1 . . . . 34 VAL CB . 18458 1 348 . 1 1 34 34 VAL N N 15 114.32 1.05 . 1 . . . . 34 VAL N . 18458 1 349 . 1 1 35 35 ALA H H 1 8.27 0.12 . 1 . . . . 35 ALA H . 18458 1 350 . 1 1 35 35 ALA HA H 1 4.87 0.11 . 1 . . . . 35 ALA HA . 18458 1 351 . 1 1 35 35 ALA HB1 H 1 1.22 0.03 . 1 . . . . 35 ALA MB . 18458 1 352 . 1 1 35 35 ALA HB2 H 1 1.22 0.03 . 1 . . . . 35 ALA MB . 18458 1 353 . 1 1 35 35 ALA HB3 H 1 1.22 0.03 . 1 . . . . 35 ALA MB . 18458 1 354 . 1 1 35 35 ALA C C 13 175.46 0.19 . 1 . . . . 35 ALA C . 18458 1 355 . 1 1 35 35 ALA CA C 13 50.93 0.18 . 1 . . . . 35 ALA CA . 18458 1 356 . 1 1 35 35 ALA CB C 13 22.02 0.12 . 1 . . . . 35 ALA CB . 18458 1 357 . 1 1 35 35 ALA N N 15 124.95 1.47 . 1 . . . . 35 ALA N . 18458 1 358 . 1 1 36 36 LEU H H 1 8.25 0.19 . 1 . . . . 36 LEU H . 18458 1 359 . 1 1 36 36 LEU HA H 1 4.65 0.09 . 1 . . . . 36 LEU HA . 18458 1 360 . 1 1 36 36 LEU HB2 H 1 1.67 0.08 . 2 . . . . 36 LEU HB2 . 18458 1 361 . 1 1 36 36 LEU HB3 H 1 1.63 0.03 . 2 . . . . 36 LEU HB3 . 18458 1 362 . 1 1 36 36 LEU HG H 1 1.59 0.09 . 1 . . . . 36 LEU HG . 18458 1 363 . 1 1 36 36 LEU HD11 H 1 0.93 0.05 . 2 . . . . 36 LEU MD1 . 18458 1 364 . 1 1 36 36 LEU HD12 H 1 0.93 0.05 . 2 . . . . 36 LEU MD1 . 18458 1 365 . 1 1 36 36 LEU HD13 H 1 0.93 0.05 . 2 . . . . 36 LEU MD1 . 18458 1 366 . 1 1 36 36 LEU HD21 H 1 0.59 0.12 . 2 . . . . 36 LEU MD2 . 18458 1 367 . 1 1 36 36 LEU HD22 H 1 0.59 0.12 . 2 . . . . 36 LEU MD2 . 18458 1 368 . 1 1 36 36 LEU HD23 H 1 0.59 0.12 . 2 . . . . 36 LEU MD2 . 18458 1 369 . 1 1 36 36 LEU C C 13 176.28 0.29 . 1 . . . . 36 LEU C . 18458 1 370 . 1 1 36 36 LEU CA C 13 54.14 0.18 . 1 . . . . 36 LEU CA . 18458 1 371 . 1 1 36 36 LEU CB C 13 42.93 0.67 . 1 . . . . 36 LEU CB . 18458 1 372 . 1 1 36 36 LEU N N 15 122.14 1.34 . 1 . . . . 36 LEU N . 18458 1 373 . 1 1 37 37 GLN H H 1 8.46 0.11 . 1 . . . . 37 GLN H . 18458 1 374 . 1 1 37 37 GLN HA H 1 4.29 0.1 . 1 . . . . 37 GLN HA . 18458 1 375 . 1 1 37 37 GLN HB2 H 1 2.03 0.04 . 2 . . . . 37 GLN HB2 . 18458 1 376 . 1 1 37 37 GLN HB3 H 1 2.04 0.07 . 2 . . . . 37 GLN HB3 . 18458 1 377 . 1 1 37 37 GLN HG2 H 1 2.26 0.01 . 2 . . . . 37 GLN HG2 . 18458 1 378 . 1 1 37 37 GLN HG3 H 1 2.37 0.02 . 2 . . . . 37 GLN HG3 . 18458 1 379 . 1 1 37 37 GLN HE21 H 1 7.53 0.18 . 2 . . . . 37 GLN HE21 . 18458 1 380 . 1 1 37 37 GLN HE22 H 1 6.84 0.09 . 2 . . . . 37 GLN HE22 . 18458 1 381 . 1 1 37 37 GLN C C 13 173.02 0.39 . 1 . . . . 37 GLN C . 18458 1 382 . 1 1 37 37 GLN CA C 13 55.68 0.34 . 1 . . . . 37 GLN CA . 18458 1 383 . 1 1 37 37 GLN CB C 13 30.7 0.65 . 1 . . . . 37 GLN CB . 18458 1 384 . 1 1 37 37 GLN N N 15 122.65 1.19 . 1 . . . . 37 GLN N . 18458 1 385 . 1 1 38 38 ARG H H 1 8.25 0.18 . 1 . . . . 38 ARG H . 18458 1 386 . 1 1 38 38 ARG HA H 1 4.68 0.1 . 1 . . . . 38 ARG HA . 18458 1 387 . 1 1 38 38 ARG HB2 H 1 1.95 0.11 . 2 . . . . 38 ARG HB2 . 18458 1 388 . 1 1 38 38 ARG HB3 H 1 1.89 0.06 . 2 . . . . 38 ARG HB3 . 18458 1 389 . 1 1 38 38 ARG HG2 H 1 1.59 0.04 . 2 . . . . 38 ARG HG2 . 18458 1 390 . 1 1 38 38 ARG HG3 H 1 1.7 0.1 . 2 . . . . 38 ARG HG3 . 18458 1 391 . 1 1 38 38 ARG HD2 H 1 3.4 0.1 . 2 . . . . 38 ARG HD2 . 18458 1 392 . 1 1 38 38 ARG HD3 H 1 3.26 0.08 . 2 . . . . 38 ARG HD3 . 18458 1 393 . 1 1 38 38 ARG HE H 1 7.38 0 . 1 . . . . 38 ARG HE . 18458 1 394 . 1 1 38 38 ARG C C 13 174.82 0.73 . 1 . . . . 38 ARG C . 18458 1 395 . 1 1 38 38 ARG CA C 13 54.06 0.23 . 1 . . . . 38 ARG CA . 18458 1 396 . 1 1 38 38 ARG CB C 13 33.39 0.64 . 1 . . . . 38 ARG CB . 18458 1 397 . 1 1 38 38 ARG N N 15 125.14 1.73 . 1 . . . . 38 ARG N . 18458 1 398 . 1 1 39 39 ASP H H 1 8.52 0.11 . 1 . . . . 39 ASP H . 18458 1 399 . 1 1 39 39 ASP HA H 1 4.48 0.06 . 1 . . . . 39 ASP HA . 18458 1 400 . 1 1 39 39 ASP HB2 H 1 2.77 0.06 . 2 . . . . 39 ASP HB2 . 18458 1 401 . 1 1 39 39 ASP HB3 H 1 2.63 0.05 . 2 . . . . 39 ASP HB3 . 18458 1 402 . 1 1 39 39 ASP C C 13 175.77 0.53 . 1 . . . . 39 ASP C . 18458 1 403 . 1 1 39 39 ASP CA C 13 54.1 0.4 . 1 . . . . 39 ASP CA . 18458 1 404 . 1 1 39 39 ASP CB C 13 41.1 0.39 . 1 . . . . 39 ASP CB . 18458 1 405 . 1 1 39 39 ASP N N 15 118.47 0.8 . 1 . . . . 39 ASP N . 18458 1 406 . 1 1 40 40 PRO HA H 1 4.52 0.32 . 1 . . . . 40 PRO HA . 18458 1 407 . 1 1 40 40 PRO HB2 H 1 2.18 0.04 . 2 . . . . 40 PRO HB2 . 18458 1 408 . 1 1 40 40 PRO HB3 H 1 2.26 0.06 . 2 . . . . 40 PRO HB3 . 18458 1 409 . 1 1 40 40 PRO HG2 H 1 1.99 0.02 . 2 . . . . 40 PRO HG2 . 18458 1 410 . 1 1 40 40 PRO HG3 H 1 1.94 0.03 . 2 . . . . 40 PRO HG3 . 18458 1 411 . 1 1 40 40 PRO HD2 H 1 3.68 0.19 . 2 . . . . 40 PRO HD2 . 18458 1 412 . 1 1 40 40 PRO HD3 H 1 3.73 0.44 . 2 . . . . 40 PRO HD3 . 18458 1 413 . 1 1 40 40 PRO C C 13 177 0.39 . 1 . . . . 40 PRO C . 18458 1 414 . 1 1 40 40 PRO CA C 13 65.1 0.59 . 1 . . . . 40 PRO CA . 18458 1 415 . 1 1 40 40 PRO CB C 13 31.5 0.17 . 1 . . . . 40 PRO CB . 18458 1 416 . 1 1 41 41 ASN H H 1 7.98 0.14 . 1 . . . . 41 ASN H . 18458 1 417 . 1 1 41 41 ASN HA H 1 4.58 0.21 . 1 . . . . 41 ASN HA . 18458 1 418 . 1 1 41 41 ASN HB2 H 1 2.69 0.07 . 2 . . . . 41 ASN HB2 . 18458 1 419 . 1 1 41 41 ASN HB3 H 1 2.92 0.09 . 2 . . . . 41 ASN HB3 . 18458 1 420 . 1 1 41 41 ASN HD21 H 1 7.04 0.17 . 2 . . . . 41 ASN HD21 . 18458 1 421 . 1 1 41 41 ASN HD22 H 1 7.87 0.19 . 2 . . . . 41 ASN HD22 . 18458 1 422 . 1 1 41 41 ASN C C 13 174.21 0.61 . 1 . . . . 41 ASN C . 18458 1 423 . 1 1 41 41 ASN CA C 13 54.51 1.09 . 1 . . . . 41 ASN CA . 18458 1 424 . 1 1 41 41 ASN CB C 13 39.57 0.37 . 1 . . . . 41 ASN CB . 18458 1 425 . 1 1 41 41 ASN N N 15 115.6 1.21 . 1 . . . . 41 ASN N . 18458 1 426 . 1 1 42 42 ASN H H 1 8.01 0.15 . 1 . . . . 42 ASN H . 18458 1 427 . 1 1 42 42 ASN HA H 1 4.65 0.14 . 1 . . . . 42 ASN HA . 18458 1 428 . 1 1 42 42 ASN HB2 H 1 2.93 0.12 . 2 . . . . 42 ASN HB2 . 18458 1 429 . 1 1 42 42 ASN HB3 H 1 2.92 0.1 . 2 . . . . 42 ASN HB3 . 18458 1 430 . 1 1 42 42 ASN HD21 H 1 6.97 0.21 . 2 . . . . 42 ASN HD21 . 18458 1 431 . 1 1 42 42 ASN HD22 H 1 7.83 0.54 . 2 . . . . 42 ASN HD22 . 18458 1 432 . 1 1 42 42 ASN C C 13 173.61 0.28 . 1 . . . . 42 ASN C . 18458 1 433 . 1 1 42 42 ASN CA C 13 52.19 0.5 . 1 . . . . 42 ASN CA . 18458 1 434 . 1 1 42 42 ASN CB C 13 39.24 0.32 . 1 . . . . 42 ASN CB . 18458 1 435 . 1 1 42 42 ASN N N 15 117.56 1.02 . 1 . . . . 42 ASN N . 18458 1 436 . 1 1 43 43 PRO HA H 1 4.57 0.15 . 1 . . . . 43 PRO HA . 18458 1 437 . 1 1 43 43 PRO HB2 H 1 2.09 0.13 . 2 . . . . 43 PRO HB2 . 18458 1 438 . 1 1 43 43 PRO HB3 H 1 2.1 0.11 . 2 . . . . 43 PRO HB3 . 18458 1 439 . 1 1 43 43 PRO HG2 H 1 1.8 0.37 . 2 . . . . 43 PRO HG2 . 18458 1 440 . 1 1 43 43 PRO HG3 H 1 1.93 0.15 . 2 . . . . 43 PRO HG3 . 18458 1 441 . 1 1 43 43 PRO HD2 H 1 3.66 0.21 . 2 . . . . 43 PRO HD2 . 18458 1 442 . 1 1 43 43 PRO HD3 H 1 3.87 0.37 . 2 . . . . 43 PRO HD3 . 18458 1 443 . 1 1 43 43 PRO C C 13 177.3 0.38 . 1 . . . . 43 PRO C . 18458 1 444 . 1 1 43 43 PRO CA C 13 63.85 0.57 . 1 . . . . 43 PRO CA . 18458 1 445 . 1 1 43 43 PRO CB C 13 31.64 0.35 . 1 . . . . 43 PRO CB . 18458 1 446 . 1 1 44 44 TYR H H 1 7.94 0.27 . 1 . . . . 44 TYR H . 18458 1 447 . 1 1 44 44 TYR HA H 1 4.28 0.19 . 1 . . . . 44 TYR HA . 18458 1 448 . 1 1 44 44 TYR HB2 H 1 3.07 0.06 . 2 . . . . 44 TYR HB2 . 18458 1 449 . 1 1 44 44 TYR HB3 H 1 3.02 0.09 . 2 . . . . 44 TYR HB3 . 18458 1 450 . 1 1 44 44 TYR C C 13 176.79 0.39 . 1 . . . . 44 TYR C . 18458 1 451 . 1 1 44 44 TYR CA C 13 59.95 0.73 . 1 . . . . 44 TYR CA . 18458 1 452 . 1 1 44 44 TYR CB C 13 38.15 0.49 . 1 . . . . 44 TYR CB . 18458 1 453 . 1 1 44 44 TYR N N 15 118.36 1.95 . 1 . . . . 44 TYR N . 18458 1 454 . 1 1 45 45 ASP H H 1 8.09 0.11 . 1 . . . . 45 ASP H . 18458 1 455 . 1 1 45 45 ASP HA H 1 4.44 0.09 . 1 . . . . 45 ASP HA . 18458 1 456 . 1 1 45 45 ASP HB2 H 1 2.91 0.1 . 2 . . . . 45 ASP HB2 . 18458 1 457 . 1 1 45 45 ASP HB3 H 1 2.8 0.16 . 2 . . . . 45 ASP HB3 . 18458 1 458 . 1 1 45 45 ASP C C 13 178.07 0.35 . 1 . . . . 45 ASP C . 18458 1 459 . 1 1 45 45 ASP CA C 13 56.62 0.42 . 1 . . . . 45 ASP CA . 18458 1 460 . 1 1 45 45 ASP CB C 13 40.78 0.73 . 1 . . . . 45 ASP CB . 18458 1 461 . 1 1 45 45 ASP N N 15 119.8 1.14 . 1 . . . . 45 ASP N . 18458 1 462 . 1 1 46 46 LYS H H 1 7.87 0.21 . 1 . . . . 46 LYS H . 18458 1 463 . 1 1 46 46 LYS HA H 1 3.9 0.09 . 1 . . . . 46 LYS HA . 18458 1 464 . 1 1 46 46 LYS HB2 H 1 2.0 0.05 . 2 . . . . 46 LYS HB2 . 18458 1 465 . 1 1 46 46 LYS HB3 H 1 2.06 0.03 . 2 . . . . 46 LYS HB3 . 18458 1 466 . 1 1 46 46 LYS HG2 H 1 1.61 0.07 . 2 . . . . 46 LYS HG2 . 18458 1 467 . 1 1 46 46 LYS HG3 H 1 1.47 0.09 . 2 . . . . 46 LYS HG3 . 18458 1 468 . 1 1 46 46 LYS HD2 H 1 1.39 0.11 . 2 . . . . 46 LYS HD2 . 18458 1 469 . 1 1 46 46 LYS HD3 H 1 1.64 0.11 . 2 . . . . 46 LYS HD3 . 18458 1 470 . 1 1 46 46 LYS HE2 H 1 2.92 0.1 . 2 . . . . 46 LYS HE2 . 18458 1 471 . 1 1 46 46 LYS HE3 H 1 2.96 0.08 . 2 . . . . 46 LYS HE3 . 18458 1 472 . 1 1 46 46 LYS C C 13 178.55 0.16 . 1 . . . . 46 LYS C . 18458 1 473 . 1 1 46 46 LYS CA C 13 60.16 0.34 . 1 . . . . 46 LYS CA . 18458 1 474 . 1 1 46 46 LYS CB C 13 32.13 0.17 . 1 . . . . 46 LYS CB . 18458 1 475 . 1 1 46 46 LYS N N 15 119.38 0.43 . 1 . . . . 46 LYS N . 18458 1 476 . 1 1 47 47 ASN H H 1 7.82 0.24 . 1 . . . . 47 ASN H . 18458 1 477 . 1 1 47 47 ASN HA H 1 4.26 0.09 . 1 . . . . 47 ASN HA . 18458 1 478 . 1 1 47 47 ASN HB2 H 1 2.64 0.22 . 2 . . . . 47 ASN HB2 . 18458 1 479 . 1 1 47 47 ASN HB3 H 1 2.81 0.33 . 2 . . . . 47 ASN HB3 . 18458 1 480 . 1 1 47 47 ASN HD21 H 1 7.03 0.17 . 2 . . . . 47 ASN HD21 . 18458 1 481 . 1 1 47 47 ASN HD22 H 1 8.0 0.59 . 2 . . . . 47 ASN HD22 . 18458 1 482 . 1 1 47 47 ASN C C 13 176.54 0.2 . 1 . . . . 47 ASN C . 18458 1 483 . 1 1 47 47 ASN CA C 13 56.05 0.22 . 1 . . . . 47 ASN CA . 18458 1 484 . 1 1 47 47 ASN CB C 13 39.04 0.23 . 1 . . . . 47 ASN CB . 18458 1 485 . 1 1 47 47 ASN N N 15 116.6 0.75 . 1 . . . . 47 ASN N . 18458 1 486 . 1 1 48 48 ALA H H 1 7.75 0.22 . 1 . . . . 48 ALA H . 18458 1 487 . 1 1 48 48 ALA HA H 1 4.1 0.08 . 1 . . . . 48 ALA HA . 18458 1 488 . 1 1 48 48 ALA HB1 H 1 1.34 0.07 . 1 . . . . 48 ALA MB . 18458 1 489 . 1 1 48 48 ALA HB2 H 1 1.34 0.07 . 1 . . . . 48 ALA MB . 18458 1 490 . 1 1 48 48 ALA HB3 H 1 1.34 0.07 . 1 . . . . 48 ALA MB . 18458 1 491 . 1 1 48 48 ALA C C 13 179.47 0.25 . 1 . . . . 48 ALA C . 18458 1 492 . 1 1 48 48 ALA CA C 13 55.21 0.17 . 1 . . . . 48 ALA CA . 18458 1 493 . 1 1 48 48 ALA CB C 13 18.46 0.09 . 1 . . . . 48 ALA CB . 18458 1 494 . 1 1 48 48 ALA N N 15 121.98 0.4 . 1 . . . . 48 ALA N . 18458 1 495 . 1 1 49 49 ILE H H 1 7.67 0.12 . 1 . . . . 49 ILE H . 18458 1 496 . 1 1 49 49 ILE HA H 1 3.82 0.1 . 1 . . . . 49 ILE HA . 18458 1 497 . 1 1 49 49 ILE HB H 1 1.83 0.04 . 1 . . . . 49 ILE HB . 18458 1 498 . 1 1 49 49 ILE HG12 H 1 1.58 0.11 . 2 . . . . 49 ILE HG12 . 18458 1 499 . 1 1 49 49 ILE HG13 H 1 0.63 0.04 . 2 . . . . 49 ILE HG13 . 18458 1 500 . 1 1 49 49 ILE HG21 H 1 0.96 0.04 . 1 . . . . 49 ILE MG . 18458 1 501 . 1 1 49 49 ILE HG22 H 1 0.96 0.04 . 1 . . . . 49 ILE MG . 18458 1 502 . 1 1 49 49 ILE HG23 H 1 0.96 0.04 . 1 . . . . 49 ILE MG . 18458 1 503 . 1 1 49 49 ILE HD11 H 1 0.83 0.02 . 1 . . . . 49 ILE MD . 18458 1 504 . 1 1 49 49 ILE HD12 H 1 0.83 0.02 . 1 . . . . 49 ILE MD . 18458 1 505 . 1 1 49 49 ILE HD13 H 1 0.83 0.02 . 1 . . . . 49 ILE MD . 18458 1 506 . 1 1 49 49 ILE C C 13 177.46 0.43 . 1 . . . . 49 ILE C . 18458 1 507 . 1 1 49 49 ILE CA C 13 63.08 0.47 . 1 . . . . 49 ILE CA . 18458 1 508 . 1 1 49 49 ILE CB C 13 37.86 0.2 . 1 . . . . 49 ILE CB . 18458 1 509 . 1 1 49 49 ILE N N 15 109.57 0.5 . 1 . . . . 49 ILE N . 18458 1 510 . 1 1 50 50 LYS H H 1 7.54 0.13 . 1 . . . . 50 LYS H . 18458 1 511 . 1 1 50 50 LYS HA H 1 4.23 0.11 . 1 . . . . 50 LYS HA . 18458 1 512 . 1 1 50 50 LYS HB2 H 1 1.87 0.07 . 2 . . . . 50 LYS HB2 . 18458 1 513 . 1 1 50 50 LYS HB3 H 1 1.98 0.09 . 2 . . . . 50 LYS HB3 . 18458 1 514 . 1 1 50 50 LYS HG2 H 1 1.43 0.05 . 2 . . . . 50 LYS HG2 . 18458 1 515 . 1 1 50 50 LYS HG3 H 1 1.42 0.07 . 2 . . . . 50 LYS HG3 . 18458 1 516 . 1 1 50 50 LYS HD2 H 1 1.75 0.09 . 2 . . . . 50 LYS HD2 . 18458 1 517 . 1 1 50 50 LYS HD3 H 1 1.74 0.04 . 2 . . . . 50 LYS HD3 . 18458 1 518 . 1 1 50 50 LYS HE2 H 1 3.06 0.04 . 2 . . . . 50 LYS HE2 . 18458 1 519 . 1 1 50 50 LYS HE3 H 1 2.96 0.05 . 2 . . . . 50 LYS HE3 . 18458 1 520 . 1 1 50 50 LYS C C 13 177.14 0.37 . 1 . . . . 50 LYS C . 18458 1 521 . 1 1 50 50 LYS CA C 13 56.71 1.04 . 1 . . . . 50 LYS CA . 18458 1 522 . 1 1 50 50 LYS CB C 13 32.44 0.41 . 1 . . . . 50 LYS CB . 18458 1 523 . 1 1 50 50 LYS N N 15 120.45 1.14 . 1 . . . . 50 LYS N . 18458 1 524 . 1 1 51 51 VAL H H 1 7.04 0.18 . 1 . . . . 51 VAL H . 18458 1 525 . 1 1 51 51 VAL HA H 1 3.63 0.08 . 1 . . . . 51 VAL HA . 18458 1 526 . 1 1 51 51 VAL HB H 1 2.12 0.04 . 1 . . . . 51 VAL HB . 18458 1 527 . 1 1 51 51 VAL HG11 H 1 0.8 0.08 . 2 . . . . 51 VAL MG1 . 18458 1 528 . 1 1 51 51 VAL HG12 H 1 0.8 0.08 . 2 . . . . 51 VAL MG1 . 18458 1 529 . 1 1 51 51 VAL HG13 H 1 0.8 0.08 . 2 . . . . 51 VAL MG1 . 18458 1 530 . 1 1 51 51 VAL HG21 H 1 0.93 0.02 . 2 . . . . 51 VAL MG2 . 18458 1 531 . 1 1 51 51 VAL HG22 H 1 0.93 0.02 . 2 . . . . 51 VAL MG2 . 18458 1 532 . 1 1 51 51 VAL HG23 H 1 0.93 0.02 . 2 . . . . 51 VAL MG2 . 18458 1 533 . 1 1 51 51 VAL C C 13 175.61 0.28 . 1 . . . . 51 VAL C . 18458 1 534 . 1 1 51 51 VAL CA C 13 62.11 0.28 . 1 . . . . 51 VAL CA . 18458 1 535 . 1 1 51 51 VAL CB C 13 31.56 0.24 . 1 . . . . 51 VAL CB . 18458 1 536 . 1 1 51 51 VAL N N 15 118.88 0.87 . 1 . . . . 51 VAL N . 18458 1 537 . 1 1 52 52 ASN H H 1 8.39 0.11 . 1 . . . . 52 ASN H . 18458 1 538 . 1 1 52 52 ASN HA H 1 4.76 0.11 . 1 . . . . 52 ASN HA . 18458 1 539 . 1 1 52 52 ASN HB2 H 1 2.78 0.07 . 2 . . . . 52 ASN HB2 . 18458 1 540 . 1 1 52 52 ASN HB3 H 1 2.81 0.07 . 2 . . . . 52 ASN HB3 . 18458 1 541 . 1 1 52 52 ASN HD21 H 1 6.72 0.46 . 2 . . . . 52 ASN HD21 . 18458 1 542 . 1 1 52 52 ASN HD22 H 1 7.84 0.39 . 2 . . . . 52 ASN HD22 . 18458 1 543 . 1 1 52 52 ASN C C 13 174.44 0.36 . 1 . . . . 52 ASN C . 18458 1 544 . 1 1 52 52 ASN CA C 13 51.78 0.48 . 1 . . . . 52 ASN CA . 18458 1 545 . 1 1 52 52 ASN CB C 13 39.6 0.74 . 1 . . . . 52 ASN CB . 18458 1 546 . 1 1 52 52 ASN N N 15 120.72 1.39 . 1 . . . . 52 ASN N . 18458 1 547 . 1 1 53 53 ASN H H 1 8.33 0.07 . 1 . . . . 53 ASN H . 18458 1 548 . 1 1 53 53 ASN HA H 1 4.63 0.07 . 1 . . . . 53 ASN HA . 18458 1 549 . 1 1 53 53 ASN HB2 H 1 2.81 0.07 . 2 . . . . 53 ASN HB2 . 18458 1 550 . 1 1 53 53 ASN HB3 H 1 2.73 0.04 . 2 . . . . 53 ASN HB3 . 18458 1 551 . 1 1 53 53 ASN HD21 H 1 6.76 0.23 . 2 . . . . 53 ASN HD21 . 18458 1 552 . 1 1 53 53 ASN HD22 H 1 7.66 0.03 . 2 . . . . 53 ASN HD22 . 18458 1 553 . 1 1 53 53 ASN C C 13 176.8 0.26 . 1 . . . . 53 ASN C . 18458 1 554 . 1 1 53 53 ASN CA C 13 52.86 0.21 . 1 . . . . 53 ASN CA . 18458 1 555 . 1 1 53 53 ASN CB C 13 39.54 0.24 . 1 . . . . 53 ASN CB . 18458 1 556 . 1 1 53 53 ASN N N 15 117.4 1.28 . 1 . . . . 53 ASN N . 18458 1 557 . 1 1 54 54 VAL H H 1 8.4 0.08 . 1 . . . . 54 VAL H . 18458 1 558 . 1 1 54 54 VAL HA H 1 3.65 0.16 . 1 . . . . 54 VAL HA . 18458 1 559 . 1 1 54 54 VAL HB H 1 2.05 0.11 . 1 . . . . 54 VAL HB . 18458 1 560 . 1 1 54 54 VAL HG11 H 1 0.79 0.1 . 2 . . . . 54 VAL MG1 . 18458 1 561 . 1 1 54 54 VAL HG12 H 1 0.79 0.1 . 2 . . . . 54 VAL MG1 . 18458 1 562 . 1 1 54 54 VAL HG13 H 1 0.79 0.1 . 2 . . . . 54 VAL MG1 . 18458 1 563 . 1 1 54 54 VAL HG21 H 1 0.88 0.29 . 2 . . . . 54 VAL MG2 . 18458 1 564 . 1 1 54 54 VAL HG22 H 1 0.88 0.29 . 2 . . . . 54 VAL MG2 . 18458 1 565 . 1 1 54 54 VAL HG23 H 1 0.88 0.29 . 2 . . . . 54 VAL MG2 . 18458 1 566 . 1 1 54 54 VAL C C 13 177.34 0.39 . 1 . . . . 54 VAL C . 18458 1 567 . 1 1 54 54 VAL CA C 13 64.66 0.42 . 1 . . . . 54 VAL CA . 18458 1 568 . 1 1 54 54 VAL CB C 13 31.68 0.15 . 1 . . . . 54 VAL CB . 18458 1 569 . 1 1 54 54 VAL N N 15 121.63 0.75 . 1 . . . . 54 VAL N . 18458 1 570 . 1 1 55 55 ASN H H 1 7.95 0.14 . 1 . . . . 55 ASN H . 18458 1 571 . 1 1 55 55 ASN HA H 1 4.6 0.25 . 1 . . . . 55 ASN HA . 18458 1 572 . 1 1 55 55 ASN HB2 H 1 2.8 0.11 . 2 . . . . 55 ASN HB2 . 18458 1 573 . 1 1 55 55 ASN HB3 H 1 2.96 0.12 . 2 . . . . 55 ASN HB3 . 18458 1 574 . 1 1 55 55 ASN HD21 H 1 6.34 0.47 . 2 . . . . 55 ASN HD21 . 18458 1 575 . 1 1 55 55 ASN HD22 H 1 7.32 0.42 . 2 . . . . 55 ASN HD22 . 18458 1 576 . 1 1 55 55 ASN C C 13 176.69 0.32 . 1 . . . . 55 ASN C . 18458 1 577 . 1 1 55 55 ASN CA C 13 53.75 1.1 . 1 . . . . 55 ASN CA . 18458 1 578 . 1 1 55 55 ASN CB C 13 38.58 0.61 . 1 . . . . 55 ASN CB . 18458 1 579 . 1 1 55 55 ASN N N 15 115.85 1.22 . 1 . . . . 55 ASN N . 18458 1 580 . 1 1 56 56 GLY H H 1 7.79 0.26 . 1 . . . . 56 GLY H . 18458 1 581 . 1 1 56 56 GLY HA2 H 1 3.93 0.04 . 2 . . . . 56 GLY HA2 . 18458 1 582 . 1 1 56 56 GLY HA3 H 1 3.96 0.09 . 2 . . . . 56 GLY HA3 . 18458 1 583 . 1 1 56 56 GLY C C 13 173.72 0.85 . 1 . . . . 56 GLY C . 18458 1 584 . 1 1 56 56 GLY CA C 13 46.88 0.98 . 1 . . . . 56 GLY CA . 18458 1 585 . 1 1 56 56 GLY N N 15 107.19 0.68 . 1 . . . . 56 GLY N . 18458 1 586 . 1 1 57 57 ASN H H 1 8.09 0.22 . 1 . . . . 57 ASN H . 18458 1 587 . 1 1 57 57 ASN HA H 1 4.5 0.19 . 1 . . . . 57 ASN HA . 18458 1 588 . 1 1 57 57 ASN HB2 H 1 2.91 0.09 . 2 . . . . 57 ASN HB2 . 18458 1 589 . 1 1 57 57 ASN HB3 H 1 2.91 0.08 . 2 . . . . 57 ASN HB3 . 18458 1 590 . 1 1 57 57 ASN HD21 H 1 6.85 0.23 . 2 . . . . 57 ASN HD21 . 18458 1 591 . 1 1 57 57 ASN HD22 H 1 7.02 0.41 . 2 . . . . 57 ASN HD22 . 18458 1 592 . 1 1 57 57 ASN C C 13 176.08 0.48 . 1 . . . . 57 ASN C . 18458 1 593 . 1 1 57 57 ASN CA C 13 54.04 0.72 . 1 . . . . 57 ASN CA . 18458 1 594 . 1 1 57 57 ASN CB C 13 38.36 0.94 . 1 . . . . 57 ASN CB . 18458 1 595 . 1 1 57 57 ASN N N 15 120.87 3.17 . 1 . . . . 57 ASN N . 18458 1 596 . 1 1 58 58 GLN H H 1 7.72 0.17 . 1 . . . . 58 GLN H . 18458 1 597 . 1 1 58 58 GLN HA H 1 4.16 0.11 . 1 . . . . 58 GLN HA . 18458 1 598 . 1 1 58 58 GLN HB2 H 1 2.18 0.09 . 2 . . . . 58 GLN HB2 . 18458 1 599 . 1 1 58 58 GLN HB3 H 1 2.17 0.19 . 2 . . . . 58 GLN HB3 . 18458 1 600 . 1 1 58 58 GLN HG2 H 1 2.43 0.1 . 2 . . . . 58 GLN HG2 . 18458 1 601 . 1 1 58 58 GLN HG3 H 1 2.46 0.14 . 2 . . . . 58 GLN HG3 . 18458 1 602 . 1 1 58 58 GLN HE21 H 1 7.57 0.61 . 2 . . . . 58 GLN HE21 . 18458 1 603 . 1 1 58 58 GLN HE22 H 1 6.74 0.22 . 2 . . . . 58 GLN HE22 . 18458 1 604 . 1 1 58 58 GLN C C 13 178.37 0.54 . 1 . . . . 58 GLN C . 18458 1 605 . 1 1 58 58 GLN CA C 13 58.05 0.85 . 1 . . . . 58 GLN CA . 18458 1 606 . 1 1 58 58 GLN CB C 13 28.95 0.48 . 1 . . . . 58 GLN CB . 18458 1 607 . 1 1 58 58 GLN N N 15 115.71 1.53 . 1 . . . . 58 GLN N . 18458 1 608 . 1 1 59 59 VAL H H 1 7.8 0.17 . 1 . . . . 59 VAL H . 18458 1 609 . 1 1 59 59 VAL HA H 1 3.79 0.17 . 1 . . . . 59 VAL HA . 18458 1 610 . 1 1 59 59 VAL HB H 1 2.09 0.04 . 1 . . . . 59 VAL HB . 18458 1 611 . 1 1 59 59 VAL HG11 H 1 0.81 0.06 . 2 . . . . 59 VAL MG1 . 18458 1 612 . 1 1 59 59 VAL HG12 H 1 0.81 0.06 . 2 . . . . 59 VAL MG1 . 18458 1 613 . 1 1 59 59 VAL HG13 H 1 0.81 0.06 . 2 . . . . 59 VAL MG1 . 18458 1 614 . 1 1 59 59 VAL HG21 H 1 0.98 0.04 . 2 . . . . 59 VAL MG2 . 18458 1 615 . 1 1 59 59 VAL HG22 H 1 0.98 0.04 . 2 . . . . 59 VAL MG2 . 18458 1 616 . 1 1 59 59 VAL HG23 H 1 0.98 0.04 . 2 . . . . 59 VAL MG2 . 18458 1 617 . 1 1 59 59 VAL C C 13 178.05 0.16 . 1 . . . . 59 VAL C . 18458 1 618 . 1 1 59 59 VAL CA C 13 64.14 0.66 . 1 . . . . 59 VAL CA . 18458 1 619 . 1 1 59 59 VAL CB C 13 31.32 0.35 . 1 . . . . 59 VAL CB . 18458 1 620 . 1 1 59 59 VAL N N 15 113.11 1.61 . 1 . . . . 59 VAL N . 18458 1 621 . 1 1 60 60 GLY H H 1 7.88 0.3 . 1 . . . . 60 GLY H . 18458 1 622 . 1 1 60 60 GLY HA2 H 1 3.95 0.04 . 2 . . . . 60 GLY HA2 . 18458 1 623 . 1 1 60 60 GLY HA3 H 1 3.96 0.04 . 2 . . . . 60 GLY HA3 . 18458 1 624 . 1 1 60 60 GLY C C 13 175.09 0.2 . 1 . . . . 60 GLY C . 18458 1 625 . 1 1 60 60 GLY CA C 13 48.16 0.57 . 1 . . . . 60 GLY CA . 18458 1 626 . 1 1 60 60 GLY N N 15 105.31 1.06 . 1 . . . . 60 GLY N . 18458 1 627 . 1 1 61 61 HIS H H 1 7.97 0.23 . 1 . . . . 61 HIS H . 18458 1 628 . 1 1 61 61 HIS HA H 1 4.25 0.12 . 1 . . . . 61 HIS HA . 18458 1 629 . 1 1 61 61 HIS HB2 H 1 3.13 0.07 . 2 . . . . 61 HIS HB2 . 18458 1 630 . 1 1 61 61 HIS HB3 H 1 3.38 0.05 . 2 . . . . 61 HIS HB3 . 18458 1 631 . 1 1 61 61 HIS HD2 H 1 5.71 0.08 . 1 . . . . 61 HIS HD2 . 18458 1 632 . 1 1 61 61 HIS HE1 H 1 7.0 0.05 . 1 . . . . 61 HIS HE1 . 18458 1 633 . 1 1 61 61 HIS C C 13 176.93 0.44 . 1 . . . . 61 HIS C . 18458 1 634 . 1 1 61 61 HIS CA C 13 58.55 0.46 . 1 . . . . 61 HIS CA . 18458 1 635 . 1 1 61 61 HIS CB C 13 29.18 0.43 . 1 . . . . 61 HIS CB . 18458 1 636 . 1 1 61 61 HIS N N 15 117.49 0.93 . 1 . . . . 61 HIS N . 18458 1 637 . 1 1 62 62 LEU H H 1 7.8 0.13 . 1 . . . . 62 LEU H . 18458 1 638 . 1 1 62 62 LEU HA H 1 4.32 0.24 . 1 . . . . 62 LEU HA . 18458 1 639 . 1 1 62 62 LEU HB2 H 1 1.76 0.06 . 2 . . . . 62 LEU HB2 . 18458 1 640 . 1 1 62 62 LEU HB3 H 1 1.7 0.1 . 2 . . . . 62 LEU HB3 . 18458 1 641 . 1 1 62 62 LEU HG H 1 1.67 0.15 . 1 . . . . 62 LEU HG . 18458 1 642 . 1 1 62 62 LEU HD11 H 1 0.96 0.08 . 2 . . . . 62 LEU MD1 . 18458 1 643 . 1 1 62 62 LEU HD12 H 1 0.96 0.08 . 2 . . . . 62 LEU MD1 . 18458 1 644 . 1 1 62 62 LEU HD13 H 1 0.96 0.08 . 2 . . . . 62 LEU MD1 . 18458 1 645 . 1 1 62 62 LEU HD21 H 1 0.68 0.19 . 2 . . . . 62 LEU MD2 . 18458 1 646 . 1 1 62 62 LEU HD22 H 1 0.68 0.19 . 2 . . . . 62 LEU MD2 . 18458 1 647 . 1 1 62 62 LEU HD23 H 1 0.68 0.19 . 2 . . . . 62 LEU MD2 . 18458 1 648 . 1 1 62 62 LEU C C 13 178.28 0.34 . 1 . . . . 62 LEU C . 18458 1 649 . 1 1 62 62 LEU CA C 13 56.6 1.17 . 1 . . . . 62 LEU CA . 18458 1 650 . 1 1 62 62 LEU CB C 13 42.4 0.48 . 1 . . . . 62 LEU CB . 18458 1 651 . 1 1 62 62 LEU N N 15 120.82 1.24 . 1 . . . . 62 LEU N . 18458 1 652 . 1 1 63 63 LYS H H 1 8.17 0.18 . 1 . . . . 63 LYS H . 18458 1 653 . 1 1 63 63 LYS HA H 1 3.99 0.08 . 1 . . . . 63 LYS HA . 18458 1 654 . 1 1 63 63 LYS HB2 H 1 1.94 0.07 . 2 . . . . 63 LYS HB2 . 18458 1 655 . 1 1 63 63 LYS HB3 H 1 1.84 0.07 . 2 . . . . 63 LYS HB3 . 18458 1 656 . 1 1 63 63 LYS HG2 H 1 1.48 0.09 . 2 . . . . 63 LYS HG2 . 18458 1 657 . 1 1 63 63 LYS HG3 H 1 1.5 0.11 . 2 . . . . 63 LYS HG3 . 18458 1 658 . 1 1 63 63 LYS HD2 H 1 1.71 0.11 . 2 . . . . 63 LYS HD2 . 18458 1 659 . 1 1 63 63 LYS HD3 H 1 1.63 0.12 . 2 . . . . 63 LYS HD3 . 18458 1 660 . 1 1 63 63 LYS HE2 H 1 2.97 0.1 . 2 . . . . 63 LYS HE2 . 18458 1 661 . 1 1 63 63 LYS HE3 H 1 2.93 0.07 . 2 . . . . 63 LYS HE3 . 18458 1 662 . 1 1 63 63 LYS C C 13 178.74 0.34 . 1 . . . . 63 LYS C . 18458 1 663 . 1 1 63 63 LYS CA C 13 58.81 0.56 . 1 . . . . 63 LYS CA . 18458 1 664 . 1 1 63 63 LYS CB C 13 31.8 0.25 . 1 . . . . 63 LYS CB . 18458 1 665 . 1 1 63 63 LYS N N 15 119.15 0.85 . 1 . . . . 63 LYS N . 18458 1 666 . 1 1 64 64 LYS H H 1 7.8 0.18 . 1 . . . . 64 LYS H . 18458 1 667 . 1 1 64 64 LYS HA H 1 3.9 0.06 . 1 . . . . 64 LYS HA . 18458 1 668 . 1 1 64 64 LYS HB2 H 1 1.9 0.11 . 2 . . . . 64 LYS HB2 . 18458 1 669 . 1 1 64 64 LYS HB3 H 1 1.87 0.12 . 2 . . . . 64 LYS HB3 . 18458 1 670 . 1 1 64 64 LYS HG2 H 1 1.44 0.05 . 2 . . . . 64 LYS HG2 . 18458 1 671 . 1 1 64 64 LYS HG3 H 1 1.56 0.08 . 2 . . . . 64 LYS HG3 . 18458 1 672 . 1 1 64 64 LYS HD2 H 1 1.61 0.16 . 2 . . . . 64 LYS HD2 . 18458 1 673 . 1 1 64 64 LYS HD3 H 1 1.68 0.14 . 2 . . . . 64 LYS HD3 . 18458 1 674 . 1 1 64 64 LYS HE2 H 1 2.94 0.13 . 2 . . . . 64 LYS HE2 . 18458 1 675 . 1 1 64 64 LYS HE3 H 1 2.97 0.1 . 2 . . . . 64 LYS HE3 . 18458 1 676 . 1 1 64 64 LYS C C 13 178.51 0.28 . 1 . . . . 64 LYS C . 18458 1 677 . 1 1 64 64 LYS CA C 13 59.64 0.2 . 1 . . . . 64 LYS CA . 18458 1 678 . 1 1 64 64 LYS CB C 13 32.21 0.26 . 1 . . . . 64 LYS CB . 18458 1 679 . 1 1 64 64 LYS N N 15 120.07 0.68 . 1 . . . . 64 LYS N . 18458 1 680 . 1 1 65 65 GLU H H 1 8.04 0.1 . 1 . . . . 65 GLU H . 18458 1 681 . 1 1 65 65 GLU HA H 1 3.99 0.14 . 1 . . . . 65 GLU HA . 18458 1 682 . 1 1 65 65 GLU HB2 H 1 2.16 0.11 . 2 . . . . 65 GLU HB2 . 18458 1 683 . 1 1 65 65 GLU HB3 H 1 2.14 0.1 . 2 . . . . 65 GLU HB3 . 18458 1 684 . 1 1 65 65 GLU HG2 H 1 2.42 0.11 . 2 . . . . 65 GLU HG2 . 18458 1 685 . 1 1 65 65 GLU HG3 H 1 2.47 0.13 . 2 . . . . 65 GLU HG3 . 18458 1 686 . 1 1 65 65 GLU C C 13 178.78 0.27 . 1 . . . . 65 GLU C . 18458 1 687 . 1 1 65 65 GLU CA C 13 59.1 0.38 . 1 . . . . 65 GLU CA . 18458 1 688 . 1 1 65 65 GLU CB C 13 29.62 0.13 . 1 . . . . 65 GLU CB . 18458 1 689 . 1 1 65 65 GLU N N 15 118.15 1.01 . 1 . . . . 65 GLU N . 18458 1 690 . 1 1 66 66 LEU H H 1 8.09 0.14 . 1 . . . . 66 LEU H . 18458 1 691 . 1 1 66 66 LEU HA H 1 3.87 0.1 . 1 . . . . 66 LEU HA . 18458 1 692 . 1 1 66 66 LEU HB2 H 1 1.74 0.08 . 2 . . . . 66 LEU HB2 . 18458 1 693 . 1 1 66 66 LEU HB3 H 1 1.59 0.08 . 2 . . . . 66 LEU HB3 . 18458 1 694 . 1 1 66 66 LEU HG H 1 1.66 0.11 . 1 . . . . 66 LEU HG . 18458 1 695 . 1 1 66 66 LEU HD11 H 1 0.88 0.13 . 2 . . . . 66 LEU MD1 . 18458 1 696 . 1 1 66 66 LEU HD12 H 1 0.88 0.13 . 2 . . . . 66 LEU MD1 . 18458 1 697 . 1 1 66 66 LEU HD13 H 1 0.88 0.13 . 2 . . . . 66 LEU MD1 . 18458 1 698 . 1 1 66 66 LEU HD21 H 1 0.29 0.27 . 2 . . . . 66 LEU MD2 . 18458 1 699 . 1 1 66 66 LEU HD22 H 1 0.29 0.27 . 2 . . . . 66 LEU MD2 . 18458 1 700 . 1 1 66 66 LEU HD23 H 1 0.29 0.27 . 2 . . . . 66 LEU MD2 . 18458 1 701 . 1 1 66 66 LEU C C 13 179.21 0.17 . 1 . . . . 66 LEU C . 18458 1 702 . 1 1 66 66 LEU CA C 13 57.28 0.28 . 1 . . . . 66 LEU CA . 18458 1 703 . 1 1 66 66 LEU CB C 13 41.46 0.13 . 1 . . . . 66 LEU CB . 18458 1 704 . 1 1 66 66 LEU N N 15 119.5 0.78 . 1 . . . . 66 LEU N . 18458 1 705 . 1 1 67 67 ALA H H 1 7.99 0.11 . 1 . . . . 67 ALA H . 18458 1 706 . 1 1 67 67 ALA HA H 1 4.03 0.03 . 1 . . . . 67 ALA HA . 18458 1 707 . 1 1 67 67 ALA HB1 H 1 1.36 0.02 . 1 . . . . 67 ALA MB . 18458 1 708 . 1 1 67 67 ALA HB2 H 1 1.36 0.02 . 1 . . . . 67 ALA MB . 18458 1 709 . 1 1 67 67 ALA HB3 H 1 1.36 0.02 . 1 . . . . 67 ALA MB . 18458 1 710 . 1 1 67 67 ALA C C 13 179.98 0.05 . 1 . . . . 67 ALA C . 18458 1 711 . 1 1 67 67 ALA CA C 13 55.16 0.11 . 1 . . . . 67 ALA CA . 18458 1 712 . 1 1 67 67 ALA CB C 13 18.18 0.15 . 1 . . . . 67 ALA CB . 18458 1 713 . 1 1 67 67 ALA N N 15 121.1 0.26 . 1 . . . . 67 ALA N . 18458 1 714 . 1 1 68 68 GLY H H 1 7.65 0.13 . 1 . . . . 68 GLY H . 18458 1 715 . 1 1 68 68 GLY HA2 H 1 3.75 0.16 . 2 . . . . 68 GLY HA2 . 18458 1 716 . 1 1 68 68 GLY HA3 H 1 3.89 0.05 . 2 . . . . 68 GLY HA3 . 18458 1 717 . 1 1 68 68 GLY C C 13 175.88 0.1 . 1 . . . . 68 GLY C . 18458 1 718 . 1 1 68 68 GLY CA C 13 47.7 0.15 . 1 . . . . 68 GLY CA . 18458 1 719 . 1 1 68 68 GLY N N 15 103.22 0.54 . 1 . . . . 68 GLY N . 18458 1 720 . 1 1 69 69 ALA H H 1 7.82 0.15 . 1 . . . . 69 ALA H . 18458 1 721 . 1 1 69 69 ALA HA H 1 4.24 0.27 . 1 . . . . 69 ALA HA . 18458 1 722 . 1 1 69 69 ALA HB1 H 1 1.38 0.09 . 1 . . . . 69 ALA MB . 18458 1 723 . 1 1 69 69 ALA HB2 H 1 1.38 0.09 . 1 . . . . 69 ALA MB . 18458 1 724 . 1 1 69 69 ALA HB3 H 1 1.38 0.09 . 1 . . . . 69 ALA MB . 18458 1 725 . 1 1 69 69 ALA C C 13 179.75 0.15 . 1 . . . . 69 ALA C . 18458 1 726 . 1 1 69 69 ALA CA C 13 54.56 0.28 . 1 . . . . 69 ALA CA . 18458 1 727 . 1 1 69 69 ALA CB C 13 18.42 0.07 . 1 . . . . 69 ALA CB . 18458 1 728 . 1 1 69 69 ALA N N 15 124.47 0.68 . 1 . . . . 69 ALA N . 18458 1 729 . 1 1 70 70 LEU H H 1 8.17 0.13 . 1 . . . . 70 LEU H . 18458 1 730 . 1 1 70 70 LEU HA H 1 3.97 0.09 . 1 . . . . 70 LEU HA . 18458 1 731 . 1 1 70 70 LEU HB2 H 1 1.87 0.06 . 2 . . . . 70 LEU HB2 . 18458 1 732 . 1 1 70 70 LEU HB3 H 1 1.68 0.05 . 2 . . . . 70 LEU HB3 . 18458 1 733 . 1 1 70 70 LEU HG H 1 1.6 0.11 . 1 . . . . 70 LEU HG . 18458 1 734 . 1 1 70 70 LEU HD11 H 1 0.7 0.14 . 2 . . . . 70 LEU MD1 . 18458 1 735 . 1 1 70 70 LEU HD12 H 1 0.7 0.14 . 2 . . . . 70 LEU MD1 . 18458 1 736 . 1 1 70 70 LEU HD13 H 1 0.7 0.14 . 2 . . . . 70 LEU MD1 . 18458 1 737 . 1 1 70 70 LEU HD21 H 1 0.69 0.3 . 2 . . . . 70 LEU MD2 . 18458 1 738 . 1 1 70 70 LEU HD22 H 1 0.69 0.3 . 2 . . . . 70 LEU MD2 . 18458 1 739 . 1 1 70 70 LEU HD23 H 1 0.69 0.3 . 2 . . . . 70 LEU MD2 . 18458 1 740 . 1 1 70 70 LEU C C 13 179.36 0.14 . 1 . . . . 70 LEU C . 18458 1 741 . 1 1 70 70 LEU CA C 13 57.36 0.37 . 1 . . . . 70 LEU CA . 18458 1 742 . 1 1 70 70 LEU CB C 13 41.39 0.21 . 1 . . . . 70 LEU CB . 18458 1 743 . 1 1 70 70 LEU N N 15 117.31 0.42 . 1 . . . . 70 LEU N . 18458 1 744 . 1 1 71 71 ALA H H 1 7.58 0.06 . 1 . . . . 71 ALA H . 18458 1 745 . 1 1 71 71 ALA HA H 1 3.98 0.06 . 1 . . . . 71 ALA HA . 18458 1 746 . 1 1 71 71 ALA HB1 H 1 1.4 0.03 . 1 . . . . 71 ALA MB . 18458 1 747 . 1 1 71 71 ALA HB2 H 1 1.4 0.03 . 1 . . . . 71 ALA MB . 18458 1 748 . 1 1 71 71 ALA HB3 H 1 1.4 0.03 . 1 . . . . 71 ALA MB . 18458 1 749 . 1 1 71 71 ALA C C 13 178.89 0.09 . 1 . . . . 71 ALA C . 18458 1 750 . 1 1 71 71 ALA CA C 13 55.32 0.2 . 1 . . . . 71 ALA CA . 18458 1 751 . 1 1 71 71 ALA CB C 13 18.43 0.19 . 1 . . . . 71 ALA CB . 18458 1 752 . 1 1 71 71 ALA N N 15 120.61 0.69 . 1 . . . . 71 ALA N . 18458 1 753 . 1 1 72 72 TYR H H 1 7.78 0.08 . 1 . . . . 72 TYR H . 18458 1 754 . 1 1 72 72 TYR HA H 1 4.11 0.13 . 1 . . . . 72 TYR HA . 18458 1 755 . 1 1 72 72 TYR HB2 H 1 3.01 0.05 . 2 . . . . 72 TYR HB2 . 18458 1 756 . 1 1 72 72 TYR HB3 H 1 3.14 0.05 . 2 . . . . 72 TYR HB3 . 18458 1 757 . 1 1 72 72 TYR C C 13 178.13 0.27 . 1 . . . . 72 TYR C . 18458 1 758 . 1 1 72 72 TYR CA C 13 61.03 0.13 . 1 . . . . 72 TYR CA . 18458 1 759 . 1 1 72 72 TYR CB C 13 38.75 0.14 . 1 . . . . 72 TYR CB . 18458 1 760 . 1 1 72 72 TYR N N 15 117.58 0.39 . 1 . . . . 72 TYR N . 18458 1 761 . 1 1 73 73 ILE H H 1 8.02 0.1 . 1 . . . . 73 ILE H . 18458 1 762 . 1 1 73 73 ILE HA H 1 3.47 0.12 . 1 . . . . 73 ILE HA . 18458 1 763 . 1 1 73 73 ILE HB H 1 1.89 0.09 . 1 . . . . 73 ILE HB . 18458 1 764 . 1 1 73 73 ILE HG12 H 1 1.54 0.06 . 2 . . . . 73 ILE HG12 . 18458 1 765 . 1 1 73 73 ILE HG13 H 1 1.15 0.23 . 2 . . . . 73 ILE HG13 . 18458 1 766 . 1 1 73 73 ILE HG21 H 1 0.94 0.07 . 1 . . . . 73 ILE MG . 18458 1 767 . 1 1 73 73 ILE HG22 H 1 0.94 0.07 . 1 . . . . 73 ILE MG . 18458 1 768 . 1 1 73 73 ILE HG23 H 1 0.94 0.07 . 1 . . . . 73 ILE MG . 18458 1 769 . 1 1 73 73 ILE HD11 H 1 0.88 0.15 . 1 . . . . 73 ILE MD . 18458 1 770 . 1 1 73 73 ILE HD12 H 1 0.88 0.15 . 1 . . . . 73 ILE MD . 18458 1 771 . 1 1 73 73 ILE HD13 H 1 0.88 0.15 . 1 . . . . 73 ILE MD . 18458 1 772 . 1 1 73 73 ILE C C 13 178.41 0.1 . 1 . . . . 73 ILE C . 18458 1 773 . 1 1 73 73 ILE CA C 13 64.33 0.2 . 1 . . . . 73 ILE CA . 18458 1 774 . 1 1 73 73 ILE CB C 13 37.02 0.2 . 1 . . . . 73 ILE CB . 18458 1 775 . 1 1 73 73 ILE N N 15 120.94 0.33 . 1 . . . . 73 ILE N . 18458 1 776 . 1 1 74 74 MET H H 1 8.05 0.16 . 1 . . . . 74 MET H . 18458 1 777 . 1 1 74 74 MET HA H 1 4.07 0.04 . 1 . . . . 74 MET HA . 18458 1 778 . 1 1 74 74 MET HB2 H 1 2.01 0.08 . 2 . . . . 74 MET HB2 . 18458 1 779 . 1 1 74 74 MET HB3 H 1 2.17 0.06 . 2 . . . . 74 MET HB3 . 18458 1 780 . 1 1 74 74 MET HG2 H 1 2.79 0.14 . 2 . . . . 74 MET HG2 . 18458 1 781 . 1 1 74 74 MET HG3 H 1 2.82 0.08 . 2 . . . . 74 MET HG3 . 18458 1 782 . 1 1 74 74 MET HE1 H 1 0.34 0.08 . 1 . . . . 74 MET ME . 18458 1 783 . 1 1 74 74 MET HE2 H 1 0.34 0.08 . 1 . . . . 74 MET ME . 18458 1 784 . 1 1 74 74 MET HE3 H 1 0.34 0.08 . 1 . . . . 74 MET ME . 18458 1 785 . 1 1 74 74 MET C C 13 177.86 0.44 . 1 . . . . 74 MET C . 18458 1 786 . 1 1 74 74 MET CA C 13 58.13 0.45 . 1 . . . . 74 MET CA . 18458 1 787 . 1 1 74 74 MET CB C 13 31.81 0.28 . 1 . . . . 74 MET CB . 18458 1 788 . 1 1 74 74 MET N N 15 119.19 0.46 . 1 . . . . 74 MET N . 18458 1 789 . 1 1 75 75 ASP H H 1 7.7 0.4 . 1 . . . . 75 ASP H . 18458 1 790 . 1 1 75 75 ASP HA H 1 4.43 0.12 . 1 . . . . 75 ASP HA . 18458 1 791 . 1 1 75 75 ASP HB2 H 1 2.61 0.1 . 2 . . . . 75 ASP HB2 . 18458 1 792 . 1 1 75 75 ASP HB3 H 1 2.71 0.07 . 2 . . . . 75 ASP HB3 . 18458 1 793 . 1 1 75 75 ASP C C 13 176.91 0.47 . 1 . . . . 75 ASP C . 18458 1 794 . 1 1 75 75 ASP CA C 13 57.01 0.33 . 1 . . . . 75 ASP CA . 18458 1 795 . 1 1 75 75 ASP CB C 13 41.72 0.28 . 1 . . . . 75 ASP CB . 18458 1 796 . 1 1 75 75 ASP N N 15 117.12 1.2 . 1 . . . . 75 ASP N . 18458 1 797 . 1 1 76 76 ASN H H 1 8.16 0.14 . 1 . . . . 76 ASN H . 18458 1 798 . 1 1 76 76 ASN HA H 1 4.65 0.08 . 1 . . . . 76 ASN HA . 18458 1 799 . 1 1 76 76 ASN HB2 H 1 2.23 0.15 . 2 . . . . 76 ASN HB2 . 18458 1 800 . 1 1 76 76 ASN HB3 H 1 2.48 0.08 . 2 . . . . 76 ASN HB3 . 18458 1 801 . 1 1 76 76 ASN HD21 H 1 6.52 0.2 . 2 . . . . 76 ASN HD21 . 18458 1 802 . 1 1 76 76 ASN HD22 H 1 7.23 0.67 . 2 . . . . 76 ASN HD22 . 18458 1 803 . 1 1 76 76 ASN C C 13 177.95 0.12 . 1 . . . . 76 ASN C . 18458 1 804 . 1 1 76 76 ASN CA C 13 56.97 0.29 . 1 . . . . 76 ASN CA . 18458 1 805 . 1 1 76 76 ASN CB C 13 38.79 0.33 . 1 . . . . 76 ASN CB . 18458 1 806 . 1 1 76 76 ASN N N 15 115.8 0.41 . 1 . . . . 76 ASN N . 18458 1 807 . 1 1 77 77 LYS H H 1 7.29 0.08 . 1 . . . . 77 LYS H . 18458 1 808 . 1 1 77 77 LYS HA H 1 4.81 0.1 . 1 . . . . 77 LYS HA . 18458 1 809 . 1 1 77 77 LYS HB2 H 1 1.79 0.03 . 2 . . . . 77 LYS HB2 . 18458 1 810 . 1 1 77 77 LYS HB3 H 1 1.78 0.02 . 2 . . . . 77 LYS HB3 . 18458 1 811 . 1 1 77 77 LYS HG2 H 1 1.49 0.05 . 2 . . . . 77 LYS HG2 . 18458 1 812 . 1 1 77 77 LYS HG3 H 1 1.5 0.14 . 2 . . . . 77 LYS HG3 . 18458 1 813 . 1 1 77 77 LYS HD2 H 1 1.98 0.18 . 2 . . . . 77 LYS HD2 . 18458 1 814 . 1 1 77 77 LYS HD3 H 1 1.6 0.53 . 2 . . . . 77 LYS HD3 . 18458 1 815 . 1 1 77 77 LYS HE2 H 1 2.93 0.08 . 2 . . . . 77 LYS HE2 . 18458 1 816 . 1 1 77 77 LYS HE3 H 1 3.09 0.07 . 2 . . . . 77 LYS HE3 . 18458 1 817 . 1 1 77 77 LYS C C 13 177.4 0.32 . 1 . . . . 77 LYS C . 18458 1 818 . 1 1 77 77 LYS CA C 13 60.14 0.56 . 1 . . . . 77 LYS CA . 18458 1 819 . 1 1 77 77 LYS CB C 13 31.48 0.16 . 1 . . . . 77 LYS CB . 18458 1 820 . 1 1 77 77 LYS N N 15 117.8 0.56 . 1 . . . . 77 LYS N . 18458 1 821 . 1 1 78 78 LEU H H 1 8.00 0.1 . 1 . . . . 78 LEU H . 18458 1 822 . 1 1 78 78 LEU HA H 1 3.91 0.07 . 1 . . . . 78 LEU HA . 18458 1 823 . 1 1 78 78 LEU HB2 H 1 1.53 0.06 . 2 . . . . 78 LEU HB2 . 18458 1 824 . 1 1 78 78 LEU HB3 H 1 1.73 0.06 . 2 . . . . 78 LEU HB3 . 18458 1 825 . 1 1 78 78 LEU HG H 1 2.06 0.05 . 1 . . . . 78 LEU HG . 18458 1 826 . 1 1 78 78 LEU HD11 H 1 0.95 0.05 . 2 . . . . 78 LEU MD1 . 18458 1 827 . 1 1 78 78 LEU HD12 H 1 0.95 0.05 . 2 . . . . 78 LEU MD1 . 18458 1 828 . 1 1 78 78 LEU HD13 H 1 0.95 0.05 . 2 . . . . 78 LEU MD1 . 18458 1 829 . 1 1 78 78 LEU HD21 H 1 0.66 0.06 . 2 . . . . 78 LEU MD2 . 18458 1 830 . 1 1 78 78 LEU HD22 H 1 0.66 0.06 . 2 . . . . 78 LEU MD2 . 18458 1 831 . 1 1 78 78 LEU HD23 H 1 0.66 0.06 . 2 . . . . 78 LEU MD2 . 18458 1 832 . 1 1 78 78 LEU C C 13 177.34 0.28 . 1 . . . . 78 LEU C . 18458 1 833 . 1 1 78 78 LEU CA C 13 57.46 0.2 . 1 . . . . 78 LEU CA . 18458 1 834 . 1 1 78 78 LEU CB C 13 41.67 0.04 . 1 . . . . 78 LEU CB . 18458 1 835 . 1 1 78 78 LEU N N 15 122.01 0.8 . 1 . . . . 78 LEU N . 18458 1 836 . 1 1 79 79 ALA H H 1 7.56 0.16 . 1 . . . . 79 ALA H . 18458 1 837 . 1 1 79 79 ALA HA H 1 5.06 0.17 . 1 . . . . 79 ALA HA . 18458 1 838 . 1 1 79 79 ALA HB1 H 1 1.18 0.4 . 1 . . . . 79 ALA MB . 18458 1 839 . 1 1 79 79 ALA HB2 H 1 1.18 0.4 . 1 . . . . 79 ALA MB . 18458 1 840 . 1 1 79 79 ALA HB3 H 1 1.18 0.4 . 1 . . . . 79 ALA MB . 18458 1 841 . 1 1 79 79 ALA C C 13 175.53 0.42 . 1 . . . . 79 ALA C . 18458 1 842 . 1 1 79 79 ALA CA C 13 50.32 0.32 . 1 . . . . 79 ALA CA . 18458 1 843 . 1 1 79 79 ALA CB C 13 22.16 0.62 . 1 . . . . 79 ALA CB . 18458 1 844 . 1 1 79 79 ALA N N 15 117.24 1 . 1 . . . . 79 ALA N . 18458 1 845 . 1 1 80 80 GLN H H 1 9.08 0.16 . 1 . . . . 80 GLN H . 18458 1 846 . 1 1 80 80 GLN HA H 1 4.62 0.21 . 1 . . . . 80 GLN HA . 18458 1 847 . 1 1 80 80 GLN HB2 H 1 2.25 0.06 . 2 . . . . 80 GLN HB2 . 18458 1 848 . 1 1 80 80 GLN HB3 H 1 2.18 0.07 . 2 . . . . 80 GLN HB3 . 18458 1 849 . 1 1 80 80 GLN HG2 H 1 2.41 0.07 . 2 . . . . 80 GLN HG2 . 18458 1 850 . 1 1 80 80 GLN HG3 H 1 2.47 0.08 . 2 . . . . 80 GLN HG3 . 18458 1 851 . 1 1 80 80 GLN HE21 H 1 7.47 0.11 . 2 . . . . 80 GLN HE21 . 18458 1 852 . 1 1 80 80 GLN HE22 H 1 6.91 0.12 . 2 . . . . 80 GLN HE22 . 18458 1 853 . 1 1 80 80 GLN C C 13 174.66 0.34 . 1 . . . . 80 GLN C . 18458 1 854 . 1 1 80 80 GLN CA C 13 54.6 0.33 . 1 . . . . 80 GLN CA . 18458 1 855 . 1 1 80 80 GLN CB C 13 31.12 1.16 . 1 . . . . 80 GLN CB . 18458 1 856 . 1 1 80 80 GLN N N 15 120.9 2.14 . 1 . . . . 80 GLN N . 18458 1 857 . 1 1 81 81 ILE H H 1 8.35 0.12 . 1 . . . . 81 ILE H . 18458 1 858 . 1 1 81 81 ILE HA H 1 4.73 0.24 . 1 . . . . 81 ILE HA . 18458 1 859 . 1 1 81 81 ILE HB H 1 1.85 0.12 . 1 . . . . 81 ILE HB . 18458 1 860 . 1 1 81 81 ILE HG12 H 1 0.98 0.31 . 2 . . . . 81 ILE HG12 . 18458 1 861 . 1 1 81 81 ILE HG13 H 1 0.41 0.42 . 2 . . . . 81 ILE HG13 . 18458 1 862 . 1 1 81 81 ILE HG21 H 1 0.89 0.25 . 1 . . . . 81 ILE MG . 18458 1 863 . 1 1 81 81 ILE HG22 H 1 0.89 0.25 . 1 . . . . 81 ILE MG . 18458 1 864 . 1 1 81 81 ILE HG23 H 1 0.89 0.25 . 1 . . . . 81 ILE MG . 18458 1 865 . 1 1 81 81 ILE HD11 H 1 0.81 0.29 . 1 . . . . 81 ILE MD . 18458 1 866 . 1 1 81 81 ILE HD12 H 1 0.81 0.29 . 1 . . . . 81 ILE MD . 18458 1 867 . 1 1 81 81 ILE HD13 H 1 0.81 0.29 . 1 . . . . 81 ILE MD . 18458 1 868 . 1 1 81 81 ILE C C 13 174.77 0.31 . 1 . . . . 81 ILE C . 18458 1 869 . 1 1 81 81 ILE CA C 13 60.18 0.49 . 1 . . . . 81 ILE CA . 18458 1 870 . 1 1 81 81 ILE CB C 13 38.99 0.67 . 1 . . . . 81 ILE CB . 18458 1 871 . 1 1 81 81 ILE N N 15 125.87 2.92 . 1 . . . . 81 ILE N . 18458 1 872 . 1 1 82 82 GLU H H 1 8.88 0.25 . 1 . . . . 82 GLU H . 18458 1 873 . 1 1 82 82 GLU HA H 1 4.73 0.15 . 1 . . . . 82 GLU HA . 18458 1 874 . 1 1 82 82 GLU HB2 H 1 2.19 0.08 . 2 . . . . 82 GLU HB2 . 18458 1 875 . 1 1 82 82 GLU HB3 H 1 1.86 0.16 . 2 . . . . 82 GLU HB3 . 18458 1 876 . 1 1 82 82 GLU HG2 H 1 2.36 0.08 . 2 . . . . 82 GLU HG2 . 18458 1 877 . 1 1 82 82 GLU HG3 H 1 2.38 0.04 . 2 . . . . 82 GLU HG3 . 18458 1 878 . 1 1 82 82 GLU C C 13 174.36 0.41 . 1 . . . . 82 GLU C . 18458 1 879 . 1 1 82 82 GLU CA C 13 54.7 0.32 . 1 . . . . 82 GLU CA . 18458 1 880 . 1 1 82 82 GLU CB C 13 33.46 0.54 . 1 . . . . 82 GLU CB . 18458 1 881 . 1 1 82 82 GLU N N 15 127.39 1.03 . 1 . . . . 82 GLU N . 18458 1 882 . 1 1 83 83 GLY H H 1 8.99 0.25 . 1 . . . . 83 GLY H . 18458 1 883 . 1 1 83 83 GLY HA2 H 1 3.92 0.04 . 2 . . . . 83 GLY HA2 . 18458 1 884 . 1 1 83 83 GLY HA3 H 1 4.08 0.08 . 2 . . . . 83 GLY HA3 . 18458 1 885 . 1 1 83 83 GLY C C 13 172.17 0.3 . 1 . . . . 83 GLY C . 18458 1 886 . 1 1 83 83 GLY CA C 13 44.43 0.61 . 1 . . . . 83 GLY CA . 18458 1 887 . 1 1 83 83 GLY N N 15 113.43 1.83 . 1 . . . . 83 GLY N . 18458 1 888 . 1 1 84 84 VAL H H 1 8.18 0.29 . 1 . . . . 84 VAL H . 18458 1 889 . 1 1 84 84 VAL HA H 1 4.87 0.13 . 1 . . . . 84 VAL HA . 18458 1 890 . 1 1 84 84 VAL HB H 1 2.1 0.11 . 1 . . . . 84 VAL HB . 18458 1 891 . 1 1 84 84 VAL HG11 H 1 0.94 0.08 . 2 . . . . 84 VAL MG1 . 18458 1 892 . 1 1 84 84 VAL HG12 H 1 0.94 0.08 . 2 . . . . 84 VAL MG1 . 18458 1 893 . 1 1 84 84 VAL HG13 H 1 0.94 0.08 . 2 . . . . 84 VAL MG1 . 18458 1 894 . 1 1 84 84 VAL HG21 H 1 1.05 0.11 . 2 . . . . 84 VAL MG2 . 18458 1 895 . 1 1 84 84 VAL HG22 H 1 1.05 0.11 . 2 . . . . 84 VAL MG2 . 18458 1 896 . 1 1 84 84 VAL HG23 H 1 1.05 0.11 . 2 . . . . 84 VAL MG2 . 18458 1 897 . 1 1 84 84 VAL C C 13 175.74 0.44 . 1 . . . . 84 VAL C . 18458 1 898 . 1 1 84 84 VAL CA C 13 59.03 0.41 . 1 . . . . 84 VAL CA . 18458 1 899 . 1 1 84 84 VAL CB C 13 36.06 0.6 . 1 . . . . 84 VAL CB . 18458 1 900 . 1 1 84 84 VAL N N 15 118.66 2.08 . 1 . . . . 84 VAL N . 18458 1 901 . 1 1 85 85 VAL H H 1 8.34 0.19 . 1 . . . . 85 VAL H . 18458 1 902 . 1 1 85 85 VAL HA H 1 3.86 0.34 . 1 . . . . 85 VAL HA . 18458 1 903 . 1 1 85 85 VAL HB H 1 2.07 0.14 . 1 . . . . 85 VAL HB . 18458 1 904 . 1 1 85 85 VAL HG11 H 1 0.71 0.28 . 2 . . . . 85 VAL MG1 . 18458 1 905 . 1 1 85 85 VAL HG12 H 1 0.71 0.28 . 2 . . . . 85 VAL MG1 . 18458 1 906 . 1 1 85 85 VAL HG13 H 1 0.71 0.28 . 2 . . . . 85 VAL MG1 . 18458 1 907 . 1 1 85 85 VAL HG21 H 1 0.93 0.11 . 2 . . . . 85 VAL MG2 . 18458 1 908 . 1 1 85 85 VAL HG22 H 1 0.93 0.11 . 2 . . . . 85 VAL MG2 . 18458 1 909 . 1 1 85 85 VAL HG23 H 1 0.93 0.11 . 2 . . . . 85 VAL MG2 . 18458 1 910 . 1 1 85 85 VAL C C 13 174.58 0.55 . 1 . . . . 85 VAL C . 18458 1 911 . 1 1 85 85 VAL CA C 13 60.82 0.59 . 1 . . . . 85 VAL CA . 18458 1 912 . 1 1 85 85 VAL CB C 13 31.96 0.46 . 1 . . . . 85 VAL CB . 18458 1 913 . 1 1 85 85 VAL N N 15 120.02 3.94 . 1 . . . . 85 VAL N . 18458 1 914 . 1 1 86 86 PRO HA H 1 4.38 0.12 . 1 . . . . 86 PRO HA . 18458 1 915 . 1 1 86 86 PRO HB2 H 1 2.2 0.12 . 2 . . . . 86 PRO HB2 . 18458 1 916 . 1 1 86 86 PRO HB3 H 1 2.13 0.16 . 2 . . . . 86 PRO HB3 . 18458 1 917 . 1 1 86 86 PRO HG2 H 1 2.09 0.12 . 2 . . . . 86 PRO HG2 . 18458 1 918 . 1 1 86 86 PRO HG3 H 1 2.06 0.13 . 2 . . . . 86 PRO HG3 . 18458 1 919 . 1 1 86 86 PRO HD2 H 1 3.64 0.09 . 2 . . . . 86 PRO HD2 . 18458 1 920 . 1 1 86 86 PRO HD3 H 1 3.79 0.09 . 2 . . . . 86 PRO HD3 . 18458 1 921 . 1 1 86 86 PRO C C 13 176.84 0.59 . 1 . . . . 86 PRO C . 18458 1 922 . 1 1 86 86 PRO CA C 13 62.56 0.47 . 1 . . . . 86 PRO CA . 18458 1 923 . 1 1 86 86 PRO CB C 13 31.25 1.05 . 1 . . . . 86 PRO CB . 18458 1 924 . 1 1 87 87 PHE H H 1 8.62 0.37 . 1 . . . . 87 PHE H . 18458 1 925 . 1 1 87 87 PHE HA H 1 4.45 0.3 . 1 . . . . 87 PHE HA . 18458 1 926 . 1 1 87 87 PHE HB2 H 1 3.07 0.07 . 2 . . . . 87 PHE HB2 . 18458 1 927 . 1 1 87 87 PHE HB3 H 1 3.11 0.03 . 2 . . . . 87 PHE HB3 . 18458 1 928 . 1 1 87 87 PHE C C 13 176.92 0.73 . 1 . . . . 87 PHE C . 18458 1 929 . 1 1 87 87 PHE CA C 13 59.06 1.34 . 1 . . . . 87 PHE CA . 18458 1 930 . 1 1 87 87 PHE CB C 13 39.16 0.7 . 1 . . . . 87 PHE CB . 18458 1 931 . 1 1 87 87 PHE N N 15 120.13 3.57 . 1 . . . . 87 PHE N . 18458 1 932 . 1 1 88 88 GLY H H 1 7.73 0.64 . 1 . . . . 88 GLY H . 18458 1 933 . 1 1 88 88 GLY HA2 H 1 3.93 0.16 . 2 . . . . 88 GLY HA2 . 18458 1 934 . 1 1 88 88 GLY HA3 H 1 3.97 0.1 . 2 . . . . 88 GLY HA3 . 18458 1 935 . 1 1 88 88 GLY C C 13 175.23 1.1 . 1 . . . . 88 GLY C . 18458 1 936 . 1 1 88 88 GLY CA C 13 45.93 1.44 . 1 . . . . 88 GLY CA . 18458 1 937 . 1 1 88 88 GLY N N 15 108.83 3.65 . 1 . . . . 88 GLY N . 18458 1 938 . 1 1 89 89 ALA H H 1 8.3 0.42 . 1 . . . . 89 ALA H . 18458 1 939 . 1 1 89 89 ALA HA H 1 4.11 0.24 . 1 . . . . 89 ALA HA . 18458 1 940 . 1 1 89 89 ALA HB1 H 1 1.35 0.07 . 1 . . . . 89 ALA MB . 18458 1 941 . 1 1 89 89 ALA HB2 H 1 1.35 0.07 . 1 . . . . 89 ALA MB . 18458 1 942 . 1 1 89 89 ALA HB3 H 1 1.35 0.07 . 1 . . . . 89 ALA MB . 18458 1 943 . 1 1 89 89 ALA C C 13 179.09 0.5 . 1 . . . . 89 ALA C . 18458 1 944 . 1 1 89 89 ALA CA C 13 54.73 0.45 . 1 . . . . 89 ALA CA . 18458 1 945 . 1 1 89 89 ALA CB C 13 18.51 0.57 . 1 . . . . 89 ALA CB . 18458 1 946 . 1 1 89 89 ALA N N 15 124.95 2.69 . 1 . . . . 89 ALA N . 18458 1 947 . 1 1 90 90 ASN H H 1 8.07 0.24 . 1 . . . . 90 ASN H . 18458 1 948 . 1 1 90 90 ASN HA H 1 4.61 0.44 . 1 . . . . 90 ASN HA . 18458 1 949 . 1 1 90 90 ASN HB2 H 1 2.82 0.17 . 2 . . . . 90 ASN HB2 . 18458 1 950 . 1 1 90 90 ASN HB3 H 1 2.91 0.15 . 2 . . . . 90 ASN HB3 . 18458 1 951 . 1 1 90 90 ASN HD21 H 1 6.8 0.37 . 2 . . . . 90 ASN HD21 . 18458 1 952 . 1 1 90 90 ASN HD22 H 1 7.39 0.6 . 2 . . . . 90 ASN HD22 . 18458 1 953 . 1 1 90 90 ASN C C 13 176.54 0.37 . 1 . . . . 90 ASN C . 18458 1 954 . 1 1 90 90 ASN CA C 13 55.49 0.97 . 1 . . . . 90 ASN CA . 18458 1 955 . 1 1 90 90 ASN CB C 13 38.67 0.74 . 1 . . . . 90 ASN CB . 18458 1 956 . 1 1 90 90 ASN N N 15 113.53 1.65 . 1 . . . . 90 ASN N . 18458 1 957 . 1 1 91 91 ASN H H 1 7.89 0.27 . 1 . . . . 91 ASN H . 18458 1 958 . 1 1 91 91 ASN HA H 1 4.39 0.13 . 1 . . . . 91 ASN HA . 18458 1 959 . 1 1 91 91 ASN HB2 H 1 2.78 0.18 . 2 . . . . 91 ASN HB2 . 18458 1 960 . 1 1 91 91 ASN HB3 H 1 2.92 0.14 . 2 . . . . 91 ASN HB3 . 18458 1 961 . 1 1 91 91 ASN HD21 H 1 6.91 0.32 . 2 . . . . 91 ASN HD21 . 18458 1 962 . 1 1 91 91 ASN HD22 H 1 7.75 0.57 . 2 . . . . 91 ASN HD22 . 18458 1 963 . 1 1 91 91 ASN C C 13 175.99 0.53 . 1 . . . . 91 ASN C . 18458 1 964 . 1 1 91 91 ASN CA C 13 55.93 0.38 . 1 . . . . 91 ASN CA . 18458 1 965 . 1 1 91 91 ASN CB C 13 38.88 0.62 . 1 . . . . 91 ASN CB . 18458 1 966 . 1 1 91 91 ASN N N 15 116.83 1.16 . 1 . . . . 91 ASN N . 18458 1 967 . 1 1 92 92 ALA H H 1 7.68 0.25 . 1 . . . . 92 ALA H . 18458 1 968 . 1 1 92 92 ALA HA H 1 4.17 0.23 . 1 . . . . 92 ALA HA . 18458 1 969 . 1 1 92 92 ALA HB1 H 1 1.25 0.18 . 1 . . . . 92 ALA MB . 18458 1 970 . 1 1 92 92 ALA HB2 H 1 1.25 0.18 . 1 . . . . 92 ALA MB . 18458 1 971 . 1 1 92 92 ALA HB3 H 1 1.25 0.18 . 1 . . . . 92 ALA MB . 18458 1 972 . 1 1 92 92 ALA C C 13 176.92 0.66 . 1 . . . . 92 ALA C . 18458 1 973 . 1 1 92 92 ALA CA C 13 53.36 1.25 . 1 . . . . 92 ALA CA . 18458 1 974 . 1 1 92 92 ALA CB C 13 19.27 0.76 . 1 . . . . 92 ALA CB . 18458 1 975 . 1 1 92 92 ALA N N 15 120.37 1.18 . 1 . . . . 92 ALA N . 18458 1 976 . 1 1 93 93 PHE H H 1 7.68 0.32 . 1 . . . . 93 PHE H . 18458 1 977 . 1 1 93 93 PHE HA H 1 4.61 0.27 . 1 . . . . 93 PHE HA . 18458 1 978 . 1 1 93 93 PHE HB2 H 1 3.04 0.09 . 2 . . . . 93 PHE HB2 . 18458 1 979 . 1 1 93 93 PHE HB3 H 1 2.96 0.14 . 2 . . . . 93 PHE HB3 . 18458 1 980 . 1 1 93 93 PHE C C 13 174.48 0.75 . 1 . . . . 93 PHE C . 18458 1 981 . 1 1 93 93 PHE CA C 13 57.01 1.35 . 1 . . . . 93 PHE CA . 18458 1 982 . 1 1 93 93 PHE CB C 13 41.29 1.93 . 1 . . . . 93 PHE CB . 18458 1 983 . 1 1 93 93 PHE N N 15 115.28 3.24 . 1 . . . . 93 PHE N . 18458 1 984 . 1 1 94 94 THR H H 1 8.18 0.79 . 1 . . . . 94 THR H . 18458 1 985 . 1 1 94 94 THR HA H 1 3.97 0.47 . 1 . . . . 94 THR HA . 18458 1 986 . 1 1 94 94 THR HB H 1 4.19 0.28 . 1 . . . . 94 THR HB . 18458 1 987 . 1 1 94 94 THR HG21 H 1 1.18 0.15 . 1 . . . . 94 THR MG . 18458 1 988 . 1 1 94 94 THR HG22 H 1 1.18 0.15 . 1 . . . . 94 THR MG . 18458 1 989 . 1 1 94 94 THR HG23 H 1 1.18 0.15 . 1 . . . . 94 THR MG . 18458 1 990 . 1 1 94 94 THR C C 13 172.96 1.16 . 1 . . . . 94 THR C . 18458 1 991 . 1 1 94 94 THR CA C 13 63.05 0.89 . 1 . . . . 94 THR CA . 18458 1 992 . 1 1 94 94 THR CB C 13 67.5 1.25 . 1 . . . . 94 THR CB . 18458 1 993 . 1 1 94 94 THR N N 15 118.64 3.91 . 1 . . . . 94 THR N . 18458 1 994 . 1 1 95 95 MET H H 1 8.1 0.51 . 1 . . . . 95 MET H . 18458 1 995 . 1 1 95 95 MET HA H 1 4.7 0.22 . 1 . . . . 95 MET HA . 18458 1 996 . 1 1 95 95 MET HB2 H 1 2.02 0.12 . 2 . . . . 95 MET HB2 . 18458 1 997 . 1 1 95 95 MET HB3 H 1 2.05 0.1 . 2 . . . . 95 MET HB3 . 18458 1 998 . 1 1 95 95 MET HG2 H 1 2.61 0.14 . 2 . . . . 95 MET HG2 . 18458 1 999 . 1 1 95 95 MET HG3 H 1 2.62 0.17 . 2 . . . . 95 MET HG3 . 18458 1 1000 . 1 1 95 95 MET HE1 H 1 0.3 0.22 . 1 . . . . 95 MET ME . 18458 1 1001 . 1 1 95 95 MET HE2 H 1 0.3 0.22 . 1 . . . . 95 MET ME . 18458 1 1002 . 1 1 95 95 MET HE3 H 1 0.3 0.22 . 1 . . . . 95 MET ME . 18458 1 1003 . 1 1 95 95 MET C C 13 173.61 1.02 . 1 . . . . 95 MET C . 18458 1 1004 . 1 1 95 95 MET CA C 13 53.26 0.82 . 1 . . . . 95 MET CA . 18458 1 1005 . 1 1 95 95 MET CB C 13 34.59 1.6 . 1 . . . . 95 MET CB . 18458 1 1006 . 1 1 95 95 MET N N 15 123.41 3.39 . 1 . . . . 95 MET N . 18458 1 1007 . 1 1 96 96 PRO HA H 1 4.65 0.25 . 1 . . . . 96 PRO HA . 18458 1 1008 . 1 1 96 96 PRO HB2 H 1 2.03 0.09 . 2 . . . . 96 PRO HB2 . 18458 1 1009 . 1 1 96 96 PRO HB3 H 1 2.07 0.14 . 2 . . . . 96 PRO HB3 . 18458 1 1010 . 1 1 96 96 PRO HG2 H 1 2.01 0.09 . 2 . . . . 96 PRO HG2 . 18458 1 1011 . 1 1 96 96 PRO HG3 H 1 2.05 0.18 . 2 . . . . 96 PRO HG3 . 18458 1 1012 . 1 1 96 96 PRO HD2 H 1 3.71 0.09 . 2 . . . . 96 PRO HD2 . 18458 1 1013 . 1 1 96 96 PRO HD3 H 1 3.58 0.49 . 2 . . . . 96 PRO HD3 . 18458 1 1014 . 1 1 96 96 PRO C C 13 175.78 0.59 . 1 . . . . 96 PRO C . 18458 1 1015 . 1 1 96 96 PRO CA C 13 62.66 0.68 . 1 . . . . 96 PRO CA . 18458 1 1016 . 1 1 96 96 PRO CB C 13 32.34 0.87 . 1 . . . . 96 PRO CB . 18458 1 1017 . 1 1 97 97 LEU H H 1 8.23 0.23 . 1 . . . . 97 LEU H . 18458 1 1018 . 1 1 97 97 LEU HA H 1 4.51 0.17 . 1 . . . . 97 LEU HA . 18458 1 1019 . 1 1 97 97 LEU HB2 H 1 1.7 0.1 . 2 . . . . 97 LEU HB2 . 18458 1 1020 . 1 1 97 97 LEU HB3 H 1 1.65 0.08 . 2 . . . . 97 LEU HB3 . 18458 1 1021 . 1 1 97 97 LEU HG H 1 1.59 0.07 . 1 . . . . 97 LEU HG . 18458 1 1022 . 1 1 97 97 LEU HD11 H 1 0.91 0.04 . 2 . . . . 97 LEU MD1 . 18458 1 1023 . 1 1 97 97 LEU HD12 H 1 0.91 0.04 . 2 . . . . 97 LEU MD1 . 18458 1 1024 . 1 1 97 97 LEU HD13 H 1 0.91 0.04 . 2 . . . . 97 LEU MD1 . 18458 1 1025 . 1 1 97 97 LEU HD21 H 1 0.76 0.13 . 2 . . . . 97 LEU MD2 . 18458 1 1026 . 1 1 97 97 LEU HD22 H 1 0.76 0.13 . 2 . . . . 97 LEU MD2 . 18458 1 1027 . 1 1 97 97 LEU HD23 H 1 0.76 0.13 . 2 . . . . 97 LEU MD2 . 18458 1 1028 . 1 1 97 97 LEU C C 13 175.56 0.43 . 1 . . . . 97 LEU C . 18458 1 1029 . 1 1 97 97 LEU CA C 13 55.2 0.56 . 1 . . . . 97 LEU CA . 18458 1 1030 . 1 1 97 97 LEU CB C 13 42.64 0.87 . 1 . . . . 97 LEU CB . 18458 1 1031 . 1 1 97 97 LEU N N 15 121.89 1.21 . 1 . . . . 97 LEU N . 18458 1 1032 . 1 1 98 98 HIS H H 1 8.38 0.31 . 1 . . . . 98 HIS H . 18458 1 1033 . 1 1 98 98 HIS HA H 1 4.75 0.23 . 1 . . . . 98 HIS HA . 18458 1 1034 . 1 1 98 98 HIS HB2 H 1 3.17 0.09 . 2 . . . . 98 HIS HB2 . 18458 1 1035 . 1 1 98 98 HIS HB3 H 1 3.35 0.14 . 2 . . . . 98 HIS HB3 . 18458 1 1036 . 1 1 98 98 HIS HD2 H 1 5.54 0.19 . 1 . . . . 98 HIS HD2 . 18458 1 1037 . 1 1 98 98 HIS HE1 H 1 6.61 0.17 . 1 . . . . 98 HIS HE1 . 18458 1 1038 . 1 1 98 98 HIS C C 13 173.85 0.49 . 1 . . . . 98 HIS C . 18458 1 1039 . 1 1 98 98 HIS CA C 13 54.65 0.76 . 1 . . . . 98 HIS CA . 18458 1 1040 . 1 1 98 98 HIS CB C 13 30.77 0.54 . 1 . . . . 98 HIS CB . 18458 1 1041 . 1 1 98 98 HIS N N 15 117.61 2.98 . 1 . . . . 98 HIS N . 18458 1 1042 . 1 1 99 99 MET H H 1 8.54 0.17 . 1 . . . . 99 MET H . 18458 1 1043 . 1 1 99 99 MET HA H 1 4.54 0.28 . 1 . . . . 99 MET HA . 18458 1 1044 . 1 1 99 99 MET HB2 H 1 2.02 0.14 . 2 . . . . 99 MET HB2 . 18458 1 1045 . 1 1 99 99 MET HB3 H 1 1.95 0.11 . 2 . . . . 99 MET HB3 . 18458 1 1046 . 1 1 99 99 MET HG2 H 1 2.54 0.17 . 2 . . . . 99 MET HG2 . 18458 1 1047 . 1 1 99 99 MET HG3 H 1 2.47 0.22 . 2 . . . . 99 MET HG3 . 18458 1 1048 . 1 1 99 99 MET HE1 H 1 0.26 0.1 . 1 . . . . 99 MET ME . 18458 1 1049 . 1 1 99 99 MET HE2 H 1 0.26 0.1 . 1 . . . . 99 MET ME . 18458 1 1050 . 1 1 99 99 MET HE3 H 1 0.26 0.1 . 1 . . . . 99 MET ME . 18458 1 1051 . 1 1 99 99 MET C C 13 174.67 0.58 . 1 . . . . 99 MET C . 18458 1 1052 . 1 1 99 99 MET CA C 13 54.95 0.59 . 1 . . . . 99 MET CA . 18458 1 1053 . 1 1 99 99 MET CB C 13 32.97 0.92 . 1 . . . . 99 MET CB . 18458 1 1054 . 1 1 99 99 MET N N 15 124.15 1.79 . 1 . . . . 99 MET N . 18458 1 1055 . 1 1 100 100 THR H H 1 8.2 0.26 . 1 . . . . 100 THR H . 18458 1 1056 . 1 1 100 100 THR HA H 1 4.25 0.3 . 1 . . . . 100 THR HA . 18458 1 1057 . 1 1 100 100 THR HB H 1 2.7 0.04 . 1 . . . . 100 THR HB . 18458 1 1058 . 1 1 100 100 THR HG21 H 1 0.87 0.12 . 1 . . . . 100 THR MG . 18458 1 1059 . 1 1 100 100 THR HG22 H 1 0.87 0.12 . 1 . . . . 100 THR MG . 18458 1 1060 . 1 1 100 100 THR HG23 H 1 0.87 0.12 . 1 . . . . 100 THR MG . 18458 1 1061 . 1 1 100 100 THR C C 13 173.41 0.47 . 1 . . . . 100 THR C . 18458 1 1062 . 1 1 100 100 THR CA C 13 59.71 0.36 . 1 . . . . 100 THR CA . 18458 1 1063 . 1 1 100 100 THR CB C 13 72.01 0.62 . 1 . . . . 100 THR CB . 18458 1 1064 . 1 1 100 100 THR N N 15 115.33 1.95 . 1 . . . . 100 THR N . 18458 1 1065 . 1 1 101 101 PHE H H 1 8.04 0.5 . 1 . . . . 101 PHE H . 18458 1 1066 . 1 1 101 101 PHE HA H 1 4.95 0.25 . 1 . . . . 101 PHE HA . 18458 1 1067 . 1 1 101 101 PHE HB2 H 1 3.09 0.1 . 2 . . . . 101 PHE HB2 . 18458 1 1068 . 1 1 101 101 PHE HB3 H 1 3.1 0.1 . 2 . . . . 101 PHE HB3 . 18458 1 1069 . 1 1 101 101 PHE C C 13 175.28 0.38 . 1 . . . . 101 PHE C . 18458 1 1070 . 1 1 101 101 PHE CA C 13 56.12 0.48 . 1 . . . . 101 PHE CA . 18458 1 1071 . 1 1 101 101 PHE CB C 13 39.86 0.45 . 1 . . . . 101 PHE CB . 18458 1 1072 . 1 1 101 101 PHE N N 15 125.78 2.24 . 1 . . . . 101 PHE N . 18458 1 1073 . 1 1 102 102 TRP H H 1 8.68 0.3 . 1 . . . . 102 TRP H . 18458 1 1074 . 1 1 102 102 TRP HA H 1 5.04 0.2 . 1 . . . . 102 TRP HA . 18458 1 1075 . 1 1 102 102 TRP HB2 H 1 3.33 0.06 . 2 . . . . 102 TRP HB2 . 18458 1 1076 . 1 1 102 102 TRP HB3 H 1 2.96 0.08 . 2 . . . . 102 TRP HB3 . 18458 1 1077 . 1 1 102 102 TRP C C 13 176.53 0.84 . 1 . . . . 102 TRP C . 18458 1 1078 . 1 1 102 102 TRP CA C 13 55.64 0.35 . 1 . . . . 102 TRP CA . 18458 1 1079 . 1 1 102 102 TRP CB C 13 30.83 0.3 . 1 . . . . 102 TRP CB . 18458 1 1080 . 1 1 102 102 TRP N N 15 125.26 0.79 . 1 . . . . 102 TRP N . 18458 1 1081 . 1 1 103 103 GLY H H 1 7.15 0.38 . 1 . . . . 103 GLY H . 18458 1 1082 . 1 1 103 103 GLY HA2 H 1 4.37 0.09 . 2 . . . . 103 GLY HA2 . 18458 1 1083 . 1 1 103 103 GLY HA3 H 1 4.15 0.05 . 2 . . . . 103 GLY HA3 . 18458 1 1084 . 1 1 103 103 GLY C C 13 171.73 0.61 . 1 . . . . 103 GLY C . 18458 1 1085 . 1 1 103 103 GLY CA C 13 45.58 0.95 . 1 . . . . 103 GLY CA . 18458 1 1086 . 1 1 103 103 GLY N N 15 107.7 1.16 . 1 . . . . 103 GLY N . 18458 1 1087 . 1 1 104 104 LYS H H 1 7.92 0.25 . 1 . . . . 104 LYS H . 18458 1 1088 . 1 1 104 104 LYS HA H 1 5.5 0.19 . 1 . . . . 104 LYS HA . 18458 1 1089 . 1 1 104 104 LYS HB2 H 1 2 0 . 2 . . . . 104 LYS HB2 . 18458 1 1090 . 1 1 104 104 LYS HB3 H 1 2.02 0.07 . 2 . . . . 104 LYS HB3 . 18458 1 1091 . 1 1 104 104 LYS HG2 H 1 1.48 0.05 . 2 . . . . 104 LYS HG2 . 18458 1 1092 . 1 1 104 104 LYS HG3 H 1 1.41 0.07 . 2 . . . . 104 LYS HG3 . 18458 1 1093 . 1 1 104 104 LYS HD2 H 1 1.71 0.06 . 2 . . . . 104 LYS HD2 . 18458 1 1094 . 1 1 104 104 LYS HD3 H 1 1.77 0.08 . 2 . . . . 104 LYS HD3 . 18458 1 1095 . 1 1 104 104 LYS HE2 H 1 3.23 0.1 . 2 . . . . 104 LYS HE2 . 18458 1 1096 . 1 1 104 104 LYS HE3 H 1 3.09 0.03 . 2 . . . . 104 LYS HE3 . 18458 1 1097 . 1 1 104 104 LYS C C 13 177 0.29 . 1 . . . . 104 LYS C . 18458 1 1098 . 1 1 104 104 LYS CA C 13 54.14 0.56 . 1 . . . . 104 LYS CA . 18458 1 1099 . 1 1 104 104 LYS CB C 13 35.24 0.9 . 1 . . . . 104 LYS CB . 18458 1 1100 . 1 1 104 104 LYS N N 15 118.37 1.5 . 1 . . . . 104 LYS N . 18458 1 1101 . 1 1 105 105 GLU H H 1 8.78 0.11 . 1 . . . . 105 GLU H . 18458 1 1102 . 1 1 105 105 GLU HA H 1 4.14 0.09 . 1 . . . . 105 GLU HA . 18458 1 1103 . 1 1 105 105 GLU HB2 H 1 2.08 0.04 . 2 . . . . 105 GLU HB2 . 18458 1 1104 . 1 1 105 105 GLU HB3 H 1 2.04 0.03 . 2 . . . . 105 GLU HB3 . 18458 1 1105 . 1 1 105 105 GLU HG2 H 1 2.41 0.04 . 2 . . . . 105 GLU HG2 . 18458 1 1106 . 1 1 105 105 GLU HG3 H 1 2.45 0.05 . 2 . . . . 105 GLU HG3 . 18458 1 1107 . 1 1 105 105 GLU C C 13 178.61 0.24 . 1 . . . . 105 GLU C . 18458 1 1108 . 1 1 105 105 GLU CA C 13 59.16 0.27 . 1 . . . . 105 GLU CA . 18458 1 1109 . 1 1 105 105 GLU CB C 13 29.41 0.26 . 1 . . . . 105 GLU CB . 18458 1 1110 . 1 1 105 105 GLU N N 15 120.48 0.62 . 1 . . . . 105 GLU N . 18458 1 1111 . 1 1 106 106 GLU H H 1 8.3 0.07 . 1 . . . . 106 GLU H . 18458 1 1112 . 1 1 106 106 GLU HA H 1 4.08 0.09 . 1 . . . . 106 GLU HA . 18458 1 1113 . 1 1 106 106 GLU HB2 H 1 2.06 0.06 . 2 . . . . 106 GLU HB2 . 18458 1 1114 . 1 1 106 106 GLU HB3 H 1 2.05 0.03 . 2 . . . . 106 GLU HB3 . 18458 1 1115 . 1 1 106 106 GLU HG2 H 1 2.36 0.04 . 2 . . . . 106 GLU HG2 . 18458 1 1116 . 1 1 106 106 GLU HG3 H 1 2.39 0.04 . 2 . . . . 106 GLU HG3 . 18458 1 1117 . 1 1 106 106 GLU C C 13 178.1 0.35 . 1 . . . . 106 GLU C . 18458 1 1118 . 1 1 106 106 GLU CA C 13 59.16 0.39 . 1 . . . . 106 GLU CA . 18458 1 1119 . 1 1 106 106 GLU CB C 13 29.81 0.12 . 1 . . . . 106 GLU CB . 18458 1 1120 . 1 1 106 106 GLU N N 15 117.66 0.69 . 1 . . . . 106 GLU N . 18458 1 1121 . 1 1 107 107 ASN H H 1 8.13 0.09 . 1 . . . . 107 ASN H . 18458 1 1122 . 1 1 107 107 ASN HA H 1 4.66 0.06 . 1 . . . . 107 ASN HA . 18458 1 1123 . 1 1 107 107 ASN HB2 H 1 3.01 0.14 . 2 . . . . 107 ASN HB2 . 18458 1 1124 . 1 1 107 107 ASN HB3 H 1 2.95 0.15 . 2 . . . . 107 ASN HB3 . 18458 1 1125 . 1 1 107 107 ASN HD21 H 1 6.54 0.47 . 2 . . . . 107 ASN HD21 . 18458 1 1126 . 1 1 107 107 ASN HD22 H 1 7.66 0.27 . 2 . . . . 107 ASN HD22 . 18458 1 1127 . 1 1 107 107 ASN C C 13 176.94 0.28 . 1 . . . . 107 ASN C . 18458 1 1128 . 1 1 107 107 ASN CA C 13 54.29 0.72 . 1 . . . . 107 ASN CA . 18458 1 1129 . 1 1 107 107 ASN CB C 13 38.59 0.59 . 1 . . . . 107 ASN CB . 18458 1 1130 . 1 1 107 107 ASN N N 15 115.32 0.59 . 1 . . . . 107 ASN N . 18458 1 1131 . 1 1 108 108 ARG H H 1 7.84 0.17 . 1 . . . . 108 ARG H . 18458 1 1132 . 1 1 108 108 ARG HA H 1 3.87 0.36 . 1 . . . . 108 ARG HA . 18458 1 1133 . 1 1 108 108 ARG HB2 H 1 2.25 0.14 . 2 . . . . 108 ARG HB2 . 18458 1 1134 . 1 1 108 108 ARG HB3 H 1 2.26 0.06 . 2 . . . . 108 ARG HB3 . 18458 1 1135 . 1 1 108 108 ARG HG2 H 1 1.78 0.07 . 2 . . . . 108 ARG HG2 . 18458 1 1136 . 1 1 108 108 ARG HG3 H 1 1.96 0.15 . 2 . . . . 108 ARG HG3 . 18458 1 1137 . 1 1 108 108 ARG HD2 H 1 3.23 0.11 . 2 . . . . 108 ARG HD2 . 18458 1 1138 . 1 1 108 108 ARG HD3 H 1 3.29 0.16 . 2 . . . . 108 ARG HD3 . 18458 1 1139 . 1 1 108 108 ARG HE H 1 7.57 0.02 . 1 . . . . 108 ARG HE . 18458 1 1140 . 1 1 108 108 ARG C C 13 178.18 0.27 . 1 . . . . 108 ARG C . 18458 1 1141 . 1 1 108 108 ARG CA C 13 59.39 0.18 . 1 . . . . 108 ARG CA . 18458 1 1142 . 1 1 108 108 ARG CB C 13 29.74 0.51 . 1 . . . . 108 ARG CB . 18458 1 1143 . 1 1 108 108 ARG N N 15 121.25 0.64 . 1 . . . . 108 ARG N . 18458 1 1144 . 1 1 109 109 LYS H H 1 8.02 0.2 . 1 . . . . 109 LYS H . 18458 1 1145 . 1 1 109 109 LYS HA H 1 3.91 0.08 . 1 . . . . 109 LYS HA . 18458 1 1146 . 1 1 109 109 LYS HB2 H 1 1.96 0.15 . 2 . . . . 109 LYS HB2 . 18458 1 1147 . 1 1 109 109 LYS HB3 H 1 1.94 0.13 . 2 . . . . 109 LYS HB3 . 18458 1 1148 . 1 1 109 109 LYS HG2 H 1 1.49 0.04 . 2 . . . . 109 LYS HG2 . 18458 1 1149 . 1 1 109 109 LYS HG3 H 1 1.58 0.11 . 2 . . . . 109 LYS HG3 . 18458 1 1150 . 1 1 109 109 LYS HD2 H 1 1.6 0.2 . 2 . . . . 109 LYS HD2 . 18458 1 1151 . 1 1 109 109 LYS HD3 H 1 1.78 0.07 . 2 . . . . 109 LYS HD3 . 18458 1 1152 . 1 1 109 109 LYS HE2 H 1 3.05 0.09 . 2 . . . . 109 LYS HE2 . 18458 1 1153 . 1 1 109 109 LYS HE3 H 1 2.96 0.05 . 2 . . . . 109 LYS HE3 . 18458 1 1154 . 1 1 109 109 LYS C C 13 178.56 0.25 . 1 . . . . 109 LYS C . 18458 1 1155 . 1 1 109 109 LYS CA C 13 59.7 0.21 . 1 . . . . 109 LYS CA . 18458 1 1156 . 1 1 109 109 LYS CB C 13 32.37 0.18 . 1 . . . . 109 LYS CB . 18458 1 1157 . 1 1 109 109 LYS N N 15 118.08 0.86 . 1 . . . . 109 LYS N . 18458 1 1158 . 1 1 110 110 ALA H H 1 7.8 0.12 . 1 . . . . 110 ALA H . 18458 1 1159 . 1 1 110 110 ALA HA H 1 4.06 0.12 . 1 . . . . 110 ALA HA . 18458 1 1160 . 1 1 110 110 ALA HB1 H 1 1.41 0.03 . 1 . . . . 110 ALA MB . 18458 1 1161 . 1 1 110 110 ALA HB2 H 1 1.41 0.03 . 1 . . . . 110 ALA MB . 18458 1 1162 . 1 1 110 110 ALA HB3 H 1 1.41 0.03 . 1 . . . . 110 ALA MB . 18458 1 1163 . 1 1 110 110 ALA C C 13 179.49 0.21 . 1 . . . . 110 ALA C . 18458 1 1164 . 1 1 110 110 ALA CA C 13 54.87 0.29 . 1 . . . . 110 ALA CA . 18458 1 1165 . 1 1 110 110 ALA CB C 13 18.63 0.21 . 1 . . . . 110 ALA CB . 18458 1 1166 . 1 1 110 110 ALA N N 15 120.7 0.73 . 1 . . . . 110 ALA N . 18458 1 1167 . 1 1 111 111 VAL H H 1 7.91 0.14 . 1 . . . . 111 VAL H . 18458 1 1168 . 1 1 111 111 VAL HA H 1 3.42 0.07 . 1 . . . . 111 VAL HA . 18458 1 1169 . 1 1 111 111 VAL HB H 1 1.38 0.24 . 1 . . . . 111 VAL HB . 18458 1 1170 . 1 1 111 111 VAL HG11 H 1 0.4 0.28 . 2 . . . . 111 VAL MG1 . 18458 1 1171 . 1 1 111 111 VAL HG12 H 1 0.4 0.28 . 2 . . . . 111 VAL MG1 . 18458 1 1172 . 1 1 111 111 VAL HG13 H 1 0.4 0.28 . 2 . . . . 111 VAL MG1 . 18458 1 1173 . 1 1 111 111 VAL HG21 H 1 0.64 0.15 . 2 . . . . 111 VAL MG2 . 18458 1 1174 . 1 1 111 111 VAL HG22 H 1 0.64 0.15 . 2 . . . . 111 VAL MG2 . 18458 1 1175 . 1 1 111 111 VAL HG23 H 1 0.64 0.15 . 2 . . . . 111 VAL MG2 . 18458 1 1176 . 1 1 111 111 VAL C C 13 178.36 0.19 . 1 . . . . 111 VAL C . 18458 1 1177 . 1 1 111 111 VAL CA C 13 66.16 0.43 . 1 . . . . 111 VAL CA . 18458 1 1178 . 1 1 111 111 VAL CB C 13 31.4 0.15 . 1 . . . . 111 VAL CB . 18458 1 1179 . 1 1 111 111 VAL N N 15 117.04 0.42 . 1 . . . . 111 VAL N . 18458 1 1180 . 1 1 112 112 SER H H 1 8.01 0.23 . 1 . . . . 112 SER H . 18458 1 1181 . 1 1 112 112 SER HA H 1 4.13 0.06 . 1 . . . . 112 SER HA . 18458 1 1182 . 1 1 112 112 SER HB2 H 1 4.03 0.1 . 2 . . . . 112 SER HB2 . 18458 1 1183 . 1 1 112 112 SER HB3 H 1 3.98 0.07 . 2 . . . . 112 SER HB3 . 18458 1 1184 . 1 1 112 112 SER C C 13 175.87 0.33 . 1 . . . . 112 SER C . 18458 1 1185 . 1 1 112 112 SER CA C 13 61.25 0.26 . 1 . . . . 112 SER CA . 18458 1 1186 . 1 1 112 112 SER CB C 13 62.15 0.4 . 1 . . . . 112 SER CB . 18458 1 1187 . 1 1 112 112 SER N N 15 113.41 0.97 . 1 . . . . 112 SER N . 18458 1 1188 . 1 1 113 113 ASP H H 1 7.77 0.32 . 1 . . . . 113 ASP H . 18458 1 1189 . 1 1 113 113 ASP HA H 1 4.3 0.07 . 1 . . . . 113 ASP HA . 18458 1 1190 . 1 1 113 113 ASP HB2 H 1 2.91 0.06 . 2 . . . . 113 ASP HB2 . 18458 1 1191 . 1 1 113 113 ASP HB3 H 1 2.78 0.07 . 2 . . . . 113 ASP HB3 . 18458 1 1192 . 1 1 113 113 ASP C C 13 178.2 0.19 . 1 . . . . 113 ASP C . 18458 1 1193 . 1 1 113 113 ASP CA C 13 57.3 0.15 . 1 . . . . 113 ASP CA . 18458 1 1194 . 1 1 113 113 ASP CB C 13 41.02 0.16 . 1 . . . . 113 ASP CB . 18458 1 1195 . 1 1 113 113 ASP N N 15 120.21 1.28 . 1 . . . . 113 ASP N . 18458 1 1196 . 1 1 114 114 GLN H H 1 8.1 0.17 . 1 . . . . 114 GLN H . 18458 1 1197 . 1 1 114 114 GLN HA H 1 3.9 0.1 . 1 . . . . 114 GLN HA . 18458 1 1198 . 1 1 114 114 GLN HB2 H 1 2.08 0.12 . 2 . . . . 114 GLN HB2 . 18458 1 1199 . 1 1 114 114 GLN HB3 H 1 2.13 0.12 . 2 . . . . 114 GLN HB3 . 18458 1 1200 . 1 1 114 114 GLN HG2 H 1 2.35 0.14 . 2 . . . . 114 GLN HG2 . 18458 1 1201 . 1 1 114 114 GLN HG3 H 1 2.59 0.15 . 2 . . . . 114 GLN HG3 . 18458 1 1202 . 1 1 114 114 GLN HE21 H 1 7.49 0.13 . 2 . . . . 114 GLN HE21 . 18458 1 1203 . 1 1 114 114 GLN HE22 H 1 6.77 0.13 . 2 . . . . 114 GLN HE22 . 18458 1 1204 . 1 1 114 114 GLN C C 13 178.27 0.16 . 1 . . . . 114 GLN C . 18458 1 1205 . 1 1 114 114 GLN CA C 13 58.85 0.14 . 1 . . . . 114 GLN CA . 18458 1 1206 . 1 1 114 114 GLN CB C 13 28.55 0.16 . 1 . . . . 114 GLN CB . 18458 1 1207 . 1 1 114 114 GLN N N 15 118.13 0.15 . 1 . . . . 114 GLN N . 18458 1 1208 . 1 1 115 115 LEU H H 1 8.0 0.13 . 1 . . . . 115 LEU H . 18458 1 1209 . 1 1 115 115 LEU HA H 1 4.01 0.14 . 1 . . . . 115 LEU HA . 18458 1 1210 . 1 1 115 115 LEU HB2 H 1 1.93 0.1 . 2 . . . . 115 LEU HB2 . 18458 1 1211 . 1 1 115 115 LEU HB3 H 1 1.81 0.1 . 2 . . . . 115 LEU HB3 . 18458 1 1212 . 1 1 115 115 LEU HG H 1 1.67 0.18 . 1 . . . . 115 LEU HG . 18458 1 1213 . 1 1 115 115 LEU HD11 H 1 0.95 0.11 . 2 . . . . 115 LEU MD1 . 18458 1 1214 . 1 1 115 115 LEU HD12 H 1 0.95 0.11 . 2 . . . . 115 LEU MD1 . 18458 1 1215 . 1 1 115 115 LEU HD13 H 1 0.95 0.11 . 2 . . . . 115 LEU MD1 . 18458 1 1216 . 1 1 115 115 LEU HD21 H 1 0.47 0.28 . 2 . . . . 115 LEU MD2 . 18458 1 1217 . 1 1 115 115 LEU HD22 H 1 0.47 0.28 . 2 . . . . 115 LEU MD2 . 18458 1 1218 . 1 1 115 115 LEU HD23 H 1 0.47 0.28 . 2 . . . . 115 LEU MD2 . 18458 1 1219 . 1 1 115 115 LEU C C 13 179.36 0.28 . 1 . . . . 115 LEU C . 18458 1 1220 . 1 1 115 115 LEU CA C 13 57.72 0.23 . 1 . . . . 115 LEU CA . 18458 1 1221 . 1 1 115 115 LEU CB C 13 41.67 0.24 . 1 . . . . 115 LEU CB . 18458 1 1222 . 1 1 115 115 LEU N N 15 122 0.86 . 1 . . . . 115 LEU N . 18458 1 1223 . 1 1 116 116 LYS H H 1 7.44 0.16 . 1 . . . . 116 LYS H . 18458 1 1224 . 1 1 116 116 LYS HA H 1 4.42 0.34 . 1 . . . . 116 LYS HA . 18458 1 1225 . 1 1 116 116 LYS HB2 H 1 1.83 0.29 . 2 . . . . 116 LYS HB2 . 18458 1 1226 . 1 1 116 116 LYS HB3 H 1 1.94 0.15 . 2 . . . . 116 LYS HB3 . 18458 1 1227 . 1 1 116 116 LYS HG2 H 1 1.61 0.16 . 2 . . . . 116 LYS HG2 . 18458 1 1228 . 1 1 116 116 LYS HG3 H 1 1.34 0.12 . 2 . . . . 116 LYS HG3 . 18458 1 1229 . 1 1 116 116 LYS HD2 H 1 1.7 0.14 . 2 . . . . 116 LYS HD2 . 18458 1 1230 . 1 1 116 116 LYS HD3 H 1 1.65 0.19 . 2 . . . . 116 LYS HD3 . 18458 1 1231 . 1 1 116 116 LYS HE2 H 1 3.08 0.09 . 2 . . . . 116 LYS HE2 . 18458 1 1232 . 1 1 116 116 LYS HE3 H 1 3.02 0.17 . 2 . . . . 116 LYS HE3 . 18458 1 1233 . 1 1 116 116 LYS C C 13 178.94 0.11 . 1 . . . . 116 LYS C . 18458 1 1234 . 1 1 116 116 LYS CA C 13 58.85 0.41 . 1 . . . . 116 LYS CA . 18458 1 1235 . 1 1 116 116 LYS CB C 13 32.64 0.22 . 1 . . . . 116 LYS CB . 18458 1 1236 . 1 1 116 116 LYS N N 15 117.59 0.85 . 1 . . . . 116 LYS N . 18458 1 1237 . 1 1 117 117 LYS H H 1 7.45 0.24 . 1 . . . . 117 LYS H . 18458 1 1238 . 1 1 117 117 LYS HA H 1 4.0 0.0 . 1 . . . . 117 LYS HA . 18458 1 1239 . 1 1 117 117 LYS HB2 H 1 1.72 0.14 . 2 . . . . 117 LYS HB2 . 18458 1 1240 . 1 1 117 117 LYS HB3 H 1 1.77 0.07 . 2 . . . . 117 LYS HB3 . 18458 1 1241 . 1 1 117 117 LYS HG2 H 1 1.58 0.11 . 2 . . . . 117 LYS HG2 . 18458 1 1242 . 1 1 117 117 LYS HG3 H 1 1.5 0.08 . 2 . . . . 117 LYS HG3 . 18458 1 1243 . 1 1 117 117 LYS HD2 H 1 1.64 0.05 . 2 . . . . 117 LYS HD2 . 18458 1 1244 . 1 1 117 117 LYS HD3 H 1 1.6 0.04 . 2 . . . . 117 LYS HD3 . 18458 1 1245 . 1 1 117 117 LYS HE2 H 1 3.04 0.11 . 2 . . . . 117 LYS HE2 . 18458 1 1246 . 1 1 117 117 LYS HE3 H 1 3.1 0.08 . 2 . . . . 117 LYS HE3 . 18458 1 1247 . 1 1 117 117 LYS C C 13 178.39 0.24 . 1 . . . . 117 LYS C . 18458 1 1248 . 1 1 117 117 LYS CA C 13 59.59 0.19 . 1 . . . . 117 LYS CA . 18458 1 1249 . 1 1 117 117 LYS CB C 13 32.01 0.06 . 1 . . . . 117 LYS CB . 18458 1 1250 . 1 1 117 117 LYS N N 15 119.38 0.54 . 1 . . . . 117 LYS N . 18458 1 1251 . 1 1 118 118 HIS H H 1 7.92 0.24 . 1 . . . . 118 HIS H . 18458 1 1252 . 1 1 118 118 HIS HA H 1 4.42 0.1 . 1 . . . . 118 HIS HA . 18458 1 1253 . 1 1 118 118 HIS HB2 H 1 3.2 0.12 . 2 . . . . 118 HIS HB2 . 18458 1 1254 . 1 1 118 118 HIS HB3 H 1 3.33 0.11 . 2 . . . . 118 HIS HB3 . 18458 1 1255 . 1 1 118 118 HIS HD2 H 1 5.9 0.13 . 1 . . . . 118 HIS HD2 . 18458 1 1256 . 1 1 118 118 HIS HE1 H 1 7.17 0.02 . 1 . . . . 118 HIS HE1 . 18458 1 1257 . 1 1 118 118 HIS C C 13 175.62 0.53 . 1 . . . . 118 HIS C . 18458 1 1258 . 1 1 118 118 HIS CA C 13 56.72 1.28 . 1 . . . . 118 HIS CA . 18458 1 1259 . 1 1 118 118 HIS CB C 13 29.6 0.62 . 1 . . . . 118 HIS CB . 18458 1 1260 . 1 1 118 118 HIS N N 15 116.08 1.15 . 1 . . . . 118 HIS N . 18458 1 1261 . 1 1 119 119 GLY H H 1 7.12 0.72 . 1 . . . . 119 GLY H . 18458 1 1262 . 1 1 119 119 GLY HA2 H 1 3.95 0.16 . 2 . . . . 119 GLY HA2 . 18458 1 1263 . 1 1 119 119 GLY HA3 H 1 3.82 0.19 . 2 . . . . 119 GLY HA3 . 18458 1 1264 . 1 1 119 119 GLY C C 13 172.26 1.21 . 1 . . . . 119 GLY C . 18458 1 1265 . 1 1 119 119 GLY CA C 13 44.88 0.48 . 1 . . . . 119 GLY CA . 18458 1 1266 . 1 1 119 119 GLY N N 15 110.44 3.33 . 1 . . . . 119 GLY N . 18458 1 1267 . 1 1 120 120 PHE H H 1 8.05 0.72 . 1 . . . . 120 PHE H . 18458 1 1268 . 1 1 120 120 PHE HA H 1 4.73 0.26 . 1 . . . . 120 PHE HA . 18458 1 1269 . 1 1 120 120 PHE HB2 H 1 3.04 0.1 . 2 . . . . 120 PHE HB2 . 18458 1 1270 . 1 1 120 120 PHE HB3 H 1 2.97 0.06 . 2 . . . . 120 PHE HB3 . 18458 1 1271 . 1 1 120 120 PHE C C 13 175.24 1.13 . 1 . . . . 120 PHE C . 18458 1 1272 . 1 1 120 120 PHE CA C 13 56.24 0.57 . 1 . . . . 120 PHE CA . 18458 1 1273 . 1 1 120 120 PHE CB C 13 40.47 1.58 . 1 . . . . 120 PHE CB . 18458 1 1274 . 1 1 120 120 PHE N N 15 119.31 3.36 . 1 . . . . 120 PHE N . 18458 1 1275 . 1 1 121 121 LYS H H 1 8.37 0.49 . 1 . . . . 121 LYS H . 18458 1 1276 . 1 1 121 121 LYS HA H 1 4.23 0.14 . 1 . . . . 121 LYS HA . 18458 1 1277 . 1 1 121 121 LYS HB2 H 1 1.74 0.16 . 2 . . . . 121 LYS HB2 . 18458 1 1278 . 1 1 121 121 LYS HB3 H 1 1.76 0.12 . 2 . . . . 121 LYS HB3 . 18458 1 1279 . 1 1 121 121 LYS HG2 H 1 1.48 0.11 . 2 . . . . 121 LYS HG2 . 18458 1 1280 . 1 1 121 121 LYS HG3 H 1 1.55 0.13 . 2 . . . . 121 LYS HG3 . 18458 1 1281 . 1 1 121 121 LYS HD2 H 1 1.72 0.1 . 2 . . . . 121 LYS HD2 . 18458 1 1282 . 1 1 121 121 LYS HD3 H 1 1.74 0.19 . 2 . . . . 121 LYS HD3 . 18458 1 1283 . 1 1 121 121 LYS HE2 H 1 3.01 0.14 . 2 . . . . 121 LYS HE2 . 18458 1 1284 . 1 1 121 121 LYS HE3 H 1 2.88 0.14 . 2 . . . . 121 LYS HE3 . 18458 1 1285 . 1 1 121 121 LYS C C 13 176.81 0.2 . 1 . . . . 121 LYS C . 18458 1 1286 . 1 1 121 121 LYS CA C 13 55.7 0.65 . 1 . . . . 121 LYS CA . 18458 1 1287 . 1 1 121 121 LYS CB C 13 32.91 0.56 . 1 . . . . 121 LYS CB . 18458 1 1288 . 1 1 121 121 LYS N N 15 123.88 1.69 . 1 . . . . 121 LYS N . 18458 1 1289 . 1 1 122 122 LEU H H 1 8.43 0.13 . 1 . . . . 122 LEU H . 18458 1 1290 . 1 1 122 122 LEU HA H 1 4.16 0.08 . 1 . . . . 122 LEU HA . 18458 1 1291 . 1 1 122 122 LEU HB2 H 1 1.63 0.04 . 2 . . . . 122 LEU HB2 . 18458 1 1292 . 1 1 122 122 LEU HB3 H 1 1.56 0.03 . 2 . . . . 122 LEU HB3 . 18458 1 1293 . 1 1 122 122 LEU HG H 1 1.53 0.11 . 1 . . . . 122 LEU HG . 18458 1 1294 . 1 1 122 122 LEU HD11 H 1 0.9 0.06 . 2 . . . . 122 LEU MD1 . 18458 1 1295 . 1 1 122 122 LEU HD12 H 1 0.9 0.06 . 2 . . . . 122 LEU MD1 . 18458 1 1296 . 1 1 122 122 LEU HD13 H 1 0.9 0.06 . 2 . . . . 122 LEU MD1 . 18458 1 1297 . 1 1 122 122 LEU HD21 H 1 0.87 0.1 . 2 . . . . 122 LEU MD2 . 18458 1 1298 . 1 1 122 122 LEU HD22 H 1 0.87 0.1 . 2 . . . . 122 LEU MD2 . 18458 1 1299 . 1 1 122 122 LEU HD23 H 1 0.87 0.1 . 2 . . . . 122 LEU MD2 . 18458 1 1300 . 1 1 122 122 LEU C C 13 176.44 0.67 . 1 . . . . 122 LEU C . 18458 1 1301 . 1 1 122 122 LEU CA C 13 55.47 0.12 . 1 . . . . 122 LEU CA . 18458 1 1302 . 1 1 122 122 LEU CB C 13 42.05 0.23 . 1 . . . . 122 LEU CB . 18458 1 1303 . 1 1 122 122 LEU N N 15 122.9 0.99 . 1 . . . . 122 LEU N . 18458 1 stop_ save_