data_17290 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17290 _Entry.Title ; Backbone and side chain assignments for the intrinsically disordered cytoplasmic domain of human neuroligin-3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-09 _Entry.Accession_date 2010-11-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Kathleen Wood . . . 17290 2 Aviv Paz . . . 17290 3 Klaas Dijkstra . . . 17290 4 Ruud Scheek . M. . 17290 5 Renee Otten . . . 17290 6 Israel Silman . . . 17290 7 Joel Sussman . . . 17290 8 Frans Mulder A. A. . 17290 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Weizmann Institute of Science' . 17290 2 . 'Groningen University' . 17290 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17290 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 517 17290 '15N chemical shifts' 110 17290 '1H chemical shifts' 786 17290 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 3 . . 2012-03-13 2010-11-10 update BMRB 'update entry citation' 17290 2 . . 2011-07-01 2010-11-10 update BMRB 'update entry citation' 17290 1 . . 2011-05-02 2010-11-10 original author 'original release' 17290 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17290 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21647611 _Citation.Full_citation . _Citation.Title 'Backbone and side chain NMR assignments for the intrinsically disordered cytoplasmic domain of human neuroligin-3.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 6 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 15 _Citation.Page_last 18 _Citation.Year 2012 _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 Kathleen Wood . . . 17290 1 2 Aviv Paz . . . 17290 1 3 Klaas Dijkstra . . . 17290 1 4 Ruud Scheek . M. . 17290 1 5 Renee Otten . . . 17290 1 6 Israel Silman . . . 17290 1 7 Joel Sussman . L. . 17290 1 8 Frans Mulder . A.A. . 17290 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'cytoplasmic domain' 17290 1 IDP 17290 1 'intriniscally disordered protein' 17290 1 'neuronal cell adhesion' 17290 1 'PDZ-binding domain' 17290 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17290 _Assembly.ID 1 _Assembly.Name hNLG3cyt _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 hNLG3cyt 1 $hNLG3cyt A . yes native no no . . . 17290 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hNLG3cyt _Entity.Sf_category entity _Entity.Sf_framecode hNLG3cyt _Entity.Entry_ID 17290 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hNLG3cyt _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 ; MGSSHHHHHHSSGLVPRGSH MYRKDKRRQEPLRQPSPQRG AWAPELGAAPEEELAALQLG PTHHECEASPPHDTLRLTAL PDYTLTLRRSPDDIPLMTPN TITMIPNSLVGLQTLHPYNT FAAGFNSTGLPHSHSTTRV ; _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 139 _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 DBJ BAA96004 . "KIAA1480 protein [Homo sapiens]" . . . . . 84.89 682 98.31 98.31 1.29e-71 . . . . 17290 1 2 no DBJ BAC11226 . "unnamed protein product [Homo sapiens]" . . . . . 84.89 335 98.31 98.31 7.48e-74 . . . . 17290 1 3 no DBJ BAG10465 . "neuroligin-3 precursor [synthetic construct]" . . . . . 84.89 808 98.31 98.31 3.19e-70 . . . . 17290 1 4 no DBJ BAG37248 . "unnamed protein product [Homo sapiens]" . . . . . 84.89 828 98.31 98.31 2.99e-70 . . . . 17290 1 5 no DBJ BAH12284 . "unnamed protein product [Homo sapiens]" . . . . . 84.89 691 98.31 98.31 1.71e-71 . . . . 17290 1 6 no GB AAF71230 . "neuroligin 3 isoform HNL3 [Homo sapiens]" . . . . . 84.89 828 98.31 98.31 3.62e-70 . . . . 17290 1 7 no GB AAF71232 . "neuroligin 3 isoform [Homo sapiens]" . . . . . 84.89 828 98.31 98.31 2.75e-70 . . . . 17290 1 8 no GB AAF71233 . "neuroligin 3 isoform [Homo sapiens]" . . . . . 84.89 848 98.31 98.31 3.04e-70 . . . . 17290 1 9 no GB AAH51715 . "Neuroligin 3 [Homo sapiens]" . . . . . 84.89 828 100.00 100.00 6.59e-73 . . . . 17290 1 10 no GB AAI23786 . "Neuroligin 3 [Bos taurus]" . . . . . 84.89 808 97.46 97.46 1.40e-69 . . . . 17290 1 11 no REF NP_001068972 . "neuroligin-3 precursor [Bos taurus]" . . . . . 84.89 808 97.46 97.46 1.40e-69 . . . . 17290 1 12 no REF NP_001126437 . "neuroligin-3 precursor [Pongo abelii]" . . . . . 84.89 828 98.31 98.31 2.78e-70 . . . . 17290 1 13 no REF NP_001160132 . "neuroligin-3 isoform 3 precursor [Homo sapiens]" . . . . . 84.89 808 98.31 98.31 3.19e-70 . . . . 17290 1 14 no REF NP_061850 . "neuroligin-3 isoform 2 precursor [Homo sapiens]" . . . . . 84.89 828 98.31 98.31 2.75e-70 . . . . 17290 1 15 no REF NP_851820 . "neuroligin-3 isoform 1 precursor [Homo sapiens]" . . . . . 84.89 848 98.31 98.31 3.04e-70 . . . . 17290 1 16 no SP Q9NZ94 . "RecName: Full=Neuroligin-3; AltName: Full=Gliotactin homolog; Flags: Precursor" . . . . . 84.89 848 98.31 98.31 3.04e-70 . . . . 17290 1 17 no TPG DAA12918 . "TPA: neuroligin 3 [Bos taurus]" . . . . . 84.89 808 97.46 97.46 1.40e-69 . . . . 17290 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'neuronal cell adhesion' 17290 1 'protein-protein interaction' 17290 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17290 1 2 . GLY . 17290 1 3 . SER . 17290 1 4 . SER . 17290 1 5 . HIS . 17290 1 6 . HIS . 17290 1 7 . HIS . 17290 1 8 . HIS . 17290 1 9 . HIS . 17290 1 10 . HIS . 17290 1 11 . SER . 17290 1 12 . SER . 17290 1 13 . GLY . 17290 1 14 . LEU . 17290 1 15 . VAL . 17290 1 16 . PRO . 17290 1 17 . ARG . 17290 1 18 . GLY . 17290 1 19 . SER . 17290 1 20 . HIS . 17290 1 21 . MET . 17290 1 22 . TYR . 17290 1 23 . ARG . 17290 1 24 . LYS . 17290 1 25 . ASP . 17290 1 26 . LYS . 17290 1 27 . ARG . 17290 1 28 . ARG . 17290 1 29 . GLN . 17290 1 30 . GLU . 17290 1 31 . PRO . 17290 1 32 . LEU . 17290 1 33 . ARG . 17290 1 34 . GLN . 17290 1 35 . PRO . 17290 1 36 . SER . 17290 1 37 . PRO . 17290 1 38 . GLN . 17290 1 39 . ARG . 17290 1 40 . GLY . 17290 1 41 . ALA . 17290 1 42 . TRP . 17290 1 43 . ALA . 17290 1 44 . PRO . 17290 1 45 . GLU . 17290 1 46 . LEU . 17290 1 47 . GLY . 17290 1 48 . ALA . 17290 1 49 . ALA . 17290 1 50 . PRO . 17290 1 51 . GLU . 17290 1 52 . GLU . 17290 1 53 . GLU . 17290 1 54 . LEU . 17290 1 55 . ALA . 17290 1 56 . ALA . 17290 1 57 . LEU . 17290 1 58 . GLN . 17290 1 59 . LEU . 17290 1 60 . GLY . 17290 1 61 . PRO . 17290 1 62 . THR . 17290 1 63 . HIS . 17290 1 64 . HIS . 17290 1 65 . GLU . 17290 1 66 . CYS . 17290 1 67 . GLU . 17290 1 68 . ALA . 17290 1 69 . SER . 17290 1 70 . PRO . 17290 1 71 . PRO . 17290 1 72 . HIS . 17290 1 73 . ASP . 17290 1 74 . THR . 17290 1 75 . LEU . 17290 1 76 . ARG . 17290 1 77 . LEU . 17290 1 78 . THR . 17290 1 79 . ALA . 17290 1 80 . LEU . 17290 1 81 . PRO . 17290 1 82 . ASP . 17290 1 83 . TYR . 17290 1 84 . THR . 17290 1 85 . LEU . 17290 1 86 . THR . 17290 1 87 . LEU . 17290 1 88 . ARG . 17290 1 89 . ARG . 17290 1 90 . SER . 17290 1 91 . PRO . 17290 1 92 . ASP . 17290 1 93 . ASP . 17290 1 94 . ILE . 17290 1 95 . PRO . 17290 1 96 . LEU . 17290 1 97 . MET . 17290 1 98 . THR . 17290 1 99 . PRO . 17290 1 100 . ASN . 17290 1 101 . THR . 17290 1 102 . ILE . 17290 1 103 . THR . 17290 1 104 . MET . 17290 1 105 . ILE . 17290 1 106 . PRO . 17290 1 107 . ASN . 17290 1 108 . SER . 17290 1 109 . LEU . 17290 1 110 . VAL . 17290 1 111 . GLY . 17290 1 112 . LEU . 17290 1 113 . GLN . 17290 1 114 . THR . 17290 1 115 . LEU . 17290 1 116 . HIS . 17290 1 117 . PRO . 17290 1 118 . TYR . 17290 1 119 . ASN . 17290 1 120 . THR . 17290 1 121 . PHE . 17290 1 122 . ALA . 17290 1 123 . ALA . 17290 1 124 . GLY . 17290 1 125 . PHE . 17290 1 126 . ASN . 17290 1 127 . SER . 17290 1 128 . THR . 17290 1 129 . GLY . 17290 1 130 . LEU . 17290 1 131 . PRO . 17290 1 132 . HIS . 17290 1 133 . SER . 17290 1 134 . HIS . 17290 1 135 . SER . 17290 1 136 . THR . 17290 1 137 . THR . 17290 1 138 . ARG . 17290 1 139 . VAL . 17290 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17290 1 . GLY 2 2 17290 1 . SER 3 3 17290 1 . SER 4 4 17290 1 . HIS 5 5 17290 1 . HIS 6 6 17290 1 . HIS 7 7 17290 1 . HIS 8 8 17290 1 . HIS 9 9 17290 1 . HIS 10 10 17290 1 . SER 11 11 17290 1 . SER 12 12 17290 1 . GLY 13 13 17290 1 . LEU 14 14 17290 1 . VAL 15 15 17290 1 . PRO 16 16 17290 1 . ARG 17 17 17290 1 . GLY 18 18 17290 1 . SER 19 19 17290 1 . HIS 20 20 17290 1 . MET 21 21 17290 1 . TYR 22 22 17290 1 . ARG 23 23 17290 1 . LYS 24 24 17290 1 . ASP 25 25 17290 1 . LYS 26 26 17290 1 . ARG 27 27 17290 1 . ARG 28 28 17290 1 . GLN 29 29 17290 1 . GLU 30 30 17290 1 . PRO 31 31 17290 1 . LEU 32 32 17290 1 . ARG 33 33 17290 1 . GLN 34 34 17290 1 . PRO 35 35 17290 1 . SER 36 36 17290 1 . PRO 37 37 17290 1 . GLN 38 38 17290 1 . ARG 39 39 17290 1 . GLY 40 40 17290 1 . ALA 41 41 17290 1 . TRP 42 42 17290 1 . ALA 43 43 17290 1 . PRO 44 44 17290 1 . GLU 45 45 17290 1 . LEU 46 46 17290 1 . GLY 47 47 17290 1 . ALA 48 48 17290 1 . ALA 49 49 17290 1 . PRO 50 50 17290 1 . GLU 51 51 17290 1 . GLU 52 52 17290 1 . GLU 53 53 17290 1 . LEU 54 54 17290 1 . ALA 55 55 17290 1 . ALA 56 56 17290 1 . LEU 57 57 17290 1 . GLN 58 58 17290 1 . LEU 59 59 17290 1 . GLY 60 60 17290 1 . PRO 61 61 17290 1 . THR 62 62 17290 1 . HIS 63 63 17290 1 . HIS 64 64 17290 1 . GLU 65 65 17290 1 . CYS 66 66 17290 1 . GLU 67 67 17290 1 . ALA 68 68 17290 1 . SER 69 69 17290 1 . PRO 70 70 17290 1 . PRO 71 71 17290 1 . HIS 72 72 17290 1 . ASP 73 73 17290 1 . THR 74 74 17290 1 . LEU 75 75 17290 1 . ARG 76 76 17290 1 . LEU 77 77 17290 1 . THR 78 78 17290 1 . ALA 79 79 17290 1 . LEU 80 80 17290 1 . PRO 81 81 17290 1 . ASP 82 82 17290 1 . TYR 83 83 17290 1 . THR 84 84 17290 1 . LEU 85 85 17290 1 . THR 86 86 17290 1 . LEU 87 87 17290 1 . ARG 88 88 17290 1 . ARG 89 89 17290 1 . SER 90 90 17290 1 . PRO 91 91 17290 1 . ASP 92 92 17290 1 . ASP 93 93 17290 1 . ILE 94 94 17290 1 . PRO 95 95 17290 1 . LEU 96 96 17290 1 . MET 97 97 17290 1 . THR 98 98 17290 1 . PRO 99 99 17290 1 . ASN 100 100 17290 1 . THR 101 101 17290 1 . ILE 102 102 17290 1 . THR 103 103 17290 1 . MET 104 104 17290 1 . ILE 105 105 17290 1 . PRO 106 106 17290 1 . ASN 107 107 17290 1 . SER 108 108 17290 1 . LEU 109 109 17290 1 . VAL 110 110 17290 1 . GLY 111 111 17290 1 . LEU 112 112 17290 1 . GLN 113 113 17290 1 . THR 114 114 17290 1 . LEU 115 115 17290 1 . HIS 116 116 17290 1 . PRO 117 117 17290 1 . TYR 118 118 17290 1 . ASN 119 119 17290 1 . THR 120 120 17290 1 . PHE 121 121 17290 1 . ALA 122 122 17290 1 . ALA 123 123 17290 1 . GLY 124 124 17290 1 . PHE 125 125 17290 1 . ASN 126 126 17290 1 . SER 127 127 17290 1 . THR 128 128 17290 1 . GLY 129 129 17290 1 . LEU 130 130 17290 1 . PRO 131 131 17290 1 . HIS 132 132 17290 1 . SER 133 133 17290 1 . HIS 134 134 17290 1 . SER 135 135 17290 1 . THR 136 136 17290 1 . THR 137 137 17290 1 . ARG 138 138 17290 1 . VAL 139 139 17290 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 17290 _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 $hNLG3cyt . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . NLGN3 . . . . 17290 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 17290 _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 $hNLG3cyt . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BLR(DE3) . . . . . . . . . . . . . . . pET28a . . . . . . 17290 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17290 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 hNLG3cyt '[U-99% 13C; U-99% 15N]' . . 1 $hNLG3cyt . . 1 . . mM . . . . 17290 1 2 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 17290 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17290 1 4 azide 'natural abundance' . . . . . . 0.02 . . % . . . . 17290 1 5 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17290 1 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17290 1 7 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17290 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 17290 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 . pH 17290 1 pressure 1 . atm 17290 1 temperature 298 . K 17290 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17290 _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 . . 17290 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17290 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17290 _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' . . 17290 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17290 2 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 17290 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17290 _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 Varian INOVA . 600 . . . 17290 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 17290 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17290 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17290 1 3 '3D C-TOCSY-(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17290 1 4 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17290 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17290 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17290 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17290 1 8 '4D (HA)CACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17290 1 9 '3D (HN)CO(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17290 1 10 '3D 1H-15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17290 1 11 '3D 1H-15N TOCSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17290 1 12 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17290 1 13 '3D COCAHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17290 1 14 '3D HNN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17290 1 15 '3D HNcN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17290 1 16 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17290 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 17290 _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 . . . . . . . . . 17290 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17290 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17290 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 17290 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 17290 1 5 '3D CBCA(CO)NH' . . . 17290 1 7 '3D HNCO' . . . 17290 1 13 '3D COCAHA' . . . 17290 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 17290 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 10 10 HIS HA H 1 4.718 0.000 . 1 . . . . 10 HIS HA . 17290 1 2 . 1 1 10 10 HIS HB2 H 1 3.133 0.001 . 2 . . . . 10 HIS HB2 . 17290 1 3 . 1 1 10 10 HIS HB3 H 1 3.231 0.008 . 2 . . . . 10 HIS HB3 . 17290 1 4 . 1 1 10 10 HIS C C 13 174.794 0.033 . 1 . . . . 10 HIS C . 17290 1 5 . 1 1 10 10 HIS CA C 13 55.785 0.048 . 1 . . . . 10 HIS CA . 17290 1 6 . 1 1 10 10 HIS CB C 13 29.827 0.026 . 1 . . . . 10 HIS CB . 17290 1 7 . 1 1 11 11 SER H H 1 8.376 0.006 . 1 . . . . 11 SER H . 17290 1 8 . 1 1 11 11 SER HA H 1 4.457 0.003 . 1 . . . . 11 SER HA . 17290 1 9 . 1 1 11 11 SER HB2 H 1 3.821 0.005 . 2 . . . . 11 SER HB2 . 17290 1 10 . 1 1 11 11 SER HB3 H 1 3.826 0.000 . 2 . . . . 11 SER HB3 . 17290 1 11 . 1 1 11 11 SER C C 13 174.585 0.015 . 1 . . . . 11 SER C . 17290 1 12 . 1 1 11 11 SER CA C 13 58.363 0.071 . 1 . . . . 11 SER CA . 17290 1 13 . 1 1 11 11 SER CB C 13 63.858 0.042 . 1 . . . . 11 SER CB . 17290 1 14 . 1 1 11 11 SER N N 15 117.106 0.017 . 1 . . . . 11 SER N . 17290 1 15 . 1 1 12 12 SER H H 1 8.517 0.006 . 1 . . . . 12 SER H . 17290 1 16 . 1 1 12 12 SER HA H 1 4.447 0.009 . 1 . . . . 12 SER HA . 17290 1 17 . 1 1 12 12 SER HB2 H 1 3.884 0.003 . 2 . . . . 12 SER HB2 . 17290 1 18 . 1 1 12 12 SER HB3 H 1 3.885 0.004 . 2 . . . . 12 SER HB3 . 17290 1 19 . 1 1 12 12 SER C C 13 174.936 0.011 . 1 . . . . 12 SER C . 17290 1 20 . 1 1 12 12 SER CA C 13 58.617 0.070 . 1 . . . . 12 SER CA . 17290 1 21 . 1 1 12 12 SER CB C 13 63.846 0.056 . 1 . . . . 12 SER CB . 17290 1 22 . 1 1 12 12 SER N N 15 118.200 0.041 . 1 . . . . 12 SER N . 17290 1 23 . 1 1 13 13 GLY H H 1 8.407 0.005 . 1 . . . . 13 GLY H . 17290 1 24 . 1 1 13 13 GLY HA2 H 1 3.931 0.008 . 2 . . . . 13 GLY HA2 . 17290 1 25 . 1 1 13 13 GLY HA3 H 1 3.938 0.001 . 2 . . . . 13 GLY HA3 . 17290 1 26 . 1 1 13 13 GLY C C 13 173.788 0.007 . 1 . . . . 13 GLY C . 17290 1 27 . 1 1 13 13 GLY CA C 13 45.250 0.028 . 1 . . . . 13 GLY CA . 17290 1 28 . 1 1 13 13 GLY N N 15 110.552 0.018 . 1 . . . . 13 GLY N . 17290 1 29 . 1 1 14 14 LEU H H 1 8.065 0.010 . 1 . . . . 14 LEU H . 17290 1 30 . 1 1 14 14 LEU HA H 1 4.343 0.006 . 1 . . . . 14 LEU HA . 17290 1 31 . 1 1 14 14 LEU HB2 H 1 1.539 0.013 . 2 . . . . 14 LEU HB2 . 17290 1 32 . 1 1 14 14 LEU HB3 H 1 1.539 0.013 . 2 . . . . 14 LEU HB3 . 17290 1 33 . 1 1 14 14 LEU HG H 1 1.540 0.014 . 1 . . . . 14 LEU HG . 17290 1 34 . 1 1 14 14 LEU HD11 H 1 0.854 0.016 . 1 . . . . 14 LEU MD1 . 17290 1 35 . 1 1 14 14 LEU HD12 H 1 0.854 0.016 . 1 . . . . 14 LEU MD1 . 17290 1 36 . 1 1 14 14 LEU HD13 H 1 0.854 0.016 . 1 . . . . 14 LEU MD1 . 17290 1 37 . 1 1 14 14 LEU HD21 H 1 0.827 0.011 . 1 . . . . 14 LEU MD2 . 17290 1 38 . 1 1 14 14 LEU HD22 H 1 0.827 0.011 . 1 . . . . 14 LEU MD2 . 17290 1 39 . 1 1 14 14 LEU HD23 H 1 0.827 0.011 . 1 . . . . 14 LEU MD2 . 17290 1 40 . 1 1 14 14 LEU C C 13 177.117 0.018 . 1 . . . . 14 LEU C . 17290 1 41 . 1 1 14 14 LEU CA C 13 55.049 0.053 . 1 . . . . 14 LEU CA . 17290 1 42 . 1 1 14 14 LEU CB C 13 42.414 0.031 . 1 . . . . 14 LEU CB . 17290 1 43 . 1 1 14 14 LEU CG C 13 27.010 0.000 . 1 . . . . 14 LEU CG . 17290 1 44 . 1 1 14 14 LEU CD1 C 13 24.881 0.000 . 1 . . . . 14 LEU CD1 . 17290 1 45 . 1 1 14 14 LEU CD2 C 13 23.546 0.000 . 1 . . . . 14 LEU CD2 . 17290 1 46 . 1 1 14 14 LEU N N 15 121.614 0.031 . 1 . . . . 14 LEU N . 17290 1 47 . 1 1 15 15 VAL H H 1 8.128 0.005 . 1 . . . . 15 VAL H . 17290 1 48 . 1 1 15 15 VAL HA H 1 4.375 0.003 . 1 . . . . 15 VAL HA . 17290 1 49 . 1 1 15 15 VAL HB H 1 2.032 0.002 . 1 . . . . 15 VAL HB . 17290 1 50 . 1 1 15 15 VAL HG11 H 1 0.908 0.001 . 1 . . . . 15 VAL MG1 . 17290 1 51 . 1 1 15 15 VAL HG12 H 1 0.908 0.001 . 1 . . . . 15 VAL MG1 . 17290 1 52 . 1 1 15 15 VAL HG13 H 1 0.908 0.001 . 1 . . . . 15 VAL MG1 . 17290 1 53 . 1 1 15 15 VAL HG21 H 1 0.901 0.008 . 1 . . . . 15 VAL MG2 . 17290 1 54 . 1 1 15 15 VAL HG22 H 1 0.901 0.008 . 1 . . . . 15 VAL MG2 . 17290 1 55 . 1 1 15 15 VAL HG23 H 1 0.901 0.008 . 1 . . . . 15 VAL MG2 . 17290 1 56 . 1 1 15 15 VAL C C 13 174.414 0.000 . 1 . . . . 15 VAL C . 17290 1 57 . 1 1 15 15 VAL CA C 13 59.791 0.022 . 1 . . . . 15 VAL CA . 17290 1 58 . 1 1 15 15 VAL CB C 13 32.630 0.002 . 1 . . . . 15 VAL CB . 17290 1 59 . 1 1 15 15 VAL CG1 C 13 21.110 0.000 . 1 . . . . 15 VAL CG1 . 17290 1 60 . 1 1 15 15 VAL CG2 C 13 20.411 0.000 . 1 . . . . 15 VAL CG2 . 17290 1 61 . 1 1 15 15 VAL N N 15 122.818 0.027 . 1 . . . . 15 VAL N . 17290 1 62 . 1 1 16 16 PRO HA H 1 4.381 0.002 . 1 . . . . 16 PRO HA . 17290 1 63 . 1 1 16 16 PRO HB2 H 1 2.252 0.000 . 2 . . . . 16 PRO HB2 . 17290 1 64 . 1 1 16 16 PRO HB3 H 1 1.854 0.000 . 2 . . . . 16 PRO HB3 . 17290 1 65 . 1 1 16 16 PRO HG2 H 1 2.007 0.000 . 2 . . . . 16 PRO HG2 . 17290 1 66 . 1 1 16 16 PRO HG3 H 1 1.924 0.000 . 2 . . . . 16 PRO HG3 . 17290 1 67 . 1 1 16 16 PRO HD2 H 1 3.630 0.000 . 2 . . . . 16 PRO HD2 . 17290 1 68 . 1 1 16 16 PRO HD3 H 1 3.847 0.000 . 2 . . . . 16 PRO HD3 . 17290 1 69 . 1 1 16 16 PRO C C 13 176.899 0.012 . 1 . . . . 16 PRO C . 17290 1 70 . 1 1 16 16 PRO CA C 13 63.124 0.074 . 1 . . . . 16 PRO CA . 17290 1 71 . 1 1 16 16 PRO CB C 13 32.115 0.045 . 1 . . . . 16 PRO CB . 17290 1 72 . 1 1 16 16 PRO CG C 13 27.513 0.000 . 1 . . . . 16 PRO CG . 17290 1 73 . 1 1 16 16 PRO CD C 13 51.036 0.000 . 1 . . . . 16 PRO CD . 17290 1 74 . 1 1 17 17 ARG H H 1 8.483 0.005 . 1 . . . . 17 ARG H . 17290 1 75 . 1 1 17 17 ARG HA H 1 4.245 0.006 . 1 . . . . 17 ARG HA . 17290 1 76 . 1 1 17 17 ARG HB2 H 1 1.801 0.024 . 2 . . . . 17 ARG HB2 . 17290 1 77 . 1 1 17 17 ARG HB3 H 1 1.766 0.012 . 2 . . . . 17 ARG HB3 . 17290 1 78 . 1 1 17 17 ARG HG2 H 1 1.663 0.019 . 2 . . . . 17 ARG HG2 . 17290 1 79 . 1 1 17 17 ARG HG3 H 1 1.628 0.016 . 2 . . . . 17 ARG HG3 . 17290 1 80 . 1 1 17 17 ARG HD2 H 1 3.176 0.013 . 2 . . . . 17 ARG HD2 . 17290 1 81 . 1 1 17 17 ARG HD3 H 1 3.176 0.013 . 2 . . . . 17 ARG HD3 . 17290 1 82 . 1 1 17 17 ARG C C 13 176.984 0.008 . 1 . . . . 17 ARG C . 17290 1 83 . 1 1 17 17 ARG CA C 13 56.459 0.040 . 1 . . . . 17 ARG CA . 17290 1 84 . 1 1 17 17 ARG CB C 13 30.869 0.046 . 1 . . . . 17 ARG CB . 17290 1 85 . 1 1 17 17 ARG CG C 13 27.108 0.000 . 1 . . . . 17 ARG CG . 17290 1 86 . 1 1 17 17 ARG CD C 13 43.344 0.000 . 1 . . . . 17 ARG CD . 17290 1 87 . 1 1 17 17 ARG N N 15 121.985 0.017 . 1 . . . . 17 ARG N . 17290 1 88 . 1 1 18 18 GLY H H 1 8.478 0.004 . 1 . . . . 18 GLY H . 17290 1 89 . 1 1 18 18 GLY HA2 H 1 3.954 0.008 . 2 . . . . 18 GLY HA2 . 17290 1 90 . 1 1 18 18 GLY HA3 H 1 3.960 0.002 . 2 . . . . 18 GLY HA3 . 17290 1 91 . 1 1 18 18 GLY C C 13 174.221 0.021 . 1 . . . . 18 GLY C . 17290 1 92 . 1 1 18 18 GLY CA C 13 45.306 0.028 . 1 . . . . 18 GLY CA . 17290 1 93 . 1 1 18 18 GLY N N 15 110.210 0.026 . 1 . . . . 18 GLY N . 17290 1 94 . 1 1 19 19 SER H H 1 8.211 0.004 . 1 . . . . 19 SER H . 17290 1 95 . 1 1 19 19 SER HA H 1 4.389 0.021 . 1 . . . . 19 SER HA . 17290 1 96 . 1 1 19 19 SER HB2 H 1 3.809 0.000 . 1 . . . . 19 SER HB2 . 17290 1 97 . 1 1 19 19 SER HB3 H 1 3.809 0.000 . 1 . . . . 19 SER HB3 . 17290 1 98 . 1 1 19 19 SER C C 13 174.609 0.000 . 1 . . . . 19 SER C . 17290 1 99 . 1 1 19 19 SER CA C 13 58.614 0.045 . 1 . . . . 19 SER CA . 17290 1 100 . 1 1 19 19 SER CB C 13 63.773 0.000 . 1 . . . . 19 SER CB . 17290 1 101 . 1 1 19 19 SER N N 15 115.467 0.031 . 1 . . . . 19 SER N . 17290 1 102 . 1 1 20 20 HIS HA H 1 4.578 0.000 . 1 . . . . 20 HIS HA . 17290 1 103 . 1 1 20 20 HIS HB2 H 1 3.091 0.000 . 1 . . . . 20 HIS HB2 . 17290 1 104 . 1 1 20 20 HIS HB3 H 1 3.091 0.000 . 1 . . . . 20 HIS HB3 . 17290 1 105 . 1 1 20 20 HIS C C 13 174.921 0.028 . 1 . . . . 20 HIS C . 17290 1 106 . 1 1 20 20 HIS CA C 13 56.139 0.052 . 1 . . . . 20 HIS CA . 17290 1 107 . 1 1 20 20 HIS CB C 13 29.842 0.022 . 1 . . . . 20 HIS CB . 17290 1 108 . 1 1 21 21 MET H H 1 8.177 0.006 . 1 . . . . 21 MET H . 17290 1 109 . 1 1 21 21 MET HA H 1 4.343 0.007 . 1 . . . . 21 MET HA . 17290 1 110 . 1 1 21 21 MET HB2 H 1 2.306 0.000 . 2 . . . . 21 MET HB2 . 17290 1 111 . 1 1 21 21 MET HB3 H 1 1.847 0.019 . 2 . . . . 21 MET HB3 . 17290 1 112 . 1 1 21 21 MET HG2 H 1 2.365 0.004 . 2 . . . . 21 MET HG2 . 17290 1 113 . 1 1 21 21 MET HG3 H 1 2.369 0.000 . 2 . . . . 21 MET HG3 . 17290 1 114 . 1 1 21 21 MET HE1 H 1 2.046 0.000 . 1 . . . . 21 MET ME . 17290 1 115 . 1 1 21 21 MET HE2 H 1 2.046 0.000 . 1 . . . . 21 MET ME . 17290 1 116 . 1 1 21 21 MET HE3 H 1 2.046 0.000 . 1 . . . . 21 MET ME . 17290 1 117 . 1 1 21 21 MET C C 13 175.652 0.021 . 1 . . . . 21 MET C . 17290 1 118 . 1 1 21 21 MET CA C 13 55.588 0.038 . 1 . . . . 21 MET CA . 17290 1 119 . 1 1 21 21 MET CB C 13 32.693 0.017 . 1 . . . . 21 MET CB . 17290 1 120 . 1 1 21 21 MET CG C 13 31.835 0.014 . 1 . . . . 21 MET CG . 17290 1 121 . 1 1 21 21 MET CE C 13 17.048 0.000 . 1 . . . . 21 MET CE . 17290 1 122 . 1 1 21 21 MET N N 15 120.755 0.056 . 1 . . . . 21 MET N . 17290 1 123 . 1 1 22 22 TYR H H 1 8.149 0.005 . 1 . . . . 22 TYR H . 17290 1 124 . 1 1 22 22 TYR HA H 1 4.542 0.005 . 1 . . . . 22 TYR HA . 17290 1 125 . 1 1 22 22 TYR HB2 H 1 3.027 0.004 . 1 . . . . 22 TYR HB2 . 17290 1 126 . 1 1 22 22 TYR HB3 H 1 2.917 0.002 . 1 . . . . 22 TYR HB3 . 17290 1 127 . 1 1 22 22 TYR C C 13 175.547 0.022 . 1 . . . . 22 TYR C . 17290 1 128 . 1 1 22 22 TYR CA C 13 57.836 0.020 . 1 . . . . 22 TYR CA . 17290 1 129 . 1 1 22 22 TYR CB C 13 38.727 0.017 . 1 . . . . 22 TYR CB . 17290 1 130 . 1 1 22 22 TYR N N 15 121.295 0.037 . 1 . . . . 22 TYR N . 17290 1 131 . 1 1 23 23 ARG H H 1 8.164 0.005 . 1 . . . . 23 ARG H . 17290 1 132 . 1 1 23 23 ARG HA H 1 4.329 0.000 . 1 . . . . 23 ARG HA . 17290 1 133 . 1 1 23 23 ARG C C 13 175.919 0.016 . 1 . . . . 23 ARG C . 17290 1 134 . 1 1 23 23 ARG CA C 13 55.854 0.074 . 1 . . . . 23 ARG CA . 17290 1 135 . 1 1 23 23 ARG CB C 13 31.041 0.042 . 1 . . . . 23 ARG CB . 17290 1 136 . 1 1 23 23 ARG CG C 13 27.220 0.000 . 1 . . . . 23 ARG CG . 17290 1 137 . 1 1 23 23 ARG CD C 13 43.300 0.000 . 1 . . . . 23 ARG CD . 17290 1 138 . 1 1 23 23 ARG N N 15 123.007 0.021 . 1 . . . . 23 ARG N . 17290 1 139 . 1 1 24 24 LYS H H 1 8.359 0.005 . 1 . . . . 24 LYS H . 17290 1 140 . 1 1 24 24 LYS HA H 1 4.210 0.003 . 1 . . . . 24 LYS HA . 17290 1 141 . 1 1 24 24 LYS HB2 H 1 1.798 0.007 . 1 . . . . 24 LYS HB2 . 17290 1 142 . 1 1 24 24 LYS HB3 H 1 1.718 0.001 . 1 . . . . 24 LYS HB3 . 17290 1 143 . 1 1 24 24 LYS HG2 H 1 1.398 0.012 . 2 . . . . 24 LYS HG2 . 17290 1 144 . 1 1 24 24 LYS HG3 H 1 1.401 0.014 . 2 . . . . 24 LYS HG3 . 17290 1 145 . 1 1 24 24 LYS HD2 H 1 1.673 0.000 . 1 . . . . 24 LYS HD2 . 17290 1 146 . 1 1 24 24 LYS HD3 H 1 1.673 0.000 . 1 . . . . 24 LYS HD3 . 17290 1 147 . 1 1 24 24 LYS HE2 H 1 2.971 0.007 . 2 . . . . 24 LYS HE2 . 17290 1 148 . 1 1 24 24 LYS HE3 H 1 2.978 0.000 . 2 . . . . 24 LYS HE3 . 17290 1 149 . 1 1 24 24 LYS C C 13 176.147 0.010 . 1 . . . . 24 LYS C . 17290 1 150 . 1 1 24 24 LYS CA C 13 56.632 0.041 . 1 . . . . 24 LYS CA . 17290 1 151 . 1 1 24 24 LYS CB C 13 32.949 0.042 . 1 . . . . 24 LYS CB . 17290 1 152 . 1 1 24 24 LYS CG C 13 24.821 0.033 . 1 . . . . 24 LYS CG . 17290 1 153 . 1 1 24 24 LYS CD C 13 29.315 0.000 . 1 . . . . 24 LYS CD . 17290 1 154 . 1 1 24 24 LYS CE C 13 42.133 0.015 . 1 . . . . 24 LYS CE . 17290 1 155 . 1 1 24 24 LYS N N 15 122.776 0.054 . 1 . . . . 24 LYS N . 17290 1 156 . 1 1 25 25 ASP H H 1 8.331 0.004 . 1 . . . . 25 ASP H . 17290 1 157 . 1 1 25 25 ASP HA H 1 4.552 0.011 . 1 . . . . 25 ASP HA . 17290 1 158 . 1 1 25 25 ASP HB2 H 1 2.665 0.015 . 2 . . . . 25 ASP HB2 . 17290 1 159 . 1 1 25 25 ASP HB3 H 1 2.639 0.011 . 2 . . . . 25 ASP HB3 . 17290 1 160 . 1 1 25 25 ASP C C 13 176.156 0.019 . 1 . . . . 25 ASP C . 17290 1 161 . 1 1 25 25 ASP CA C 13 54.062 0.031 . 1 . . . . 25 ASP CA . 17290 1 162 . 1 1 25 25 ASP CB C 13 41.306 0.027 . 1 . . . . 25 ASP CB . 17290 1 163 . 1 1 25 25 ASP N N 15 121.051 0.042 . 1 . . . . 25 ASP N . 17290 1 164 . 1 1 26 26 LYS H H 1 8.258 0.005 . 1 . . . . 26 LYS H . 17290 1 165 . 1 1 26 26 LYS HA H 1 4.247 0.002 . 1 . . . . 26 LYS HA . 17290 1 166 . 1 1 26 26 LYS HB2 H 1 1.778 0.055 . 1 . . . . 26 LYS HB2 . 17290 1 167 . 1 1 26 26 LYS HG2 H 1 1.389 0.005 . 1 . . . . 26 LYS HG2 . 17290 1 168 . 1 1 26 26 LYS HG3 H 1 1.389 0.005 . 1 . . . . 26 LYS HG3 . 17290 1 169 . 1 1 26 26 LYS HE3 H 1 2.961 0.000 . 1 . . . . 26 LYS HE3 . 17290 1 170 . 1 1 26 26 LYS C C 13 176.577 0.019 . 1 . . . . 26 LYS C . 17290 1 171 . 1 1 26 26 LYS CA C 13 56.493 0.056 . 1 . . . . 26 LYS CA . 17290 1 172 . 1 1 26 26 LYS CB C 13 32.796 0.011 . 1 . . . . 26 LYS CB . 17290 1 173 . 1 1 26 26 LYS CG C 13 24.853 0.000 . 1 . . . . 26 LYS CG . 17290 1 174 . 1 1 26 26 LYS CD C 13 29.301 0.000 . 1 . . . . 26 LYS CD . 17290 1 175 . 1 1 26 26 LYS CE C 13 42.107 0.000 . 1 . . . . 26 LYS CE . 17290 1 176 . 1 1 26 26 LYS N N 15 121.940 0.022 . 1 . . . . 26 LYS N . 17290 1 177 . 1 1 27 27 ARG H H 1 8.324 0.004 . 1 . . . . 27 ARG H . 17290 1 178 . 1 1 27 27 ARG HA H 1 4.247 0.005 . 1 . . . . 27 ARG HA . 17290 1 179 . 1 1 27 27 ARG HB2 H 1 1.788 0.002 . 1 . . . . 27 ARG HB2 . 17290 1 180 . 1 1 27 27 ARG HB3 H 1 1.788 0.002 . 1 . . . . 27 ARG HB3 . 17290 1 181 . 1 1 27 27 ARG HG2 H 1 1.612 0.004 . 1 . . . . 27 ARG HG2 . 17290 1 182 . 1 1 27 27 ARG HG3 H 1 1.612 0.004 . 1 . . . . 27 ARG HG3 . 17290 1 183 . 1 1 27 27 ARG HD2 H 1 3.167 0.000 . 1 . . . . 27 ARG HD2 . 17290 1 184 . 1 1 27 27 ARG HD3 H 1 3.167 0.000 . 1 . . . . 27 ARG HD3 . 17290 1 185 . 1 1 27 27 ARG C C 13 176.365 0.004 . 1 . . . . 27 ARG C . 17290 1 186 . 1 1 27 27 ARG CA C 13 56.334 0.049 . 1 . . . . 27 ARG CA . 17290 1 187 . 1 1 27 27 ARG CB C 13 30.724 0.089 . 1 . . . . 27 ARG CB . 17290 1 188 . 1 1 27 27 ARG CD C 13 43.356 0.000 . 1 . . . . 27 ARG CD . 17290 1 189 . 1 1 27 27 ARG N N 15 121.566 0.050 . 1 . . . . 27 ARG N . 17290 1 190 . 1 1 28 28 ARG H H 1 8.308 0.006 . 1 . . . . 28 ARG H . 17290 1 191 . 1 1 28 28 ARG HA H 1 4.272 0.008 . 1 . . . . 28 ARG HA . 17290 1 192 . 1 1 28 28 ARG HB2 H 1 1.811 0.010 . 2 . . . . 28 ARG HB2 . 17290 1 193 . 1 1 28 28 ARG HB3 H 1 1.728 0.002 . 2 . . . . 28 ARG HB3 . 17290 1 194 . 1 1 28 28 ARG HG2 H 1 1.585 0.000 . 1 . . . . 28 ARG HG2 . 17290 1 195 . 1 1 28 28 ARG HG3 H 1 1.585 0.000 . 1 . . . . 28 ARG HG3 . 17290 1 196 . 1 1 28 28 ARG HD2 H 1 3.163 0.000 . 1 . . . . 28 ARG HD2 . 17290 1 197 . 1 1 28 28 ARG HD3 H 1 3.163 0.000 . 1 . . . . 28 ARG HD3 . 17290 1 198 . 1 1 28 28 ARG C C 13 175.979 0.006 . 1 . . . . 28 ARG C . 17290 1 199 . 1 1 28 28 ARG CA C 13 56.066 0.076 . 1 . . . . 28 ARG CA . 17290 1 200 . 1 1 28 28 ARG CB C 13 30.826 0.043 . 1 . . . . 28 ARG CB . 17290 1 201 . 1 1 28 28 ARG CG C 13 27.072 0.000 . 1 . . . . 28 ARG CG . 17290 1 202 . 1 1 28 28 ARG CD C 13 43.318 0.000 . 1 . . . . 28 ARG CD . 17290 1 203 . 1 1 28 28 ARG N N 15 122.094 0.031 . 1 . . . . 28 ARG N . 17290 1 204 . 1 1 29 29 GLN H H 1 8.430 0.005 . 1 . . . . 29 GLN H . 17290 1 205 . 1 1 29 29 GLN HA H 1 4.313 0.006 . 1 . . . . 29 GLN HA . 17290 1 206 . 1 1 29 29 GLN HB2 H 1 2.051 0.000 . 2 . . . . 29 GLN HB2 . 17290 1 207 . 1 1 29 29 GLN HB3 H 1 1.933 0.000 . 2 . . . . 29 GLN HB3 . 17290 1 208 . 1 1 29 29 GLN HG2 H 1 2.313 0.000 . 1 . . . . 29 GLN HG2 . 17290 1 209 . 1 1 29 29 GLN HG3 H 1 2.313 0.000 . 1 . . . . 29 GLN HG3 . 17290 1 210 . 1 1 29 29 GLN C C 13 175.507 0.023 . 1 . . . . 29 GLN C . 17290 1 211 . 1 1 29 29 GLN CA C 13 55.573 0.038 . 1 . . . . 29 GLN CA . 17290 1 212 . 1 1 29 29 GLN CB C 13 29.673 0.025 . 1 . . . . 29 GLN CB . 17290 1 213 . 1 1 29 29 GLN CG C 13 33.886 0.000 . 1 . . . . 29 GLN CG . 17290 1 214 . 1 1 29 29 GLN N N 15 122.129 0.018 . 1 . . . . 29 GLN N . 17290 1 215 . 1 1 30 30 GLU H H 1 8.438 0.005 . 1 . . . . 30 GLU H . 17290 1 216 . 1 1 30 30 GLU HA H 1 4.557 0.007 . 1 . . . . 30 GLU HA . 17290 1 217 . 1 1 30 30 GLU HB2 H 1 2.018 0.000 . 2 . . . . 30 GLU HB2 . 17290 1 218 . 1 1 30 30 GLU HB3 H 1 1.862 0.003 . 2 . . . . 30 GLU HB3 . 17290 1 219 . 1 1 30 30 GLU HG2 H 1 2.273 0.000 . 1 . . . . 30 GLU HG2 . 17290 1 220 . 1 1 30 30 GLU HG3 H 1 2.273 0.000 . 1 . . . . 30 GLU HG3 . 17290 1 221 . 1 1 30 30 GLU C C 13 174.480 0.000 . 1 . . . . 30 GLU C . 17290 1 222 . 1 1 30 30 GLU CA C 13 54.440 0.007 . 1 . . . . 30 GLU CA . 17290 1 223 . 1 1 30 30 GLU CB C 13 29.729 0.018 . 1 . . . . 30 GLU CB . 17290 1 224 . 1 1 30 30 GLU N N 15 124.088 0.030 . 1 . . . . 30 GLU N . 17290 1 225 . 1 1 31 31 PRO HA H 1 4.387 0.010 . 1 . . . . 31 PRO HA . 17290 1 226 . 1 1 31 31 PRO HB2 H 1 2.245 0.000 . 1 . . . . 31 PRO HB2 . 17290 1 227 . 1 1 31 31 PRO HG2 H 1 1.979 0.000 . 1 . . . . 31 PRO HG2 . 17290 1 228 . 1 1 31 31 PRO HG3 H 1 1.979 0.000 . 1 . . . . 31 PRO HG3 . 17290 1 229 . 1 1 31 31 PRO HD2 H 1 3.670 0.000 . 2 . . . . 31 PRO HD2 . 17290 1 230 . 1 1 31 31 PRO HD3 H 1 3.754 0.000 . 2 . . . . 31 PRO HD3 . 17290 1 231 . 1 1 31 31 PRO C C 13 176.643 0.008 . 1 . . . . 31 PRO C . 17290 1 232 . 1 1 31 31 PRO CA C 13 63.024 0.056 . 1 . . . . 31 PRO CA . 17290 1 233 . 1 1 31 31 PRO CB C 13 32.074 0.028 . 1 . . . . 31 PRO CB . 17290 1 234 . 1 1 31 31 PRO CG C 13 27.253 0.000 . 1 . . . . 31 PRO CG . 17290 1 235 . 1 1 31 31 PRO CD C 13 50.583 0.000 . 1 . . . . 31 PRO CD . 17290 1 236 . 1 1 32 32 LEU H H 1 8.308 0.004 . 1 . . . . 32 LEU H . 17290 1 237 . 1 1 32 32 LEU HA H 1 4.283 0.002 . 1 . . . . 32 LEU HA . 17290 1 238 . 1 1 32 32 LEU HD11 H 1 0.855 0.000 . 1 . . . . 32 LEU MD1 . 17290 1 239 . 1 1 32 32 LEU HD12 H 1 0.855 0.000 . 1 . . . . 32 LEU MD1 . 17290 1 240 . 1 1 32 32 LEU HD13 H 1 0.855 0.000 . 1 . . . . 32 LEU MD1 . 17290 1 241 . 1 1 32 32 LEU HD21 H 1 0.903 0.000 . 1 . . . . 32 LEU MD2 . 17290 1 242 . 1 1 32 32 LEU HD22 H 1 0.903 0.000 . 1 . . . . 32 LEU MD2 . 17290 1 243 . 1 1 32 32 LEU HD23 H 1 0.903 0.000 . 1 . . . . 32 LEU MD2 . 17290 1 244 . 1 1 32 32 LEU C C 13 177.281 0.003 . 1 . . . . 32 LEU C . 17290 1 245 . 1 1 32 32 LEU CA C 13 55.363 0.087 . 1 . . . . 32 LEU CA . 17290 1 246 . 1 1 32 32 LEU CB C 13 42.355 0.029 . 1 . . . . 32 LEU CB . 17290 1 247 . 1 1 32 32 LEU CD1 C 13 24.917 0.000 . 1 . . . . 32 LEU CD1 . 17290 1 248 . 1 1 32 32 LEU CD2 C 13 23.681 0.000 . 1 . . . . 32 LEU CD2 . 17290 1 249 . 1 1 32 32 LEU N N 15 122.057 0.025 . 1 . . . . 32 LEU N . 17290 1 250 . 1 1 33 33 ARG H H 1 8.299 0.005 . 1 . . . . 33 ARG H . 17290 1 251 . 1 1 33 33 ARG HA H 1 4.319 0.007 . 1 . . . . 33 ARG HA . 17290 1 252 . 1 1 33 33 ARG HB2 H 1 1.783 0.000 . 2 . . . . 33 ARG HB2 . 17290 1 253 . 1 1 33 33 ARG HB3 H 1 1.705 0.000 . 2 . . . . 33 ARG HB3 . 17290 1 254 . 1 1 33 33 ARG HG2 H 1 1.575 0.002 . 2 . . . . 33 ARG HG2 . 17290 1 255 . 1 1 33 33 ARG HG3 H 1 1.539 0.003 . 2 . . . . 33 ARG HG3 . 17290 1 256 . 1 1 33 33 ARG HD2 H 1 3.143 0.003 . 1 . . . . 33 ARG HD2 . 17290 1 257 . 1 1 33 33 ARG HD3 H 1 3.143 0.003 . 1 . . . . 33 ARG HD3 . 17290 1 258 . 1 1 33 33 ARG C C 13 175.797 0.011 . 1 . . . . 33 ARG C . 17290 1 259 . 1 1 33 33 ARG CA C 13 55.787 0.028 . 1 . . . . 33 ARG CA . 17290 1 260 . 1 1 33 33 ARG CB C 13 30.920 0.081 . 1 . . . . 33 ARG CB . 17290 1 261 . 1 1 33 33 ARG CG C 13 27.146 0.001 . 1 . . . . 33 ARG CG . 17290 1 262 . 1 1 33 33 ARG CD C 13 43.279 0.000 . 1 . . . . 33 ARG CD . 17290 1 263 . 1 1 33 33 ARG N N 15 122.074 0.024 . 1 . . . . 33 ARG N . 17290 1 264 . 1 1 34 34 GLN H H 1 8.355 0.006 . 1 . . . . 34 GLN H . 17290 1 265 . 1 1 34 34 GLN HA H 1 4.582 0.004 . 1 . . . . 34 GLN HA . 17290 1 266 . 1 1 34 34 GLN HB2 H 1 2.067 0.000 . 2 . . . . 34 GLN HB2 . 17290 1 267 . 1 1 34 34 GLN HB3 H 1 1.895 0.003 . 2 . . . . 34 GLN HB3 . 17290 1 268 . 1 1 34 34 GLN HG2 H 1 2.352 0.000 . 1 . . . . 34 GLN HG2 . 17290 1 269 . 1 1 34 34 GLN HG3 H 1 2.352 0.000 . 1 . . . . 34 GLN HG3 . 17290 1 270 . 1 1 34 34 GLN C C 13 173.902 0.000 . 1 . . . . 34 GLN C . 17290 1 271 . 1 1 34 34 GLN CA C 13 53.584 0.016 . 1 . . . . 34 GLN CA . 17290 1 272 . 1 1 34 34 GLN CB C 13 28.983 0.023 . 1 . . . . 34 GLN CB . 17290 1 273 . 1 1 34 34 GLN N N 15 122.576 0.058 . 1 . . . . 34 GLN N . 17290 1 274 . 1 1 35 35 PRO HA H 1 4.400 0.005 . 1 . . . . 35 PRO HA . 17290 1 275 . 1 1 35 35 PRO HB2 H 1 2.244 0.000 . 2 . . . . 35 PRO HB2 . 17290 1 276 . 1 1 35 35 PRO HB3 H 1 1.874 0.000 . 2 . . . . 35 PRO HB3 . 17290 1 277 . 1 1 35 35 PRO HG2 H 1 1.978 0.000 . 1 . . . . 35 PRO HG2 . 17290 1 278 . 1 1 35 35 PRO HG3 H 1 1.978 0.000 . 1 . . . . 35 PRO HG3 . 17290 1 279 . 1 1 35 35 PRO HD2 H 1 3.747 0.000 . 2 . . . . 35 PRO HD2 . 17290 1 280 . 1 1 35 35 PRO HD3 H 1 3.634 0.000 . 2 . . . . 35 PRO HD3 . 17290 1 281 . 1 1 35 35 PRO C C 13 176.546 0.005 . 1 . . . . 35 PRO C . 17290 1 282 . 1 1 35 35 PRO CA C 13 63.069 0.054 . 1 . . . . 35 PRO CA . 17290 1 283 . 1 1 35 35 PRO CB C 13 32.070 0.089 . 1 . . . . 35 PRO CB . 17290 1 284 . 1 1 35 35 PRO CG C 13 27.419 0.025 . 1 . . . . 35 PRO CG . 17290 1 285 . 1 1 35 35 PRO CD C 13 50.556 0.000 . 1 . . . . 35 PRO CD . 17290 1 286 . 1 1 36 36 SER H H 1 8.399 0.005 . 1 . . . . 36 SER H . 17290 1 287 . 1 1 36 36 SER HA H 1 4.716 0.008 . 1 . . . . 36 SER HA . 17290 1 288 . 1 1 36 36 SER HB2 H 1 3.836 0.000 . 1 . . . . 36 SER HB2 . 17290 1 289 . 1 1 36 36 SER HB3 H 1 3.836 0.000 . 1 . . . . 36 SER HB3 . 17290 1 290 . 1 1 36 36 SER C C 13 173.043 0.000 . 1 . . . . 36 SER C . 17290 1 291 . 1 1 36 36 SER CA C 13 56.415 0.013 . 1 . . . . 36 SER CA . 17290 1 292 . 1 1 36 36 SER CB C 13 63.517 0.000 . 1 . . . . 36 SER CB . 17290 1 293 . 1 1 36 36 SER N N 15 117.302 0.016 . 1 . . . . 36 SER N . 17290 1 294 . 1 1 37 37 PRO HA H 1 4.392 0.001 . 1 . . . . 37 PRO HA . 17290 1 295 . 1 1 37 37 PRO HB2 H 1 2.247 0.000 . 2 . . . . 37 PRO HB2 . 17290 1 296 . 1 1 37 37 PRO HB3 H 1 1.876 0.000 . 2 . . . . 37 PRO HB3 . 17290 1 297 . 1 1 37 37 PRO HG2 H 1 1.970 0.000 . 1 . . . . 37 PRO HG2 . 17290 1 298 . 1 1 37 37 PRO HG3 H 1 1.970 0.000 . 1 . . . . 37 PRO HG3 . 17290 1 299 . 1 1 37 37 PRO HD2 H 1 3.773 0.000 . 2 . . . . 37 PRO HD2 . 17290 1 300 . 1 1 37 37 PRO HD3 H 1 3.689 0.000 . 2 . . . . 37 PRO HD3 . 17290 1 301 . 1 1 37 37 PRO C C 13 176.912 0.017 . 1 . . . . 37 PRO C . 17290 1 302 . 1 1 37 37 PRO CA C 13 63.397 0.026 . 1 . . . . 37 PRO CA . 17290 1 303 . 1 1 37 37 PRO CB C 13 32.007 0.016 . 1 . . . . 37 PRO CB . 17290 1 304 . 1 1 37 37 PRO CG C 13 27.429 0.000 . 1 . . . . 37 PRO CG . 17290 1 305 . 1 1 37 37 PRO CD C 13 50.731 0.000 . 1 . . . . 37 PRO CD . 17290 1 306 . 1 1 38 38 GLN H H 1 8.354 0.005 . 1 . . . . 38 GLN H . 17290 1 307 . 1 1 38 38 GLN HA H 1 4.279 0.019 . 1 . . . . 38 GLN HA . 17290 1 308 . 1 1 38 38 GLN HB2 H 1 2.067 0.000 . 2 . . . . 38 GLN HB2 . 17290 1 309 . 1 1 38 38 GLN HB3 H 1 1.934 0.000 . 2 . . . . 38 GLN HB3 . 17290 1 310 . 1 1 38 38 GLN HG2 H 1 2.331 0.001 . 2 . . . . 38 GLN HG2 . 17290 1 311 . 1 1 38 38 GLN HG3 H 1 2.329 0.003 . 2 . . . . 38 GLN HG3 . 17290 1 312 . 1 1 38 38 GLN C C 13 175.944 0.015 . 1 . . . . 38 GLN C . 17290 1 313 . 1 1 38 38 GLN CA C 13 55.910 0.034 . 1 . . . . 38 GLN CA . 17290 1 314 . 1 1 38 38 GLN CB C 13 29.327 0.044 . 1 . . . . 38 GLN CB . 17290 1 315 . 1 1 38 38 GLN CG C 13 33.845 0.010 . 1 . . . . 38 GLN CG . 17290 1 316 . 1 1 38 38 GLN N N 15 120.046 0.027 . 1 . . . . 38 GLN N . 17290 1 317 . 1 1 39 39 ARG H H 1 8.346 0.005 . 1 . . . . 39 ARG H . 17290 1 318 . 1 1 39 39 ARG HA H 1 4.285 0.007 . 1 . . . . 39 ARG HA . 17290 1 319 . 1 1 39 39 ARG HB2 H 1 1.831 0.001 . 2 . . . . 39 ARG HB2 . 17290 1 320 . 1 1 39 39 ARG HB3 H 1 1.748 0.001 . 2 . . . . 39 ARG HB3 . 17290 1 321 . 1 1 39 39 ARG HG2 H 1 1.602 0.001 . 1 . . . . 39 ARG HG2 . 17290 1 322 . 1 1 39 39 ARG HG3 H 1 1.602 0.001 . 1 . . . . 39 ARG HG3 . 17290 1 323 . 1 1 39 39 ARG HD2 H 1 3.144 0.000 . 1 . . . . 39 ARG HD2 . 17290 1 324 . 1 1 39 39 ARG HD3 H 1 3.144 0.000 . 1 . . . . 39 ARG HD3 . 17290 1 325 . 1 1 39 39 ARG C C 13 176.612 0.022 . 1 . . . . 39 ARG C . 17290 1 326 . 1 1 39 39 ARG CA C 13 56.282 0.034 . 1 . . . . 39 ARG CA . 17290 1 327 . 1 1 39 39 ARG CB C 13 30.796 0.041 . 1 . . . . 39 ARG CB . 17290 1 328 . 1 1 39 39 ARG CG C 13 27.038 0.000 . 1 . . . . 39 ARG CG . 17290 1 329 . 1 1 39 39 ARG CD C 13 43.287 0.000 . 1 . . . . 39 ARG CD . 17290 1 330 . 1 1 39 39 ARG N N 15 122.265 0.027 . 1 . . . . 39 ARG N . 17290 1 331 . 1 1 40 40 GLY H H 1 8.343 0.004 . 1 . . . . 40 GLY H . 17290 1 332 . 1 1 40 40 GLY HA2 H 1 3.858 0.005 . 2 . . . . 40 GLY HA2 . 17290 1 333 . 1 1 40 40 GLY HA3 H 1 3.860 0.001 . 2 . . . . 40 GLY HA3 . 17290 1 334 . 1 1 40 40 GLY C C 13 173.571 0.008 . 1 . . . . 40 GLY C . 17290 1 335 . 1 1 40 40 GLY CA C 13 45.128 0.018 . 1 . . . . 40 GLY CA . 17290 1 336 . 1 1 40 40 GLY N N 15 110.182 0.015 . 1 . . . . 40 GLY N . 17290 1 337 . 1 1 41 41 ALA H H 1 8.111 0.003 . 1 . . . . 41 ALA H . 17290 1 338 . 1 1 41 41 ALA HA H 1 4.271 0.008 . 1 . . . . 41 ALA HA . 17290 1 339 . 1 1 41 41 ALA HB1 H 1 1.283 0.004 . 1 . . . . 41 ALA MB . 17290 1 340 . 1 1 41 41 ALA HB2 H 1 1.283 0.004 . 1 . . . . 41 ALA MB . 17290 1 341 . 1 1 41 41 ALA HB3 H 1 1.283 0.004 . 1 . . . . 41 ALA MB . 17290 1 342 . 1 1 41 41 ALA C C 13 177.139 0.011 . 1 . . . . 41 ALA C . 17290 1 343 . 1 1 41 41 ALA CA C 13 52.399 0.036 . 1 . . . . 41 ALA CA . 17290 1 344 . 1 1 41 41 ALA CB C 13 19.223 0.056 . 1 . . . . 41 ALA CB . 17290 1 345 . 1 1 41 41 ALA N N 15 123.607 0.031 . 1 . . . . 41 ALA N . 17290 1 346 . 1 1 42 42 TRP H H 1 8.119 0.004 . 1 . . . . 42 TRP H . 17290 1 347 . 1 1 42 42 TRP HA H 1 4.553 0.004 . 1 . . . . 42 TRP HA . 17290 1 348 . 1 1 42 42 TRP HB2 H 1 3.200 0.004 . 1 . . . . 42 TRP HB2 . 17290 1 349 . 1 1 42 42 TRP HB3 H 1 3.200 0.004 . 1 . . . . 42 TRP HB3 . 17290 1 350 . 1 1 42 42 TRP HD1 H 1 7.203 0.000 . 1 . . . . 42 TRP HD1 . 17290 1 351 . 1 1 42 42 TRP HE1 H 1 10.087 0.004 . 1 . . . . 42 TRP HE1 . 17290 1 352 . 1 1 42 42 TRP HZ2 H 1 7.436 0.000 . 1 . . . . 42 TRP HZ2 . 17290 1 353 . 1 1 42 42 TRP C C 13 175.080 0.017 . 1 . . . . 42 TRP C . 17290 1 354 . 1 1 42 42 TRP CA C 13 57.331 0.039 . 1 . . . . 42 TRP CA . 17290 1 355 . 1 1 42 42 TRP CB C 13 29.700 0.019 . 1 . . . . 42 TRP CB . 17290 1 356 . 1 1 42 42 TRP N N 15 120.545 0.021 . 1 . . . . 42 TRP N . 17290 1 357 . 1 1 42 42 TRP NE1 N 15 129.518 0.002 . 1 . . . . 42 TRP NE1 . 17290 1 358 . 1 1 43 43 ALA H H 1 7.721 0.007 . 1 . . . . 43 ALA H . 17290 1 359 . 1 1 43 43 ALA HA H 1 4.410 0.005 . 1 . . . . 43 ALA HA . 17290 1 360 . 1 1 43 43 ALA HB1 H 1 1.199 0.004 . 1 . . . . 43 ALA MB . 17290 1 361 . 1 1 43 43 ALA HB2 H 1 1.199 0.004 . 1 . . . . 43 ALA MB . 17290 1 362 . 1 1 43 43 ALA HB3 H 1 1.199 0.004 . 1 . . . . 43 ALA MB . 17290 1 363 . 1 1 43 43 ALA C C 13 174.643 0.000 . 1 . . . . 43 ALA C . 17290 1 364 . 1 1 43 43 ALA CA C 13 50.162 0.004 . 1 . . . . 43 ALA CA . 17290 1 365 . 1 1 43 43 ALA CB C 13 18.831 0.042 . 1 . . . . 43 ALA CB . 17290 1 366 . 1 1 43 43 ALA N N 15 127.726 0.030 . 1 . . . . 43 ALA N . 17290 1 367 . 1 1 44 44 PRO HA H 1 4.175 0.001 . 1 . . . . 44 PRO HA . 17290 1 368 . 1 1 44 44 PRO HB2 H 1 2.211 0.000 . 2 . . . . 44 PRO HB2 . 17290 1 369 . 1 1 44 44 PRO HB3 H 1 1.838 0.000 . 2 . . . . 44 PRO HB3 . 17290 1 370 . 1 1 44 44 PRO HG2 H 1 1.918 0.000 . 1 . . . . 44 PRO HG2 . 17290 1 371 . 1 1 44 44 PRO HG3 H 1 1.918 0.000 . 1 . . . . 44 PRO HG3 . 17290 1 372 . 1 1 44 44 PRO HD2 H 1 3.396 0.000 . 2 . . . . 44 PRO HD2 . 17290 1 373 . 1 1 44 44 PRO HD3 H 1 3.514 0.000 . 2 . . . . 44 PRO HD3 . 17290 1 374 . 1 1 44 44 PRO C C 13 177.188 0.019 . 1 . . . . 44 PRO C . 17290 1 375 . 1 1 44 44 PRO CA C 13 63.324 0.054 . 1 . . . . 44 PRO CA . 17290 1 376 . 1 1 44 44 PRO CB C 13 31.923 0.062 . 1 . . . . 44 PRO CB . 17290 1 377 . 1 1 44 44 PRO CG C 13 27.267 0.000 . 1 . . . . 44 PRO CG . 17290 1 378 . 1 1 44 44 PRO CD C 13 50.219 0.000 . 1 . . . . 44 PRO CD . 17290 1 379 . 1 1 45 45 GLU H H 1 8.674 0.005 . 1 . . . . 45 GLU H . 17290 1 380 . 1 1 45 45 GLU HA H 1 4.179 0.005 . 1 . . . . 45 GLU HA . 17290 1 381 . 1 1 45 45 GLU HB2 H 1 1.995 0.000 . 2 . . . . 45 GLU HB2 . 17290 1 382 . 1 1 45 45 GLU HB3 H 1 1.930 0.000 . 2 . . . . 45 GLU HB3 . 17290 1 383 . 1 1 45 45 GLU HG2 H 1 2.231 0.005 . 1 . . . . 45 GLU HG2 . 17290 1 384 . 1 1 45 45 GLU HG3 H 1 2.231 0.005 . 1 . . . . 45 GLU HG3 . 17290 1 385 . 1 1 45 45 GLU C C 13 176.657 0.017 . 1 . . . . 45 GLU C . 17290 1 386 . 1 1 45 45 GLU CA C 13 56.895 0.046 . 1 . . . . 45 GLU CA . 17290 1 387 . 1 1 45 45 GLU CB C 13 29.627 0.038 . 1 . . . . 45 GLU CB . 17290 1 388 . 1 1 45 45 GLU CG C 13 36.130 0.000 . 1 . . . . 45 GLU CG . 17290 1 389 . 1 1 45 45 GLU N N 15 119.997 0.010 . 1 . . . . 45 GLU N . 17290 1 390 . 1 1 46 46 LEU H H 1 8.137 0.004 . 1 . . . . 46 LEU H . 17290 1 391 . 1 1 46 46 LEU HA H 1 4.293 0.006 . 1 . . . . 46 LEU HA . 17290 1 392 . 1 1 46 46 LEU HB2 H 1 1.621 0.004 . 2 . . . . 46 LEU HB2 . 17290 1 393 . 1 1 46 46 LEU HB3 H 1 1.560 0.005 . 2 . . . . 46 LEU HB3 . 17290 1 394 . 1 1 46 46 LEU HG H 1 1.556 0.001 . 1 . . . . 46 LEU HG . 17290 1 395 . 1 1 46 46 LEU HD11 H 1 0.843 0.006 . 1 . . . . 46 LEU MD1 . 17290 1 396 . 1 1 46 46 LEU HD12 H 1 0.843 0.006 . 1 . . . . 46 LEU MD1 . 17290 1 397 . 1 1 46 46 LEU HD13 H 1 0.843 0.006 . 1 . . . . 46 LEU MD1 . 17290 1 398 . 1 1 46 46 LEU HD21 H 1 0.827 0.009 . 1 . . . . 46 LEU MD2 . 17290 1 399 . 1 1 46 46 LEU HD22 H 1 0.827 0.009 . 1 . . . . 46 LEU MD2 . 17290 1 400 . 1 1 46 46 LEU HD23 H 1 0.827 0.009 . 1 . . . . 46 LEU MD2 . 17290 1 401 . 1 1 46 46 LEU C C 13 177.859 0.003 . 1 . . . . 46 LEU C . 17290 1 402 . 1 1 46 46 LEU CA C 13 55.370 0.032 . 1 . . . . 46 LEU CA . 17290 1 403 . 1 1 46 46 LEU CB C 13 42.157 0.032 . 1 . . . . 46 LEU CB . 17290 1 404 . 1 1 46 46 LEU CG C 13 26.956 0.000 . 1 . . . . 46 LEU CG . 17290 1 405 . 1 1 46 46 LEU CD1 C 13 25.009 0.000 . 1 . . . . 46 LEU CD1 . 17290 1 406 . 1 1 46 46 LEU CD2 C 13 23.345 0.000 . 1 . . . . 46 LEU CD2 . 17290 1 407 . 1 1 46 46 LEU N N 15 122.559 0.048 . 1 . . . . 46 LEU N . 17290 1 408 . 1 1 47 47 GLY H H 1 8.278 0.007 . 1 . . . . 47 GLY H . 17290 1 409 . 1 1 47 47 GLY HA2 H 1 3.907 0.008 . 2 . . . . 47 GLY HA2 . 17290 1 410 . 1 1 47 47 GLY HA3 H 1 3.926 0.008 . 2 . . . . 47 GLY HA3 . 17290 1 411 . 1 1 47 47 GLY C C 13 173.478 0.032 . 1 . . . . 47 GLY C . 17290 1 412 . 1 1 47 47 GLY CA C 13 45.176 0.024 . 1 . . . . 47 GLY CA . 17290 1 413 . 1 1 47 47 GLY N N 15 109.269 0.018 . 1 . . . . 47 GLY N . 17290 1 414 . 1 1 48 48 ALA H H 1 8.032 0.005 . 1 . . . . 48 ALA H . 17290 1 415 . 1 1 48 48 ALA HA H 1 4.301 0.004 . 1 . . . . 48 ALA HA . 17290 1 416 . 1 1 48 48 ALA HB1 H 1 1.327 0.006 . 1 . . . . 48 ALA MB . 17290 1 417 . 1 1 48 48 ALA HB2 H 1 1.327 0.006 . 1 . . . . 48 ALA MB . 17290 1 418 . 1 1 48 48 ALA HB3 H 1 1.327 0.006 . 1 . . . . 48 ALA MB . 17290 1 419 . 1 1 48 48 ALA C C 13 177.049 0.026 . 1 . . . . 48 ALA C . 17290 1 420 . 1 1 48 48 ALA CA C 13 52.091 0.061 . 1 . . . . 48 ALA CA . 17290 1 421 . 1 1 48 48 ALA CB C 13 19.641 0.071 . 1 . . . . 48 ALA CB . 17290 1 422 . 1 1 48 48 ALA N N 15 123.393 0.021 . 1 . . . . 48 ALA N . 17290 1 423 . 1 1 49 49 ALA H H 1 8.314 0.004 . 1 . . . . 49 ALA H . 17290 1 424 . 1 1 49 49 ALA HA H 1 4.459 0.005 . 1 . . . . 49 ALA HA . 17290 1 425 . 1 1 49 49 ALA HB1 H 1 1.287 0.003 . 1 . . . . 49 ALA MB . 17290 1 426 . 1 1 49 49 ALA HB2 H 1 1.287 0.003 . 1 . . . . 49 ALA MB . 17290 1 427 . 1 1 49 49 ALA HB3 H 1 1.287 0.003 . 1 . . . . 49 ALA MB . 17290 1 428 . 1 1 49 49 ALA C C 13 175.581 0.000 . 1 . . . . 49 ALA C . 17290 1 429 . 1 1 49 49 ALA CA C 13 50.482 0.024 . 1 . . . . 49 ALA CA . 17290 1 430 . 1 1 49 49 ALA CB C 13 18.126 0.013 . 1 . . . . 49 ALA CB . 17290 1 431 . 1 1 49 49 ALA N N 15 124.864 0.022 . 1 . . . . 49 ALA N . 17290 1 432 . 1 1 50 50 PRO HA H 1 4.356 0.002 . 1 . . . . 50 PRO HA . 17290 1 433 . 1 1 50 50 PRO HB2 H 1 2.265 0.000 . 2 . . . . 50 PRO HB2 . 17290 1 434 . 1 1 50 50 PRO HB3 H 1 1.882 0.000 . 2 . . . . 50 PRO HB3 . 17290 1 435 . 1 1 50 50 PRO HG2 H 1 1.973 0.000 . 1 . . . . 50 PRO HG2 . 17290 1 436 . 1 1 50 50 PRO HG3 H 1 1.973 0.000 . 1 . . . . 50 PRO HG3 . 17290 1 437 . 1 1 50 50 PRO HD2 H 1 3.664 0.000 . 2 . . . . 50 PRO HD2 . 17290 1 438 . 1 1 50 50 PRO HD3 H 1 3.581 0.000 . 2 . . . . 50 PRO HD3 . 17290 1 439 . 1 1 50 50 PRO C C 13 177.377 0.016 . 1 . . . . 50 PRO C . 17290 1 440 . 1 1 50 50 PRO CA C 13 63.396 0.027 . 1 . . . . 50 PRO CA . 17290 1 441 . 1 1 50 50 PRO CB C 13 32.044 0.050 . 1 . . . . 50 PRO CB . 17290 1 442 . 1 1 50 50 PRO CG C 13 27.549 0.000 . 1 . . . . 50 PRO CG . 17290 1 443 . 1 1 50 50 PRO CD C 13 50.318 0.000 . 1 . . . . 50 PRO CD . 17290 1 444 . 1 1 51 51 GLU H H 1 8.651 0.006 . 1 . . . . 51 GLU H . 17290 1 445 . 1 1 51 51 GLU HA H 1 4.140 0.007 . 1 . . . . 51 GLU HA . 17290 1 446 . 1 1 51 51 GLU HB2 H 1 1.953 0.000 . 1 . . . . 51 GLU HB2 . 17290 1 447 . 1 1 51 51 GLU HB3 H 1 1.953 0.000 . 1 . . . . 51 GLU HB3 . 17290 1 448 . 1 1 51 51 GLU HG2 H 1 2.284 0.004 . 1 . . . . 51 GLU HG2 . 17290 1 449 . 1 1 51 51 GLU HG3 H 1 2.284 0.004 . 1 . . . . 51 GLU HG3 . 17290 1 450 . 1 1 51 51 GLU C C 13 177.202 0.018 . 1 . . . . 51 GLU C . 17290 1 451 . 1 1 51 51 GLU CA C 13 57.556 0.037 . 1 . . . . 51 GLU CA . 17290 1 452 . 1 1 51 51 GLU CB C 13 29.855 0.025 . 1 . . . . 51 GLU CB . 17290 1 453 . 1 1 51 51 GLU CG C 13 36.312 0.000 . 1 . . . . 51 GLU CG . 17290 1 454 . 1 1 51 51 GLU N N 15 120.580 0.025 . 1 . . . . 51 GLU N . 17290 1 455 . 1 1 52 52 GLU H H 1 8.435 0.005 . 1 . . . . 52 GLU H . 17290 1 456 . 1 1 52 52 GLU HA H 1 4.199 0.004 . 1 . . . . 52 GLU HA . 17290 1 457 . 1 1 52 52 GLU HB2 H 1 1.981 0.000 . 1 . . . . 52 GLU HB2 . 17290 1 458 . 1 1 52 52 GLU HB3 H 1 1.981 0.000 . 1 . . . . 52 GLU HB3 . 17290 1 459 . 1 1 52 52 GLU HG2 H 1 2.251 0.001 . 1 . . . . 52 GLU HG2 . 17290 1 460 . 1 1 52 52 GLU HG3 H 1 2.251 0.001 . 1 . . . . 52 GLU HG3 . 17290 1 461 . 1 1 52 52 GLU C C 13 177.055 0.017 . 1 . . . . 52 GLU C . 17290 1 462 . 1 1 52 52 GLU CA C 13 57.289 0.029 . 1 . . . . 52 GLU CA . 17290 1 463 . 1 1 52 52 GLU CB C 13 30.082 0.018 . 1 . . . . 52 GLU CB . 17290 1 464 . 1 1 52 52 GLU CG C 13 36.340 0.000 . 1 . . . . 52 GLU CG . 17290 1 465 . 1 1 52 52 GLU N N 15 120.989 0.019 . 1 . . . . 52 GLU N . 17290 1 466 . 1 1 53 53 GLU H H 1 8.259 0.005 . 1 . . . . 53 GLU H . 17290 1 467 . 1 1 53 53 GLU HA H 1 4.196 0.004 . 1 . . . . 53 GLU HA . 17290 1 468 . 1 1 53 53 GLU HB2 H 1 2.022 0.000 . 2 . . . . 53 GLU HB2 . 17290 1 469 . 1 1 53 53 GLU HB3 H 1 1.940 0.003 . 2 . . . . 53 GLU HB3 . 17290 1 470 . 1 1 53 53 GLU HG2 H 1 2.267 0.004 . 2 . . . . 53 GLU HG2 . 17290 1 471 . 1 1 53 53 GLU HG3 H 1 2.204 0.005 . 2 . . . . 53 GLU HG3 . 17290 1 472 . 1 1 53 53 GLU C C 13 177.035 0.010 . 1 . . . . 53 GLU C . 17290 1 473 . 1 1 53 53 GLU CA C 13 57.184 0.023 . 1 . . . . 53 GLU CA . 17290 1 474 . 1 1 53 53 GLU CB C 13 30.038 0.047 . 1 . . . . 53 GLU CB . 17290 1 475 . 1 1 53 53 GLU CG C 13 36.216 0.024 . 1 . . . . 53 GLU CG . 17290 1 476 . 1 1 53 53 GLU N N 15 121.515 0.022 . 1 . . . . 53 GLU N . 17290 1 477 . 1 1 54 54 LEU H H 1 8.086 0.004 . 1 . . . . 54 LEU H . 17290 1 478 . 1 1 54 54 LEU HA H 1 4.212 0.004 . 1 . . . . 54 LEU HA . 17290 1 479 . 1 1 54 54 LEU HB2 H 1 1.641 0.005 . 2 . . . . 54 LEU HB2 . 17290 1 480 . 1 1 54 54 LEU HB3 H 1 1.575 0.011 . 2 . . . . 54 LEU HB3 . 17290 1 481 . 1 1 54 54 LEU HG H 1 1.557 0.007 . 1 . . . . 54 LEU HG . 17290 1 482 . 1 1 54 54 LEU HD11 H 1 0.881 0.000 . 1 . . . . 54 LEU MD1 . 17290 1 483 . 1 1 54 54 LEU HD12 H 1 0.881 0.000 . 1 . . . . 54 LEU MD1 . 17290 1 484 . 1 1 54 54 LEU HD13 H 1 0.881 0.000 . 1 . . . . 54 LEU MD1 . 17290 1 485 . 1 1 54 54 LEU HD21 H 1 0.824 0.000 . 1 . . . . 54 LEU MD2 . 17290 1 486 . 1 1 54 54 LEU HD22 H 1 0.824 0.000 . 1 . . . . 54 LEU MD2 . 17290 1 487 . 1 1 54 54 LEU HD23 H 1 0.824 0.000 . 1 . . . . 54 LEU MD2 . 17290 1 488 . 1 1 54 54 LEU C C 13 177.954 0.031 . 1 . . . . 54 LEU C . 17290 1 489 . 1 1 54 54 LEU CA C 13 55.928 0.076 . 1 . . . . 54 LEU CA . 17290 1 490 . 1 1 54 54 LEU CB C 13 42.006 0.035 . 1 . . . . 54 LEU CB . 17290 1 491 . 1 1 54 54 LEU CG C 13 26.899 0.000 . 1 . . . . 54 LEU CG . 17290 1 492 . 1 1 54 54 LEU CD1 C 13 24.961 0.000 . 1 . . . . 54 LEU CD1 . 17290 1 493 . 1 1 54 54 LEU CD2 C 13 23.671 0.000 . 1 . . . . 54 LEU CD2 . 17290 1 494 . 1 1 54 54 LEU N N 15 122.096 0.022 . 1 . . . . 54 LEU N . 17290 1 495 . 1 1 55 55 ALA H H 1 8.134 0.006 . 1 . . . . 55 ALA H . 17290 1 496 . 1 1 55 55 ALA HA H 1 4.186 0.003 . 1 . . . . 55 ALA HA . 17290 1 497 . 1 1 55 55 ALA HB1 H 1 1.379 0.005 . 1 . . . . 55 ALA MB . 17290 1 498 . 1 1 55 55 ALA HB2 H 1 1.379 0.005 . 1 . . . . 55 ALA MB . 17290 1 499 . 1 1 55 55 ALA HB3 H 1 1.379 0.005 . 1 . . . . 55 ALA MB . 17290 1 500 . 1 1 55 55 ALA C C 13 178.259 0.023 . 1 . . . . 55 ALA C . 17290 1 501 . 1 1 55 55 ALA CA C 13 53.294 0.043 . 1 . . . . 55 ALA CA . 17290 1 502 . 1 1 55 55 ALA CB C 13 18.844 0.042 . 1 . . . . 55 ALA CB . 17290 1 503 . 1 1 55 55 ALA N N 15 123.496 0.054 . 1 . . . . 55 ALA N . 17290 1 504 . 1 1 56 56 ALA H H 1 7.967 0.005 . 1 . . . . 56 ALA H . 17290 1 505 . 1 1 56 56 ALA HA H 1 4.215 0.006 . 1 . . . . 56 ALA HA . 17290 1 506 . 1 1 56 56 ALA HB1 H 1 1.380 0.009 . 1 . . . . 56 ALA MB . 17290 1 507 . 1 1 56 56 ALA HB2 H 1 1.380 0.009 . 1 . . . . 56 ALA MB . 17290 1 508 . 1 1 56 56 ALA HB3 H 1 1.380 0.009 . 1 . . . . 56 ALA MB . 17290 1 509 . 1 1 56 56 ALA C C 13 178.253 0.009 . 1 . . . . 56 ALA C . 17290 1 510 . 1 1 56 56 ALA CA C 13 52.968 0.083 . 1 . . . . 56 ALA CA . 17290 1 511 . 1 1 56 56 ALA CB C 13 18.854 0.053 . 1 . . . . 56 ALA CB . 17290 1 512 . 1 1 56 56 ALA N N 15 121.442 0.016 . 1 . . . . 56 ALA N . 17290 1 513 . 1 1 57 57 LEU H H 1 7.902 0.006 . 1 . . . . 57 LEU H . 17290 1 514 . 1 1 57 57 LEU HA H 1 4.241 0.005 . 1 . . . . 57 LEU HA . 17290 1 515 . 1 1 57 57 LEU HB2 H 1 1.681 0.001 . 2 . . . . 57 LEU HB2 . 17290 1 516 . 1 1 57 57 LEU HB3 H 1 1.562 0.006 . 2 . . . . 57 LEU HB3 . 17290 1 517 . 1 1 57 57 LEU HG H 1 1.562 0.006 . 1 . . . . 57 LEU HG . 17290 1 518 . 1 1 57 57 LEU HD11 H 1 0.895 0.000 . 1 . . . . 57 LEU MD1 . 17290 1 519 . 1 1 57 57 LEU HD12 H 1 0.895 0.000 . 1 . . . . 57 LEU MD1 . 17290 1 520 . 1 1 57 57 LEU HD13 H 1 0.895 0.000 . 1 . . . . 57 LEU MD1 . 17290 1 521 . 1 1 57 57 LEU HD21 H 1 0.838 0.002 . 1 . . . . 57 LEU MD2 . 17290 1 522 . 1 1 57 57 LEU HD22 H 1 0.838 0.002 . 1 . . . . 57 LEU MD2 . 17290 1 523 . 1 1 57 57 LEU HD23 H 1 0.838 0.002 . 1 . . . . 57 LEU MD2 . 17290 1 524 . 1 1 57 57 LEU C C 13 177.511 0.007 . 1 . . . . 57 LEU C . 17290 1 525 . 1 1 57 57 LEU CA C 13 55.544 0.015 . 1 . . . . 57 LEU CA . 17290 1 526 . 1 1 57 57 LEU CB C 13 42.310 0.044 . 1 . . . . 57 LEU CB . 17290 1 527 . 1 1 57 57 LEU CG C 13 26.948 0.000 . 1 . . . . 57 LEU CG . 17290 1 528 . 1 1 57 57 LEU CD1 C 13 25.125 0.000 . 1 . . . . 57 LEU CD1 . 17290 1 529 . 1 1 57 57 LEU CD2 C 13 23.540 0.000 . 1 . . . . 57 LEU CD2 . 17290 1 530 . 1 1 57 57 LEU N N 15 119.812 0.021 . 1 . . . . 57 LEU N . 17290 1 531 . 1 1 58 58 GLN H H 1 8.109 0.005 . 1 . . . . 58 GLN H . 17290 1 532 . 1 1 58 58 GLN HA H 1 4.274 0.006 . 1 . . . . 58 GLN HA . 17290 1 533 . 1 1 58 58 GLN HB2 H 1 2.080 0.009 . 2 . . . . 58 GLN HB2 . 17290 1 534 . 1 1 58 58 GLN HB3 H 1 1.985 0.000 . 2 . . . . 58 GLN HB3 . 17290 1 535 . 1 1 58 58 GLN HG2 H 1 2.337 0.002 . 1 . . . . 58 GLN HG2 . 17290 1 536 . 1 1 58 58 GLN HG3 H 1 2.337 0.002 . 1 . . . . 58 GLN HG3 . 17290 1 537 . 1 1 58 58 GLN C C 13 175.797 0.042 . 1 . . . . 58 GLN C . 17290 1 538 . 1 1 58 58 GLN CA C 13 55.801 0.045 . 1 . . . . 58 GLN CA . 17290 1 539 . 1 1 58 58 GLN CB C 13 29.125 0.086 . 1 . . . . 58 GLN CB . 17290 1 540 . 1 1 58 58 GLN CG C 13 33.849 0.000 . 1 . . . . 58 GLN CG . 17290 1 541 . 1 1 58 58 GLN N N 15 119.842 0.033 . 1 . . . . 58 GLN N . 17290 1 542 . 1 1 59 59 LEU H H 1 8.140 0.005 . 1 . . . . 59 LEU H . 17290 1 543 . 1 1 59 59 LEU HA H 1 4.361 0.001 . 1 . . . . 59 LEU HA . 17290 1 544 . 1 1 59 59 LEU HB2 H 1 1.609 0.000 . 1 . . . . 59 LEU HB2 . 17290 1 545 . 1 1 59 59 LEU HB3 H 1 1.545 0.000 . 1 . . . . 59 LEU HB3 . 17290 1 546 . 1 1 59 59 LEU HG H 1 1.545 0.000 . 1 . . . . 59 LEU HG . 17290 1 547 . 1 1 59 59 LEU HD11 H 1 0.864 0.000 . 1 . . . . 59 LEU MD1 . 17290 1 548 . 1 1 59 59 LEU HD12 H 1 0.864 0.000 . 1 . . . . 59 LEU MD1 . 17290 1 549 . 1 1 59 59 LEU HD13 H 1 0.864 0.000 . 1 . . . . 59 LEU MD1 . 17290 1 550 . 1 1 59 59 LEU HD21 H 1 0.806 0.000 . 1 . . . . 59 LEU MD2 . 17290 1 551 . 1 1 59 59 LEU HD22 H 1 0.806 0.000 . 1 . . . . 59 LEU MD2 . 17290 1 552 . 1 1 59 59 LEU HD23 H 1 0.806 0.000 . 1 . . . . 59 LEU MD2 . 17290 1 553 . 1 1 59 59 LEU C C 13 177.555 0.008 . 1 . . . . 59 LEU C . 17290 1 554 . 1 1 59 59 LEU CA C 13 55.080 0.064 . 1 . . . . 59 LEU CA . 17290 1 555 . 1 1 59 59 LEU CB C 13 42.642 0.037 . 1 . . . . 59 LEU CB . 17290 1 556 . 1 1 59 59 LEU CG C 13 26.927 0.000 . 1 . . . . 59 LEU CG . 17290 1 557 . 1 1 59 59 LEU CD1 C 13 25.084 0.000 . 1 . . . . 59 LEU CD1 . 17290 1 558 . 1 1 59 59 LEU CD2 C 13 23.165 0.000 . 1 . . . . 59 LEU CD2 . 17290 1 559 . 1 1 59 59 LEU N N 15 122.631 0.060 . 1 . . . . 59 LEU N . 17290 1 560 . 1 1 60 60 GLY H H 1 8.155 0.005 . 1 . . . . 60 GLY H . 17290 1 561 . 1 1 60 60 GLY HA2 H 1 4.065 0.015 . 2 . . . . 60 GLY HA2 . 17290 1 562 . 1 1 60 60 GLY HA3 H 1 4.093 0.009 . 2 . . . . 60 GLY HA3 . 17290 1 563 . 1 1 60 60 GLY C C 13 171.954 0.003 . 1 . . . . 60 GLY C . 17290 1 564 . 1 1 60 60 GLY CA C 13 44.710 0.027 . 1 . . . . 60 GLY CA . 17290 1 565 . 1 1 60 60 GLY N N 15 109.162 0.024 . 1 . . . . 60 GLY N . 17290 1 566 . 1 1 61 61 PRO HA H 1 4.457 0.004 . 1 . . . . 61 PRO HA . 17290 1 567 . 1 1 61 61 PRO HB2 H 1 2.247 0.001 . 2 . . . . 61 PRO HB2 . 17290 1 568 . 1 1 61 61 PRO HB3 H 1 1.881 0.000 . 2 . . . . 61 PRO HB3 . 17290 1 569 . 1 1 61 61 PRO HG2 H 1 1.986 0.000 . 1 . . . . 61 PRO HG2 . 17290 1 570 . 1 1 61 61 PRO HG3 H 1 1.986 0.000 . 1 . . . . 61 PRO HG3 . 17290 1 571 . 1 1 61 61 PRO HD2 H 1 3.616 0.000 . 1 . . . . 61 PRO HD2 . 17290 1 572 . 1 1 61 61 PRO HD3 H 1 3.616 0.000 . 1 . . . . 61 PRO HD3 . 17290 1 573 . 1 1 61 61 PRO C C 13 177.439 0.017 . 1 . . . . 61 PRO C . 17290 1 574 . 1 1 61 61 PRO CA C 13 63.277 0.044 . 1 . . . . 61 PRO CA . 17290 1 575 . 1 1 61 61 PRO CB C 13 32.117 0.092 . 1 . . . . 61 PRO CB . 17290 1 576 . 1 1 61 61 PRO CG C 13 27.231 0.000 . 1 . . . . 61 PRO CG . 17290 1 577 . 1 1 61 61 PRO CD C 13 49.762 0.000 . 1 . . . . 61 PRO CD . 17290 1 578 . 1 1 62 62 THR H H 1 8.237 0.004 . 1 . . . . 62 THR H . 17290 1 579 . 1 1 62 62 THR HA H 1 4.245 0.005 . 1 . . . . 62 THR HA . 17290 1 580 . 1 1 62 62 THR HB H 1 4.130 0.002 . 1 . . . . 62 THR HB . 17290 1 581 . 1 1 62 62 THR HG21 H 1 1.121 0.001 . 1 . . . . 62 THR MG . 17290 1 582 . 1 1 62 62 THR HG22 H 1 1.121 0.001 . 1 . . . . 62 THR MG . 17290 1 583 . 1 1 62 62 THR HG23 H 1 1.121 0.001 . 1 . . . . 62 THR MG . 17290 1 584 . 1 1 62 62 THR C C 13 174.360 0.010 . 1 . . . . 62 THR C . 17290 1 585 . 1 1 62 62 THR CA C 13 61.942 0.053 . 1 . . . . 62 THR CA . 17290 1 586 . 1 1 62 62 THR CB C 13 69.754 0.059 . 1 . . . . 62 THR CB . 17290 1 587 . 1 1 62 62 THR CG2 C 13 21.702 0.000 . 1 . . . . 62 THR CG2 . 17290 1 588 . 1 1 62 62 THR N N 15 113.612 0.015 . 1 . . . . 62 THR N . 17290 1 589 . 1 1 63 63 HIS H H 1 8.362 0.004 . 1 . . . . 63 HIS H . 17290 1 590 . 1 1 63 63 HIS HA H 1 4.638 0.000 . 1 . . . . 63 HIS HA . 17290 1 591 . 1 1 63 63 HIS C C 13 174.367 0.039 . 1 . . . . 63 HIS C . 17290 1 592 . 1 1 63 63 HIS CA C 13 55.605 0.033 . 1 . . . . 63 HIS CA . 17290 1 593 . 1 1 63 63 HIS CB C 13 29.606 0.000 . 1 . . . . 63 HIS CB . 17290 1 594 . 1 1 63 63 HIS N N 15 120.841 0.025 . 1 . . . . 63 HIS N . 17290 1 595 . 1 1 64 64 HIS HA H 1 4.641 0.003 . 1 . . . . 64 HIS HA . 17290 1 596 . 1 1 64 64 HIS HB2 H 1 3.188 0.000 . 2 . . . . 64 HIS HB2 . 17290 1 597 . 1 1 64 64 HIS HB3 H 1 3.065 0.000 . 2 . . . . 64 HIS HB3 . 17290 1 598 . 1 1 64 64 HIS C C 13 174.459 0.038 . 1 . . . . 64 HIS C . 17290 1 599 . 1 1 64 64 HIS CA C 13 55.532 0.057 . 1 . . . . 64 HIS CA . 17290 1 600 . 1 1 64 64 HIS CB C 13 29.748 0.017 . 1 . . . . 64 HIS CB . 17290 1 601 . 1 1 65 65 GLU H H 1 8.735 0.008 . 1 . . . . 65 GLU H . 17290 1 602 . 1 1 65 65 GLU HA H 1 4.261 0.003 . 1 . . . . 65 GLU HA . 17290 1 603 . 1 1 65 65 GLU HB2 H 1 2.040 0.000 . 2 . . . . 65 GLU HB2 . 17290 1 604 . 1 1 65 65 GLU HB3 H 1 1.928 0.000 . 2 . . . . 65 GLU HB3 . 17290 1 605 . 1 1 65 65 GLU HG2 H 1 2.273 0.001 . 1 . . . . 65 GLU HG2 . 17290 1 606 . 1 1 65 65 GLU HG3 H 1 2.273 0.001 . 1 . . . . 65 GLU HG3 . 17290 1 607 . 1 1 65 65 GLU C C 13 176.340 0.020 . 1 . . . . 65 GLU C . 17290 1 608 . 1 1 65 65 GLU CA C 13 56.896 0.070 . 1 . . . . 65 GLU CA . 17290 1 609 . 1 1 65 65 GLU CB C 13 30.038 0.044 . 1 . . . . 65 GLU CB . 17290 1 610 . 1 1 65 65 GLU CG C 13 36.149 0.000 . 1 . . . . 65 GLU CG . 17290 1 611 . 1 1 65 65 GLU N N 15 122.859 0.023 . 1 . . . . 65 GLU N . 17290 1 612 . 1 1 66 66 CYS H H 1 8.487 0.005 . 1 . . . . 66 CYS H . 17290 1 613 . 1 1 66 66 CYS HA H 1 4.461 0.004 . 1 . . . . 66 CYS HA . 17290 1 614 . 1 1 66 66 CYS HB2 H 1 2.923 0.000 . 1 . . . . 66 CYS HB2 . 17290 1 615 . 1 1 66 66 CYS HB3 H 1 2.923 0.000 . 1 . . . . 66 CYS HB3 . 17290 1 616 . 1 1 66 66 CYS C C 13 174.465 0.029 . 1 . . . . 66 CYS C . 17290 1 617 . 1 1 66 66 CYS CA C 13 58.518 0.096 . 1 . . . . 66 CYS CA . 17290 1 618 . 1 1 66 66 CYS CB C 13 28.082 0.039 . 1 . . . . 66 CYS CB . 17290 1 619 . 1 1 66 66 CYS N N 15 119.744 0.018 . 1 . . . . 66 CYS N . 17290 1 620 . 1 1 67 67 GLU H H 1 8.460 0.005 . 1 . . . . 67 GLU H . 17290 1 621 . 1 1 67 67 GLU HA H 1 4.259 0.005 . 1 . . . . 67 GLU HA . 17290 1 622 . 1 1 67 67 GLU HB2 H 1 2.051 0.000 . 2 . . . . 67 GLU HB2 . 17290 1 623 . 1 1 67 67 GLU HB3 H 1 1.931 0.000 . 2 . . . . 67 GLU HB3 . 17290 1 624 . 1 1 67 67 GLU HG2 H 1 2.268 0.001 . 1 . . . . 67 GLU HG2 . 17290 1 625 . 1 1 67 67 GLU HG3 H 1 2.268 0.001 . 1 . . . . 67 GLU HG3 . 17290 1 626 . 1 1 67 67 GLU C C 13 175.956 0.015 . 1 . . . . 67 GLU C . 17290 1 627 . 1 1 67 67 GLU CA C 13 56.574 0.028 . 1 . . . . 67 GLU CA . 17290 1 628 . 1 1 67 67 GLU CB C 13 30.313 0.010 . 1 . . . . 67 GLU CB . 17290 1 629 . 1 1 67 67 GLU CG C 13 36.250 0.000 . 1 . . . . 67 GLU CG . 17290 1 630 . 1 1 67 67 GLU N N 15 123.416 0.035 . 1 . . . . 67 GLU N . 17290 1 631 . 1 1 68 68 ALA H H 1 8.342 0.005 . 1 . . . . 68 ALA H . 17290 1 632 . 1 1 68 68 ALA HA H 1 4.320 0.005 . 1 . . . . 68 ALA HA . 17290 1 633 . 1 1 68 68 ALA HB1 H 1 1.358 0.004 . 1 . . . . 68 ALA MB . 17290 1 634 . 1 1 68 68 ALA HB2 H 1 1.358 0.004 . 1 . . . . 68 ALA MB . 17290 1 635 . 1 1 68 68 ALA HB3 H 1 1.358 0.004 . 1 . . . . 68 ALA MB . 17290 1 636 . 1 1 68 68 ALA C C 13 177.419 0.020 . 1 . . . . 68 ALA C . 17290 1 637 . 1 1 68 68 ALA CA C 13 52.425 0.033 . 1 . . . . 68 ALA CA . 17290 1 638 . 1 1 68 68 ALA CB C 13 19.340 0.049 . 1 . . . . 68 ALA CB . 17290 1 639 . 1 1 68 68 ALA N N 15 125.271 0.022 . 1 . . . . 68 ALA N . 17290 1 640 . 1 1 69 69 SER H H 1 8.270 0.005 . 1 . . . . 69 SER H . 17290 1 641 . 1 1 69 69 SER HA H 1 4.705 0.008 . 1 . . . . 69 SER HA . 17290 1 642 . 1 1 69 69 SER HB2 H 1 3.860 0.000 . 2 . . . . 69 SER HB2 . 17290 1 643 . 1 1 69 69 SER HB3 H 1 3.750 0.000 . 2 . . . . 69 SER HB3 . 17290 1 644 . 1 1 69 69 SER C C 13 172.034 0.000 . 1 . . . . 69 SER C . 17290 1 645 . 1 1 69 69 SER CA C 13 56.407 0.080 . 1 . . . . 69 SER CA . 17290 1 646 . 1 1 69 69 SER CB C 13 63.174 0.000 . 1 . . . . 69 SER CB . 17290 1 647 . 1 1 69 69 SER N N 15 116.672 0.016 . 1 . . . . 69 SER N . 17290 1 648 . 1 1 71 71 PRO HA H 1 4.377 0.005 . 1 . . . . 71 PRO HA . 17290 1 649 . 1 1 71 71 PRO HB2 H 1 2.266 0.000 . 2 . . . . 71 PRO HB2 . 17290 1 650 . 1 1 71 71 PRO HB3 H 1 1.884 0.000 . 2 . . . . 71 PRO HB3 . 17290 1 651 . 1 1 71 71 PRO HG2 H 1 1.996 0.000 . 1 . . . . 71 PRO HG2 . 17290 1 652 . 1 1 71 71 PRO HG3 H 1 1.996 0.000 . 1 . . . . 71 PRO HG3 . 17290 1 653 . 1 1 71 71 PRO HD2 H 1 3.671 0.000 . 2 . . . . 71 PRO HD2 . 17290 1 654 . 1 1 71 71 PRO HD3 H 1 3.595 0.000 . 2 . . . . 71 PRO HD3 . 17290 1 655 . 1 1 71 71 PRO C C 13 176.852 0.059 . 1 . . . . 71 PRO C . 17290 1 656 . 1 1 71 71 PRO CA C 13 62.989 0.024 . 1 . . . . 71 PRO CA . 17290 1 657 . 1 1 71 71 PRO CB C 13 32.087 0.019 . 1 . . . . 71 PRO CB . 17290 1 658 . 1 1 71 71 PRO CG C 13 27.319 0.000 . 1 . . . . 71 PRO CG . 17290 1 659 . 1 1 71 71 PRO CD C 13 50.486 0.000 . 1 . . . . 71 PRO CD . 17290 1 660 . 1 1 72 72 HIS H H 1 8.525 0.009 . 1 . . . . 72 HIS H . 17290 1 661 . 1 1 72 72 HIS HA H 1 4.630 0.006 . 1 . . . . 72 HIS HA . 17290 1 662 . 1 1 72 72 HIS HB2 H 1 3.169 0.000 . 1 . . . . 72 HIS HB2 . 17290 1 663 . 1 1 72 72 HIS HB3 H 1 3.169 0.000 . 1 . . . . 72 HIS HB3 . 17290 1 664 . 1 1 72 72 HIS C C 13 174.553 0.041 . 1 . . . . 72 HIS C . 17290 1 665 . 1 1 72 72 HIS CA C 13 55.676 0.042 . 1 . . . . 72 HIS CA . 17290 1 666 . 1 1 72 72 HIS CB C 13 29.547 0.023 . 1 . . . . 72 HIS CB . 17290 1 667 . 1 1 72 72 HIS N N 15 118.799 0.029 . 1 . . . . 72 HIS N . 17290 1 668 . 1 1 73 73 ASP H H 1 8.398 0.006 . 1 . . . . 73 ASP H . 17290 1 669 . 1 1 73 73 ASP HA H 1 4.620 0.005 . 1 . . . . 73 ASP HA . 17290 1 670 . 1 1 73 73 ASP HB2 H 1 2.644 0.028 . 2 . . . . 73 ASP HB2 . 17290 1 671 . 1 1 73 73 ASP HB3 H 1 2.642 0.034 . 2 . . . . 73 ASP HB3 . 17290 1 672 . 1 1 73 73 ASP C C 13 176.452 0.011 . 1 . . . . 73 ASP C . 17290 1 673 . 1 1 73 73 ASP CA C 13 54.441 0.041 . 1 . . . . 73 ASP CA . 17290 1 674 . 1 1 73 73 ASP CB C 13 41.233 0.019 . 1 . . . . 73 ASP CB . 17290 1 675 . 1 1 73 73 ASP N N 15 121.280 0.045 . 1 . . . . 73 ASP N . 17290 1 676 . 1 1 74 74 THR H H 1 8.171 0.004 . 1 . . . . 74 THR H . 17290 1 677 . 1 1 74 74 THR HA H 1 4.232 0.004 . 1 . . . . 74 THR HA . 17290 1 678 . 1 1 74 74 THR HB H 1 4.232 0.005 . 1 . . . . 74 THR HB . 17290 1 679 . 1 1 74 74 THR HG21 H 1 1.179 0.002 . 1 . . . . 74 THR MG . 17290 1 680 . 1 1 74 74 THR HG22 H 1 1.179 0.002 . 1 . . . . 74 THR MG . 17290 1 681 . 1 1 74 74 THR HG23 H 1 1.179 0.002 . 1 . . . . 74 THR MG . 17290 1 682 . 1 1 74 74 THR C C 13 174.750 0.013 . 1 . . . . 74 THR C . 17290 1 683 . 1 1 74 74 THR CA C 13 62.372 0.069 . 1 . . . . 74 THR CA . 17290 1 684 . 1 1 74 74 THR CB C 13 69.605 0.049 . 1 . . . . 74 THR CB . 17290 1 685 . 1 1 74 74 THR CG2 C 13 21.775 0.000 . 1 . . . . 74 THR CG2 . 17290 1 686 . 1 1 74 74 THR N N 15 114.611 0.036 . 1 . . . . 74 THR N . 17290 1 687 . 1 1 75 75 LEU H H 1 8.210 0.004 . 1 . . . . 75 LEU H . 17290 1 688 . 1 1 75 75 LEU HA H 1 4.292 0.007 . 1 . . . . 75 LEU HA . 17290 1 689 . 1 1 75 75 LEU HB2 H 1 1.648 0.005 . 2 . . . . 75 LEU HB2 . 17290 1 690 . 1 1 75 75 LEU HB3 H 1 1.554 0.011 . 2 . . . . 75 LEU HB3 . 17290 1 691 . 1 1 75 75 LEU HG H 1 1.561 0.004 . 1 . . . . 75 LEU HG . 17290 1 692 . 1 1 75 75 LEU HD11 H 1 0.892 0.000 . 1 . . . . 75 LEU MD1 . 17290 1 693 . 1 1 75 75 LEU HD12 H 1 0.892 0.000 . 1 . . . . 75 LEU MD1 . 17290 1 694 . 1 1 75 75 LEU HD13 H 1 0.892 0.000 . 1 . . . . 75 LEU MD1 . 17290 1 695 . 1 1 75 75 LEU HD21 H 1 0.835 0.000 . 1 . . . . 75 LEU MD2 . 17290 1 696 . 1 1 75 75 LEU HD22 H 1 0.835 0.000 . 1 . . . . 75 LEU MD2 . 17290 1 697 . 1 1 75 75 LEU HD23 H 1 0.835 0.000 . 1 . . . . 75 LEU MD2 . 17290 1 698 . 1 1 75 75 LEU C C 13 177.235 0.040 . 1 . . . . 75 LEU C . 17290 1 699 . 1 1 75 75 LEU CA C 13 55.398 0.107 . 1 . . . . 75 LEU CA . 17290 1 700 . 1 1 75 75 LEU CB C 13 42.204 0.091 . 1 . . . . 75 LEU CB . 17290 1 701 . 1 1 75 75 LEU CG C 13 26.976 0.000 . 1 . . . . 75 LEU CG . 17290 1 702 . 1 1 75 75 LEU CD1 C 13 24.803 0.000 . 1 . . . . 75 LEU CD1 . 17290 1 703 . 1 1 75 75 LEU CD2 C 13 23.601 0.000 . 1 . . . . 75 LEU CD2 . 17290 1 704 . 1 1 75 75 LEU N N 15 124.289 0.046 . 1 . . . . 75 LEU N . 17290 1 705 . 1 1 76 76 ARG H H 1 8.210 0.004 . 1 . . . . 76 ARG H . 17290 1 706 . 1 1 76 76 ARG HA H 1 4.306 0.005 . 1 . . . . 76 ARG HA . 17290 1 707 . 1 1 76 76 ARG HB2 H 1 1.810 0.000 . 2 . . . . 76 ARG HB2 . 17290 1 708 . 1 1 76 76 ARG HB3 H 1 1.735 0.000 . 2 . . . . 76 ARG HB3 . 17290 1 709 . 1 1 76 76 ARG HG2 H 1 1.560 0.000 . 1 . . . . 76 ARG HG2 . 17290 1 710 . 1 1 76 76 ARG HG3 H 1 1.560 0.000 . 1 . . . . 76 ARG HG3 . 17290 1 711 . 1 1 76 76 ARG HD2 H 1 3.160 0.000 . 1 . . . . 76 ARG HD2 . 17290 1 712 . 1 1 76 76 ARG HD3 H 1 3.160 0.000 . 1 . . . . 76 ARG HD3 . 17290 1 713 . 1 1 76 76 ARG C C 13 176.134 0.025 . 1 . . . . 76 ARG C . 17290 1 714 . 1 1 76 76 ARG CA C 13 55.966 0.074 . 1 . . . . 76 ARG CA . 17290 1 715 . 1 1 76 76 ARG CB C 13 30.547 0.063 . 1 . . . . 76 ARG CB . 17290 1 716 . 1 1 76 76 ARG CG C 13 27.093 0.000 . 1 . . . . 76 ARG CG . 17290 1 717 . 1 1 76 76 ARG CD C 13 43.293 0.000 . 1 . . . . 76 ARG CD . 17290 1 718 . 1 1 76 76 ARG N N 15 121.727 0.074 . 1 . . . . 76 ARG N . 17290 1 719 . 1 1 77 77 LEU H H 1 8.248 0.004 . 1 . . . . 77 LEU H . 17290 1 720 . 1 1 77 77 LEU HA H 1 4.365 0.003 . 1 . . . . 77 LEU HA . 17290 1 721 . 1 1 77 77 LEU HB2 H 1 1.661 0.008 . 2 . . . . 77 LEU HB2 . 17290 1 722 . 1 1 77 77 LEU HB3 H 1 1.571 0.002 . 2 . . . . 77 LEU HB3 . 17290 1 723 . 1 1 77 77 LEU HG H 1 1.567 0.006 . 1 . . . . 77 LEU HG . 17290 1 724 . 1 1 77 77 LEU HD11 H 1 0.903 0.000 . 1 . . . . 77 LEU MD1 . 17290 1 725 . 1 1 77 77 LEU HD12 H 1 0.903 0.000 . 1 . . . . 77 LEU MD1 . 17290 1 726 . 1 1 77 77 LEU HD13 H 1 0.903 0.000 . 1 . . . . 77 LEU MD1 . 17290 1 727 . 1 1 77 77 LEU HD21 H 1 0.842 0.000 . 1 . . . . 77 LEU MD2 . 17290 1 728 . 1 1 77 77 LEU HD22 H 1 0.842 0.000 . 1 . . . . 77 LEU MD2 . 17290 1 729 . 1 1 77 77 LEU HD23 H 1 0.842 0.000 . 1 . . . . 77 LEU MD2 . 17290 1 730 . 1 1 77 77 LEU C C 13 177.513 0.007 . 1 . . . . 77 LEU C . 17290 1 731 . 1 1 77 77 LEU CA C 13 55.354 0.055 . 1 . . . . 77 LEU CA . 17290 1 732 . 1 1 77 77 LEU CB C 13 42.302 0.053 . 1 . . . . 77 LEU CB . 17290 1 733 . 1 1 77 77 LEU CG C 13 26.941 0.000 . 1 . . . . 77 LEU CG . 17290 1 734 . 1 1 77 77 LEU CD1 C 13 25.030 0.000 . 1 . . . . 77 LEU CD1 . 17290 1 735 . 1 1 77 77 LEU CD2 C 13 23.474 0.000 . 1 . . . . 77 LEU CD2 . 17290 1 736 . 1 1 77 77 LEU N N 15 123.175 0.040 . 1 . . . . 77 LEU N . 17290 1 737 . 1 1 78 78 THR H H 1 7.998 0.005 . 1 . . . . 78 THR H . 17290 1 738 . 1 1 78 78 THR HA H 1 4.255 0.004 . 1 . . . . 78 THR HA . 17290 1 739 . 1 1 78 78 THR HB H 1 4.170 0.009 . 1 . . . . 78 THR HB . 17290 1 740 . 1 1 78 78 THR HG21 H 1 1.170 0.007 . 1 . . . . 78 THR MG . 17290 1 741 . 1 1 78 78 THR HG22 H 1 1.170 0.007 . 1 . . . . 78 THR MG . 17290 1 742 . 1 1 78 78 THR HG23 H 1 1.170 0.007 . 1 . . . . 78 THR MG . 17290 1 743 . 1 1 78 78 THR C C 13 173.886 0.025 . 1 . . . . 78 THR C . 17290 1 744 . 1 1 78 78 THR CA C 13 61.716 0.052 . 1 . . . . 78 THR CA . 17290 1 745 . 1 1 78 78 THR CB C 13 69.835 0.069 . 1 . . . . 78 THR CB . 17290 1 746 . 1 1 78 78 THR CG2 C 13 21.643 0.000 . 1 . . . . 78 THR CG2 . 17290 1 747 . 1 1 78 78 THR N N 15 113.979 0.034 . 1 . . . . 78 THR N . 17290 1 748 . 1 1 79 79 ALA H H 1 8.162 0.005 . 1 . . . . 79 ALA H . 17290 1 749 . 1 1 79 79 ALA HA H 1 4.327 0.003 . 1 . . . . 79 ALA HA . 17290 1 750 . 1 1 79 79 ALA HB1 H 1 1.333 0.005 . 1 . . . . 79 ALA MB . 17290 1 751 . 1 1 79 79 ALA HB2 H 1 1.333 0.005 . 1 . . . . 79 ALA MB . 17290 1 752 . 1 1 79 79 ALA HB3 H 1 1.333 0.005 . 1 . . . . 79 ALA MB . 17290 1 753 . 1 1 79 79 ALA C C 13 177.149 0.020 . 1 . . . . 79 ALA C . 17290 1 754 . 1 1 79 79 ALA CA C 13 52.156 0.033 . 1 . . . . 79 ALA CA . 17290 1 755 . 1 1 79 79 ALA CB C 13 19.454 0.060 . 1 . . . . 79 ALA CB . 17290 1 756 . 1 1 79 79 ALA N N 15 126.133 0.022 . 1 . . . . 79 ALA N . 17290 1 757 . 1 1 80 80 LEU H H 1 8.167 0.005 . 1 . . . . 80 LEU H . 17290 1 758 . 1 1 80 80 LEU HA H 1 4.548 0.020 . 1 . . . . 80 LEU HA . 17290 1 759 . 1 1 80 80 LEU HB2 H 1 1.670 0.000 . 2 . . . . 80 LEU HB2 . 17290 1 760 . 1 1 80 80 LEU HB3 H 1 1.564 0.000 . 2 . . . . 80 LEU HB3 . 17290 1 761 . 1 1 80 80 LEU HD11 H 1 0.872 0.000 . 1 . . . . 80 LEU MD1 . 17290 1 762 . 1 1 80 80 LEU HD12 H 1 0.872 0.000 . 1 . . . . 80 LEU MD1 . 17290 1 763 . 1 1 80 80 LEU HD13 H 1 0.872 0.000 . 1 . . . . 80 LEU MD1 . 17290 1 764 . 1 1 80 80 LEU HD21 H 1 0.890 0.000 . 1 . . . . 80 LEU MD2 . 17290 1 765 . 1 1 80 80 LEU HD22 H 1 0.890 0.000 . 1 . . . . 80 LEU MD2 . 17290 1 766 . 1 1 80 80 LEU HD23 H 1 0.890 0.000 . 1 . . . . 80 LEU MD2 . 17290 1 767 . 1 1 80 80 LEU C C 13 175.358 0.001 . 1 . . . . 80 LEU C . 17290 1 768 . 1 1 80 80 LEU CA C 13 53.023 0.011 . 1 . . . . 80 LEU CA . 17290 1 769 . 1 1 80 80 LEU CB C 13 41.704 0.000 . 1 . . . . 80 LEU CB . 17290 1 770 . 1 1 80 80 LEU CD2 C 13 23.329 0.000 . 1 . . . . 80 LEU CD2 . 17290 1 771 . 1 1 80 80 LEU N N 15 122.972 0.036 . 1 . . . . 80 LEU N . 17290 1 772 . 1 1 81 81 PRO HA H 1 4.294 0.002 . 1 . . . . 81 PRO HA . 17290 1 773 . 1 1 81 81 PRO HB2 H 1 2.132 0.002 . 2 . . . . 81 PRO HB2 . 17290 1 774 . 1 1 81 81 PRO HB3 H 1 1.588 0.004 . 2 . . . . 81 PRO HB3 . 17290 1 775 . 1 1 81 81 PRO HG2 H 1 1.941 0.000 . 1 . . . . 81 PRO HG2 . 17290 1 776 . 1 1 81 81 PRO HG3 H 1 1.941 0.000 . 1 . . . . 81 PRO HG3 . 17290 1 777 . 1 1 81 81 PRO HD2 H 1 3.792 0.000 . 2 . . . . 81 PRO HD2 . 17290 1 778 . 1 1 81 81 PRO HD3 H 1 3.578 0.000 . 2 . . . . 81 PRO HD3 . 17290 1 779 . 1 1 81 81 PRO C C 13 176.149 0.011 . 1 . . . . 81 PRO C . 17290 1 780 . 1 1 81 81 PRO CA C 13 63.061 0.053 . 1 . . . . 81 PRO CA . 17290 1 781 . 1 1 81 81 PRO CB C 13 32.002 0.041 . 1 . . . . 81 PRO CB . 17290 1 782 . 1 1 81 81 PRO CG C 13 27.490 0.000 . 1 . . . . 81 PRO CG . 17290 1 783 . 1 1 81 81 PRO CD C 13 50.450 0.000 . 1 . . . . 81 PRO CD . 17290 1 784 . 1 1 82 82 ASP H H 1 8.243 0.005 . 1 . . . . 82 ASP H . 17290 1 785 . 1 1 82 82 ASP HA H 1 4.509 0.001 . 1 . . . . 82 ASP HA . 17290 1 786 . 1 1 82 82 ASP HB2 H 1 2.667 0.000 . 2 . . . . 82 ASP HB2 . 17290 1 787 . 1 1 82 82 ASP HB3 H 1 2.556 0.000 . 2 . . . . 82 ASP HB3 . 17290 1 788 . 1 1 82 82 ASP C C 13 176.711 0.014 . 1 . . . . 82 ASP C . 17290 1 789 . 1 1 82 82 ASP CA C 13 54.024 0.034 . 1 . . . . 82 ASP CA . 17290 1 790 . 1 1 82 82 ASP CB C 13 40.977 0.034 . 1 . . . . 82 ASP CB . 17290 1 791 . 1 1 82 82 ASP N N 15 119.675 0.031 . 1 . . . . 82 ASP N . 17290 1 792 . 1 1 83 83 TYR H H 1 8.188 0.004 . 1 . . . . 83 TYR H . 17290 1 793 . 1 1 83 83 TYR HA H 1 4.553 0.005 . 1 . . . . 83 TYR HA . 17290 1 794 . 1 1 83 83 TYR HB2 H 1 3.126 0.004 . 2 . . . . 83 TYR HB2 . 17290 1 795 . 1 1 83 83 TYR HB3 H 1 2.978 0.002 . 2 . . . . 83 TYR HB3 . 17290 1 796 . 1 1 83 83 TYR C C 13 176.469 0.016 . 1 . . . . 83 TYR C . 17290 1 797 . 1 1 83 83 TYR CA C 13 58.579 0.024 . 1 . . . . 83 TYR CA . 17290 1 798 . 1 1 83 83 TYR CB C 13 38.178 0.040 . 1 . . . . 83 TYR CB . 17290 1 799 . 1 1 83 83 TYR N N 15 121.747 0.031 . 1 . . . . 83 TYR N . 17290 1 800 . 1 1 84 84 THR H H 1 8.152 0.005 . 1 . . . . 84 THR H . 17290 1 801 . 1 1 84 84 THR HA H 1 4.139 0.004 . 1 . . . . 84 THR HA . 17290 1 802 . 1 1 84 84 THR HB H 1 4.137 0.001 . 1 . . . . 84 THR HB . 17290 1 803 . 1 1 84 84 THR HG21 H 1 1.148 0.000 . 1 . . . . 84 THR MG . 17290 1 804 . 1 1 84 84 THR HG22 H 1 1.148 0.000 . 1 . . . . 84 THR MG . 17290 1 805 . 1 1 84 84 THR HG23 H 1 1.148 0.000 . 1 . . . . 84 THR MG . 17290 1 806 . 1 1 84 84 THR C C 13 174.997 0.019 . 1 . . . . 84 THR C . 17290 1 807 . 1 1 84 84 THR CA C 13 63.204 0.070 . 1 . . . . 84 THR CA . 17290 1 808 . 1 1 84 84 THR CB C 13 69.506 0.066 . 1 . . . . 84 THR CB . 17290 1 809 . 1 1 84 84 THR CG2 C 13 21.723 0.000 . 1 . . . . 84 THR CG2 . 17290 1 810 . 1 1 84 84 THR N N 15 114.717 0.041 . 1 . . . . 84 THR N . 17290 1 811 . 1 1 85 85 LEU H H 1 7.909 0.005 . 1 . . . . 85 LEU H . 17290 1 812 . 1 1 85 85 LEU HA H 1 4.315 0.005 . 1 . . . . 85 LEU HA . 17290 1 813 . 1 1 85 85 LEU HB2 H 1 1.677 0.006 . 2 . . . . 85 LEU HB2 . 17290 1 814 . 1 1 85 85 LEU HB3 H 1 1.605 0.011 . 2 . . . . 85 LEU HB3 . 17290 1 815 . 1 1 85 85 LEU HG H 1 1.609 0.015 . 1 . . . . 85 LEU HG . 17290 1 816 . 1 1 85 85 LEU HD11 H 1 0.917 0.000 . 1 . . . . 85 LEU MD1 . 17290 1 817 . 1 1 85 85 LEU HD12 H 1 0.917 0.000 . 1 . . . . 85 LEU MD1 . 17290 1 818 . 1 1 85 85 LEU HD13 H 1 0.917 0.000 . 1 . . . . 85 LEU MD1 . 17290 1 819 . 1 1 85 85 LEU HD21 H 1 0.848 0.000 . 1 . . . . 85 LEU MD2 . 17290 1 820 . 1 1 85 85 LEU HD22 H 1 0.848 0.000 . 1 . . . . 85 LEU MD2 . 17290 1 821 . 1 1 85 85 LEU HD23 H 1 0.848 0.000 . 1 . . . . 85 LEU MD2 . 17290 1 822 . 1 1 85 85 LEU C C 13 177.658 0.010 . 1 . . . . 85 LEU C . 17290 1 823 . 1 1 85 85 LEU CA C 13 55.765 0.023 . 1 . . . . 85 LEU CA . 17290 1 824 . 1 1 85 85 LEU CB C 13 42.214 0.007 . 1 . . . . 85 LEU CB . 17290 1 825 . 1 1 85 85 LEU CG C 13 26.878 0.000 . 1 . . . . 85 LEU CG . 17290 1 826 . 1 1 85 85 LEU CD1 C 13 25.028 0.000 . 1 . . . . 85 LEU CD1 . 17290 1 827 . 1 1 85 85 LEU CD2 C 13 23.569 0.000 . 1 . . . . 85 LEU CD2 . 17290 1 828 . 1 1 85 85 LEU N N 15 122.995 0.021 . 1 . . . . 85 LEU N . 17290 1 829 . 1 1 86 86 THR H H 1 7.937 0.006 . 1 . . . . 86 THR H . 17290 1 830 . 1 1 86 86 THR HA H 1 4.258 0.002 . 1 . . . . 86 THR HA . 17290 1 831 . 1 1 86 86 THR HB H 1 4.179 0.001 . 1 . . . . 86 THR HB . 17290 1 832 . 1 1 86 86 THR HG21 H 1 1.187 0.008 . 1 . . . . 86 THR MG . 17290 1 833 . 1 1 86 86 THR HG22 H 1 1.187 0.008 . 1 . . . . 86 THR MG . 17290 1 834 . 1 1 86 86 THR HG23 H 1 1.187 0.008 . 1 . . . . 86 THR MG . 17290 1 835 . 1 1 86 86 THR C C 13 174.393 0.034 . 1 . . . . 86 THR C . 17290 1 836 . 1 1 86 86 THR CA C 13 62.226 0.073 . 1 . . . . 86 THR CA . 17290 1 837 . 1 1 86 86 THR CB C 13 69.697 0.056 . 1 . . . . 86 THR CB . 17290 1 838 . 1 1 86 86 THR CG2 C 13 21.712 0.000 . 1 . . . . 86 THR CG2 . 17290 1 839 . 1 1 86 86 THR N N 15 113.902 0.055 . 1 . . . . 86 THR N . 17290 1 840 . 1 1 87 87 LEU H H 1 7.992 0.004 . 1 . . . . 87 LEU H . 17290 1 841 . 1 1 87 87 LEU HA H 1 4.310 0.005 . 1 . . . . 87 LEU HA . 17290 1 842 . 1 1 87 87 LEU HB2 H 1 1.601 0.000 . 2 . . . . 87 LEU HB2 . 17290 1 843 . 1 1 87 87 LEU HB3 H 1 1.597 0.000 . 2 . . . . 87 LEU HB3 . 17290 1 844 . 1 1 87 87 LEU HG H 1 1.595 0.000 . 1 . . . . 87 LEU HG . 17290 1 845 . 1 1 87 87 LEU C C 13 176.978 0.023 . 1 . . . . 87 LEU C . 17290 1 846 . 1 1 87 87 LEU CA C 13 55.323 0.054 . 1 . . . . 87 LEU CA . 17290 1 847 . 1 1 87 87 LEU CB C 13 42.326 0.072 . 1 . . . . 87 LEU CB . 17290 1 848 . 1 1 87 87 LEU CG C 13 26.962 0.000 . 1 . . . . 87 LEU CG . 17290 1 849 . 1 1 87 87 LEU CD1 C 13 24.912 0.000 . 1 . . . . 87 LEU CD1 . 17290 1 850 . 1 1 87 87 LEU CD2 C 13 23.624 0.000 . 1 . . . . 87 LEU CD2 . 17290 1 851 . 1 1 87 87 LEU N N 15 124.013 0.022 . 1 . . . . 87 LEU N . 17290 1 852 . 1 1 88 88 ARG H H 1 8.221 0.005 . 1 . . . . 88 ARG H . 17290 1 853 . 1 1 88 88 ARG HA H 1 4.308 0.008 . 1 . . . . 88 ARG HA . 17290 1 854 . 1 1 88 88 ARG HB2 H 1 1.812 0.004 . 2 . . . . 88 ARG HB2 . 17290 1 855 . 1 1 88 88 ARG HB3 H 1 1.728 0.005 . 2 . . . . 88 ARG HB3 . 17290 1 856 . 1 1 88 88 ARG HG2 H 1 1.581 0.012 . 2 . . . . 88 ARG HG2 . 17290 1 857 . 1 1 88 88 ARG HG3 H 1 1.574 0.003 . 2 . . . . 88 ARG HG3 . 17290 1 858 . 1 1 88 88 ARG HD2 H 1 3.155 0.001 . 2 . . . . 88 ARG HD2 . 17290 1 859 . 1 1 88 88 ARG HD3 H 1 3.156 0.000 . 2 . . . . 88 ARG HD3 . 17290 1 860 . 1 1 88 88 ARG C C 13 175.884 0.051 . 1 . . . . 88 ARG C . 17290 1 861 . 1 1 88 88 ARG CA C 13 55.908 0.020 . 1 . . . . 88 ARG CA . 17290 1 862 . 1 1 88 88 ARG CB C 13 30.781 0.087 . 1 . . . . 88 ARG CB . 17290 1 863 . 1 1 88 88 ARG CG C 13 27.052 0.000 . 1 . . . . 88 ARG CG . 17290 1 864 . 1 1 88 88 ARG CD C 13 43.387 0.026 . 1 . . . . 88 ARG CD . 17290 1 865 . 1 1 88 88 ARG N N 15 121.861 0.051 . 1 . . . . 88 ARG N . 17290 1 866 . 1 1 89 89 ARG H H 1 8.390 0.004 . 1 . . . . 89 ARG H . 17290 1 867 . 1 1 89 89 ARG HA H 1 4.367 0.008 . 1 . . . . 89 ARG HA . 17290 1 868 . 1 1 89 89 ARG HB2 H 1 1.842 0.001 . 2 . . . . 89 ARG HB2 . 17290 1 869 . 1 1 89 89 ARG HB3 H 1 1.726 0.000 . 2 . . . . 89 ARG HB3 . 17290 1 870 . 1 1 89 89 ARG HG2 H 1 1.608 0.001 . 2 . . . . 89 ARG HG2 . 17290 1 871 . 1 1 89 89 ARG HG3 H 1 1.610 0.002 . 2 . . . . 89 ARG HG3 . 17290 1 872 . 1 1 89 89 ARG HD2 H 1 3.158 0.000 . 1 . . . . 89 ARG HD2 . 17290 1 873 . 1 1 89 89 ARG HD3 H 1 3.158 0.000 . 1 . . . . 89 ARG HD3 . 17290 1 874 . 1 1 89 89 ARG C C 13 175.983 0.017 . 1 . . . . 89 ARG C . 17290 1 875 . 1 1 89 89 ARG CA C 13 55.817 0.053 . 1 . . . . 89 ARG CA . 17290 1 876 . 1 1 89 89 ARG CB C 13 31.239 0.074 . 1 . . . . 89 ARG CB . 17290 1 877 . 1 1 89 89 ARG CG C 13 27.171 0.023 . 1 . . . . 89 ARG CG . 17290 1 878 . 1 1 89 89 ARG CD C 13 43.305 0.000 . 1 . . . . 89 ARG CD . 17290 1 879 . 1 1 89 89 ARG N N 15 122.862 0.031 . 1 . . . . 89 ARG N . 17290 1 880 . 1 1 90 90 SER H H 1 8.540 0.005 . 1 . . . . 90 SER H . 17290 1 881 . 1 1 90 90 SER HA H 1 4.747 0.000 . 1 . . . . 90 SER HA . 17290 1 882 . 1 1 90 90 SER HB2 H 1 3.885 0.000 . 2 . . . . 90 SER HB2 . 17290 1 883 . 1 1 90 90 SER HB3 H 1 3.897 0.000 . 2 . . . . 90 SER HB3 . 17290 1 884 . 1 1 90 90 SER C C 13 173.455 0.000 . 1 . . . . 90 SER C . 17290 1 885 . 1 1 90 90 SER CA C 13 56.400 0.026 . 1 . . . . 90 SER CA . 17290 1 886 . 1 1 90 90 SER CB C 13 63.492 0.000 . 1 . . . . 90 SER CB . 17290 1 887 . 1 1 90 90 SER N N 15 118.962 0.033 . 1 . . . . 90 SER N . 17290 1 888 . 1 1 91 91 PRO HA H 1 4.381 0.001 . 1 . . . . 91 PRO HA . 17290 1 889 . 1 1 91 91 PRO HB2 H 1 2.296 0.000 . 2 . . . . 91 PRO HB2 . 17290 1 890 . 1 1 91 91 PRO HB3 H 1 1.990 0.000 . 2 . . . . 91 PRO HB3 . 17290 1 891 . 1 1 91 91 PRO HG2 H 1 1.990 0.000 . 1 . . . . 91 PRO HG2 . 17290 1 892 . 1 1 91 91 PRO HG3 H 1 1.990 0.000 . 1 . . . . 91 PRO HG3 . 17290 1 893 . 1 1 91 91 PRO HD2 H 1 3.797 0.000 . 2 . . . . 91 PRO HD2 . 17290 1 894 . 1 1 91 91 PRO HD3 H 1 3.758 0.000 . 2 . . . . 91 PRO HD3 . 17290 1 895 . 1 1 91 91 PRO C C 13 176.682 0.014 . 1 . . . . 91 PRO C . 17290 1 896 . 1 1 91 91 PRO CA C 13 63.962 0.043 . 1 . . . . 91 PRO CA . 17290 1 897 . 1 1 91 91 PRO CB C 13 31.968 0.035 . 1 . . . . 91 PRO CB . 17290 1 898 . 1 1 91 91 PRO CG C 13 27.519 0.000 . 1 . . . . 91 PRO CG . 17290 1 899 . 1 1 91 91 PRO CD C 13 50.775 0.000 . 1 . . . . 91 PRO CD . 17290 1 900 . 1 1 92 92 ASP H H 1 8.127 0.005 . 1 . . . . 92 ASP H . 17290 1 901 . 1 1 92 92 ASP HA H 1 4.546 0.006 . 1 . . . . 92 ASP HA . 17290 1 902 . 1 1 92 92 ASP HB2 H 1 2.677 0.004 . 2 . . . . 92 ASP HB2 . 17290 1 903 . 1 1 92 92 ASP HB3 H 1 2.523 0.004 . 2 . . . . 92 ASP HB3 . 17290 1 904 . 1 1 92 92 ASP C C 13 175.815 0.015 . 1 . . . . 92 ASP C . 17290 1 905 . 1 1 92 92 ASP CA C 13 54.393 0.015 . 1 . . . . 92 ASP CA . 17290 1 906 . 1 1 92 92 ASP CB C 13 41.025 0.024 . 1 . . . . 92 ASP CB . 17290 1 907 . 1 1 92 92 ASP N N 15 117.881 0.016 . 1 . . . . 92 ASP N . 17290 1 908 . 1 1 93 93 ASP H H 1 7.988 0.004 . 1 . . . . 93 ASP H . 17290 1 909 . 1 1 93 93 ASP HA H 1 4.560 0.005 . 1 . . . . 93 ASP HA . 17290 1 910 . 1 1 93 93 ASP HB2 H 1 2.685 0.012 . 2 . . . . 93 ASP HB2 . 17290 1 911 . 1 1 93 93 ASP HB3 H 1 2.604 0.003 . 2 . . . . 93 ASP HB3 . 17290 1 912 . 1 1 93 93 ASP C C 13 175.723 0.032 . 1 . . . . 93 ASP C . 17290 1 913 . 1 1 93 93 ASP CA C 13 54.348 0.033 . 1 . . . . 93 ASP CA . 17290 1 914 . 1 1 93 93 ASP CB C 13 41.184 0.038 . 1 . . . . 93 ASP CB . 17290 1 915 . 1 1 93 93 ASP N N 15 120.103 0.022 . 1 . . . . 93 ASP N . 17290 1 916 . 1 1 94 94 ILE H H 1 7.934 0.004 . 1 . . . . 94 ILE H . 17290 1 917 . 1 1 94 94 ILE HA H 1 4.380 0.008 . 1 . . . . 94 ILE HA . 17290 1 918 . 1 1 94 94 ILE HB H 1 1.843 0.013 . 1 . . . . 94 ILE HB . 17290 1 919 . 1 1 94 94 ILE HG13 H 1 1.140 0.001 . 1 . . . . 94 ILE HG13 . 17290 1 920 . 1 1 94 94 ILE HG21 H 1 0.923 0.005 . 1 . . . . 94 ILE MG . 17290 1 921 . 1 1 94 94 ILE HG22 H 1 0.923 0.005 . 1 . . . . 94 ILE MG . 17290 1 922 . 1 1 94 94 ILE HG23 H 1 0.923 0.005 . 1 . . . . 94 ILE MG . 17290 1 923 . 1 1 94 94 ILE HD11 H 1 0.833 0.000 . 1 . . . . 94 ILE MD . 17290 1 924 . 1 1 94 94 ILE HD12 H 1 0.833 0.000 . 1 . . . . 94 ILE MD . 17290 1 925 . 1 1 94 94 ILE HD13 H 1 0.833 0.000 . 1 . . . . 94 ILE MD . 17290 1 926 . 1 1 94 94 ILE C C 13 174.639 0.000 . 1 . . . . 94 ILE C . 17290 1 927 . 1 1 94 94 ILE CA C 13 58.839 0.068 . 1 . . . . 94 ILE CA . 17290 1 928 . 1 1 94 94 ILE CB C 13 38.555 0.034 . 1 . . . . 94 ILE CB . 17290 1 929 . 1 1 94 94 ILE CG1 C 13 27.057 0.000 . 1 . . . . 94 ILE CG1 . 17290 1 930 . 1 1 94 94 ILE CG2 C 13 17.267 0.000 . 1 . . . . 94 ILE CG2 . 17290 1 931 . 1 1 94 94 ILE CD1 C 13 12.858 0.000 . 1 . . . . 94 ILE CD1 . 17290 1 932 . 1 1 94 94 ILE N N 15 122.328 0.028 . 1 . . . . 94 ILE N . 17290 1 933 . 1 1 95 95 PRO HA H 1 4.383 0.001 . 1 . . . . 95 PRO HA . 17290 1 934 . 1 1 95 95 PRO HB2 H 1 2.235 0.000 . 2 . . . . 95 PRO HB2 . 17290 1 935 . 1 1 95 95 PRO HB3 H 1 1.929 0.077 . 2 . . . . 95 PRO HB3 . 17290 1 936 . 1 1 95 95 PRO HG2 H 1 1.944 0.000 . 1 . . . . 95 PRO HG2 . 17290 1 937 . 1 1 95 95 PRO HD2 H 1 3.831 0.000 . 2 . . . . 95 PRO HD2 . 17290 1 938 . 1 1 95 95 PRO HD3 H 1 3.643 0.000 . 2 . . . . 95 PRO HD3 . 17290 1 939 . 1 1 95 95 PRO C C 13 176.595 0.008 . 1 . . . . 95 PRO C . 17290 1 940 . 1 1 95 95 PRO CA C 13 63.126 0.084 . 1 . . . . 95 PRO CA . 17290 1 941 . 1 1 95 95 PRO CB C 13 32.075 0.035 . 1 . . . . 95 PRO CB . 17290 1 942 . 1 1 95 95 PRO CG C 13 27.522 0.000 . 1 . . . . 95 PRO CG . 17290 1 943 . 1 1 95 95 PRO CD C 13 50.952 0.000 . 1 . . . . 95 PRO CD . 17290 1 944 . 1 1 96 96 LEU H H 1 8.245 0.006 . 1 . . . . 96 LEU H . 17290 1 945 . 1 1 96 96 LEU HA H 1 4.289 0.011 . 1 . . . . 96 LEU HA . 17290 1 946 . 1 1 96 96 LEU HB2 H 1 1.635 0.000 . 2 . . . . 96 LEU HB2 . 17290 1 947 . 1 1 96 96 LEU HB3 H 1 1.587 0.016 . 2 . . . . 96 LEU HB3 . 17290 1 948 . 1 1 96 96 LEU HG H 1 1.592 0.020 . 1 . . . . 96 LEU HG . 17290 1 949 . 1 1 96 96 LEU HD11 H 1 0.904 0.000 . 1 . . . . 96 LEU MD1 . 17290 1 950 . 1 1 96 96 LEU HD12 H 1 0.904 0.000 . 1 . . . . 96 LEU MD1 . 17290 1 951 . 1 1 96 96 LEU HD13 H 1 0.904 0.000 . 1 . . . . 96 LEU MD1 . 17290 1 952 . 1 1 96 96 LEU HD21 H 1 0.866 0.000 . 1 . . . . 96 LEU MD2 . 17290 1 953 . 1 1 96 96 LEU HD22 H 1 0.866 0.000 . 1 . . . . 96 LEU MD2 . 17290 1 954 . 1 1 96 96 LEU HD23 H 1 0.866 0.000 . 1 . . . . 96 LEU MD2 . 17290 1 955 . 1 1 96 96 LEU C C 13 177.302 0.007 . 1 . . . . 96 LEU C . 17290 1 956 . 1 1 96 96 LEU CA C 13 55.182 0.056 . 1 . . . . 96 LEU CA . 17290 1 957 . 1 1 96 96 LEU CB C 13 42.507 0.028 . 1 . . . . 96 LEU CB . 17290 1 958 . 1 1 96 96 LEU CG C 13 27.087 0.000 . 1 . . . . 96 LEU CG . 17290 1 959 . 1 1 96 96 LEU CD1 C 13 24.917 0.000 . 1 . . . . 96 LEU CD1 . 17290 1 960 . 1 1 96 96 LEU CD2 C 13 23.739 0.000 . 1 . . . . 96 LEU CD2 . 17290 1 961 . 1 1 96 96 LEU N N 15 122.228 0.075 . 1 . . . . 96 LEU N . 17290 1 962 . 1 1 97 97 MET H H 1 8.326 0.004 . 1 . . . . 97 MET H . 17290 1 963 . 1 1 97 97 MET HA H 1 4.525 0.003 . 1 . . . . 97 MET HA . 17290 1 964 . 1 1 97 97 MET HB2 H 1 1.995 0.000 . 2 . . . . 97 MET HB2 . 17290 1 965 . 1 1 97 97 MET HB3 H 1 1.997 0.000 . 2 . . . . 97 MET HB3 . 17290 1 966 . 1 1 97 97 MET HG2 H 1 2.489 0.001 . 2 . . . . 97 MET HG2 . 17290 1 967 . 1 1 97 97 MET HG3 H 1 2.574 0.007 . 2 . . . . 97 MET HG3 . 17290 1 968 . 1 1 97 97 MET HE1 H 1 2.044 0.000 . 1 . . . . 97 MET ME . 17290 1 969 . 1 1 97 97 MET HE2 H 1 2.044 0.000 . 1 . . . . 97 MET ME . 17290 1 970 . 1 1 97 97 MET HE3 H 1 2.044 0.000 . 1 . . . . 97 MET ME . 17290 1 971 . 1 1 97 97 MET C C 13 175.868 0.019 . 1 . . . . 97 MET C . 17290 1 972 . 1 1 97 97 MET CA C 13 55.123 0.026 . 1 . . . . 97 MET CA . 17290 1 973 . 1 1 97 97 MET CB C 13 32.995 0.040 . 1 . . . . 97 MET CB . 17290 1 974 . 1 1 97 97 MET CG C 13 32.056 0.000 . 1 . . . . 97 MET CG . 17290 1 975 . 1 1 97 97 MET CE C 13 17.097 0.000 . 1 . . . . 97 MET CE . 17290 1 976 . 1 1 97 97 MET N N 15 121.327 0.041 . 1 . . . . 97 MET N . 17290 1 977 . 1 1 98 98 THR H H 1 8.166 0.005 . 1 . . . . 98 THR H . 17290 1 978 . 1 1 98 98 THR HA H 1 4.582 0.005 . 1 . . . . 98 THR HA . 17290 1 979 . 1 1 98 98 THR HB H 1 4.164 0.000 . 1 . . . . 98 THR HB . 17290 1 980 . 1 1 98 98 THR HG21 H 1 1.220 0.006 . 1 . . . . 98 THR MG . 17290 1 981 . 1 1 98 98 THR HG22 H 1 1.220 0.006 . 1 . . . . 98 THR MG . 17290 1 982 . 1 1 98 98 THR HG23 H 1 1.220 0.006 . 1 . . . . 98 THR MG . 17290 1 983 . 1 1 98 98 THR C C 13 172.928 0.000 . 1 . . . . 98 THR C . 17290 1 984 . 1 1 98 98 THR CA C 13 59.686 0.041 . 1 . . . . 98 THR CA . 17290 1 985 . 1 1 98 98 THR CB C 13 69.693 0.000 . 1 . . . . 98 THR CB . 17290 1 986 . 1 1 98 98 THR CG2 C 13 21.410 0.000 . 1 . . . . 98 THR CG2 . 17290 1 987 . 1 1 98 98 THR N N 15 117.780 0.050 . 1 . . . . 98 THR N . 17290 1 988 . 1 1 99 99 PRO HA H 1 4.393 0.004 . 1 . . . . 99 PRO HA . 17290 1 989 . 1 1 99 99 PRO HB2 H 1 2.287 0.000 . 2 . . . . 99 PRO HB2 . 17290 1 990 . 1 1 99 99 PRO HB3 H 1 1.901 0.000 . 2 . . . . 99 PRO HB3 . 17290 1 991 . 1 1 99 99 PRO HG2 H 1 2.010 0.000 . 2 . . . . 99 PRO HG2 . 17290 1 992 . 1 1 99 99 PRO HG3 H 1 2.010 0.000 . 2 . . . . 99 PRO HG3 . 17290 1 993 . 1 1 99 99 PRO HD2 H 1 3.823 0.000 . 2 . . . . 99 PRO HD2 . 17290 1 994 . 1 1 99 99 PRO HD3 H 1 3.704 0.000 . 2 . . . . 99 PRO HD3 . 17290 1 995 . 1 1 99 99 PRO C C 13 176.615 0.010 . 1 . . . . 99 PRO C . 17290 1 996 . 1 1 99 99 PRO CA C 13 63.461 0.048 . 1 . . . . 99 PRO CA . 17290 1 997 . 1 1 99 99 PRO CB C 13 32.252 0.039 . 1 . . . . 99 PRO CB . 17290 1 998 . 1 1 99 99 PRO CG C 13 27.398 0.000 . 1 . . . . 99 PRO CG . 17290 1 999 . 1 1 99 99 PRO CD C 13 51.041 0.000 . 1 . . . . 99 PRO CD . 17290 1 1000 . 1 1 100 100 ASN H H 1 8.491 0.007 . 1 . . . . 100 ASN H . 17290 1 1001 . 1 1 100 100 ASN HA H 1 4.686 0.015 . 1 . . . . 100 ASN HA . 17290 1 1002 . 1 1 100 100 ASN HB2 H 1 2.820 0.009 . 2 . . . . 100 ASN HB2 . 17290 1 1003 . 1 1 100 100 ASN HB3 H 1 2.764 0.000 . 2 . . . . 100 ASN HB3 . 17290 1 1004 . 1 1 100 100 ASN C C 13 175.370 0.013 . 1 . . . . 100 ASN C . 17290 1 1005 . 1 1 100 100 ASN CA C 13 53.396 0.035 . 1 . . . . 100 ASN CA . 17290 1 1006 . 1 1 100 100 ASN CB C 13 38.763 0.031 . 1 . . . . 100 ASN CB . 17290 1 1007 . 1 1 100 100 ASN N N 15 118.407 0.084 . 1 . . . . 100 ASN N . 17290 1 1008 . 1 1 101 101 THR H H 1 8.044 0.005 . 1 . . . . 101 THR H . 17290 1 1009 . 1 1 101 101 THR HA H 1 4.308 0.003 . 1 . . . . 101 THR HA . 17290 1 1010 . 1 1 101 101 THR HB H 1 4.200 0.005 . 1 . . . . 101 THR HB . 17290 1 1011 . 1 1 101 101 THR HG21 H 1 1.160 0.009 . 1 . . . . 101 THR MG . 17290 1 1012 . 1 1 101 101 THR HG22 H 1 1.160 0.009 . 1 . . . . 101 THR MG . 17290 1 1013 . 1 1 101 101 THR HG23 H 1 1.160 0.009 . 1 . . . . 101 THR MG . 17290 1 1014 . 1 1 101 101 THR C C 13 174.493 0.018 . 1 . . . . 101 THR C . 17290 1 1015 . 1 1 101 101 THR CA C 13 62.112 0.041 . 1 . . . . 101 THR CA . 17290 1 1016 . 1 1 101 101 THR CB C 13 69.798 0.072 . 1 . . . . 101 THR CB . 17290 1 1017 . 1 1 101 101 THR CG2 C 13 21.703 0.040 . 1 . . . . 101 THR CG2 . 17290 1 1018 . 1 1 101 101 THR N N 15 114.425 0.035 . 1 . . . . 101 THR N . 17290 1 1019 . 1 1 102 102 ILE H H 1 8.161 0.004 . 1 . . . . 102 ILE H . 17290 1 1020 . 1 1 102 102 ILE HA H 1 4.224 0.012 . 1 . . . . 102 ILE HA . 17290 1 1021 . 1 1 102 102 ILE HB H 1 1.876 0.001 . 1 . . . . 102 ILE HB . 17290 1 1022 . 1 1 102 102 ILE HG21 H 1 0.878 0.004 . 1 . . . . 102 ILE MG . 17290 1 1023 . 1 1 102 102 ILE HG22 H 1 0.878 0.004 . 1 . . . . 102 ILE MG . 17290 1 1024 . 1 1 102 102 ILE HG23 H 1 0.878 0.004 . 1 . . . . 102 ILE MG . 17290 1 1025 . 1 1 102 102 ILE HD11 H 1 0.835 0.006 . 1 . . . . 102 ILE MD . 17290 1 1026 . 1 1 102 102 ILE HD12 H 1 0.835 0.006 . 1 . . . . 102 ILE MD . 17290 1 1027 . 1 1 102 102 ILE HD13 H 1 0.835 0.006 . 1 . . . . 102 ILE MD . 17290 1 1028 . 1 1 102 102 ILE C C 13 176.235 0.015 . 1 . . . . 102 ILE C . 17290 1 1029 . 1 1 102 102 ILE CA C 13 61.290 0.046 . 1 . . . . 102 ILE CA . 17290 1 1030 . 1 1 102 102 ILE CB C 13 38.728 0.060 . 1 . . . . 102 ILE CB . 17290 1 1031 . 1 1 102 102 ILE CG1 C 13 27.479 0.000 . 1 . . . . 102 ILE CG1 . 17290 1 1032 . 1 1 102 102 ILE CG2 C 13 17.630 0.037 . 1 . . . . 102 ILE CG2 . 17290 1 1033 . 1 1 102 102 ILE CD1 C 13 13.000 0.047 . 1 . . . . 102 ILE CD1 . 17290 1 1034 . 1 1 102 102 ILE N N 15 123.080 0.048 . 1 . . . . 102 ILE N . 17290 1 1035 . 1 1 103 103 THR H H 1 8.171 0.005 . 1 . . . . 103 THR H . 17290 1 1036 . 1 1 103 103 THR HA H 1 4.305 0.006 . 1 . . . . 103 THR HA . 17290 1 1037 . 1 1 103 103 THR HB H 1 4.136 0.005 . 1 . . . . 103 THR HB . 17290 1 1038 . 1 1 103 103 THR HG21 H 1 1.172 0.009 . 1 . . . . 103 THR MG . 17290 1 1039 . 1 1 103 103 THR HG22 H 1 1.172 0.009 . 1 . . . . 103 THR MG . 17290 1 1040 . 1 1 103 103 THR HG23 H 1 1.172 0.009 . 1 . . . . 103 THR MG . 17290 1 1041 . 1 1 103 103 THR C C 13 174.107 0.007 . 1 . . . . 103 THR C . 17290 1 1042 . 1 1 103 103 THR CA C 13 61.918 0.064 . 1 . . . . 103 THR CA . 17290 1 1043 . 1 1 103 103 THR CB C 13 69.682 0.074 . 1 . . . . 103 THR CB . 17290 1 1044 . 1 1 103 103 THR CG2 C 13 21.713 0.000 . 1 . . . . 103 THR CG2 . 17290 1 1045 . 1 1 103 103 THR N N 15 118.349 0.041 . 1 . . . . 103 THR N . 17290 1 1046 . 1 1 104 104 MET H H 1 8.296 0.005 . 1 . . . . 104 MET H . 17290 1 1047 . 1 1 104 104 MET HA H 1 4.470 0.004 . 1 . . . . 104 MET HA . 17290 1 1048 . 1 1 104 104 MET HB2 H 1 2.018 0.000 . 2 . . . . 104 MET HB2 . 17290 1 1049 . 1 1 104 104 MET HB3 H 1 1.972 0.001 . 2 . . . . 104 MET HB3 . 17290 1 1050 . 1 1 104 104 MET HG2 H 1 2.476 0.003 . 2 . . . . 104 MET HG2 . 17290 1 1051 . 1 1 104 104 MET HG3 H 1 2.535 0.009 . 2 . . . . 104 MET HG3 . 17290 1 1052 . 1 1 104 104 MET HE1 H 1 2.048 0.000 . 1 . . . . 104 MET ME . 17290 1 1053 . 1 1 104 104 MET HE2 H 1 2.048 0.000 . 1 . . . . 104 MET ME . 17290 1 1054 . 1 1 104 104 MET HE3 H 1 2.048 0.000 . 1 . . . . 104 MET ME . 17290 1 1055 . 1 1 104 104 MET C C 13 175.534 0.016 . 1 . . . . 104 MET C . 17290 1 1056 . 1 1 104 104 MET CA C 13 55.219 0.039 . 1 . . . . 104 MET CA . 17290 1 1057 . 1 1 104 104 MET CB C 13 32.978 0.046 . 1 . . . . 104 MET CB . 17290 1 1058 . 1 1 104 104 MET CG C 13 32.026 0.031 . 1 . . . . 104 MET CG . 17290 1 1059 . 1 1 104 104 MET CE C 13 17.122 0.000 . 1 . . . . 104 MET CE . 17290 1 1060 . 1 1 104 104 MET N N 15 123.423 0.032 . 1 . . . . 104 MET N . 17290 1 1061 . 1 1 105 105 ILE H H 1 8.208 0.005 . 1 . . . . 105 ILE H . 17290 1 1062 . 1 1 105 105 ILE HA H 1 4.426 0.004 . 1 . . . . 105 ILE HA . 17290 1 1063 . 1 1 105 105 ILE HB H 1 1.849 0.004 . 1 . . . . 105 ILE HB . 17290 1 1064 . 1 1 105 105 ILE HG21 H 1 0.919 0.003 . 1 . . . . 105 ILE MG . 17290 1 1065 . 1 1 105 105 ILE HG22 H 1 0.919 0.003 . 1 . . . . 105 ILE MG . 17290 1 1066 . 1 1 105 105 ILE HG23 H 1 0.919 0.003 . 1 . . . . 105 ILE MG . 17290 1 1067 . 1 1 105 105 ILE HD11 H 1 0.831 0.000 . 1 . . . . 105 ILE MD . 17290 1 1068 . 1 1 105 105 ILE HD12 H 1 0.831 0.000 . 1 . . . . 105 ILE MD . 17290 1 1069 . 1 1 105 105 ILE HD13 H 1 0.831 0.000 . 1 . . . . 105 ILE MD . 17290 1 1070 . 1 1 105 105 ILE C C 13 174.604 0.000 . 1 . . . . 105 ILE C . 17290 1 1071 . 1 1 105 105 ILE CA C 13 58.641 0.017 . 1 . . . . 105 ILE CA . 17290 1 1072 . 1 1 105 105 ILE CB C 13 38.625 0.013 . 1 . . . . 105 ILE CB . 17290 1 1073 . 1 1 105 105 ILE CG2 C 13 17.183 0.000 . 1 . . . . 105 ILE CG2 . 17290 1 1074 . 1 1 105 105 ILE CD1 C 13 12.721 0.000 . 1 . . . . 105 ILE CD1 . 17290 1 1075 . 1 1 105 105 ILE N N 15 124.195 0.034 . 1 . . . . 105 ILE N . 17290 1 1076 . 1 1 106 106 PRO HA H 1 4.382 0.000 . 1 . . . . 106 PRO HA . 17290 1 1077 . 1 1 106 106 PRO C C 13 176.673 0.023 . 1 . . . . 106 PRO C . 17290 1 1078 . 1 1 106 106 PRO CA C 13 63.194 0.016 . 1 . . . . 106 PRO CA . 17290 1 1079 . 1 1 106 106 PRO CB C 13 32.103 0.031 . 1 . . . . 106 PRO CB . 17290 1 1080 . 1 1 106 106 PRO CG C 13 27.356 0.000 . 1 . . . . 106 PRO CG . 17290 1 1081 . 1 1 106 106 PRO CD C 13 50.991 0.000 . 1 . . . . 106 PRO CD . 17290 1 1082 . 1 1 107 107 ASN H H 1 8.520 0.004 . 1 . . . . 107 ASN H . 17290 1 1083 . 1 1 107 107 ASN HA H 1 4.608 0.006 . 1 . . . . 107 ASN HA . 17290 1 1084 . 1 1 107 107 ASN HB2 H 1 2.811 0.002 . 2 . . . . 107 ASN HB2 . 17290 1 1085 . 1 1 107 107 ASN HB3 H 1 2.811 0.002 . 2 . . . . 107 ASN HB3 . 17290 1 1086 . 1 1 107 107 ASN C C 13 175.450 0.014 . 1 . . . . 107 ASN C . 17290 1 1087 . 1 1 107 107 ASN CA C 13 53.667 0.026 . 1 . . . . 107 ASN CA . 17290 1 1088 . 1 1 107 107 ASN CB C 13 38.682 0.026 . 1 . . . . 107 ASN CB . 17290 1 1089 . 1 1 107 107 ASN N N 15 118.774 0.026 . 1 . . . . 107 ASN N . 17290 1 1090 . 1 1 108 108 SER H H 1 8.210 0.004 . 1 . . . . 108 SER H . 17290 1 1091 . 1 1 108 108 SER HA H 1 4.377 0.004 . 1 . . . . 108 SER HA . 17290 1 1092 . 1 1 108 108 SER HB2 H 1 3.892 0.004 . 2 . . . . 108 SER HB2 . 17290 1 1093 . 1 1 108 108 SER HB3 H 1 3.821 0.000 . 2 . . . . 108 SER HB3 . 17290 1 1094 . 1 1 108 108 SER C C 13 174.650 0.027 . 1 . . . . 108 SER C . 17290 1 1095 . 1 1 108 108 SER CA C 13 58.601 0.052 . 1 . . . . 108 SER CA . 17290 1 1096 . 1 1 108 108 SER CB C 13 63.757 0.043 . 1 . . . . 108 SER CB . 17290 1 1097 . 1 1 108 108 SER N N 15 115.420 0.024 . 1 . . . . 108 SER N . 17290 1 1098 . 1 1 109 109 LEU H H 1 8.260 0.005 . 1 . . . . 109 LEU H . 17290 1 1099 . 1 1 109 109 LEU HA H 1 4.378 0.004 . 1 . . . . 109 LEU HA . 17290 1 1100 . 1 1 109 109 LEU HB2 H 1 1.641 0.005 . 2 . . . . 109 LEU HB2 . 17290 1 1101 . 1 1 109 109 LEU HB3 H 1 1.596 0.002 . 2 . . . . 109 LEU HB3 . 17290 1 1102 . 1 1 109 109 LEU HG H 1 1.594 0.004 . 1 . . . . 109 LEU HG . 17290 1 1103 . 1 1 109 109 LEU HD11 H 1 0.893 0.000 . 1 . . . . 109 LEU MD1 . 17290 1 1104 . 1 1 109 109 LEU HD12 H 1 0.893 0.000 . 1 . . . . 109 LEU MD1 . 17290 1 1105 . 1 1 109 109 LEU HD13 H 1 0.893 0.000 . 1 . . . . 109 LEU MD1 . 17290 1 1106 . 1 1 109 109 LEU HD21 H 1 0.837 0.000 . 1 . . . . 109 LEU MD2 . 17290 1 1107 . 1 1 109 109 LEU HD22 H 1 0.837 0.000 . 1 . . . . 109 LEU MD2 . 17290 1 1108 . 1 1 109 109 LEU HD23 H 1 0.837 0.000 . 1 . . . . 109 LEU MD2 . 17290 1 1109 . 1 1 109 109 LEU C C 13 177.498 0.019 . 1 . . . . 109 LEU C . 17290 1 1110 . 1 1 109 109 LEU CA C 13 55.379 0.034 . 1 . . . . 109 LEU CA . 17290 1 1111 . 1 1 109 109 LEU CB C 13 42.170 0.058 . 1 . . . . 109 LEU CB . 17290 1 1112 . 1 1 109 109 LEU CG C 13 27.130 0.000 . 1 . . . . 109 LEU CG . 17290 1 1113 . 1 1 109 109 LEU CD1 C 13 25.094 0.000 . 1 . . . . 109 LEU CD1 . 17290 1 1114 . 1 1 109 109 LEU CD2 C 13 23.464 0.000 . 1 . . . . 109 LEU CD2 . 17290 1 1115 . 1 1 109 109 LEU N N 15 123.486 0.074 . 1 . . . . 109 LEU N . 17290 1 1116 . 1 1 110 110 VAL H H 1 7.870 0.005 . 1 . . . . 110 VAL H . 17290 1 1117 . 1 1 110 110 VAL HA H 1 4.035 0.006 . 1 . . . . 110 VAL HA . 17290 1 1118 . 1 1 110 110 VAL HB H 1 2.048 0.003 . 1 . . . . 110 VAL HB . 17290 1 1119 . 1 1 110 110 VAL HG11 H 1 0.918 0.000 . 1 . . . . 110 VAL MG1 . 17290 1 1120 . 1 1 110 110 VAL HG12 H 1 0.918 0.000 . 1 . . . . 110 VAL MG1 . 17290 1 1121 . 1 1 110 110 VAL HG13 H 1 0.918 0.000 . 1 . . . . 110 VAL MG1 . 17290 1 1122 . 1 1 110 110 VAL HG21 H 1 0.920 0.003 . 1 . . . . 110 VAL MG2 . 17290 1 1123 . 1 1 110 110 VAL HG22 H 1 0.920 0.003 . 1 . . . . 110 VAL MG2 . 17290 1 1124 . 1 1 110 110 VAL HG23 H 1 0.920 0.003 . 1 . . . . 110 VAL MG2 . 17290 1 1125 . 1 1 110 110 VAL C C 13 176.768 0.012 . 1 . . . . 110 VAL C . 17290 1 1126 . 1 1 110 110 VAL CA C 13 62.877 0.042 . 1 . . . . 110 VAL CA . 17290 1 1127 . 1 1 110 110 VAL CB C 13 32.571 0.018 . 1 . . . . 110 VAL CB . 17290 1 1128 . 1 1 110 110 VAL CG1 C 13 20.906 0.021 . 1 . . . . 110 VAL CG1 . 17290 1 1129 . 1 1 110 110 VAL CG2 C 13 20.860 0.096 . 1 . . . . 110 VAL CG2 . 17290 1 1130 . 1 1 110 110 VAL N N 15 119.855 0.031 . 1 . . . . 110 VAL N . 17290 1 1131 . 1 1 111 111 GLY H H 1 8.395 0.005 . 1 . . . . 111 GLY H . 17290 1 1132 . 1 1 111 111 GLY HA2 H 1 3.923 0.003 . 2 . . . . 111 GLY HA2 . 17290 1 1133 . 1 1 111 111 GLY HA3 H 1 3.925 0.001 . 2 . . . . 111 GLY HA3 . 17290 1 1134 . 1 1 111 111 GLY C C 13 174.278 0.013 . 1 . . . . 111 GLY C . 17290 1 1135 . 1 1 111 111 GLY CA C 13 45.342 0.014 . 1 . . . . 111 GLY CA . 17290 1 1136 . 1 1 111 111 GLY N N 15 111.868 0.029 . 1 . . . . 111 GLY N . 17290 1 1137 . 1 1 112 112 LEU H H 1 8.034 0.009 . 1 . . . . 112 LEU H . 17290 1 1138 . 1 1 112 112 LEU HA H 1 4.306 0.004 . 1 . . . . 112 LEU HA . 17290 1 1139 . 1 1 112 112 LEU HB2 H 1 1.607 0.001 . 2 . . . . 112 LEU HB2 . 17290 1 1140 . 1 1 112 112 LEU HB3 H 1 1.607 0.001 . 2 . . . . 112 LEU HB3 . 17290 1 1141 . 1 1 112 112 LEU HG H 1 1.607 0.001 . 1 . . . . 112 LEU HG . 17290 1 1142 . 1 1 112 112 LEU HD11 H 1 0.905 0.000 . 1 . . . . 112 LEU MD1 . 17290 1 1143 . 1 1 112 112 LEU HD12 H 1 0.905 0.000 . 1 . . . . 112 LEU MD1 . 17290 1 1144 . 1 1 112 112 LEU HD13 H 1 0.905 0.000 . 1 . . . . 112 LEU MD1 . 17290 1 1145 . 1 1 112 112 LEU HD21 H 1 0.848 0.000 . 1 . . . . 112 LEU MD2 . 17290 1 1146 . 1 1 112 112 LEU HD22 H 1 0.848 0.000 . 1 . . . . 112 LEU MD2 . 17290 1 1147 . 1 1 112 112 LEU HD23 H 1 0.848 0.000 . 1 . . . . 112 LEU MD2 . 17290 1 1148 . 1 1 112 112 LEU C C 13 177.646 0.019 . 1 . . . . 112 LEU C . 17290 1 1149 . 1 1 112 112 LEU CA C 13 55.517 0.058 . 1 . . . . 112 LEU CA . 17290 1 1150 . 1 1 112 112 LEU CB C 13 42.391 0.050 . 1 . . . . 112 LEU CB . 17290 1 1151 . 1 1 112 112 LEU CG C 13 27.145 0.000 . 1 . . . . 112 LEU CG . 17290 1 1152 . 1 1 112 112 LEU CD1 C 13 24.973 0.000 . 1 . . . . 112 LEU CD1 . 17290 1 1153 . 1 1 112 112 LEU CD2 C 13 23.683 0.000 . 1 . . . . 112 LEU CD2 . 17290 1 1154 . 1 1 112 112 LEU N N 15 121.608 0.017 . 1 . . . . 112 LEU N . 17290 1 1155 . 1 1 113 113 GLN H H 1 8.413 0.005 . 1 . . . . 113 GLN H . 17290 1 1156 . 1 1 113 113 GLN HA H 1 4.339 0.008 . 1 . . . . 113 GLN HA . 17290 1 1157 . 1 1 113 113 GLN HB2 H 1 2.105 0.000 . 2 . . . . 113 GLN HB2 . 17290 1 1158 . 1 1 113 113 GLN HB3 H 1 1.986 0.000 . 2 . . . . 113 GLN HB3 . 17290 1 1159 . 1 1 113 113 GLN HG2 H 1 2.353 0.001 . 2 . . . . 113 GLN HG2 . 17290 1 1160 . 1 1 113 113 GLN HG3 H 1 2.353 0.001 . 2 . . . . 113 GLN HG3 . 17290 1 1161 . 1 1 113 113 GLN C C 13 176.084 0.003 . 1 . . . . 113 GLN C . 17290 1 1162 . 1 1 113 113 GLN CA C 13 56.029 0.041 . 1 . . . . 113 GLN CA . 17290 1 1163 . 1 1 113 113 GLN CB C 13 29.273 0.008 . 1 . . . . 113 GLN CB . 17290 1 1164 . 1 1 113 113 GLN CG C 13 33.893 0.000 . 1 . . . . 113 GLN CG . 17290 1 1165 . 1 1 113 113 GLN N N 15 120.629 0.028 . 1 . . . . 113 GLN N . 17290 1 1166 . 1 1 114 114 THR H H 1 8.029 0.006 . 1 . . . . 114 THR H . 17290 1 1167 . 1 1 114 114 THR HA H 1 4.242 0.011 . 1 . . . . 114 THR HA . 17290 1 1168 . 1 1 114 114 THR HB H 1 4.127 0.001 . 1 . . . . 114 THR HB . 17290 1 1169 . 1 1 114 114 THR HG21 H 1 1.121 0.007 . 1 . . . . 114 THR MG . 17290 1 1170 . 1 1 114 114 THR HG22 H 1 1.121 0.007 . 1 . . . . 114 THR MG . 17290 1 1171 . 1 1 114 114 THR HG23 H 1 1.121 0.007 . 1 . . . . 114 THR MG . 17290 1 1172 . 1 1 114 114 THR C C 13 174.211 0.047 . 1 . . . . 114 THR C . 17290 1 1173 . 1 1 114 114 THR CA C 13 61.963 0.059 . 1 . . . . 114 THR CA . 17290 1 1174 . 1 1 114 114 THR CB C 13 69.635 0.039 . 1 . . . . 114 THR CB . 17290 1 1175 . 1 1 114 114 THR CG2 C 13 21.644 0.005 . 1 . . . . 114 THR CG2 . 17290 1 1176 . 1 1 114 114 THR N N 15 114.919 0.048 . 1 . . . . 114 THR N . 17290 1 1177 . 1 1 115 115 LEU H H 1 8.113 0.004 . 1 . . . . 115 LEU H . 17290 1 1178 . 1 1 115 115 LEU HA H 1 4.257 0.004 . 1 . . . . 115 LEU HA . 17290 1 1179 . 1 1 115 115 LEU HB2 H 1 1.543 0.001 . 2 . . . . 115 LEU HB2 . 17290 1 1180 . 1 1 115 115 LEU HB3 H 1 1.406 0.001 . 2 . . . . 115 LEU HB3 . 17290 1 1181 . 1 1 115 115 LEU HG H 1 1.405 0.000 . 1 . . . . 115 LEU HG . 17290 1 1182 . 1 1 115 115 LEU HD11 H 1 0.863 0.000 . 1 . . . . 115 LEU MD1 . 17290 1 1183 . 1 1 115 115 LEU HD12 H 1 0.863 0.000 . 1 . . . . 115 LEU MD1 . 17290 1 1184 . 1 1 115 115 LEU HD13 H 1 0.863 0.000 . 1 . . . . 115 LEU MD1 . 17290 1 1185 . 1 1 115 115 LEU HD21 H 1 0.800 0.000 . 1 . . . . 115 LEU MD2 . 17290 1 1186 . 1 1 115 115 LEU HD22 H 1 0.800 0.000 . 1 . . . . 115 LEU MD2 . 17290 1 1187 . 1 1 115 115 LEU HD23 H 1 0.800 0.000 . 1 . . . . 115 LEU MD2 . 17290 1 1188 . 1 1 115 115 LEU C C 13 176.586 0.019 . 1 . . . . 115 LEU C . 17290 1 1189 . 1 1 115 115 LEU CA C 13 55.187 0.019 . 1 . . . . 115 LEU CA . 17290 1 1190 . 1 1 115 115 LEU CB C 13 42.485 0.033 . 1 . . . . 115 LEU CB . 17290 1 1191 . 1 1 115 115 LEU CG C 13 27.033 0.000 . 1 . . . . 115 LEU CG . 17290 1 1192 . 1 1 115 115 LEU CD1 C 13 24.843 0.000 . 1 . . . . 115 LEU CD1 . 17290 1 1193 . 1 1 115 115 LEU CD2 C 13 23.530 0.000 . 1 . . . . 115 LEU CD2 . 17290 1 1194 . 1 1 115 115 LEU N N 15 123.929 0.057 . 1 . . . . 115 LEU N . 17290 1 1195 . 1 1 116 116 HIS H H 1 8.306 0.006 . 1 . . . . 116 HIS H . 17290 1 1196 . 1 1 116 116 HIS HA H 1 4.901 0.007 . 1 . . . . 116 HIS HA . 17290 1 1197 . 1 1 116 116 HIS HB2 H 1 3.028 0.000 . 2 . . . . 116 HIS HB2 . 17290 1 1198 . 1 1 116 116 HIS HB3 H 1 3.028 0.000 . 2 . . . . 116 HIS HB3 . 17290 1 1199 . 1 1 116 116 HIS C C 13 172.718 0.000 . 1 . . . . 116 HIS C . 17290 1 1200 . 1 1 116 116 HIS CA C 13 53.285 0.008 . 1 . . . . 116 HIS CA . 17290 1 1201 . 1 1 116 116 HIS CB C 13 29.340 0.000 . 1 . . . . 116 HIS CB . 17290 1 1202 . 1 1 116 116 HIS N N 15 119.416 0.044 . 1 . . . . 116 HIS N . 17290 1 1203 . 1 1 117 117 PRO HA H 1 4.354 0.003 . 1 . . . . 117 PRO HA . 17290 1 1204 . 1 1 117 117 PRO HB2 H 1 2.179 0.009 . 2 . . . . 117 PRO HB2 . 17290 1 1205 . 1 1 117 117 PRO HB3 H 1 1.789 0.000 . 2 . . . . 117 PRO HB3 . 17290 1 1206 . 1 1 117 117 PRO HG2 H 1 1.910 0.000 . 2 . . . . 117 PRO HG2 . 17290 1 1207 . 1 1 117 117 PRO HG3 H 1 1.874 0.000 . 2 . . . . 117 PRO HG3 . 17290 1 1208 . 1 1 117 117 PRO HD2 H 1 3.609 0.000 . 2 . . . . 117 PRO HD2 . 17290 1 1209 . 1 1 117 117 PRO HD3 H 1 3.498 0.000 . 2 . . . . 117 PRO HD3 . 17290 1 1210 . 1 1 117 117 PRO C C 13 176.603 0.007 . 1 . . . . 117 PRO C . 17290 1 1211 . 1 1 117 117 PRO CA C 13 63.353 0.023 . 1 . . . . 117 PRO CA . 17290 1 1212 . 1 1 117 117 PRO CB C 13 31.921 0.017 . 1 . . . . 117 PRO CB . 17290 1 1213 . 1 1 117 117 PRO CG C 13 27.326 0.000 . 1 . . . . 117 PRO CG . 17290 1 1214 . 1 1 117 117 PRO CD C 13 50.502 0.000 . 1 . . . . 117 PRO CD . 17290 1 1215 . 1 1 118 118 TYR H H 1 8.264 0.009 . 1 . . . . 118 TYR H . 17290 1 1216 . 1 1 118 118 TYR HA H 1 4.533 0.007 . 1 . . . . 118 TYR HA . 17290 1 1217 . 1 1 118 118 TYR HB2 H 1 3.013 0.000 . 2 . . . . 118 TYR HB2 . 17290 1 1218 . 1 1 118 118 TYR HB3 H 1 2.971 0.003 . 2 . . . . 118 TYR HB3 . 17290 1 1219 . 1 1 118 118 TYR C C 13 175.535 0.019 . 1 . . . . 118 TYR C . 17290 1 1220 . 1 1 118 118 TYR CA C 13 57.776 0.025 . 1 . . . . 118 TYR CA . 17290 1 1221 . 1 1 118 118 TYR CB C 13 38.632 0.046 . 1 . . . . 118 TYR CB . 17290 1 1222 . 1 1 118 118 TYR N N 15 119.939 0.073 . 1 . . . . 118 TYR N . 17290 1 1223 . 1 1 119 119 ASN H H 1 8.256 0.005 . 1 . . . . 119 ASN H . 17290 1 1224 . 1 1 119 119 ASN HA H 1 4.653 0.002 . 1 . . . . 119 ASN HA . 17290 1 1225 . 1 1 119 119 ASN HB2 H 1 2.700 0.001 . 2 . . . . 119 ASN HB2 . 17290 1 1226 . 1 1 119 119 ASN HB3 H 1 2.644 0.002 . 2 . . . . 119 ASN HB3 . 17290 1 1227 . 1 1 119 119 ASN C C 13 175.078 0.022 . 1 . . . . 119 ASN C . 17290 1 1228 . 1 1 119 119 ASN CA C 13 53.062 0.052 . 1 . . . . 119 ASN CA . 17290 1 1229 . 1 1 119 119 ASN CB C 13 38.940 0.026 . 1 . . . . 119 ASN CB . 17290 1 1230 . 1 1 119 119 ASN N N 15 120.245 0.069 . 1 . . . . 119 ASN N . 17290 1 1231 . 1 1 120 120 THR H H 1 7.948 0.005 . 1 . . . . 120 THR H . 17290 1 1232 . 1 1 120 120 THR HA H 1 4.148 0.003 . 1 . . . . 120 THR HA . 17290 1 1233 . 1 1 120 120 THR HB H 1 4.093 0.001 . 1 . . . . 120 THR HB . 17290 1 1234 . 1 1 120 120 THR HG21 H 1 1.054 0.004 . 1 . . . . 120 THR MG . 17290 1 1235 . 1 1 120 120 THR HG22 H 1 1.054 0.004 . 1 . . . . 120 THR MG . 17290 1 1236 . 1 1 120 120 THR HG23 H 1 1.054 0.004 . 1 . . . . 120 THR MG . 17290 1 1237 . 1 1 120 120 THR C C 13 174.304 0.013 . 1 . . . . 120 THR C . 17290 1 1238 . 1 1 120 120 THR CA C 13 62.167 0.032 . 1 . . . . 120 THR CA . 17290 1 1239 . 1 1 120 120 THR CB C 13 69.560 0.047 . 1 . . . . 120 THR CB . 17290 1 1240 . 1 1 120 120 THR CG2 C 13 21.547 0.021 . 1 . . . . 120 THR CG2 . 17290 1 1241 . 1 1 120 120 THR N N 15 114.088 0.039 . 1 . . . . 120 THR N . 17290 1 1242 . 1 1 121 121 PHE H H 1 8.123 0.004 . 1 . . . . 121 PHE H . 17290 1 1243 . 1 1 121 121 PHE HA H 1 4.543 0.007 . 1 . . . . 121 PHE HA . 17290 1 1244 . 1 1 121 121 PHE HB2 H 1 3.107 0.002 . 2 . . . . 121 PHE HB2 . 17290 1 1245 . 1 1 121 121 PHE HB3 H 1 2.978 0.001 . 2 . . . . 121 PHE HB3 . 17290 1 1246 . 1 1 121 121 PHE C C 13 175.582 0.004 . 1 . . . . 121 PHE C . 17290 1 1247 . 1 1 121 121 PHE CA C 13 57.825 0.022 . 1 . . . . 121 PHE CA . 17290 1 1248 . 1 1 121 121 PHE CB C 13 39.374 0.010 . 1 . . . . 121 PHE CB . 17290 1 1249 . 1 1 121 121 PHE N N 15 121.813 0.029 . 1 . . . . 121 PHE N . 17290 1 1250 . 1 1 122 122 ALA H H 1 8.078 0.005 . 1 . . . . 122 ALA H . 17290 1 1251 . 1 1 122 122 ALA HA H 1 4.207 0.008 . 1 . . . . 122 ALA HA . 17290 1 1252 . 1 1 122 122 ALA HB1 H 1 1.305 0.004 . 1 . . . . 122 ALA MB . 17290 1 1253 . 1 1 122 122 ALA HB2 H 1 1.305 0.004 . 1 . . . . 122 ALA MB . 17290 1 1254 . 1 1 122 122 ALA HB3 H 1 1.305 0.004 . 1 . . . . 122 ALA MB . 17290 1 1255 . 1 1 122 122 ALA C C 13 177.159 0.009 . 1 . . . . 122 ALA C . 17290 1 1256 . 1 1 122 122 ALA CA C 13 52.455 0.018 . 1 . . . . 122 ALA CA . 17290 1 1257 . 1 1 122 122 ALA CB C 13 19.279 0.070 . 1 . . . . 122 ALA CB . 17290 1 1258 . 1 1 122 122 ALA N N 15 125.179 0.047 . 1 . . . . 122 ALA N . 17290 1 1259 . 1 1 123 123 ALA H H 1 8.128 0.004 . 1 . . . . 123 ALA H . 17290 1 1260 . 1 1 123 123 ALA HA H 1 4.224 0.005 . 1 . . . . 123 ALA HA . 17290 1 1261 . 1 1 123 123 ALA HB1 H 1 1.348 0.006 . 1 . . . . 123 ALA MB . 17290 1 1262 . 1 1 123 123 ALA HB2 H 1 1.348 0.006 . 1 . . . . 123 ALA MB . 17290 1 1263 . 1 1 123 123 ALA HB3 H 1 1.348 0.006 . 1 . . . . 123 ALA MB . 17290 1 1264 . 1 1 123 123 ALA C C 13 178.205 0.019 . 1 . . . . 123 ALA C . 17290 1 1265 . 1 1 123 123 ALA CA C 13 52.786 0.017 . 1 . . . . 123 ALA CA . 17290 1 1266 . 1 1 123 123 ALA CB C 13 19.057 0.053 . 1 . . . . 123 ALA CB . 17290 1 1267 . 1 1 123 123 ALA N N 15 122.947 0.039 . 1 . . . . 123 ALA N . 17290 1 1268 . 1 1 124 124 GLY H H 1 8.223 0.005 . 1 . . . . 124 GLY H . 17290 1 1269 . 1 1 124 124 GLY HA2 H 1 3.882 0.010 . 2 . . . . 124 GLY HA2 . 17290 1 1270 . 1 1 124 124 GLY HA3 H 1 3.833 0.000 . 2 . . . . 124 GLY HA3 . 17290 1 1271 . 1 1 124 124 GLY C C 13 174.035 0.005 . 1 . . . . 124 GLY C . 17290 1 1272 . 1 1 124 124 GLY CA C 13 45.196 0.019 . 1 . . . . 124 GLY CA . 17290 1 1273 . 1 1 124 124 GLY N N 15 107.581 0.032 . 1 . . . . 124 GLY N . 17290 1 1274 . 1 1 125 125 PHE H H 1 8.041 0.005 . 1 . . . . 125 PHE H . 17290 1 1275 . 1 1 125 125 PHE HA H 1 4.541 0.005 . 1 . . . . 125 PHE HA . 17290 1 1276 . 1 1 125 125 PHE HB2 H 1 3.058 0.007 . 2 . . . . 125 PHE HB2 . 17290 1 1277 . 1 1 125 125 PHE HB3 H 1 3.008 0.002 . 2 . . . . 125 PHE HB3 . 17290 1 1278 . 1 1 125 125 PHE C C 13 175.527 0.035 . 1 . . . . 125 PHE C . 17290 1 1279 . 1 1 125 125 PHE CA C 13 57.971 0.087 . 1 . . . . 125 PHE CA . 17290 1 1280 . 1 1 125 125 PHE CB C 13 39.623 0.070 . 1 . . . . 125 PHE CB . 17290 1 1281 . 1 1 125 125 PHE N N 15 120.030 0.017 . 1 . . . . 125 PHE N . 17290 1 1282 . 1 1 126 126 ASN H H 1 8.361 0.004 . 1 . . . . 126 ASN H . 17290 1 1283 . 1 1 126 126 ASN HA H 1 4.654 0.005 . 1 . . . . 126 ASN HA . 17290 1 1284 . 1 1 126 126 ASN HB2 H 1 2.770 0.003 . 2 . . . . 126 ASN HB2 . 17290 1 1285 . 1 1 126 126 ASN HB3 H 1 2.663 0.004 . 2 . . . . 126 ASN HB3 . 17290 1 1286 . 1 1 126 126 ASN C C 13 175.116 0.010 . 1 . . . . 126 ASN C . 17290 1 1287 . 1 1 126 126 ASN CA C 13 52.989 0.029 . 1 . . . . 126 ASN CA . 17290 1 1288 . 1 1 126 126 ASN CB C 13 38.898 0.023 . 1 . . . . 126 ASN CB . 17290 1 1289 . 1 1 126 126 ASN N N 15 120.607 0.036 . 1 . . . . 126 ASN N . 17290 1 1290 . 1 1 127 127 SER H H 1 8.243 0.005 . 1 . . . . 127 SER H . 17290 1 1291 . 1 1 127 127 SER HA H 1 4.409 0.005 . 1 . . . . 127 SER HA . 17290 1 1292 . 1 1 127 127 SER HB2 H 1 3.913 0.005 . 2 . . . . 127 SER HB2 . 17290 1 1293 . 1 1 127 127 SER HB3 H 1 3.818 0.005 . 2 . . . . 127 SER HB3 . 17290 1 1294 . 1 1 127 127 SER C C 13 174.999 0.018 . 1 . . . . 127 SER C . 17290 1 1295 . 1 1 127 127 SER CA C 13 58.687 0.059 . 1 . . . . 127 SER CA . 17290 1 1296 . 1 1 127 127 SER CB C 13 63.700 0.070 . 1 . . . . 127 SER CB . 17290 1 1297 . 1 1 127 127 SER N N 15 116.362 0.027 . 1 . . . . 127 SER N . 17290 1 1298 . 1 1 128 128 THR H H 1 8.138 0.006 . 1 . . . . 128 THR H . 17290 1 1299 . 1 1 128 128 THR HA H 1 4.322 0.004 . 1 . . . . 128 THR HA . 17290 1 1300 . 1 1 128 128 THR HB H 1 4.262 0.001 . 1 . . . . 128 THR HB . 17290 1 1301 . 1 1 128 128 THR HG21 H 1 1.197 0.002 . 1 . . . . 128 THR MG . 17290 1 1302 . 1 1 128 128 THR HG22 H 1 1.197 0.002 . 1 . . . . 128 THR MG . 17290 1 1303 . 1 1 128 128 THR HG23 H 1 1.197 0.002 . 1 . . . . 128 THR MG . 17290 1 1304 . 1 1 128 128 THR C C 13 175.113 0.014 . 1 . . . . 128 THR C . 17290 1 1305 . 1 1 128 128 THR CA C 13 62.269 0.047 . 1 . . . . 128 THR CA . 17290 1 1306 . 1 1 128 128 THR CB C 13 69.690 0.049 . 1 . . . . 128 THR CB . 17290 1 1307 . 1 1 128 128 THR CG2 C 13 21.604 0.000 . 1 . . . . 128 THR CG2 . 17290 1 1308 . 1 1 128 128 THR N N 15 114.769 0.023 . 1 . . . . 128 THR N . 17290 1 1309 . 1 1 129 129 GLY H H 1 8.283 0.004 . 1 . . . . 129 GLY H . 17290 1 1310 . 1 1 129 129 GLY HA2 H 1 3.912 0.005 . 2 . . . . 129 GLY HA2 . 17290 1 1311 . 1 1 129 129 GLY HA3 H 1 3.915 0.002 . 2 . . . . 129 GLY HA3 . 17290 1 1312 . 1 1 129 129 GLY C C 13 173.662 0.003 . 1 . . . . 129 GLY C . 17290 1 1313 . 1 1 129 129 GLY CA C 13 45.120 0.042 . 1 . . . . 129 GLY CA . 17290 1 1314 . 1 1 129 129 GLY N N 15 110.643 0.017 . 1 . . . . 129 GLY N . 17290 1 1315 . 1 1 130 130 LEU H H 1 8.006 0.004 . 1 . . . . 130 LEU H . 17290 1 1316 . 1 1 130 130 LEU HA H 1 4.568 0.006 . 1 . . . . 130 LEU HA . 17290 1 1317 . 1 1 130 130 LEU HB2 H 1 1.500 0.030 . 2 . . . . 130 LEU HB2 . 17290 1 1318 . 1 1 130 130 LEU HB3 H 1 1.530 0.000 . 2 . . . . 130 LEU HB3 . 17290 1 1319 . 1 1 130 130 LEU HG H 1 1.530 0.000 . 1 . . . . 130 LEU HG . 17290 1 1320 . 1 1 130 130 LEU HD11 H 1 0.888 0.000 . 1 . . . . 130 LEU MD1 . 17290 1 1321 . 1 1 130 130 LEU HD12 H 1 0.888 0.000 . 1 . . . . 130 LEU MD1 . 17290 1 1322 . 1 1 130 130 LEU HD13 H 1 0.888 0.000 . 1 . . . . 130 LEU MD1 . 17290 1 1323 . 1 1 130 130 LEU HD21 H 1 0.885 0.000 . 1 . . . . 130 LEU MD2 . 17290 1 1324 . 1 1 130 130 LEU HD22 H 1 0.885 0.000 . 1 . . . . 130 LEU MD2 . 17290 1 1325 . 1 1 130 130 LEU HD23 H 1 0.885 0.000 . 1 . . . . 130 LEU MD2 . 17290 1 1326 . 1 1 130 130 LEU C C 13 175.368 0.000 . 1 . . . . 130 LEU C . 17290 1 1327 . 1 1 130 130 LEU CA C 13 53.038 0.000 . 1 . . . . 130 LEU CA . 17290 1 1328 . 1 1 130 130 LEU CB C 13 41.671 0.009 . 1 . . . . 130 LEU CB . 17290 1 1329 . 1 1 130 130 LEU CD2 C 13 23.303 0.000 . 1 . . . . 130 LEU CD2 . 17290 1 1330 . 1 1 130 130 LEU N N 15 122.627 0.021 . 1 . . . . 130 LEU N . 17290 1 1331 . 1 1 131 131 PRO HA H 1 4.358 0.004 . 1 . . . . 131 PRO HA . 17290 1 1332 . 1 1 131 131 PRO HB2 H 1 2.207 0.000 . 2 . . . . 131 PRO HB2 . 17290 1 1333 . 1 1 131 131 PRO HB3 H 1 1.793 0.002 . 2 . . . . 131 PRO HB3 . 17290 1 1334 . 1 1 131 131 PRO HG2 H 1 1.969 0.000 . 2 . . . . 131 PRO HG2 . 17290 1 1335 . 1 1 131 131 PRO HG3 H 1 1.966 0.000 . 2 . . . . 131 PRO HG3 . 17290 1 1336 . 1 1 131 131 PRO HD2 H 1 3.800 0.000 . 2 . . . . 131 PRO HD2 . 17290 1 1337 . 1 1 131 131 PRO HD3 H 1 3.575 0.000 . 2 . . . . 131 PRO HD3 . 17290 1 1338 . 1 1 131 131 PRO C C 13 176.793 0.007 . 1 . . . . 131 PRO C . 17290 1 1339 . 1 1 131 131 PRO CA C 13 63.086 0.085 . 1 . . . . 131 PRO CA . 17290 1 1340 . 1 1 131 131 PRO CB C 13 31.978 0.052 . 1 . . . . 131 PRO CB . 17290 1 1341 . 1 1 131 131 PRO CG C 13 27.420 0.000 . 1 . . . . 131 PRO CG . 17290 1 1342 . 1 1 131 131 PRO CD C 13 50.447 0.000 . 1 . . . . 131 PRO CD . 17290 1 1343 . 1 1 132 132 HIS H H 1 8.472 0.007 . 1 . . . . 132 HIS H . 17290 1 1344 . 1 1 132 132 HIS HA H 1 4.642 0.031 . 1 . . . . 132 HIS HA . 17290 1 1345 . 1 1 132 132 HIS HB2 H 1 3.150 0.002 . 2 . . . . 132 HIS HB2 . 17290 1 1346 . 1 1 132 132 HIS HB3 H 1 3.141 0.007 . 2 . . . . 132 HIS HB3 . 17290 1 1347 . 1 1 132 132 HIS C C 13 174.965 0.023 . 1 . . . . 132 HIS C . 17290 1 1348 . 1 1 132 132 HIS CA C 13 55.623 0.003 . 1 . . . . 132 HIS CA . 17290 1 1349 . 1 1 132 132 HIS CB C 13 29.620 0.051 . 1 . . . . 132 HIS CB . 17290 1 1350 . 1 1 132 132 HIS N N 15 118.770 0.022 . 1 . . . . 132 HIS N . 17290 1 1351 . 1 1 133 133 SER H H 1 8.288 0.012 . 1 . . . . 133 SER H . 17290 1 1352 . 1 1 133 133 SER HA H 1 4.385 0.000 . 1 . . . . 133 SER HA . 17290 1 1353 . 1 1 133 133 SER C C 13 174.368 0.000 . 1 . . . . 133 SER C . 17290 1 1354 . 1 1 133 133 SER CA C 13 58.365 0.011 . 1 . . . . 133 SER CA . 17290 1 1355 . 1 1 133 133 SER CB C 13 63.812 0.000 . 1 . . . . 133 SER CB . 17290 1 1356 . 1 1 133 133 SER N N 15 116.681 0.034 . 1 . . . . 133 SER N . 17290 1 1357 . 1 1 135 135 SER HA H 1 4.506 0.002 . 1 . . . . 135 SER HA . 17290 1 1358 . 1 1 135 135 SER HB2 H 1 3.855 0.000 . 2 . . . . 135 SER HB2 . 17290 1 1359 . 1 1 135 135 SER HB3 H 1 3.827 0.000 . 2 . . . . 135 SER HB3 . 17290 1 1360 . 1 1 135 135 SER C C 13 174.734 0.013 . 1 . . . . 135 SER C . 17290 1 1361 . 1 1 135 135 SER CA C 13 58.323 0.034 . 1 . . . . 135 SER CA . 17290 1 1362 . 1 1 135 135 SER CB C 13 63.812 0.043 . 1 . . . . 135 SER CB . 17290 1 1363 . 1 1 136 136 THR H H 1 8.322 0.006 . 1 . . . . 136 THR H . 17290 1 1364 . 1 1 136 136 THR HA H 1 4.415 0.005 . 1 . . . . 136 THR HA . 17290 1 1365 . 1 1 136 136 THR HB H 1 4.276 0.008 . 1 . . . . 136 THR HB . 17290 1 1366 . 1 1 136 136 THR HG21 H 1 1.196 0.004 . 1 . . . . 136 THR MG . 17290 1 1367 . 1 1 136 136 THR HG22 H 1 1.196 0.004 . 1 . . . . 136 THR MG . 17290 1 1368 . 1 1 136 136 THR HG23 H 1 1.196 0.004 . 1 . . . . 136 THR MG . 17290 1 1369 . 1 1 136 136 THR C C 13 174.623 0.016 . 1 . . . . 136 THR C . 17290 1 1370 . 1 1 136 136 THR CA C 13 61.891 0.062 . 1 . . . . 136 THR CA . 17290 1 1371 . 1 1 136 136 THR CB C 13 69.658 0.051 . 1 . . . . 136 THR CB . 17290 1 1372 . 1 1 136 136 THR CG2 C 13 21.644 0.000 . 1 . . . . 136 THR CG2 . 17290 1 1373 . 1 1 136 136 THR N N 15 115.990 0.017 . 1 . . . . 136 THR N . 17290 1 1374 . 1 1 137 137 THR H H 1 8.157 0.004 . 1 . . . . 137 THR H . 17290 1 1375 . 1 1 137 137 THR HA H 1 4.313 0.006 . 1 . . . . 137 THR HA . 17290 1 1376 . 1 1 137 137 THR HB H 1 4.160 0.004 . 1 . . . . 137 THR HB . 17290 1 1377 . 1 1 137 137 THR HG21 H 1 1.174 0.002 . 1 . . . . 137 THR MG . 17290 1 1378 . 1 1 137 137 THR HG22 H 1 1.174 0.002 . 1 . . . . 137 THR MG . 17290 1 1379 . 1 1 137 137 THR HG23 H 1 1.174 0.002 . 1 . . . . 137 THR MG . 17290 1 1380 . 1 1 137 137 THR C C 13 174.109 0.006 . 1 . . . . 137 THR C . 17290 1 1381 . 1 1 137 137 THR CA C 13 62.010 0.034 . 1 . . . . 137 THR CA . 17290 1 1382 . 1 1 137 137 THR CB C 13 69.788 0.040 . 1 . . . . 137 THR CB . 17290 1 1383 . 1 1 137 137 THR CG2 C 13 21.720 0.038 . 1 . . . . 137 THR CG2 . 17290 1 1384 . 1 1 137 137 THR N N 15 117.041 0.023 . 1 . . . . 137 THR N . 17290 1 1385 . 1 1 138 138 ARG H H 1 8.372 0.005 . 1 . . . . 138 ARG H . 17290 1 1386 . 1 1 138 138 ARG HA H 1 4.381 0.004 . 1 . . . . 138 ARG HA . 17290 1 1387 . 1 1 138 138 ARG HB2 H 1 1.848 0.004 . 2 . . . . 138 ARG HB2 . 17290 1 1388 . 1 1 138 138 ARG HB3 H 1 1.738 0.003 . 2 . . . . 138 ARG HB3 . 17290 1 1389 . 1 1 138 138 ARG HG2 H 1 1.605 0.002 . 2 . . . . 138 ARG HG2 . 17290 1 1390 . 1 1 138 138 ARG HG3 H 1 1.602 0.001 . 2 . . . . 138 ARG HG3 . 17290 1 1391 . 1 1 138 138 ARG HD2 H 1 3.171 0.004 . 2 . . . . 138 ARG HD2 . 17290 1 1392 . 1 1 138 138 ARG HD3 H 1 3.165 0.002 . 2 . . . . 138 ARG HD3 . 17290 1 1393 . 1 1 138 138 ARG C C 13 175.174 0.016 . 1 . . . . 138 ARG C . 17290 1 1394 . 1 1 138 138 ARG CA C 13 56.182 0.042 . 1 . . . . 138 ARG CA . 17290 1 1395 . 1 1 138 138 ARG CB C 13 30.860 0.049 . 1 . . . . 138 ARG CB . 17290 1 1396 . 1 1 138 138 ARG CG C 13 27.000 0.000 . 1 . . . . 138 ARG CG . 17290 1 1397 . 1 1 138 138 ARG CD C 13 43.296 0.000 . 1 . . . . 138 ARG CD . 17290 1 1398 . 1 1 138 138 ARG N N 15 124.885 0.018 . 1 . . . . 138 ARG N . 17290 1 1399 . 1 1 139 139 VAL H H 1 7.788 0.005 . 1 . . . . 139 VAL H . 17290 1 1400 . 1 1 139 139 VAL HA H 1 4.014 0.004 . 1 . . . . 139 VAL HA . 17290 1 1401 . 1 1 139 139 VAL HB H 1 2.050 0.002 . 1 . . . . 139 VAL HB . 17290 1 1402 . 1 1 139 139 VAL HG11 H 1 0.871 0.001 . 1 . . . . 139 VAL MG1 . 17290 1 1403 . 1 1 139 139 VAL HG12 H 1 0.871 0.001 . 1 . . . . 139 VAL MG1 . 17290 1 1404 . 1 1 139 139 VAL HG13 H 1 0.871 0.001 . 1 . . . . 139 VAL MG1 . 17290 1 1405 . 1 1 139 139 VAL HG21 H 1 0.860 0.012 . 1 . . . . 139 VAL MG2 . 17290 1 1406 . 1 1 139 139 VAL HG22 H 1 0.860 0.012 . 1 . . . . 139 VAL MG2 . 17290 1 1407 . 1 1 139 139 VAL HG23 H 1 0.860 0.012 . 1 . . . . 139 VAL MG2 . 17290 1 1408 . 1 1 139 139 VAL C C 13 180.974 0.000 . 1 . . . . 139 VAL C . 17290 1 1409 . 1 1 139 139 VAL CA C 13 63.686 0.012 . 1 . . . . 139 VAL CA . 17290 1 1410 . 1 1 139 139 VAL CB C 13 33.165 0.047 . 1 . . . . 139 VAL CB . 17290 1 1411 . 1 1 139 139 VAL CG1 C 13 21.588 0.000 . 1 . . . . 139 VAL CG1 . 17290 1 1412 . 1 1 139 139 VAL CG2 C 13 20.094 0.000 . 1 . . . . 139 VAL CG2 . 17290 1 1413 . 1 1 139 139 VAL N N 15 125.923 0.027 . 1 . . . . 139 VAL N . 17290 1 stop_ save_