data_16009 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16009 _Entry.Title ; NMR resonance assignment of DnaE intein from Nostoc punctiforme ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-29 _Entry.Accession_date 2008-10-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'NMR resonance assignment of DnaE intein from Nostoc punctiforme' _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 Kimmo Heinamaki . . . 16009 2 Janica Djupsjobacka . . . 16009 3 Jesper Oemig . S. . 16009 4 Hideo Iwai . . . 16009 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Insitute of Biotechnology' . 16009 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16009 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 611 16009 '15N chemical shifts' 146 16009 '1H chemical shifts' 969 16009 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 . . 2009-08-20 2008-10-29 update BMRB 'added PubMed ID' 16009 2 . . 2009-05-22 2008-10-29 update BMRB 'complete entry citation' 16009 1 . . 2009-01-15 2008-10-29 original author 'original release' 16009 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16009 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636943 _Citation.Full_citation . _Citation.Title 'NMR resonance assignment of DnaE intein from Nostoc punctiforme' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 3 _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 41 _Citation.Page_last 43 _Citation.Year 2009 _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 Kimmo Heinamaki . . . 16009 1 2 Jesper Oeemig . S. . 16009 1 3 Janica Djupsjobacka . . . 16009 1 4 Hideo Iwai . . . 16009 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID intein 16009 1 'protein splicing' 16009 1 'protein trans-splicing' 16009 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 16009 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16516207 _Citation.Full_citation . _Citation.Title 'Highly efficient protein trans-splicing by a naturally split DnaE intein from Nostoc punctiforme.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 580 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1853 _Citation.Page_last 1858 _Citation.Year 2006 _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 Hideo Iwai . . . 16009 2 2 Sara Zuger . . . 16009 2 3 Jennifer Jin . . . 16009 2 4 Pui-Hang Tam . . . 16009 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID intein 16009 2 'protein splicing' 16009 2 'protein trans-splicing' 16009 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16009 _Assembly.ID 1 _Assembly.Name 'NpuDnaE intein' _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 'single chain intein' 1 $intein_polypeptide A . yes native no no . . . 16009 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_intein_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode intein_polypeptide _Entity.Entry_ID 16009 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name intein_polypeptide _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 ; GGALSYETEILTVEYGLLPI GKIVEKRIECTVYSVDNNGN IYTQPVAQWHDRGEQEVFEY CLEDGSLIRATKDHKFMTVD GQMLPIDEIFERELDLMRVD NLPNIKIATRKYLGKQNVYD IGVERDHNFALKNGFIASN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 1 -1 GLY 2 0 GLY 3 1 ALA ... 137 135 ALA 138 136 SER 139 137 ASN ; _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 C1A _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KEQ . "Solution Structure Of Dnae Intein From Nostoc Punctiforme" . . . . . 100.00 139 100.00 100.00 2.69e-97 . . . . 16009 1 2 no PDB 4KL5 . "Crystal Structure Of Npudnae Intein" . . . . . 100.00 144 100.00 100.00 1.94e-97 . . . . 16009 1 3 no PDB 4QFQ . "Crystal Structure Of Natvie Npu Dnae Split Intein" . . . . . 74.82 111 97.12 99.04 1.01e-67 . . . . 16009 1 4 no GB ACC83218 . "DNA polymerase III, alpha subunit [Nostoc punctiforme PCC 73102]" . . . . . 73.38 876 99.02 99.02 6.84e-62 . . . . 16009 1 5 no GB ADG44968 . "A-IntN [Expression vector pEBDuet23A]" . . . . . 72.66 483 100.00 100.00 1.39e-64 . . . . 16009 1 6 no GB ADG44969 . "H6-A-IntN [Expression vector pEBDuet28A]" . . . . . 72.66 500 100.00 100.00 2.79e-64 . . . . 16009 1 7 no GB AIS22787 . "UmuD-T7 RNA polymerase(1-514)-NpuN [synthetic vector pCOLA-AraC-pBAD-SspC-T7_RNAP(515-884)-UmuD-T7RNAP(1-514)-NpuN]" . . . . . 72.66 654 99.01 99.01 6.47e-62 . . . . 16009 1 8 no GB AIS22800 . "UmuD-T7 RNA polymerase(1-514)-NpuN [synthetic vector pCOLA-AraC-pBAD-UmuD-T7_RNAP(1-514)-NpuN]" . . . . . 72.66 654 99.01 99.01 6.47e-62 . . . . 16009 1 9 no REF WP_012411174 . "DNA polymerase III subunit alpha [Nostoc punctiforme]" . . . . . 73.38 876 99.02 99.02 6.84e-62 . . . . 16009 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID intein 16009 1 'protein splicing domain' 16009 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 GLY . 16009 1 2 0 GLY . 16009 1 3 1 ALA . 16009 1 4 2 LEU . 16009 1 5 3 SER . 16009 1 6 4 TYR . 16009 1 7 5 GLU . 16009 1 8 6 THR . 16009 1 9 7 GLU . 16009 1 10 8 ILE . 16009 1 11 9 LEU . 16009 1 12 10 THR . 16009 1 13 11 VAL . 16009 1 14 12 GLU . 16009 1 15 13 TYR . 16009 1 16 14 GLY . 16009 1 17 15 LEU . 16009 1 18 16 LEU . 16009 1 19 17 PRO . 16009 1 20 18 ILE . 16009 1 21 19 GLY . 16009 1 22 20 LYS . 16009 1 23 21 ILE . 16009 1 24 22 VAL . 16009 1 25 23 GLU . 16009 1 26 24 LYS . 16009 1 27 25 ARG . 16009 1 28 26 ILE . 16009 1 29 27 GLU . 16009 1 30 28 CYS . 16009 1 31 29 THR . 16009 1 32 30 VAL . 16009 1 33 31 TYR . 16009 1 34 32 SER . 16009 1 35 33 VAL . 16009 1 36 34 ASP . 16009 1 37 35 ASN . 16009 1 38 36 ASN . 16009 1 39 37 GLY . 16009 1 40 38 ASN . 16009 1 41 39 ILE . 16009 1 42 40 TYR . 16009 1 43 41 THR . 16009 1 44 42 GLN . 16009 1 45 43 PRO . 16009 1 46 44 VAL . 16009 1 47 45 ALA . 16009 1 48 46 GLN . 16009 1 49 47 TRP . 16009 1 50 48 HIS . 16009 1 51 49 ASP . 16009 1 52 50 ARG . 16009 1 53 51 GLY . 16009 1 54 52 GLU . 16009 1 55 53 GLN . 16009 1 56 54 GLU . 16009 1 57 55 VAL . 16009 1 58 56 PHE . 16009 1 59 57 GLU . 16009 1 60 58 TYR . 16009 1 61 59 CYS . 16009 1 62 60 LEU . 16009 1 63 61 GLU . 16009 1 64 62 ASP . 16009 1 65 63 GLY . 16009 1 66 64 SER . 16009 1 67 65 LEU . 16009 1 68 66 ILE . 16009 1 69 67 ARG . 16009 1 70 68 ALA . 16009 1 71 69 THR . 16009 1 72 70 LYS . 16009 1 73 71 ASP . 16009 1 74 72 HIS . 16009 1 75 73 LYS . 16009 1 76 74 PHE . 16009 1 77 75 MET . 16009 1 78 76 THR . 16009 1 79 77 VAL . 16009 1 80 78 ASP . 16009 1 81 79 GLY . 16009 1 82 80 GLN . 16009 1 83 81 MET . 16009 1 84 82 LEU . 16009 1 85 83 PRO . 16009 1 86 84 ILE . 16009 1 87 85 ASP . 16009 1 88 86 GLU . 16009 1 89 87 ILE . 16009 1 90 88 PHE . 16009 1 91 89 GLU . 16009 1 92 90 ARG . 16009 1 93 91 GLU . 16009 1 94 92 LEU . 16009 1 95 93 ASP . 16009 1 96 94 LEU . 16009 1 97 95 MET . 16009 1 98 96 ARG . 16009 1 99 97 VAL . 16009 1 100 98 ASP . 16009 1 101 99 ASN . 16009 1 102 100 LEU . 16009 1 103 101 PRO . 16009 1 104 102 ASN . 16009 1 105 103 ILE . 16009 1 106 104 LYS . 16009 1 107 105 ILE . 16009 1 108 106 ALA . 16009 1 109 107 THR . 16009 1 110 108 ARG . 16009 1 111 109 LYS . 16009 1 112 110 TYR . 16009 1 113 111 LEU . 16009 1 114 112 GLY . 16009 1 115 113 LYS . 16009 1 116 114 GLN . 16009 1 117 115 ASN . 16009 1 118 116 VAL . 16009 1 119 117 TYR . 16009 1 120 118 ASP . 16009 1 121 119 ILE . 16009 1 122 120 GLY . 16009 1 123 121 VAL . 16009 1 124 122 GLU . 16009 1 125 123 ARG . 16009 1 126 124 ASP . 16009 1 127 125 HIS . 16009 1 128 126 ASN . 16009 1 129 127 PHE . 16009 1 130 128 ALA . 16009 1 131 129 LEU . 16009 1 132 130 LYS . 16009 1 133 131 ASN . 16009 1 134 132 GLY . 16009 1 135 133 PHE . 16009 1 136 134 ILE . 16009 1 137 135 ALA . 16009 1 138 136 SER . 16009 1 139 137 ASN . 16009 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16009 1 . GLY 2 2 16009 1 . ALA 3 3 16009 1 . LEU 4 4 16009 1 . SER 5 5 16009 1 . TYR 6 6 16009 1 . GLU 7 7 16009 1 . THR 8 8 16009 1 . GLU 9 9 16009 1 . ILE 10 10 16009 1 . LEU 11 11 16009 1 . THR 12 12 16009 1 . VAL 13 13 16009 1 . GLU 14 14 16009 1 . TYR 15 15 16009 1 . GLY 16 16 16009 1 . LEU 17 17 16009 1 . LEU 18 18 16009 1 . PRO 19 19 16009 1 . ILE 20 20 16009 1 . GLY 21 21 16009 1 . LYS 22 22 16009 1 . ILE 23 23 16009 1 . VAL 24 24 16009 1 . GLU 25 25 16009 1 . LYS 26 26 16009 1 . ARG 27 27 16009 1 . ILE 28 28 16009 1 . GLU 29 29 16009 1 . CYS 30 30 16009 1 . THR 31 31 16009 1 . VAL 32 32 16009 1 . TYR 33 33 16009 1 . SER 34 34 16009 1 . VAL 35 35 16009 1 . ASP 36 36 16009 1 . ASN 37 37 16009 1 . ASN 38 38 16009 1 . GLY 39 39 16009 1 . ASN 40 40 16009 1 . ILE 41 41 16009 1 . TYR 42 42 16009 1 . THR 43 43 16009 1 . GLN 44 44 16009 1 . PRO 45 45 16009 1 . VAL 46 46 16009 1 . ALA 47 47 16009 1 . GLN 48 48 16009 1 . TRP 49 49 16009 1 . HIS 50 50 16009 1 . ASP 51 51 16009 1 . ARG 52 52 16009 1 . GLY 53 53 16009 1 . GLU 54 54 16009 1 . GLN 55 55 16009 1 . GLU 56 56 16009 1 . VAL 57 57 16009 1 . PHE 58 58 16009 1 . GLU 59 59 16009 1 . TYR 60 60 16009 1 . CYS 61 61 16009 1 . LEU 62 62 16009 1 . GLU 63 63 16009 1 . ASP 64 64 16009 1 . GLY 65 65 16009 1 . SER 66 66 16009 1 . LEU 67 67 16009 1 . ILE 68 68 16009 1 . ARG 69 69 16009 1 . ALA 70 70 16009 1 . THR 71 71 16009 1 . LYS 72 72 16009 1 . ASP 73 73 16009 1 . HIS 74 74 16009 1 . LYS 75 75 16009 1 . PHE 76 76 16009 1 . MET 77 77 16009 1 . THR 78 78 16009 1 . VAL 79 79 16009 1 . ASP 80 80 16009 1 . GLY 81 81 16009 1 . GLN 82 82 16009 1 . MET 83 83 16009 1 . LEU 84 84 16009 1 . PRO 85 85 16009 1 . ILE 86 86 16009 1 . ASP 87 87 16009 1 . GLU 88 88 16009 1 . ILE 89 89 16009 1 . PHE 90 90 16009 1 . GLU 91 91 16009 1 . ARG 92 92 16009 1 . GLU 93 93 16009 1 . LEU 94 94 16009 1 . ASP 95 95 16009 1 . LEU 96 96 16009 1 . MET 97 97 16009 1 . ARG 98 98 16009 1 . VAL 99 99 16009 1 . ASP 100 100 16009 1 . ASN 101 101 16009 1 . LEU 102 102 16009 1 . PRO 103 103 16009 1 . ASN 104 104 16009 1 . ILE 105 105 16009 1 . LYS 106 106 16009 1 . ILE 107 107 16009 1 . ALA 108 108 16009 1 . THR 109 109 16009 1 . ARG 110 110 16009 1 . LYS 111 111 16009 1 . TYR 112 112 16009 1 . LEU 113 113 16009 1 . GLY 114 114 16009 1 . LYS 115 115 16009 1 . GLN 116 116 16009 1 . ASN 117 117 16009 1 . VAL 118 118 16009 1 . TYR 119 119 16009 1 . ASP 120 120 16009 1 . ILE 121 121 16009 1 . GLY 122 122 16009 1 . VAL 123 123 16009 1 . GLU 124 124 16009 1 . ARG 125 125 16009 1 . ASP 126 126 16009 1 . HIS 127 127 16009 1 . ASN 128 128 16009 1 . PHE 129 129 16009 1 . ALA 130 130 16009 1 . LEU 131 131 16009 1 . LYS 132 132 16009 1 . ASN 133 133 16009 1 . GLY 134 134 16009 1 . PHE 135 135 16009 1 . ILE 136 136 16009 1 . ALA 137 137 16009 1 . SER 138 138 16009 1 . ASN 139 139 16009 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 16009 _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 $intein_polypeptide . 272131 organism . 'Nostoc punctiforme' cyanobacterium . . Bacteria . Nostoc 'Nostoc punctiforme' 'Nostoc punctiforme' 'PCC 73102' . . . . . . . . . . . . . . DnaE . 'intein fragments in DNA polymerase III, alpha subunit.' . . 16009 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 16009 _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 $intein_polypeptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli ER2566 . . . . . . . . . . . . 'pRSF vector' . . pHYRSF53 . . . . . . 16009 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16009 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 intein_polypeptide '[U-100% 13C; U-100% 15N]' . . 1 $intein_polypeptide . . 2 . . mM . . . . 16009 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 16009 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16009 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 intein_polypeptide '[U-20% 13C; U-100% 15N]' . . 1 $intein_polypeptide . . 2 . . mM . . . . 16009 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 16009 2 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 16009 _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 6.0 . pH 16009 1 pressure 1 . atm 16009 1 temperature 298 . K 16009 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16009 _Software.ID 1 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16009 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16009 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 16009 _Software.ID 2 _Software.Name Analysis _Software.Version 1.0.19 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . http://www.ccpn.ac.uk/ccpn 16009 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16009 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16009 _Software.ID 3 _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' . . 16009 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16009 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16009 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16009 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Equipped with a triple resonance cryoprobe' _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 16009 _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 . 800 . . . 16009 1 2 spectrometer_2 Varian INOVA . 600 'Equipped with a triple resonance cryoprobe' . . 16009 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 16009 _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 . . . . . . . . . . . . . . . . . . . . . 16009 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16009 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16009 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16009 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16009 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16009 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16009 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16009 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16009 1 10 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16009 1 11 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16009 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16009 1 13 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16009 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16009 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16009 1 16 CCCONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16009 1 17 HCC no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16009 1 18 CBCGCDHD no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16009 1 19 CBCGCDHDHE no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16009 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 16009 _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 . indirect 0.251449530 . . . . . . . . . 16009 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16009 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16009 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 16009 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; Data includes stereospecific assignments of diastereoscopic methyl groups in leucines and valines. When possible, HB;-atoms were stereospecifically assigned with 15N-1HB; coupling constant and HN-HB;, HA;-HB; NOEs. ; _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' . . . 16009 1 2 '2D 1H-13C HSQC' . . . 16009 1 3 '3D HNCO' . . . 16009 1 4 '3D HN(CO)CA' . . . 16009 1 5 '3D HNCA' . . . 16009 1 6 '3D HNCACB' . . . 16009 1 7 '3D HBHA(CO)NH' . . . 16009 1 8 '3D HCCH-TOCSY' . . . 16009 1 9 '3D CBCA(CO)NH' . . . 16009 1 10 '3D HNHA' . . . 16009 1 11 '3D HCCH-COSY' . . . 16009 1 12 '3D 1H-15N TOCSY' . . . 16009 1 13 '3D HNHB' . . . 16009 1 16 CCCONH . . . 16009 1 17 HCC . . . 16009 1 18 CBCGCDHD . . . 16009 1 19 CBCGCDHDHE . . . 16009 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.836 0.004 . 2 . . . . -1 GLY HA2 . 16009 1 2 . 1 1 1 1 GLY HA3 H 1 4.011 0.006 . 2 . . . . -1 GLY HA3 . 16009 1 3 . 1 1 1 1 GLY C C 13 173.56 0.019 . 1 . . . . -1 GLY C . 16009 1 4 . 1 1 1 1 GLY CA C 13 44.872 0.031 . 1 . . . . -1 GLY CA . 16009 1 5 . 1 1 2 2 GLY H H 1 8.06 0.006 . 1 . . . . 0 GLY H . 16009 1 6 . 1 1 2 2 GLY HA2 H 1 3.368 0.005 . 2 . . . . 0 GLY HA2 . 16009 1 7 . 1 1 2 2 GLY HA3 H 1 3.857 0.006 . 2 . . . . 0 GLY HA3 . 16009 1 8 . 1 1 2 2 GLY C C 13 173.034 0.019 . 1 . . . . 0 GLY C . 16009 1 9 . 1 1 2 2 GLY CA C 13 45.396 0.037 . 1 . . . . 0 GLY CA . 16009 1 10 . 1 1 2 2 GLY N N 15 108.102 0.033 . 1 . . . . 0 GLY N . 16009 1 11 . 1 1 3 3 ALA H H 1 9.184 0.005 . 1 . . . . 1 ALA H . 16009 1 12 . 1 1 3 3 ALA HA H 1 4.907 0.006 . 1 . . . . 1 ALA HA . 16009 1 13 . 1 1 3 3 ALA HB1 H 1 1.435 0.007 . 1 . . . . 1 ALA HB1 . 16009 1 14 . 1 1 3 3 ALA HB2 H 1 1.435 0.007 . 1 . . . . 1 ALA HB2 . 16009 1 15 . 1 1 3 3 ALA HB3 H 1 1.435 0.007 . 1 . . . . 1 ALA HB3 . 16009 1 16 . 1 1 3 3 ALA C C 13 173.904 0.019 . 1 . . . . 1 ALA C . 16009 1 17 . 1 1 3 3 ALA CA C 13 52.528 0.036 . 1 . . . . 1 ALA CA . 16009 1 18 . 1 1 3 3 ALA CB C 13 24.086 0.063 . 1 . . . . 1 ALA CB . 16009 1 19 . 1 1 3 3 ALA N N 15 122.223 0.018 . 1 . . . . 1 ALA N . 16009 1 20 . 1 1 4 4 LEU H H 1 9.85 0.005 . 1 . . . . 2 LEU H . 16009 1 21 . 1 1 4 4 LEU HA H 1 5.266 0.009 . 1 . . . . 2 LEU HA . 16009 1 22 . 1 1 4 4 LEU HB2 H 1 1.961 0.016 . 2 . . . . 2 LEU HB2 . 16009 1 23 . 1 1 4 4 LEU HB3 H 1 2.073 0.006 . 2 . . . . 2 LEU HB3 . 16009 1 24 . 1 1 4 4 LEU HD11 H 1 0.982 0.002 . 1 . . . . 2 LEU HD11 . 16009 1 25 . 1 1 4 4 LEU HD12 H 1 0.982 0.002 . 1 . . . . 2 LEU HD12 . 16009 1 26 . 1 1 4 4 LEU HD13 H 1 0.982 0.002 . 1 . . . . 2 LEU HD13 . 16009 1 27 . 1 1 4 4 LEU HD21 H 1 0.908 0.006 . 1 . . . . 2 LEU HD21 . 16009 1 28 . 1 1 4 4 LEU HD22 H 1 0.908 0.006 . 1 . . . . 2 LEU HD22 . 16009 1 29 . 1 1 4 4 LEU HD23 H 1 0.908 0.006 . 1 . . . . 2 LEU HD23 . 16009 1 30 . 1 1 4 4 LEU HG H 1 1.57 0.01 . 1 . . . . 2 LEU HG . 16009 1 31 . 1 1 4 4 LEU C C 13 176.251 0.017 . 1 . . . . 2 LEU C . 16009 1 32 . 1 1 4 4 LEU CA C 13 53.722 0.027 . 1 . . . . 2 LEU CA . 16009 1 33 . 1 1 4 4 LEU CB C 13 45.458 0.037 . 1 . . . . 2 LEU CB . 16009 1 34 . 1 1 4 4 LEU CD1 C 13 25.999 0.063 . 1 . . . . 2 LEU CD1 . 16009 1 35 . 1 1 4 4 LEU CD2 C 13 23.206 0.047 . 1 . . . . 2 LEU CD2 . 16009 1 36 . 1 1 4 4 LEU CG C 13 27.376 0.055 . 1 . . . . 2 LEU CG . 16009 1 37 . 1 1 4 4 LEU N N 15 119.406 0.028 . 1 . . . . 2 LEU N . 16009 1 38 . 1 1 5 5 SER H H 1 7.899 0.005 . 1 . . . . 3 SER H . 16009 1 39 . 1 1 5 5 SER HA H 1 4.652 0.007 . 1 . . . . 3 SER HA . 16009 1 40 . 1 1 5 5 SER HB2 H 1 3.745 0.006 . 2 . . . . 3 SER HB2 . 16009 1 41 . 1 1 5 5 SER HB3 H 1 4.335 0.004 . 2 . . . . 3 SER HB3 . 16009 1 42 . 1 1 5 5 SER C C 13 174.661 0.013 . 1 . . . . 3 SER C . 16009 1 43 . 1 1 5 5 SER CA C 13 59.447 0.028 . 1 . . . . 3 SER CA . 16009 1 44 . 1 1 5 5 SER CB C 13 64.053 0.037 . 1 . . . . 3 SER CB . 16009 1 45 . 1 1 5 5 SER N N 15 114.469 0.036 . 1 . . . . 3 SER N . 16009 1 46 . 1 1 6 6 TYR H H 1 9.556 0.006 . 1 . . . . 4 TYR H . 16009 1 47 . 1 1 6 6 TYR HA H 1 3.5 0.006 . 1 . . . . 4 TYR HA . 16009 1 48 . 1 1 6 6 TYR HB2 H 1 3.38 0.003 . 1 . . . . 4 TYR HB2 . 16009 1 49 . 1 1 6 6 TYR HB3 H 1 3.217 0.004 . 1 . . . . 4 TYR HB3 . 16009 1 50 . 1 1 6 6 TYR HD1 H 1 7.048 0.002 . 3 . . . . 4 TYR HD1 . 16009 1 51 . 1 1 6 6 TYR HD2 H 1 7.048 0.002 . 3 . . . . 4 TYR HD2 . 16009 1 52 . 1 1 6 6 TYR HE1 H 1 6.557 0.002 . 3 . . . . 4 TYR HE1 . 16009 1 53 . 1 1 6 6 TYR HE2 H 1 6.557 0.002 . 3 . . . . 4 TYR HE2 . 16009 1 54 . 1 1 6 6 TYR C C 13 175.868 0.014 . 1 . . . . 4 TYR C . 16009 1 55 . 1 1 6 6 TYR CA C 13 62.361 0.028 . 1 . . . . 4 TYR CA . 16009 1 56 . 1 1 6 6 TYR CB C 13 40.48 0.024 . 1 . . . . 4 TYR CB . 16009 1 57 . 1 1 6 6 TYR CE1 C 13 117.257 0.022 . 3 . . . . 4 TYR CE1 . 16009 1 58 . 1 1 6 6 TYR CE2 C 13 117.257 0.022 . 3 . . . . 4 TYR CE2 . 16009 1 59 . 1 1 6 6 TYR N N 15 120.905 0.028 . 1 . . . . 4 TYR N . 16009 1 60 . 1 1 7 7 GLU H H 1 9.198 0.004 . 1 . . . . 5 GLU H . 16009 1 61 . 1 1 7 7 GLU HA H 1 4.44 0.007 . 1 . . . . 5 GLU HA . 16009 1 62 . 1 1 7 7 GLU HB2 H 1 2.262 0.001 . 2 . . . . 5 GLU HB2 . 16009 1 63 . 1 1 7 7 GLU HB3 H 1 2.312 0.009 . 2 . . . . 5 GLU HB3 . 16009 1 64 . 1 1 7 7 GLU HG2 H 1 2.343 0 . 2 . . . . 5 GLU HG2 . 16009 1 65 . 1 1 7 7 GLU HG3 H 1 2.455 0.003 . 2 . . . . 5 GLU HG3 . 16009 1 66 . 1 1 7 7 GLU C C 13 176.164 0.052 . 1 . . . . 5 GLU C . 16009 1 67 . 1 1 7 7 GLU CA C 13 56.778 0.045 . 1 . . . . 5 GLU CA . 16009 1 68 . 1 1 7 7 GLU CB C 13 28.293 0.055 . 1 . . . . 5 GLU CB . 16009 1 69 . 1 1 7 7 GLU CG C 13 35.696 0.022 . 1 . . . . 5 GLU CG . 16009 1 70 . 1 1 7 7 GLU N N 15 111.898 0.038 . 1 . . . . 5 GLU N . 16009 1 71 . 1 1 8 8 THR H H 1 8.03 0.005 . 1 . . . . 6 THR H . 16009 1 72 . 1 1 8 8 THR HA H 1 4.064 0.006 . 1 . . . . 6 THR HA . 16009 1 73 . 1 1 8 8 THR HB H 1 4.45 0.005 . 1 . . . . 6 THR HB . 16009 1 74 . 1 1 8 8 THR HG21 H 1 1.477 0.007 . 1 . . . . 6 THR HG21 . 16009 1 75 . 1 1 8 8 THR HG22 H 1 1.477 0.007 . 1 . . . . 6 THR HG22 . 16009 1 76 . 1 1 8 8 THR HG23 H 1 1.477 0.007 . 1 . . . . 6 THR HG23 . 16009 1 77 . 1 1 8 8 THR C C 13 173.767 0.011 . 1 . . . . 6 THR C . 16009 1 78 . 1 1 8 8 THR CA C 13 65.318 0.032 . 1 . . . . 6 THR CA . 16009 1 79 . 1 1 8 8 THR CB C 13 68.641 0.068 . 1 . . . . 6 THR CB . 16009 1 80 . 1 1 8 8 THR CG2 C 13 22.165 0.094 . 1 . . . . 6 THR CG2 . 16009 1 81 . 1 1 8 8 THR N N 15 121.393 0.036 . 1 . . . . 6 THR N . 16009 1 82 . 1 1 9 9 GLU H H 1 9.271 0.009 . 1 . . . . 7 GLU H . 16009 1 83 . 1 1 9 9 GLU HA H 1 4.541 0.006 . 1 . . . . 7 GLU HA . 16009 1 84 . 1 1 9 9 GLU HB2 H 1 2.107 0.031 . 1 . . . . 7 GLU HB2 . 16009 1 85 . 1 1 9 9 GLU HB3 H 1 1.771 0.007 . 1 . . . . 7 GLU HB3 . 16009 1 86 . 1 1 9 9 GLU HG2 H 1 1.774 0.004 . 2 . . . . 7 GLU HG2 . 16009 1 87 . 1 1 9 9 GLU HG3 H 1 2.667 0.003 . 2 . . . . 7 GLU HG3 . 16009 1 88 . 1 1 9 9 GLU C C 13 174.69 0.033 . 1 . . . . 7 GLU C . 16009 1 89 . 1 1 9 9 GLU CA C 13 56.694 0.07 . 1 . . . . 7 GLU CA . 16009 1 90 . 1 1 9 9 GLU CB C 13 31.755 0.081 . 1 . . . . 7 GLU CB . 16009 1 91 . 1 1 9 9 GLU CG C 13 37.469 0.042 . 1 . . . . 7 GLU CG . 16009 1 92 . 1 1 9 9 GLU N N 15 130.051 0.039 . 1 . . . . 7 GLU N . 16009 1 93 . 1 1 10 10 ILE H H 1 8.913 0.006 . 1 . . . . 8 ILE H . 16009 1 94 . 1 1 10 10 ILE HA H 1 4.414 0.006 . 1 . . . . 8 ILE HA . 16009 1 95 . 1 1 10 10 ILE HB H 1 1.929 0.005 . 1 . . . . 8 ILE HB . 16009 1 96 . 1 1 10 10 ILE HD11 H 1 0.705 0.004 . 1 . . . . 8 ILE HD11 . 16009 1 97 . 1 1 10 10 ILE HD12 H 1 0.705 0.004 . 1 . . . . 8 ILE HD12 . 16009 1 98 . 1 1 10 10 ILE HD13 H 1 0.705 0.004 . 1 . . . . 8 ILE HD13 . 16009 1 99 . 1 1 10 10 ILE HG12 H 1 1.207 0.003 . 2 . . . . 8 ILE HG12 . 16009 1 100 . 1 1 10 10 ILE HG13 H 1 1.527 0.012 . 2 . . . . 8 ILE HG13 . 16009 1 101 . 1 1 10 10 ILE HG21 H 1 0.923 0.005 . 1 . . . . 8 ILE HG21 . 16009 1 102 . 1 1 10 10 ILE HG22 H 1 0.923 0.005 . 1 . . . . 8 ILE HG22 . 16009 1 103 . 1 1 10 10 ILE HG23 H 1 0.923 0.005 . 1 . . . . 8 ILE HG23 . 16009 1 104 . 1 1 10 10 ILE C C 13 175.671 0.013 . 1 . . . . 8 ILE C . 16009 1 105 . 1 1 10 10 ILE CA C 13 58.465 0.142 . 1 . . . . 8 ILE CA . 16009 1 106 . 1 1 10 10 ILE CB C 13 39.227 0.051 . 1 . . . . 8 ILE CB . 16009 1 107 . 1 1 10 10 ILE CD1 C 13 12.136 0.059 . 1 . . . . 8 ILE CD1 . 16009 1 108 . 1 1 10 10 ILE CG1 C 13 27.266 0.047 . 1 . . . . 8 ILE CG1 . 16009 1 109 . 1 1 10 10 ILE CG2 C 13 17.849 0.097 . 1 . . . . 8 ILE CG2 . 16009 1 110 . 1 1 10 10 ILE N N 15 123.426 0.063 . 1 . . . . 8 ILE N . 16009 1 111 . 1 1 11 11 LEU H H 1 7.299 0.005 . 1 . . . . 9 LEU H . 16009 1 112 . 1 1 11 11 LEU HA H 1 4.256 0.005 . 1 . . . . 9 LEU HA . 16009 1 113 . 1 1 11 11 LEU HB2 H 1 1.216 0.006 . 2 . . . . 9 LEU HB2 . 16009 1 114 . 1 1 11 11 LEU HB3 H 1 1.791 0.006 . 2 . . . . 9 LEU HB3 . 16009 1 115 . 1 1 11 11 LEU HD11 H 1 0.763 0.006 . 1 . . . . 9 LEU HD11 . 16009 1 116 . 1 1 11 11 LEU HD12 H 1 0.763 0.006 . 1 . . . . 9 LEU HD12 . 16009 1 117 . 1 1 11 11 LEU HD13 H 1 0.763 0.006 . 1 . . . . 9 LEU HD13 . 16009 1 118 . 1 1 11 11 LEU HD21 H 1 0.401 0.004 . 1 . . . . 9 LEU HD21 . 16009 1 119 . 1 1 11 11 LEU HD22 H 1 0.401 0.004 . 1 . . . . 9 LEU HD22 . 16009 1 120 . 1 1 11 11 LEU HD23 H 1 0.401 0.004 . 1 . . . . 9 LEU HD23 . 16009 1 121 . 1 1 11 11 LEU HG H 1 1.398 0.003 . 1 . . . . 9 LEU HG . 16009 1 122 . 1 1 11 11 LEU C C 13 175.163 0.05 . 1 . . . . 9 LEU C . 16009 1 123 . 1 1 11 11 LEU CA C 13 56.157 0.107 . 1 . . . . 9 LEU CA . 16009 1 124 . 1 1 11 11 LEU CB C 13 42.014 0.052 . 1 . . . . 9 LEU CB . 16009 1 125 . 1 1 11 11 LEU CD1 C 13 22.98 0.044 . 1 . . . . 9 LEU CD1 . 16009 1 126 . 1 1 11 11 LEU CD2 C 13 25.181 0.048 . 1 . . . . 9 LEU CD2 . 16009 1 127 . 1 1 11 11 LEU CG C 13 27.011 0.04 . 1 . . . . 9 LEU CG . 16009 1 128 . 1 1 11 11 LEU N N 15 125.463 0.036 . 1 . . . . 9 LEU N . 16009 1 129 . 1 1 12 12 THR H H 1 7.67 0.004 . 1 . . . . 10 THR H . 16009 1 130 . 1 1 12 12 THR HA H 1 5.899 0.007 . 1 . . . . 10 THR HA . 16009 1 131 . 1 1 12 12 THR HB H 1 4.432 0.002 . 1 . . . . 10 THR HB . 16009 1 132 . 1 1 12 12 THR HG21 H 1 1.289 0.005 . 1 . . . . 10 THR HG21 . 16009 1 133 . 1 1 12 12 THR HG22 H 1 1.289 0.005 . 1 . . . . 10 THR HG22 . 16009 1 134 . 1 1 12 12 THR HG23 H 1 1.289 0.005 . 1 . . . . 10 THR HG23 . 16009 1 135 . 1 1 12 12 THR C C 13 176.176 0.038 . 1 . . . . 10 THR C . 16009 1 136 . 1 1 12 12 THR CA C 13 59.256 0.082 . 1 . . . . 10 THR CA . 16009 1 137 . 1 1 12 12 THR CB C 13 73.375 0.074 . 1 . . . . 10 THR CB . 16009 1 138 . 1 1 12 12 THR CG2 C 13 22.37 0.064 . 1 . . . . 10 THR CG2 . 16009 1 139 . 1 1 12 12 THR N N 15 117.056 0.038 . 1 . . . . 10 THR N . 16009 1 140 . 1 1 13 13 VAL H H 1 8.938 0.005 . 1 . . . . 11 VAL H . 16009 1 141 . 1 1 13 13 VAL HA H 1 3.682 0.005 . 1 . . . . 11 VAL HA . 16009 1 142 . 1 1 13 13 VAL HB H 1 1.674 0.006 . 1 . . . . 11 VAL HB . 16009 1 143 . 1 1 13 13 VAL HG11 H 1 0.798 0.005 . 1 . . . . 11 VAL HG11 . 16009 1 144 . 1 1 13 13 VAL HG12 H 1 0.798 0.005 . 1 . . . . 11 VAL HG12 . 16009 1 145 . 1 1 13 13 VAL HG13 H 1 0.798 0.005 . 1 . . . . 11 VAL HG13 . 16009 1 146 . 1 1 13 13 VAL HG21 H 1 0.602 0.004 . 1 . . . . 11 VAL HG21 . 16009 1 147 . 1 1 13 13 VAL HG22 H 1 0.602 0.004 . 1 . . . . 11 VAL HG22 . 16009 1 148 . 1 1 13 13 VAL HG23 H 1 0.602 0.004 . 1 . . . . 11 VAL HG23 . 16009 1 149 . 1 1 13 13 VAL C C 13 178.946 0.014 . 1 . . . . 11 VAL C . 16009 1 150 . 1 1 13 13 VAL CA C 13 65.773 0.075 . 1 . . . . 11 VAL CA . 16009 1 151 . 1 1 13 13 VAL CB C 13 33.317 0.079 . 1 . . . . 11 VAL CB . 16009 1 152 . 1 1 13 13 VAL CG1 C 13 20.972 0.051 . 1 . . . . 11 VAL CG1 . 16009 1 153 . 1 1 13 13 VAL CG2 C 13 22.132 0.006 . 1 . . . . 11 VAL CG2 . 16009 1 154 . 1 1 13 13 VAL N N 15 125.225 0.044 . 1 . . . . 11 VAL N . 16009 1 155 . 1 1 14 14 GLU H H 1 10.004 0.004 . 1 . . . . 12 GLU H . 16009 1 156 . 1 1 14 14 GLU HA H 1 3.686 0.005 . 1 . . . . 12 GLU HA . 16009 1 157 . 1 1 14 14 GLU HB2 H 1 0.967 0.005 . 2 . . . . 12 GLU HB2 . 16009 1 158 . 1 1 14 14 GLU HB3 H 1 1.288 0.001 . 2 . . . . 12 GLU HB3 . 16009 1 159 . 1 1 14 14 GLU HG2 H 1 2.001 0.002 . 2 . . . . 12 GLU HG2 . 16009 1 160 . 1 1 14 14 GLU HG3 H 1 2.427 0.002 . 2 . . . . 12 GLU HG3 . 16009 1 161 . 1 1 14 14 GLU C C 13 178.472 0.068 . 1 . . . . 12 GLU C . 16009 1 162 . 1 1 14 14 GLU CA C 13 60.399 0.032 . 1 . . . . 12 GLU CA . 16009 1 163 . 1 1 14 14 GLU CB C 13 28.036 0.079 . 1 . . . . 12 GLU CB . 16009 1 164 . 1 1 14 14 GLU CG C 13 36.427 0.034 . 1 . . . . 12 GLU CG . 16009 1 165 . 1 1 14 14 GLU N N 15 116.372 0.027 . 1 . . . . 12 GLU N . 16009 1 166 . 1 1 15 15 TYR H H 1 7.442 0.005 . 1 . . . . 13 TYR H . 16009 1 167 . 1 1 15 15 TYR HA H 1 4.889 0.009 . 1 . . . . 13 TYR HA . 16009 1 168 . 1 1 15 15 TYR HB2 H 1 2.641 0.006 . 2 . . . . 13 TYR HB2 . 16009 1 169 . 1 1 15 15 TYR HB3 H 1 3.283 0.007 . 2 . . . . 13 TYR HB3 . 16009 1 170 . 1 1 15 15 TYR HD1 H 1 6.794 0.002 . 3 . . . . 13 TYR HD1 . 16009 1 171 . 1 1 15 15 TYR HD2 H 1 6.794 0.002 . 3 . . . . 13 TYR HD2 . 16009 1 172 . 1 1 15 15 TYR HE1 H 1 6.824 0 . 3 . . . . 13 TYR HE1 . 16009 1 173 . 1 1 15 15 TYR HE2 H 1 6.824 0 . 3 . . . . 13 TYR HE2 . 16009 1 174 . 1 1 15 15 TYR C C 13 175.96 0.007 . 1 . . . . 13 TYR C . 16009 1 175 . 1 1 15 15 TYR CA C 13 56.043 0.057 . 1 . . . . 13 TYR CA . 16009 1 176 . 1 1 15 15 TYR CB C 13 40.361 0.038 . 1 . . . . 13 TYR CB . 16009 1 177 . 1 1 15 15 TYR CD1 C 13 128.962 0 . 3 . . . . 13 TYR CD1 . 16009 1 178 . 1 1 15 15 TYR CD2 C 13 128.962 0 . 3 . . . . 13 TYR CD2 . 16009 1 179 . 1 1 15 15 TYR N N 15 111.694 0.055 . 1 . . . . 13 TYR N . 16009 1 180 . 1 1 16 16 GLY H H 1 7.206 0.004 . 1 . . . . 14 GLY H . 16009 1 181 . 1 1 16 16 GLY HA2 H 1 3.861 0.009 . 2 . . . . 14 GLY HA2 . 16009 1 182 . 1 1 16 16 GLY HA3 H 1 4.248 0.004 . 2 . . . . 14 GLY HA3 . 16009 1 183 . 1 1 16 16 GLY C C 13 176.114 0.023 . 1 . . . . 14 GLY C . 16009 1 184 . 1 1 16 16 GLY CA C 13 45.179 0.033 . 1 . . . . 14 GLY CA . 16009 1 185 . 1 1 16 16 GLY N N 15 109.018 0.035 . 1 . . . . 14 GLY N . 16009 1 186 . 1 1 17 17 LEU H H 1 8.85 0.009 . 1 . . . . 15 LEU H . 16009 1 187 . 1 1 17 17 LEU HA H 1 4.775 0.004 . 1 . . . . 15 LEU HA . 16009 1 188 . 1 1 17 17 LEU HB2 H 1 1.397 0.006 . 2 . . . . 15 LEU HB2 . 16009 1 189 . 1 1 17 17 LEU HB3 H 1 1.845 0.011 . 2 . . . . 15 LEU HB3 . 16009 1 190 . 1 1 17 17 LEU HD11 H 1 0.978 0.002 . 1 . . . . 15 LEU HD11 . 16009 1 191 . 1 1 17 17 LEU HD12 H 1 0.978 0.002 . 1 . . . . 15 LEU HD12 . 16009 1 192 . 1 1 17 17 LEU HD13 H 1 0.978 0.002 . 1 . . . . 15 LEU HD13 . 16009 1 193 . 1 1 17 17 LEU HD21 H 1 0.728 0.003 . 1 . . . . 15 LEU HD21 . 16009 1 194 . 1 1 17 17 LEU HD22 H 1 0.728 0.003 . 1 . . . . 15 LEU HD22 . 16009 1 195 . 1 1 17 17 LEU HD23 H 1 0.728 0.003 . 1 . . . . 15 LEU HD23 . 16009 1 196 . 1 1 17 17 LEU HG H 1 1.751 0.004 . 1 . . . . 15 LEU HG . 16009 1 197 . 1 1 17 17 LEU C C 13 177.288 0.034 . 1 . . . . 15 LEU C . 16009 1 198 . 1 1 17 17 LEU CA C 13 55.573 0.046 . 1 . . . . 15 LEU CA . 16009 1 199 . 1 1 17 17 LEU CB C 13 42.206 0.044 . 1 . . . . 15 LEU CB . 16009 1 200 . 1 1 17 17 LEU CD1 C 13 25.834 0.07 . 1 . . . . 15 LEU CD1 . 16009 1 201 . 1 1 17 17 LEU CD2 C 13 23.243 0.021 . 1 . . . . 15 LEU CD2 . 16009 1 202 . 1 1 17 17 LEU CG C 13 26.792 0.029 . 1 . . . . 15 LEU CG . 16009 1 203 . 1 1 17 17 LEU N N 15 127.337 0.047 . 1 . . . . 15 LEU N . 16009 1 204 . 1 1 18 18 LEU H H 1 8.751 0.005 . 1 . . . . 16 LEU H . 16009 1 205 . 1 1 18 18 LEU HA H 1 5.082 0.006 . 1 . . . . 16 LEU HA . 16009 1 206 . 1 1 18 18 LEU HB2 H 1 1.268 0.007 . 1 . . . . 16 LEU HB2 . 16009 1 207 . 1 1 18 18 LEU HB3 H 1 1.573 0.014 . 1 . . . . 16 LEU HB3 . 16009 1 208 . 1 1 18 18 LEU HD11 H 1 0.732 0.001 . 1 . . . . 16 LEU HD11 . 16009 1 209 . 1 1 18 18 LEU HD12 H 1 0.732 0.001 . 1 . . . . 16 LEU HD12 . 16009 1 210 . 1 1 18 18 LEU HD13 H 1 0.732 0.001 . 1 . . . . 16 LEU HD13 . 16009 1 211 . 1 1 18 18 LEU HD21 H 1 0.814 0.003 . 1 . . . . 16 LEU HD21 . 16009 1 212 . 1 1 18 18 LEU HD22 H 1 0.814 0.003 . 1 . . . . 16 LEU HD22 . 16009 1 213 . 1 1 18 18 LEU HD23 H 1 0.814 0.003 . 1 . . . . 16 LEU HD23 . 16009 1 214 . 1 1 18 18 LEU HG H 1 1.516 0.004 . 1 . . . . 16 LEU HG . 16009 1 215 . 1 1 18 18 LEU C C 13 173.987 0.016 . 1 . . . . 16 LEU C . 16009 1 216 . 1 1 18 18 LEU CA C 13 51.581 0.037 . 1 . . . . 16 LEU CA . 16009 1 217 . 1 1 18 18 LEU CB C 13 47.184 0.055 . 1 . . . . 16 LEU CB . 16009 1 218 . 1 1 18 18 LEU CD1 C 13 26.68 0.002 . 1 . . . . 16 LEU CD1 . 16009 1 219 . 1 1 18 18 LEU CD2 C 13 24.371 0.059 . 1 . . . . 16 LEU CD2 . 16009 1 220 . 1 1 18 18 LEU CG C 13 26.45 0.034 . 1 . . . . 16 LEU CG . 16009 1 221 . 1 1 18 18 LEU N N 15 124.635 0.033 . 1 . . . . 16 LEU N . 16009 1 222 . 1 1 19 19 PRO HA H 1 4.509 0.01 . 1 . . . . 17 PRO HA . 16009 1 223 . 1 1 19 19 PRO HB2 H 1 1.804 0.015 . 2 . . . . 17 PRO HB2 . 16009 1 224 . 1 1 19 19 PRO HB3 H 1 2.475 0.002 . 2 . . . . 17 PRO HB3 . 16009 1 225 . 1 1 19 19 PRO HD2 H 1 3.461 0.004 . 2 . . . . 17 PRO HD2 . 16009 1 226 . 1 1 19 19 PRO HD3 H 1 4.05 0.01 . 2 . . . . 17 PRO HD3 . 16009 1 227 . 1 1 19 19 PRO HG2 H 1 2.157 0.006 . 1 . . . . 17 PRO HG2 . 16009 1 228 . 1 1 19 19 PRO HG3 H 1 2.159 0.002 . 1 . . . . 17 PRO HG3 . 16009 1 229 . 1 1 19 19 PRO C C 13 178.189 0.009 . 1 . . . . 17 PRO C . 16009 1 230 . 1 1 19 19 PRO CA C 13 62.329 0.049 . 1 . . . . 17 PRO CA . 16009 1 231 . 1 1 19 19 PRO CB C 13 32.412 0.059 . 1 . . . . 17 PRO CB . 16009 1 232 . 1 1 19 19 PRO CD C 13 51.279 0.062 . 1 . . . . 17 PRO CD . 16009 1 233 . 1 1 19 19 PRO CG C 13 27.693 0.061 . 1 . . . . 17 PRO CG . 16009 1 234 . 1 1 20 20 ILE H H 1 9.643 0.005 . 1 . . . . 18 ILE H . 16009 1 235 . 1 1 20 20 ILE HA H 1 3.697 0.004 . 1 . . . . 18 ILE HA . 16009 1 236 . 1 1 20 20 ILE HB H 1 1.784 0.007 . 1 . . . . 18 ILE HB . 16009 1 237 . 1 1 20 20 ILE HD11 H 1 0.9 0.003 . 1 . . . . 18 ILE HD11 . 16009 1 238 . 1 1 20 20 ILE HD12 H 1 0.9 0.003 . 1 . . . . 18 ILE HD12 . 16009 1 239 . 1 1 20 20 ILE HD13 H 1 0.9 0.003 . 1 . . . . 18 ILE HD13 . 16009 1 240 . 1 1 20 20 ILE HG12 H 1 1.091 0.004 . 2 . . . . 18 ILE HG12 . 16009 1 241 . 1 1 20 20 ILE HG13 H 1 1.239 0.008 . 2 . . . . 18 ILE HG13 . 16009 1 242 . 1 1 20 20 ILE HG21 H 1 1.03 0.007 . 1 . . . . 18 ILE HG21 . 16009 1 243 . 1 1 20 20 ILE HG22 H 1 1.03 0.007 . 1 . . . . 18 ILE HG22 . 16009 1 244 . 1 1 20 20 ILE HG23 H 1 1.03 0.007 . 1 . . . . 18 ILE HG23 . 16009 1 245 . 1 1 20 20 ILE C C 13 175.587 0.044 . 1 . . . . 18 ILE C . 16009 1 246 . 1 1 20 20 ILE CA C 13 64.781 0.064 . 1 . . . . 18 ILE CA . 16009 1 247 . 1 1 20 20 ILE CB C 13 37.755 0.075 . 1 . . . . 18 ILE CB . 16009 1 248 . 1 1 20 20 ILE CD1 C 13 15.445 0.116 . 1 . . . . 18 ILE CD1 . 16009 1 249 . 1 1 20 20 ILE CG1 C 13 29.496 0.058 . 1 . . . . 18 ILE CG1 . 16009 1 250 . 1 1 20 20 ILE CG2 C 13 17.899 0.14 . 1 . . . . 18 ILE CG2 . 16009 1 251 . 1 1 20 20 ILE N N 15 128.252 0.028 . 1 . . . . 18 ILE N . 16009 1 252 . 1 1 21 21 GLY H H 1 8.839 0.005 . 1 . . . . 19 GLY H . 16009 1 253 . 1 1 21 21 GLY HA2 H 1 1.386 0.009 . 2 . . . . 19 GLY HA2 . 16009 1 254 . 1 1 21 21 GLY HA3 H 1 1.683 0.006 . 2 . . . . 19 GLY HA3 . 16009 1 255 . 1 1 21 21 GLY C C 13 174.669 0.017 . 1 . . . . 19 GLY C . 16009 1 256 . 1 1 21 21 GLY CA C 13 45.116 0.044 . 1 . . . . 19 GLY CA . 16009 1 257 . 1 1 21 21 GLY N N 15 109.813 0.039 . 1 . . . . 19 GLY N . 16009 1 258 . 1 1 22 22 LYS H H 1 6.102 0.003 . 1 . . . . 20 LYS H . 16009 1 259 . 1 1 22 22 LYS HA H 1 3.993 0.005 . 1 . . . . 20 LYS HA . 16009 1 260 . 1 1 22 22 LYS HB2 H 1 1.665 0.004 . 2 . . . . 20 LYS HB2 . 16009 1 261 . 1 1 22 22 LYS HB3 H 1 1.754 0.012 . 2 . . . . 20 LYS HB3 . 16009 1 262 . 1 1 22 22 LYS HD2 H 1 1.601 0.006 . 1 . . . . 20 LYS HD2 . 16009 1 263 . 1 1 22 22 LYS HD3 H 1 1.601 0.006 . 1 . . . . 20 LYS HD3 . 16009 1 264 . 1 1 22 22 LYS HG2 H 1 1.276 0.001 . 2 . . . . 20 LYS HG2 . 16009 1 265 . 1 1 22 22 LYS HG3 H 1 1.386 0.007 . 2 . . . . 20 LYS HG3 . 16009 1 266 . 1 1 22 22 LYS C C 13 177.978 0.007 . 1 . . . . 20 LYS C . 16009 1 267 . 1 1 22 22 LYS CA C 13 58.535 0.033 . 1 . . . . 20 LYS CA . 16009 1 268 . 1 1 22 22 LYS CB C 13 33.128 0.032 . 1 . . . . 20 LYS CB . 16009 1 269 . 1 1 22 22 LYS CD C 13 29.499 0.001 . 1 . . . . 20 LYS CD . 16009 1 270 . 1 1 22 22 LYS CE C 13 41.829 0.007 . 1 . . . . 20 LYS CE . 16009 1 271 . 1 1 22 22 LYS CG C 13 25.006 0.022 . 1 . . . . 20 LYS CG . 16009 1 272 . 1 1 22 22 LYS N N 15 118.832 0.021 . 1 . . . . 20 LYS N . 16009 1 273 . 1 1 23 23 ILE H H 1 7.311 0.007 . 1 . . . . 21 ILE H . 16009 1 274 . 1 1 23 23 ILE HA H 1 3.336 0.005 . 1 . . . . 21 ILE HA . 16009 1 275 . 1 1 23 23 ILE HB H 1 1.922 0.004 . 1 . . . . 21 ILE HB . 16009 1 276 . 1 1 23 23 ILE HD11 H 1 0.689 0.006 . 1 . . . . 21 ILE HD11 . 16009 1 277 . 1 1 23 23 ILE HD12 H 1 0.689 0.006 . 1 . . . . 21 ILE HD12 . 16009 1 278 . 1 1 23 23 ILE HD13 H 1 0.689 0.006 . 1 . . . . 21 ILE HD13 . 16009 1 279 . 1 1 23 23 ILE HG12 H 1 0.767 0.004 . 2 . . . . 21 ILE HG12 . 16009 1 280 . 1 1 23 23 ILE HG13 H 1 1.607 0.002 . 2 . . . . 21 ILE HG13 . 16009 1 281 . 1 1 23 23 ILE HG21 H 1 0.998 0.002 . 1 . . . . 21 ILE HG21 . 16009 1 282 . 1 1 23 23 ILE HG22 H 1 0.998 0.002 . 1 . . . . 21 ILE HG22 . 16009 1 283 . 1 1 23 23 ILE HG23 H 1 0.998 0.002 . 1 . . . . 21 ILE HG23 . 16009 1 284 . 1 1 23 23 ILE C C 13 178.021 0.011 . 1 . . . . 21 ILE C . 16009 1 285 . 1 1 23 23 ILE CA C 13 65.588 0.041 . 1 . . . . 21 ILE CA . 16009 1 286 . 1 1 23 23 ILE CB C 13 38.416 0.063 . 1 . . . . 21 ILE CB . 16009 1 287 . 1 1 23 23 ILE CD1 C 13 13.756 0.057 . 1 . . . . 21 ILE CD1 . 16009 1 288 . 1 1 23 23 ILE CG1 C 13 29.136 0.014 . 1 . . . . 21 ILE CG1 . 16009 1 289 . 1 1 23 23 ILE CG2 C 13 16.643 0.086 . 1 . . . . 21 ILE CG2 . 16009 1 290 . 1 1 23 23 ILE N N 15 117.06 0.052 . 1 . . . . 21 ILE N . 16009 1 291 . 1 1 24 24 VAL H H 1 8.239 0.005 . 1 . . . . 22 VAL H . 16009 1 292 . 1 1 24 24 VAL HA H 1 3.956 0.004 . 1 . . . . 22 VAL HA . 16009 1 293 . 1 1 24 24 VAL HB H 1 1.957 0.012 . 1 . . . . 22 VAL HB . 16009 1 294 . 1 1 24 24 VAL HG11 H 1 1.056 0.007 . 1 . . . . 22 VAL HG11 . 16009 1 295 . 1 1 24 24 VAL HG12 H 1 1.056 0.007 . 1 . . . . 22 VAL HG12 . 16009 1 296 . 1 1 24 24 VAL HG13 H 1 1.056 0.007 . 1 . . . . 22 VAL HG13 . 16009 1 297 . 1 1 24 24 VAL HG21 H 1 1.237 0.009 . 1 . . . . 22 VAL HG21 . 16009 1 298 . 1 1 24 24 VAL HG22 H 1 1.237 0.009 . 1 . . . . 22 VAL HG22 . 16009 1 299 . 1 1 24 24 VAL HG23 H 1 1.237 0.009 . 1 . . . . 22 VAL HG23 . 16009 1 300 . 1 1 24 24 VAL C C 13 178.647 0.017 . 1 . . . . 22 VAL C . 16009 1 301 . 1 1 24 24 VAL CA C 13 67.601 0.023 . 1 . . . . 22 VAL CA . 16009 1 302 . 1 1 24 24 VAL CB C 13 31.69 0.105 . 1 . . . . 22 VAL CB . 16009 1 303 . 1 1 24 24 VAL CG1 C 13 21.003 0.003 . 1 . . . . 22 VAL CG1 . 16009 1 304 . 1 1 24 24 VAL CG2 C 13 24.341 0.087 . 1 . . . . 22 VAL CG2 . 16009 1 305 . 1 1 24 24 VAL N N 15 115.395 0.035 . 1 . . . . 22 VAL N . 16009 1 306 . 1 1 25 25 GLU H H 1 8.735 0.004 . 1 . . . . 23 GLU H . 16009 1 307 . 1 1 25 25 GLU HA H 1 4.029 0.007 . 1 . . . . 23 GLU HA . 16009 1 308 . 1 1 25 25 GLU HB2 H 1 1.974 0.008 . 2 . . . . 23 GLU HB2 . 16009 1 309 . 1 1 25 25 GLU HB3 H 1 2.242 0.008 . 2 . . . . 23 GLU HB3 . 16009 1 310 . 1 1 25 25 GLU HG2 H 1 2.4 0.003 . 2 . . . . 23 GLU HG2 . 16009 1 311 . 1 1 25 25 GLU HG3 H 1 2.633 0.005 . 2 . . . . 23 GLU HG3 . 16009 1 312 . 1 1 25 25 GLU C C 13 178.779 0.046 . 1 . . . . 23 GLU C . 16009 1 313 . 1 1 25 25 GLU CA C 13 60.173 0.047 . 1 . . . . 23 GLU CA . 16009 1 314 . 1 1 25 25 GLU CB C 13 29.662 0.097 . 1 . . . . 23 GLU CB . 16009 1 315 . 1 1 25 25 GLU CG C 13 37.371 0.012 . 1 . . . . 23 GLU CG . 16009 1 316 . 1 1 25 25 GLU N N 15 120.219 0.045 . 1 . . . . 23 GLU N . 16009 1 317 . 1 1 26 26 LYS H H 1 7.659 0.006 . 1 . . . . 24 LYS H . 16009 1 318 . 1 1 26 26 LYS HA H 1 4.27 0.006 . 1 . . . . 24 LYS HA . 16009 1 319 . 1 1 26 26 LYS HB2 H 1 1.645 0.008 . 1 . . . . 24 LYS HB2 . 16009 1 320 . 1 1 26 26 LYS HB3 H 1 1.832 0.009 . 1 . . . . 24 LYS HB3 . 16009 1 321 . 1 1 26 26 LYS HD2 H 1 1.536 0.001 . 1 . . . . 24 LYS HD2 . 16009 1 322 . 1 1 26 26 LYS HD3 H 1 1.536 0.001 . 1 . . . . 24 LYS HD3 . 16009 1 323 . 1 1 26 26 LYS HG2 H 1 1.35 0.005 . 2 . . . . 24 LYS HG2 . 16009 1 324 . 1 1 26 26 LYS HG3 H 1 1.449 0.009 . 2 . . . . 24 LYS HG3 . 16009 1 325 . 1 1 26 26 LYS C C 13 174.63 0.001 . 1 . . . . 24 LYS C . 16009 1 326 . 1 1 26 26 LYS CA C 13 54.512 0.058 . 1 . . . . 24 LYS CA . 16009 1 327 . 1 1 26 26 LYS CB C 13 31.422 0.039 . 1 . . . . 24 LYS CB . 16009 1 328 . 1 1 26 26 LYS CD C 13 28.292 0.045 . 1 . . . . 24 LYS CD . 16009 1 329 . 1 1 26 26 LYS CE C 13 42.021 0.014 . 1 . . . . 24 LYS CE . 16009 1 330 . 1 1 26 26 LYS CG C 13 25.105 0.029 . 1 . . . . 24 LYS CG . 16009 1 331 . 1 1 26 26 LYS N N 15 113.38 0.035 . 1 . . . . 24 LYS N . 16009 1 332 . 1 1 27 27 ARG H H 1 7.457 0.005 . 1 . . . . 25 ARG H . 16009 1 333 . 1 1 27 27 ARG HA H 1 2.593 0.007 . 1 . . . . 25 ARG HA . 16009 1 334 . 1 1 27 27 ARG HB2 H 1 0.829 0.007 . 2 . . . . 25 ARG HB2 . 16009 1 335 . 1 1 27 27 ARG HB3 H 1 1.09 0.007 . 2 . . . . 25 ARG HB3 . 16009 1 336 . 1 1 27 27 ARG HD2 H 1 2.753 0.003 . 1 . . . . 25 ARG HD2 . 16009 1 337 . 1 1 27 27 ARG HD3 H 1 2.757 0.003 . 1 . . . . 25 ARG HD3 . 16009 1 338 . 1 1 27 27 ARG HG2 H 1 0.483 0.006 . 2 . . . . 25 ARG HG2 . 16009 1 339 . 1 1 27 27 ARG HG3 H 1 0.688 0.009 . 2 . . . . 25 ARG HG3 . 16009 1 340 . 1 1 27 27 ARG C C 13 174.468 0.028 . 1 . . . . 25 ARG C . 16009 1 341 . 1 1 27 27 ARG CA C 13 55.78 0.031 . 1 . . . . 25 ARG CA . 16009 1 342 . 1 1 27 27 ARG CB C 13 27.512 0.036 . 1 . . . . 25 ARG CB . 16009 1 343 . 1 1 27 27 ARG CD C 13 43.226 0.03 . 1 . . . . 25 ARG CD . 16009 1 344 . 1 1 27 27 ARG CG C 13 27.745 0.027 . 1 . . . . 25 ARG CG . 16009 1 345 . 1 1 27 27 ARG N N 15 124.358 0.039 . 1 . . . . 25 ARG N . 16009 1 346 . 1 1 27 27 ARG NE N 15 85.313 0.011 . 1 . . . . 25 ARG NE . 16009 1 347 . 1 1 28 28 ILE H H 1 8.452 0.005 . 1 . . . . 26 ILE H . 16009 1 348 . 1 1 28 28 ILE HA H 1 3.528 0.004 . 1 . . . . 26 ILE HA . 16009 1 349 . 1 1 28 28 ILE HB H 1 1.67 0.008 . 1 . . . . 26 ILE HB . 16009 1 350 . 1 1 28 28 ILE HD11 H 1 0.483 0.003 . 1 . . . . 26 ILE HD11 . 16009 1 351 . 1 1 28 28 ILE HD12 H 1 0.483 0.003 . 1 . . . . 26 ILE HD12 . 16009 1 352 . 1 1 28 28 ILE HD13 H 1 0.483 0.003 . 1 . . . . 26 ILE HD13 . 16009 1 353 . 1 1 28 28 ILE HG12 H 1 0.845 0.004 . 2 . . . . 26 ILE HG12 . 16009 1 354 . 1 1 28 28 ILE HG13 H 1 1.521 0.003 . 2 . . . . 26 ILE HG13 . 16009 1 355 . 1 1 28 28 ILE HG21 H 1 0.684 0.005 . 1 . . . . 26 ILE HG21 . 16009 1 356 . 1 1 28 28 ILE HG22 H 1 0.684 0.005 . 1 . . . . 26 ILE HG22 . 16009 1 357 . 1 1 28 28 ILE HG23 H 1 0.684 0.005 . 1 . . . . 26 ILE HG23 . 16009 1 358 . 1 1 28 28 ILE C C 13 176.913 0.036 . 1 . . . . 26 ILE C . 16009 1 359 . 1 1 28 28 ILE CA C 13 63.287 0.039 . 1 . . . . 26 ILE CA . 16009 1 360 . 1 1 28 28 ILE CB C 13 38.877 0.052 . 1 . . . . 26 ILE CB . 16009 1 361 . 1 1 28 28 ILE CD1 C 13 12.856 0.06 . 1 . . . . 26 ILE CD1 . 16009 1 362 . 1 1 28 28 ILE CG1 C 13 28.464 0.056 . 1 . . . . 26 ILE CG1 . 16009 1 363 . 1 1 28 28 ILE CG2 C 13 16.985 0.093 . 1 . . . . 26 ILE CG2 . 16009 1 364 . 1 1 28 28 ILE N N 15 118.167 0.044 . 1 . . . . 26 ILE N . 16009 1 365 . 1 1 29 29 GLU H H 1 8.5 0.005 . 1 . . . . 27 GLU H . 16009 1 366 . 1 1 29 29 GLU HA H 1 4.956 0.013 . 1 . . . . 27 GLU HA . 16009 1 367 . 1 1 29 29 GLU HB2 H 1 2.003 0.014 . 2 . . . . 27 GLU HB2 . 16009 1 368 . 1 1 29 29 GLU HB3 H 1 2.121 0.006 . 2 . . . . 27 GLU HB3 . 16009 1 369 . 1 1 29 29 GLU HG2 H 1 2.448 0.003 . 1 . . . . 27 GLU HG2 . 16009 1 370 . 1 1 29 29 GLU HG3 H 1 2.448 0.003 . 1 . . . . 27 GLU HG3 . 16009 1 371 . 1 1 29 29 GLU C C 13 175.456 0.044 . 1 . . . . 27 GLU C . 16009 1 372 . 1 1 29 29 GLU CA C 13 56.174 0.034 . 1 . . . . 27 GLU CA . 16009 1 373 . 1 1 29 29 GLU CB C 13 28.725 0.094 . 1 . . . . 27 GLU CB . 16009 1 374 . 1 1 29 29 GLU CG C 13 36.156 0.012 . 1 . . . . 27 GLU CG . 16009 1 375 . 1 1 29 29 GLU N N 15 129.247 0.035 . 1 . . . . 27 GLU N . 16009 1 376 . 1 1 30 30 CYS H H 1 8.26 0.006 . 1 . . . . 28 CYS H . 16009 1 377 . 1 1 30 30 CYS HA H 1 4.889 0.005 . 1 . . . . 28 CYS HA . 16009 1 378 . 1 1 30 30 CYS HB2 H 1 2.877 0.006 . 2 . . . . 28 CYS HB2 . 16009 1 379 . 1 1 30 30 CYS HB3 H 1 3.495 0.005 . 2 . . . . 28 CYS HB3 . 16009 1 380 . 1 1 30 30 CYS C C 13 171.375 0.005 . 1 . . . . 28 CYS C . 16009 1 381 . 1 1 30 30 CYS CA C 13 55.951 0.043 . 1 . . . . 28 CYS CA . 16009 1 382 . 1 1 30 30 CYS CB C 13 30.074 0.047 . 1 . . . . 28 CYS CB . 16009 1 383 . 1 1 30 30 CYS N N 15 119.145 0.041 . 1 . . . . 28 CYS N . 16009 1 384 . 1 1 31 31 THR H H 1 10.719 0.004 . 1 . . . . 29 THR H . 16009 1 385 . 1 1 31 31 THR HA H 1 4.632 0.01 . 1 . . . . 29 THR HA . 16009 1 386 . 1 1 31 31 THR HB H 1 3.901 0.008 . 1 . . . . 29 THR HB . 16009 1 387 . 1 1 31 31 THR HG21 H 1 1.007 0.005 . 1 . . . . 29 THR HG21 . 16009 1 388 . 1 1 31 31 THR HG22 H 1 1.007 0.005 . 1 . . . . 29 THR HG22 . 16009 1 389 . 1 1 31 31 THR HG23 H 1 1.007 0.005 . 1 . . . . 29 THR HG23 . 16009 1 390 . 1 1 31 31 THR C C 13 173.948 0.011 . 1 . . . . 29 THR C . 16009 1 391 . 1 1 31 31 THR CA C 13 62.861 0.063 . 1 . . . . 29 THR CA . 16009 1 392 . 1 1 31 31 THR CB C 13 68.317 0.059 . 1 . . . . 29 THR CB . 16009 1 393 . 1 1 31 31 THR CG2 C 13 22.923 0.091 . 1 . . . . 29 THR CG2 . 16009 1 394 . 1 1 31 31 THR N N 15 121.554 0.029 . 1 . . . . 29 THR N . 16009 1 395 . 1 1 32 32 VAL H H 1 8.693 0.005 . 1 . . . . 30 VAL H . 16009 1 396 . 1 1 32 32 VAL HA H 1 5.021 0.005 . 1 . . . . 30 VAL HA . 16009 1 397 . 1 1 32 32 VAL HB H 1 2.99 0.006 . 1 . . . . 30 VAL HB . 16009 1 398 . 1 1 32 32 VAL HG11 H 1 0.648 0.003 . 1 . . . . 30 VAL HG11 . 16009 1 399 . 1 1 32 32 VAL HG12 H 1 0.648 0.003 . 1 . . . . 30 VAL HG12 . 16009 1 400 . 1 1 32 32 VAL HG13 H 1 0.648 0.003 . 1 . . . . 30 VAL HG13 . 16009 1 401 . 1 1 32 32 VAL HG21 H 1 0.661 0.001 . 1 . . . . 30 VAL HG21 . 16009 1 402 . 1 1 32 32 VAL HG22 H 1 0.661 0.001 . 1 . . . . 30 VAL HG22 . 16009 1 403 . 1 1 32 32 VAL HG23 H 1 0.661 0.001 . 1 . . . . 30 VAL HG23 . 16009 1 404 . 1 1 32 32 VAL C C 13 173.551 0.022 . 1 . . . . 30 VAL C . 16009 1 405 . 1 1 32 32 VAL CA C 13 58.972 0.046 . 1 . . . . 30 VAL CA . 16009 1 406 . 1 1 32 32 VAL CB C 13 33.151 0.049 . 1 . . . . 30 VAL CB . 16009 1 407 . 1 1 32 32 VAL CG1 C 13 21.986 0.044 . 1 . . . . 30 VAL CG1 . 16009 1 408 . 1 1 32 32 VAL CG2 C 13 17.657 0.047 . 1 . . . . 30 VAL CG2 . 16009 1 409 . 1 1 32 32 VAL N N 15 119.418 0.068 . 1 . . . . 30 VAL N . 16009 1 410 . 1 1 33 33 TYR H H 1 8.944 0.005 . 1 . . . . 31 TYR H . 16009 1 411 . 1 1 33 33 TYR HA H 1 4.92 0.012 . 1 . . . . 31 TYR HA . 16009 1 412 . 1 1 33 33 TYR HB2 H 1 2.494 0.003 . 2 . . . . 31 TYR HB2 . 16009 1 413 . 1 1 33 33 TYR HB3 H 1 2.933 0.007 . 2 . . . . 31 TYR HB3 . 16009 1 414 . 1 1 33 33 TYR HD1 H 1 6.898 0.002 . 3 . . . . 31 TYR HD1 . 16009 1 415 . 1 1 33 33 TYR HD2 H 1 6.898 0.002 . 3 . . . . 31 TYR HD2 . 16009 1 416 . 1 1 33 33 TYR HE1 H 1 6.372 0.002 . 3 . . . . 31 TYR HE1 . 16009 1 417 . 1 1 33 33 TYR HE2 H 1 6.372 0.002 . 3 . . . . 31 TYR HE2 . 16009 1 418 . 1 1 33 33 TYR C C 13 174.84 0.019 . 1 . . . . 31 TYR C . 16009 1 419 . 1 1 33 33 TYR CA C 13 57.383 0.09 . 1 . . . . 31 TYR CA . 16009 1 420 . 1 1 33 33 TYR CB C 13 40.189 0.032 . 1 . . . . 31 TYR CB . 16009 1 421 . 1 1 33 33 TYR CD1 C 13 133.308 0.01 . 3 . . . . 31 TYR CD1 . 16009 1 422 . 1 1 33 33 TYR CD2 C 13 133.308 0.01 . 3 . . . . 31 TYR CD2 . 16009 1 423 . 1 1 33 33 TYR CE1 C 13 117.965 0.003 . 3 . . . . 31 TYR CE1 . 16009 1 424 . 1 1 33 33 TYR CE2 C 13 117.965 0.003 . 3 . . . . 31 TYR CE2 . 16009 1 425 . 1 1 33 33 TYR N N 15 117.457 0.032 . 1 . . . . 31 TYR N . 16009 1 426 . 1 1 34 34 SER H H 1 8.679 0.004 . 1 . . . . 32 SER H . 16009 1 427 . 1 1 34 34 SER HA H 1 4.723 0.014 . 1 . . . . 32 SER HA . 16009 1 428 . 1 1 34 34 SER HB2 H 1 1.994 0.011 . 2 . . . . 32 SER HB2 . 16009 1 429 . 1 1 34 34 SER HB3 H 1 3.469 0.006 . 2 . . . . 32 SER HB3 . 16009 1 430 . 1 1 34 34 SER C C 13 170.764 0.006 . 1 . . . . 32 SER C . 16009 1 431 . 1 1 34 34 SER CA C 13 56.613 0.043 . 1 . . . . 32 SER CA . 16009 1 432 . 1 1 34 34 SER CB C 13 66.664 0.019 . 1 . . . . 32 SER CB . 16009 1 433 . 1 1 34 34 SER N N 15 116.362 0.03 . 1 . . . . 32 SER N . 16009 1 434 . 1 1 35 35 VAL H H 1 9.344 0.007 . 1 . . . . 33 VAL H . 16009 1 435 . 1 1 35 35 VAL HA H 1 5.081 0.005 . 1 . . . . 33 VAL HA . 16009 1 436 . 1 1 35 35 VAL HB H 1 1.652 0.006 . 1 . . . . 33 VAL HB . 16009 1 437 . 1 1 35 35 VAL HG11 H 1 0.804 0.002 . 1 . . . . 33 VAL HG11 . 16009 1 438 . 1 1 35 35 VAL HG12 H 1 0.804 0.002 . 1 . . . . 33 VAL HG12 . 16009 1 439 . 1 1 35 35 VAL HG13 H 1 0.804 0.002 . 1 . . . . 33 VAL HG13 . 16009 1 440 . 1 1 35 35 VAL HG21 H 1 0.758 0.006 . 1 . . . . 33 VAL HG21 . 16009 1 441 . 1 1 35 35 VAL HG22 H 1 0.758 0.006 . 1 . . . . 33 VAL HG22 . 16009 1 442 . 1 1 35 35 VAL HG23 H 1 0.758 0.006 . 1 . . . . 33 VAL HG23 . 16009 1 443 . 1 1 35 35 VAL C C 13 176.683 0.039 . 1 . . . . 33 VAL C . 16009 1 444 . 1 1 35 35 VAL CA C 13 59.304 0.034 . 1 . . . . 33 VAL CA . 16009 1 445 . 1 1 35 35 VAL CB C 13 35.022 0.037 . 1 . . . . 33 VAL CB . 16009 1 446 . 1 1 35 35 VAL CG1 C 13 21.196 0.005 . 1 . . . . 33 VAL CG1 . 16009 1 447 . 1 1 35 35 VAL CG2 C 13 20.609 0.009 . 1 . . . . 33 VAL CG2 . 16009 1 448 . 1 1 35 35 VAL N N 15 117.878 0.024 . 1 . . . . 33 VAL N . 16009 1 449 . 1 1 36 36 ASP H H 1 8.635 0.004 . 1 . . . . 34 ASP H . 16009 1 450 . 1 1 36 36 ASP HA H 1 4.871 0.012 . 1 . . . . 34 ASP HA . 16009 1 451 . 1 1 36 36 ASP HB2 H 1 2.76 0.003 . 2 . . . . 34 ASP HB2 . 16009 1 452 . 1 1 36 36 ASP HB3 H 1 3.413 0.006 . 2 . . . . 34 ASP HB3 . 16009 1 453 . 1 1 36 36 ASP C C 13 178.171 0.03 . 1 . . . . 34 ASP C . 16009 1 454 . 1 1 36 36 ASP CA C 13 52.111 0.056 . 1 . . . . 34 ASP CA . 16009 1 455 . 1 1 36 36 ASP CB C 13 41.734 0.037 . 1 . . . . 34 ASP CB . 16009 1 456 . 1 1 36 36 ASP N N 15 124.153 0.042 . 1 . . . . 34 ASP N . 16009 1 457 . 1 1 37 37 ASN H H 1 8.746 0.007 . 1 . . . . 35 ASN H . 16009 1 458 . 1 1 37 37 ASN HA H 1 4.412 0.005 . 1 . . . . 35 ASN HA . 16009 1 459 . 1 1 37 37 ASN HB2 H 1 2.824 0.009 . 2 . . . . 35 ASN HB2 . 16009 1 460 . 1 1 37 37 ASN HB3 H 1 2.857 0.002 . 2 . . . . 35 ASN HB3 . 16009 1 461 . 1 1 37 37 ASN HD21 H 1 7.513 0.018 . 1 . . . . 35 ASN HD21 . 16009 1 462 . 1 1 37 37 ASN HD22 H 1 6.755 0.016 . 1 . . . . 35 ASN HD22 . 16009 1 463 . 1 1 37 37 ASN C C 13 175.784 0.009 . 1 . . . . 35 ASN C . 16009 1 464 . 1 1 37 37 ASN CA C 13 55.26 0.034 . 1 . . . . 35 ASN CA . 16009 1 465 . 1 1 37 37 ASN CB C 13 37.934 0.03 . 1 . . . . 35 ASN CB . 16009 1 466 . 1 1 37 37 ASN CG C 13 176.763 0.002 . 1 . . . . 35 ASN CG . 16009 1 467 . 1 1 37 37 ASN N N 15 115.359 0.033 . 1 . . . . 35 ASN N . 16009 1 468 . 1 1 37 37 ASN ND2 N 15 111.68 0.115 . 1 . . . . 35 ASN ND2 . 16009 1 469 . 1 1 38 38 ASN H H 1 8.346 0.005 . 1 . . . . 36 ASN H . 16009 1 470 . 1 1 38 38 ASN HA H 1 4.908 0.009 . 1 . . . . 36 ASN HA . 16009 1 471 . 1 1 38 38 ASN HB2 H 1 2.638 0.009 . 2 . . . . 36 ASN HB2 . 16009 1 472 . 1 1 38 38 ASN HB3 H 1 2.955 0.007 . 2 . . . . 36 ASN HB3 . 16009 1 473 . 1 1 38 38 ASN HD21 H 1 7.662 0.008 . 1 . . . . 36 ASN HD21 . 16009 1 474 . 1 1 38 38 ASN HD22 H 1 6.817 0.02 . 1 . . . . 36 ASN HD22 . 16009 1 475 . 1 1 38 38 ASN C C 13 175.193 0.01 . 1 . . . . 36 ASN C . 16009 1 476 . 1 1 38 38 ASN CA C 13 52.801 0.069 . 1 . . . . 36 ASN CA . 16009 1 477 . 1 1 38 38 ASN CB C 13 40.094 0.031 . 1 . . . . 36 ASN CB . 16009 1 478 . 1 1 38 38 ASN CG C 13 177.46 0.024 . 1 . . . . 36 ASN CG . 16009 1 479 . 1 1 38 38 ASN N N 15 117.095 0.059 . 1 . . . . 36 ASN N . 16009 1 480 . 1 1 38 38 ASN ND2 N 15 113.723 0.187 . 1 . . . . 36 ASN ND2 . 16009 1 481 . 1 1 39 39 GLY H H 1 8.108 0.009 . 1 . . . . 37 GLY H . 16009 1 482 . 1 1 39 39 GLY HA2 H 1 3.443 0.01 . 2 . . . . 37 GLY HA2 . 16009 1 483 . 1 1 39 39 GLY HA3 H 1 4.159 0.007 . 2 . . . . 37 GLY HA3 . 16009 1 484 . 1 1 39 39 GLY C C 13 173.975 0.004 . 1 . . . . 37 GLY C . 16009 1 485 . 1 1 39 39 GLY CA C 13 45.55 0.037 . 1 . . . . 37 GLY CA . 16009 1 486 . 1 1 39 39 GLY N N 15 108.451 0.026 . 1 . . . . 37 GLY N . 16009 1 487 . 1 1 40 40 ASN H H 1 8.548 0.01 . 1 . . . . 38 ASN H . 16009 1 488 . 1 1 40 40 ASN HA H 1 4.763 0.005 . 1 . . . . 38 ASN HA . 16009 1 489 . 1 1 40 40 ASN HB2 H 1 2.662 0.013 . 2 . . . . 38 ASN HB2 . 16009 1 490 . 1 1 40 40 ASN HB3 H 1 2.967 0.005 . 2 . . . . 38 ASN HB3 . 16009 1 491 . 1 1 40 40 ASN HD21 H 1 8.361 0.014 . 1 . . . . 38 ASN HD21 . 16009 1 492 . 1 1 40 40 ASN HD22 H 1 7.127 0.01 . 1 . . . . 38 ASN HD22 . 16009 1 493 . 1 1 40 40 ASN C C 13 174.193 0.035 . 1 . . . . 38 ASN C . 16009 1 494 . 1 1 40 40 ASN CA C 13 53.236 0.06 . 1 . . . . 38 ASN CA . 16009 1 495 . 1 1 40 40 ASN CB C 13 39.23 0.028 . 1 . . . . 38 ASN CB . 16009 1 496 . 1 1 40 40 ASN CG C 13 177.219 0.006 . 1 . . . . 38 ASN CG . 16009 1 497 . 1 1 40 40 ASN N N 15 120.176 0.096 . 1 . . . . 38 ASN N . 16009 1 498 . 1 1 40 40 ASN ND2 N 15 117.84 0.114 . 1 . . . . 38 ASN ND2 . 16009 1 499 . 1 1 41 41 ILE H H 1 8.449 0.007 . 1 . . . . 39 ILE H . 16009 1 500 . 1 1 41 41 ILE HA H 1 5.207 0.006 . 1 . . . . 39 ILE HA . 16009 1 501 . 1 1 41 41 ILE HB H 1 1.802 0.005 . 1 . . . . 39 ILE HB . 16009 1 502 . 1 1 41 41 ILE HD11 H 1 0.82 0.002 . 1 . . . . 39 ILE HD11 . 16009 1 503 . 1 1 41 41 ILE HD12 H 1 0.82 0.002 . 1 . . . . 39 ILE HD12 . 16009 1 504 . 1 1 41 41 ILE HD13 H 1 0.82 0.002 . 1 . . . . 39 ILE HD13 . 16009 1 505 . 1 1 41 41 ILE HG12 H 1 1.204 0.008 . 2 . . . . 39 ILE HG12 . 16009 1 506 . 1 1 41 41 ILE HG13 H 1 1.669 0.004 . 2 . . . . 39 ILE HG13 . 16009 1 507 . 1 1 41 41 ILE HG21 H 1 1.018 0.004 . 1 . . . . 39 ILE HG21 . 16009 1 508 . 1 1 41 41 ILE HG22 H 1 1.018 0.004 . 1 . . . . 39 ILE HG22 . 16009 1 509 . 1 1 41 41 ILE HG23 H 1 1.018 0.004 . 1 . . . . 39 ILE HG23 . 16009 1 510 . 1 1 41 41 ILE C C 13 176.296 0.011 . 1 . . . . 39 ILE C . 16009 1 511 . 1 1 41 41 ILE CA C 13 59.769 0.072 . 1 . . . . 39 ILE CA . 16009 1 512 . 1 1 41 41 ILE CB C 13 38.945 0.057 . 1 . . . . 39 ILE CB . 16009 1 513 . 1 1 41 41 ILE CD1 C 13 13.268 0.068 . 1 . . . . 39 ILE CD1 . 16009 1 514 . 1 1 41 41 ILE CG1 C 13 28.444 0.057 . 1 . . . . 39 ILE CG1 . 16009 1 515 . 1 1 41 41 ILE CG2 C 13 17.952 0.061 . 1 . . . . 39 ILE CG2 . 16009 1 516 . 1 1 41 41 ILE N N 15 123.546 0.083 . 1 . . . . 39 ILE N . 16009 1 517 . 1 1 42 42 TYR H H 1 9.35 0.007 . 1 . . . . 40 TYR H . 16009 1 518 . 1 1 42 42 TYR HA H 1 5.04 0.011 . 1 . . . . 40 TYR HA . 16009 1 519 . 1 1 42 42 TYR HB2 H 1 2.945 0.007 . 2 . . . . 40 TYR HB2 . 16009 1 520 . 1 1 42 42 TYR HB3 H 1 3.122 0.008 . 2 . . . . 40 TYR HB3 . 16009 1 521 . 1 1 42 42 TYR HD1 H 1 6.975 0.002 . 3 . . . . 40 TYR HD1 . 16009 1 522 . 1 1 42 42 TYR HD2 H 1 6.975 0.002 . 3 . . . . 40 TYR HD2 . 16009 1 523 . 1 1 42 42 TYR HE1 H 1 6.326 0.003 . 3 . . . . 40 TYR HE1 . 16009 1 524 . 1 1 42 42 TYR HE2 H 1 6.326 0.003 . 3 . . . . 40 TYR HE2 . 16009 1 525 . 1 1 42 42 TYR C C 13 172.021 0.01 . 1 . . . . 40 TYR C . 16009 1 526 . 1 1 42 42 TYR CA C 13 55.764 0.049 . 1 . . . . 40 TYR CA . 16009 1 527 . 1 1 42 42 TYR CB C 13 40.016 0.04 . 1 . . . . 40 TYR CB . 16009 1 528 . 1 1 42 42 TYR CD1 C 13 134.12 0.024 . 3 . . . . 40 TYR CD1 . 16009 1 529 . 1 1 42 42 TYR CD2 C 13 134.12 0.024 . 3 . . . . 40 TYR CD2 . 16009 1 530 . 1 1 42 42 TYR CE1 C 13 117.686 0 . 3 . . . . 40 TYR CE1 . 16009 1 531 . 1 1 42 42 TYR CE2 C 13 117.686 0 . 3 . . . . 40 TYR CE2 . 16009 1 532 . 1 1 42 42 TYR N N 15 127.535 0.037 . 1 . . . . 40 TYR N . 16009 1 533 . 1 1 43 43 THR H H 1 7.864 0.005 . 1 . . . . 41 THR H . 16009 1 534 . 1 1 43 43 THR HA H 1 5.479 0.005 . 1 . . . . 41 THR HA . 16009 1 535 . 1 1 43 43 THR HB H 1 3.795 0.005 . 1 . . . . 41 THR HB . 16009 1 536 . 1 1 43 43 THR HG21 H 1 0.343 0.004 . 1 . . . . 41 THR HG21 . 16009 1 537 . 1 1 43 43 THR HG22 H 1 0.343 0.004 . 1 . . . . 41 THR HG22 . 16009 1 538 . 1 1 43 43 THR HG23 H 1 0.343 0.004 . 1 . . . . 41 THR HG23 . 16009 1 539 . 1 1 43 43 THR C C 13 174.891 0.024 . 1 . . . . 41 THR C . 16009 1 540 . 1 1 43 43 THR CA C 13 58.003 0.061 . 1 . . . . 41 THR CA . 16009 1 541 . 1 1 43 43 THR CB C 13 70.818 0.104 . 1 . . . . 41 THR CB . 16009 1 542 . 1 1 43 43 THR CG2 C 13 21.82 0.066 . 1 . . . . 41 THR CG2 . 16009 1 543 . 1 1 43 43 THR N N 15 107.093 0.025 . 1 . . . . 41 THR N . 16009 1 544 . 1 1 44 44 GLN H H 1 8.707 0.008 . 1 . . . . 42 GLN H . 16009 1 545 . 1 1 44 44 GLN HA H 1 5.121 0.006 . 1 . . . . 42 GLN HA . 16009 1 546 . 1 1 44 44 GLN HB2 H 1 2.156 0.009 . 2 . . . . 42 GLN HB2 . 16009 1 547 . 1 1 44 44 GLN HB3 H 1 2.26 0.01 . 2 . . . . 42 GLN HB3 . 16009 1 548 . 1 1 44 44 GLN HG2 H 1 1.917 0 . 2 . . . . 42 GLN HG2 . 16009 1 549 . 1 1 44 44 GLN HG3 H 1 2.086 0.01 . 2 . . . . 42 GLN HG3 . 16009 1 550 . 1 1 44 44 GLN C C 13 171.261 0 . 1 . . . . 42 GLN C . 16009 1 551 . 1 1 44 44 GLN CA C 13 53.838 0.046 . 1 . . . . 42 GLN CA . 16009 1 552 . 1 1 44 44 GLN CB C 13 29.822 0.027 . 1 . . . . 42 GLN CB . 16009 1 553 . 1 1 44 44 GLN CG C 13 32.079 0.027 . 1 . . . . 42 GLN CG . 16009 1 554 . 1 1 44 44 GLN N N 15 116.938 0.035 . 1 . . . . 42 GLN N . 16009 1 555 . 1 1 45 45 PRO HA H 1 4.938 0.009 . 1 . . . . 43 PRO HA . 16009 1 556 . 1 1 45 45 PRO HB2 H 1 1.796 0.004 . 2 . . . . 43 PRO HB2 . 16009 1 557 . 1 1 45 45 PRO HB3 H 1 2.361 0.007 . 2 . . . . 43 PRO HB3 . 16009 1 558 . 1 1 45 45 PRO HG2 H 1 2.056 0.003 . 1 . . . . 43 PRO HG2 . 16009 1 559 . 1 1 45 45 PRO HG3 H 1 2.057 0.001 . 1 . . . . 43 PRO HG3 . 16009 1 560 . 1 1 45 45 PRO C C 13 177.378 0.004 . 1 . . . . 43 PRO C . 16009 1 561 . 1 1 45 45 PRO CA C 13 62.417 0.041 . 1 . . . . 43 PRO CA . 16009 1 562 . 1 1 45 45 PRO CB C 13 32.485 0.044 . 1 . . . . 43 PRO CB . 16009 1 563 . 1 1 45 45 PRO CD C 13 50.907 0.021 . 1 . . . . 43 PRO CD . 16009 1 564 . 1 1 45 45 PRO CG C 13 27.452 0.061 . 1 . . . . 43 PRO CG . 16009 1 565 . 1 1 46 46 VAL H H 1 8.41 0.007 . 1 . . . . 44 VAL H . 16009 1 566 . 1 1 46 46 VAL HA H 1 3.342 0.007 . 1 . . . . 44 VAL HA . 16009 1 567 . 1 1 46 46 VAL HB H 1 1.727 0.008 . 1 . . . . 44 VAL HB . 16009 1 568 . 1 1 46 46 VAL HG11 H 1 -0.247 0.004 . 1 . . . . 44 VAL HG11 . 16009 1 569 . 1 1 46 46 VAL HG12 H 1 -0.247 0.004 . 1 . . . . 44 VAL HG12 . 16009 1 570 . 1 1 46 46 VAL HG13 H 1 -0.247 0.004 . 1 . . . . 44 VAL HG13 . 16009 1 571 . 1 1 46 46 VAL HG21 H 1 0.734 0.006 . 1 . . . . 44 VAL HG21 . 16009 1 572 . 1 1 46 46 VAL HG22 H 1 0.734 0.006 . 1 . . . . 44 VAL HG22 . 16009 1 573 . 1 1 46 46 VAL HG23 H 1 0.734 0.006 . 1 . . . . 44 VAL HG23 . 16009 1 574 . 1 1 46 46 VAL C C 13 175.094 0.055 . 1 . . . . 44 VAL C . 16009 1 575 . 1 1 46 46 VAL CA C 13 65.825 0.069 . 1 . . . . 44 VAL CA . 16009 1 576 . 1 1 46 46 VAL CB C 13 31.658 0.079 . 1 . . . . 44 VAL CB . 16009 1 577 . 1 1 46 46 VAL CG1 C 13 20.932 0.077 . 1 . . . . 44 VAL CG1 . 16009 1 578 . 1 1 46 46 VAL CG2 C 13 25.779 0.086 . 1 . . . . 44 VAL CG2 . 16009 1 579 . 1 1 46 46 VAL N N 15 121.413 0.047 . 1 . . . . 44 VAL N . 16009 1 580 . 1 1 47 47 ALA H H 1 8.429 0.007 . 1 . . . . 45 ALA H . 16009 1 581 . 1 1 47 47 ALA HA H 1 4.29 0.019 . 1 . . . . 45 ALA HA . 16009 1 582 . 1 1 47 47 ALA HB1 H 1 1.204 0.015 . 1 . . . . 45 ALA HB1 . 16009 1 583 . 1 1 47 47 ALA HB2 H 1 1.204 0.015 . 1 . . . . 45 ALA HB2 . 16009 1 584 . 1 1 47 47 ALA HB3 H 1 1.204 0.015 . 1 . . . . 45 ALA HB3 . 16009 1 585 . 1 1 47 47 ALA C C 13 176.093 0.057 . 1 . . . . 45 ALA C . 16009 1 586 . 1 1 47 47 ALA CA C 13 51.684 0.07 . 1 . . . . 45 ALA CA . 16009 1 587 . 1 1 47 47 ALA CB C 13 22.097 0.103 . 1 . . . . 45 ALA CB . 16009 1 588 . 1 1 47 47 ALA N N 15 128.124 0.025 . 1 . . . . 45 ALA N . 16009 1 589 . 1 1 48 48 GLN H H 1 6.972 0.006 . 1 . . . . 46 GLN H . 16009 1 590 . 1 1 48 48 GLN HA H 1 4.249 0.012 . 1 . . . . 46 GLN HA . 16009 1 591 . 1 1 48 48 GLN HB2 H 1 1.128 0.004 . 2 . . . . 46 GLN HB2 . 16009 1 592 . 1 1 48 48 GLN HB3 H 1 1.345 0.009 . 2 . . . . 46 GLN HB3 . 16009 1 593 . 1 1 48 48 GLN HE21 H 1 7.529 0.008 . 1 . . . . 46 GLN HE21 . 16009 1 594 . 1 1 48 48 GLN HE22 H 1 6.776 0.011 . 1 . . . . 46 GLN HE22 . 16009 1 595 . 1 1 48 48 GLN HG2 H 1 2.026 0.008 . 2 . . . . 46 GLN HG2 . 16009 1 596 . 1 1 48 48 GLN HG3 H 1 2.238 0.008 . 2 . . . . 46 GLN HG3 . 16009 1 597 . 1 1 48 48 GLN C C 13 172.784 0.02 . 1 . . . . 46 GLN C . 16009 1 598 . 1 1 48 48 GLN CA C 13 54.722 0.036 . 1 . . . . 46 GLN CA . 16009 1 599 . 1 1 48 48 GLN CB C 13 33.817 0.034 . 1 . . . . 46 GLN CB . 16009 1 600 . 1 1 48 48 GLN CD C 13 179.961 0.009 . 1 . . . . 46 GLN CD . 16009 1 601 . 1 1 48 48 GLN CG C 13 33.561 0.041 . 1 . . . . 46 GLN CG . 16009 1 602 . 1 1 48 48 GLN N N 15 114.242 0.03 . 1 . . . . 46 GLN N . 16009 1 603 . 1 1 48 48 GLN NE2 N 15 112.165 0.233 . 1 . . . . 46 GLN NE2 . 16009 1 604 . 1 1 49 49 TRP H H 1 8.622 0.009 . 1 . . . . 47 TRP H . 16009 1 605 . 1 1 49 49 TRP HA H 1 4.359 0.009 . 1 . . . . 47 TRP HA . 16009 1 606 . 1 1 49 49 TRP HB2 H 1 3.012 0.006 . 2 . . . . 47 TRP HB2 . 16009 1 607 . 1 1 49 49 TRP HB3 H 1 3.309 0.014 . 2 . . . . 47 TRP HB3 . 16009 1 608 . 1 1 49 49 TRP HD1 H 1 7.005 0.002 . 1 . . . . 47 TRP HD1 . 16009 1 609 . 1 1 49 49 TRP HE1 H 1 9.483 0.005 . 1 . . . . 47 TRP HE1 . 16009 1 610 . 1 1 49 49 TRP HE3 H 1 7.498 0.002 . 1 . . . . 47 TRP HE3 . 16009 1 611 . 1 1 49 49 TRP HH2 H 1 7.024 0.002 . 1 . . . . 47 TRP HH2 . 16009 1 612 . 1 1 49 49 TRP HZ3 H 1 6.87 0.001 . 1 . . . . 47 TRP HZ3 . 16009 1 613 . 1 1 49 49 TRP C C 13 174.136 0.012 . 1 . . . . 47 TRP C . 16009 1 614 . 1 1 49 49 TRP CA C 13 58.6 0.033 . 1 . . . . 47 TRP CA . 16009 1 615 . 1 1 49 49 TRP CB C 13 31.56 0.084 . 1 . . . . 47 TRP CB . 16009 1 616 . 1 1 49 49 TRP CD1 C 13 125.612 0.023 . 1 . . . . 47 TRP CD1 . 16009 1 617 . 1 1 49 49 TRP CE3 C 13 120.297 0.016 . 1 . . . . 47 TRP CE3 . 16009 1 618 . 1 1 49 49 TRP CH2 C 13 124.326 0.032 . 1 . . . . 47 TRP CH2 . 16009 1 619 . 1 1 49 49 TRP CZ3 C 13 121.86 0.01 . 1 . . . . 47 TRP CZ3 . 16009 1 620 . 1 1 49 49 TRP N N 15 123.692 0.067 . 1 . . . . 47 TRP N . 16009 1 621 . 1 1 49 49 TRP NE1 N 15 127.629 0.024 . 1 . . . . 47 TRP NE1 . 16009 1 622 . 1 1 50 50 HIS H H 1 8.431 0.01 . 1 . . . . 48 HIS H . 16009 1 623 . 1 1 50 50 HIS HA H 1 5.093 0.006 . 1 . . . . 48 HIS HA . 16009 1 624 . 1 1 50 50 HIS HB2 H 1 2.569 0.007 . 2 . . . . 48 HIS HB2 . 16009 1 625 . 1 1 50 50 HIS HB3 H 1 2.891 0.016 . 2 . . . . 48 HIS HB3 . 16009 1 626 . 1 1 50 50 HIS HD2 H 1 6.248 0.006 . 1 . . . . 48 HIS HD2 . 16009 1 627 . 1 1 50 50 HIS HE1 H 1 8.511 0.003 . 1 . . . . 48 HIS HE1 . 16009 1 628 . 1 1 50 50 HIS C C 13 174.009 0.024 . 1 . . . . 48 HIS C . 16009 1 629 . 1 1 50 50 HIS CA C 13 55.076 0.062 . 1 . . . . 48 HIS CA . 16009 1 630 . 1 1 50 50 HIS CB C 13 32.14 0.053 . 1 . . . . 48 HIS CB . 16009 1 631 . 1 1 50 50 HIS CD2 C 13 118.634 0.007 . 1 . . . . 48 HIS CD2 . 16009 1 632 . 1 1 50 50 HIS CE1 C 13 136.529 0.012 . 1 . . . . 48 HIS CE1 . 16009 1 633 . 1 1 50 50 HIS N N 15 120.057 0.124 . 1 . . . . 48 HIS N . 16009 1 634 . 1 1 51 51 ASP H H 1 9.127 0.009 . 1 . . . . 49 ASP H . 16009 1 635 . 1 1 51 51 ASP HA H 1 4.745 0.005 . 1 . . . . 49 ASP HA . 16009 1 636 . 1 1 51 51 ASP HB2 H 1 2.544 0.006 . 2 . . . . 49 ASP HB2 . 16009 1 637 . 1 1 51 51 ASP HB3 H 1 3.087 0.012 . 2 . . . . 49 ASP HB3 . 16009 1 638 . 1 1 51 51 ASP C C 13 177.467 0.017 . 1 . . . . 49 ASP C . 16009 1 639 . 1 1 51 51 ASP CA C 13 53.747 0.039 . 1 . . . . 49 ASP CA . 16009 1 640 . 1 1 51 51 ASP CB C 13 40.616 0.04 . 1 . . . . 49 ASP CB . 16009 1 641 . 1 1 51 51 ASP N N 15 127.583 0.039 . 1 . . . . 49 ASP N . 16009 1 642 . 1 1 52 52 ARG H H 1 8.068 0.006 . 1 . . . . 50 ARG H . 16009 1 643 . 1 1 52 52 ARG HA H 1 4.325 0.007 . 1 . . . . 50 ARG HA . 16009 1 644 . 1 1 52 52 ARG HB2 H 1 1.264 0.01 . 2 . . . . 50 ARG HB2 . 16009 1 645 . 1 1 52 52 ARG HB3 H 1 1.762 0.011 . 2 . . . . 50 ARG HB3 . 16009 1 646 . 1 1 52 52 ARG HD2 H 1 2.882 0.007 . 2 . . . . 50 ARG HD2 . 16009 1 647 . 1 1 52 52 ARG HD3 H 1 3.157 0.002 . 2 . . . . 50 ARG HD3 . 16009 1 648 . 1 1 52 52 ARG HG2 H 1 1.447 0.004 . 1 . . . . 50 ARG HG2 . 16009 1 649 . 1 1 52 52 ARG HG3 H 1 1.447 0.004 . 1 . . . . 50 ARG HG3 . 16009 1 650 . 1 1 52 52 ARG C C 13 175.813 0.038 . 1 . . . . 50 ARG C . 16009 1 651 . 1 1 52 52 ARG CA C 13 54.658 0.033 . 1 . . . . 50 ARG CA . 16009 1 652 . 1 1 52 52 ARG CB C 13 29.911 0.048 . 1 . . . . 50 ARG CB . 16009 1 653 . 1 1 52 52 ARG CD C 13 43.034 0.042 . 1 . . . . 50 ARG CD . 16009 1 654 . 1 1 52 52 ARG CG C 13 26.818 0.063 . 1 . . . . 50 ARG CG . 16009 1 655 . 1 1 52 52 ARG N N 15 123.878 0.036 . 1 . . . . 50 ARG N . 16009 1 656 . 1 1 53 53 GLY H H 1 8.472 0.005 . 1 . . . . 51 GLY H . 16009 1 657 . 1 1 53 53 GLY HA2 H 1 3.8 0.002 . 2 . . . . 51 GLY HA2 . 16009 1 658 . 1 1 53 53 GLY HA3 H 1 3.89 0.019 . 2 . . . . 51 GLY HA3 . 16009 1 659 . 1 1 53 53 GLY C C 13 171.802 0.017 . 1 . . . . 51 GLY C . 16009 1 660 . 1 1 53 53 GLY CA C 13 45.059 0.04 . 1 . . . . 51 GLY CA . 16009 1 661 . 1 1 53 53 GLY N N 15 110.13 0.042 . 1 . . . . 51 GLY N . 16009 1 662 . 1 1 54 54 GLU H H 1 8.191 0.007 . 1 . . . . 52 GLU H . 16009 1 663 . 1 1 54 54 GLU HA H 1 4.541 0.004 . 1 . . . . 52 GLU HA . 16009 1 664 . 1 1 54 54 GLU HB2 H 1 1.693 0.004 . 2 . . . . 52 GLU HB2 . 16009 1 665 . 1 1 54 54 GLU HB3 H 1 1.835 0.002 . 2 . . . . 52 GLU HB3 . 16009 1 666 . 1 1 54 54 GLU HG2 H 1 1.768 0.002 . 2 . . . . 52 GLU HG2 . 16009 1 667 . 1 1 54 54 GLU HG3 H 1 2.029 0.007 . 2 . . . . 52 GLU HG3 . 16009 1 668 . 1 1 54 54 GLU C C 13 176.802 0.012 . 1 . . . . 52 GLU C . 16009 1 669 . 1 1 54 54 GLU CA C 13 55.646 0.037 . 1 . . . . 52 GLU CA . 16009 1 670 . 1 1 54 54 GLU CB C 13 30.588 0.096 . 1 . . . . 52 GLU CB . 16009 1 671 . 1 1 54 54 GLU CG C 13 37.305 0.046 . 1 . . . . 52 GLU CG . 16009 1 672 . 1 1 54 54 GLU N N 15 119.067 0.021 . 1 . . . . 52 GLU N . 16009 1 673 . 1 1 55 55 GLN H H 1 8.601 0.007 . 1 . . . . 53 GLN H . 16009 1 674 . 1 1 55 55 GLN HA H 1 4.751 0.007 . 1 . . . . 53 GLN HA . 16009 1 675 . 1 1 55 55 GLN HB2 H 1 1.437 0.007 . 2 . . . . 53 GLN HB2 . 16009 1 676 . 1 1 55 55 GLN HB3 H 1 2.416 0.005 . 2 . . . . 53 GLN HB3 . 16009 1 677 . 1 1 55 55 GLN HE21 H 1 7.184 0.012 . 1 . . . . 53 GLN HE21 . 16009 1 678 . 1 1 55 55 GLN HE22 H 1 7.066 0.011 . 1 . . . . 53 GLN HE22 . 16009 1 679 . 1 1 55 55 GLN HG2 H 1 2.069 0.001 . 2 . . . . 53 GLN HG2 . 16009 1 680 . 1 1 55 55 GLN HG3 H 1 2.279 0.008 . 2 . . . . 53 GLN HG3 . 16009 1 681 . 1 1 55 55 GLN C C 13 174.228 0.011 . 1 . . . . 53 GLN C . 16009 1 682 . 1 1 55 55 GLN CA C 13 53.876 0.034 . 1 . . . . 53 GLN CA . 16009 1 683 . 1 1 55 55 GLN CB C 13 34.286 0.062 . 1 . . . . 53 GLN CB . 16009 1 684 . 1 1 55 55 GLN CG C 13 33.94 0.044 . 1 . . . . 53 GLN CG . 16009 1 685 . 1 1 55 55 GLN N N 15 122.865 0.057 . 1 . . . . 53 GLN N . 16009 1 686 . 1 1 55 55 GLN NE2 N 15 111.167 0.098 . 1 . . . . 53 GLN NE2 . 16009 1 687 . 1 1 56 56 GLU H H 1 8.754 0.005 . 1 . . . . 54 GLU H . 16009 1 688 . 1 1 56 56 GLU HA H 1 4.094 0.017 . 1 . . . . 54 GLU HA . 16009 1 689 . 1 1 56 56 GLU HB2 H 1 1.968 0.004 . 2 . . . . 54 GLU HB2 . 16009 1 690 . 1 1 56 56 GLU HB3 H 1 2.254 0.008 . 2 . . . . 54 GLU HB3 . 16009 1 691 . 1 1 56 56 GLU HG2 H 1 2.367 0.003 . 2 . . . . 54 GLU HG2 . 16009 1 692 . 1 1 56 56 GLU HG3 H 1 2.471 0.002 . 2 . . . . 54 GLU HG3 . 16009 1 693 . 1 1 56 56 GLU C C 13 175.499 0.008 . 1 . . . . 54 GLU C . 16009 1 694 . 1 1 56 56 GLU CA C 13 57.722 0.033 . 1 . . . . 54 GLU CA . 16009 1 695 . 1 1 56 56 GLU CB C 13 30.611 0.08 . 1 . . . . 54 GLU CB . 16009 1 696 . 1 1 56 56 GLU CG C 13 36.806 0.068 . 1 . . . . 54 GLU CG . 16009 1 697 . 1 1 56 56 GLU N N 15 119.352 0.024 . 1 . . . . 54 GLU N . 16009 1 698 . 1 1 57 57 VAL H H 1 8.38 0.005 . 1 . . . . 55 VAL H . 16009 1 699 . 1 1 57 57 VAL HA H 1 4.086 0.006 . 1 . . . . 55 VAL HA . 16009 1 700 . 1 1 57 57 VAL HB H 1 1.651 0.008 . 1 . . . . 55 VAL HB . 16009 1 701 . 1 1 57 57 VAL HG11 H 1 0.705 0.009 . 1 . . . . 55 VAL HG11 . 16009 1 702 . 1 1 57 57 VAL HG12 H 1 0.705 0.009 . 1 . . . . 55 VAL HG12 . 16009 1 703 . 1 1 57 57 VAL HG13 H 1 0.705 0.009 . 1 . . . . 55 VAL HG13 . 16009 1 704 . 1 1 57 57 VAL HG21 H 1 0.738 0.001 . 1 . . . . 55 VAL HG21 . 16009 1 705 . 1 1 57 57 VAL HG22 H 1 0.738 0.001 . 1 . . . . 55 VAL HG22 . 16009 1 706 . 1 1 57 57 VAL HG23 H 1 0.738 0.001 . 1 . . . . 55 VAL HG23 . 16009 1 707 . 1 1 57 57 VAL C C 13 173.242 0.01 . 1 . . . . 55 VAL C . 16009 1 708 . 1 1 57 57 VAL CA C 13 62.204 0.021 . 1 . . . . 55 VAL CA . 16009 1 709 . 1 1 57 57 VAL CB C 13 33.955 0.06 . 1 . . . . 55 VAL CB . 16009 1 710 . 1 1 57 57 VAL CG1 C 13 22.963 0.041 . 1 . . . . 55 VAL CG1 . 16009 1 711 . 1 1 57 57 VAL CG2 C 13 24.579 0.066 . 1 . . . . 55 VAL CG2 . 16009 1 712 . 1 1 57 57 VAL N N 15 124.588 0.068 . 1 . . . . 55 VAL N . 16009 1 713 . 1 1 58 58 PHE H H 1 8.659 0.005 . 1 . . . . 56 PHE H . 16009 1 714 . 1 1 58 58 PHE HA H 1 4.701 0.009 . 1 . . . . 56 PHE HA . 16009 1 715 . 1 1 58 58 PHE HB2 H 1 2.013 0.006 . 2 . . . . 56 PHE HB2 . 16009 1 716 . 1 1 58 58 PHE HB3 H 1 2.905 0.006 . 2 . . . . 56 PHE HB3 . 16009 1 717 . 1 1 58 58 PHE HD1 H 1 7.063 0.003 . 3 . . . . 56 PHE HD1 . 16009 1 718 . 1 1 58 58 PHE HD2 H 1 7.063 0.003 . 3 . . . . 56 PHE HD2 . 16009 1 719 . 1 1 58 58 PHE HE1 H 1 7.415 0.003 . 3 . . . . 56 PHE HE1 . 16009 1 720 . 1 1 58 58 PHE HE2 H 1 7.415 0.003 . 3 . . . . 56 PHE HE2 . 16009 1 721 . 1 1 58 58 PHE C C 13 172.232 0.029 . 1 . . . . 56 PHE C . 16009 1 722 . 1 1 58 58 PHE CA C 13 56.267 0.051 . 1 . . . . 56 PHE CA . 16009 1 723 . 1 1 58 58 PHE CB C 13 42.709 0.037 . 1 . . . . 56 PHE CB . 16009 1 724 . 1 1 58 58 PHE CD1 C 13 131.684 0.107 . 3 . . . . 56 PHE CD1 . 16009 1 725 . 1 1 58 58 PHE CD2 C 13 131.684 0.107 . 3 . . . . 56 PHE CD2 . 16009 1 726 . 1 1 58 58 PHE CE1 C 13 131.361 0 . 3 . . . . 56 PHE CE1 . 16009 1 727 . 1 1 58 58 PHE CE2 C 13 131.361 0 . 3 . . . . 56 PHE CE2 . 16009 1 728 . 1 1 58 58 PHE N N 15 125.209 0.053 . 1 . . . . 56 PHE N . 16009 1 729 . 1 1 59 59 GLU H H 1 9.323 0.004 . 1 . . . . 57 GLU H . 16009 1 730 . 1 1 59 59 GLU HA H 1 4.79 0.006 . 1 . . . . 57 GLU HA . 16009 1 731 . 1 1 59 59 GLU HB2 H 1 1.787 0.012 . 2 . . . . 57 GLU HB2 . 16009 1 732 . 1 1 59 59 GLU HB3 H 1 1.955 0.017 . 2 . . . . 57 GLU HB3 . 16009 1 733 . 1 1 59 59 GLU HG2 H 1 1.77 0.005 . 1 . . . . 57 GLU HG2 . 16009 1 734 . 1 1 59 59 GLU HG3 H 1 1.769 0.004 . 1 . . . . 57 GLU HG3 . 16009 1 735 . 1 1 59 59 GLU C C 13 174.383 0.005 . 1 . . . . 57 GLU C . 16009 1 736 . 1 1 59 59 GLU CA C 13 54.777 0.039 . 1 . . . . 57 GLU CA . 16009 1 737 . 1 1 59 59 GLU CB C 13 33.352 0.04 . 1 . . . . 57 GLU CB . 16009 1 738 . 1 1 59 59 GLU CG C 13 39.163 0.012 . 1 . . . . 57 GLU CG . 16009 1 739 . 1 1 59 59 GLU N N 15 120.88 0.026 . 1 . . . . 57 GLU N . 16009 1 740 . 1 1 60 60 TYR H H 1 9.778 0.006 . 1 . . . . 58 TYR H . 16009 1 741 . 1 1 60 60 TYR HA H 1 4.813 0.01 . 1 . . . . 58 TYR HA . 16009 1 742 . 1 1 60 60 TYR HB2 H 1 2.581 0.005 . 2 . . . . 58 TYR HB2 . 16009 1 743 . 1 1 60 60 TYR HB3 H 1 2.784 0.005 . 2 . . . . 58 TYR HB3 . 16009 1 744 . 1 1 60 60 TYR C C 13 173.864 0.06 . 1 . . . . 58 TYR C . 16009 1 745 . 1 1 60 60 TYR CA C 13 57.228 0.089 . 1 . . . . 58 TYR CA . 16009 1 746 . 1 1 60 60 TYR CB C 13 37.633 0.034 . 1 . . . . 58 TYR CB . 16009 1 747 . 1 1 60 60 TYR N N 15 131.519 0.069 . 1 . . . . 58 TYR N . 16009 1 748 . 1 1 61 61 CYS H H 1 8.616 0.006 . 1 . . . . 59 CYS H . 16009 1 749 . 1 1 61 61 CYS HA H 1 5.147 0.01 . 1 . . . . 59 CYS HA . 16009 1 750 . 1 1 61 61 CYS HB2 H 1 2.576 0.004 . 2 . . . . 59 CYS HB2 . 16009 1 751 . 1 1 61 61 CYS HB3 H 1 3.114 0.005 . 2 . . . . 59 CYS HB3 . 16009 1 752 . 1 1 61 61 CYS C C 13 174.699 0.007 . 1 . . . . 59 CYS C . 16009 1 753 . 1 1 61 61 CYS CA C 13 57.151 0.057 . 1 . . . . 59 CYS CA . 16009 1 754 . 1 1 61 61 CYS CB C 13 27.293 0.058 . 1 . . . . 59 CYS CB . 16009 1 755 . 1 1 61 61 CYS N N 15 124.097 0.03 . 1 . . . . 59 CYS N . 16009 1 756 . 1 1 62 62 LEU H H 1 9.407 0.008 . 1 . . . . 60 LEU H . 16009 1 757 . 1 1 62 62 LEU HA H 1 4.91 0.004 . 1 . . . . 60 LEU HA . 16009 1 758 . 1 1 62 62 LEU HB2 H 1 1.801 0.009 . 2 . . . . 60 LEU HB2 . 16009 1 759 . 1 1 62 62 LEU HB3 H 1 2.189 0.006 . 2 . . . . 60 LEU HB3 . 16009 1 760 . 1 1 62 62 LEU HD11 H 1 0.565 0.001 . 1 . . . . 60 LEU HD11 . 16009 1 761 . 1 1 62 62 LEU HD12 H 1 0.565 0.001 . 1 . . . . 60 LEU HD12 . 16009 1 762 . 1 1 62 62 LEU HD13 H 1 0.565 0.001 . 1 . . . . 60 LEU HD13 . 16009 1 763 . 1 1 62 62 LEU HD21 H 1 0.545 0.009 . 1 . . . . 60 LEU HD21 . 16009 1 764 . 1 1 62 62 LEU HD22 H 1 0.545 0.009 . 1 . . . . 60 LEU HD22 . 16009 1 765 . 1 1 62 62 LEU HD23 H 1 0.545 0.009 . 1 . . . . 60 LEU HD23 . 16009 1 766 . 1 1 62 62 LEU HG H 1 1.585 0.003 . 1 . . . . 60 LEU HG . 16009 1 767 . 1 1 62 62 LEU C C 13 179.761 0.011 . 1 . . . . 60 LEU C . 16009 1 768 . 1 1 62 62 LEU CA C 13 56.066 0.045 . 1 . . . . 60 LEU CA . 16009 1 769 . 1 1 62 62 LEU CB C 13 42.241 0.026 . 1 . . . . 60 LEU CB . 16009 1 770 . 1 1 62 62 LEU CD1 C 13 25.051 0.018 . 1 . . . . 60 LEU CD1 . 16009 1 771 . 1 1 62 62 LEU CD2 C 13 26.204 0.047 . 1 . . . . 60 LEU CD2 . 16009 1 772 . 1 1 62 62 LEU CG C 13 30.322 0.014 . 1 . . . . 60 LEU CG . 16009 1 773 . 1 1 62 62 LEU N N 15 130.268 0.041 . 1 . . . . 60 LEU N . 16009 1 774 . 1 1 63 63 GLU H H 1 8.529 0.005 . 1 . . . . 61 GLU H . 16009 1 775 . 1 1 63 63 GLU HA H 1 4.058 0.005 . 1 . . . . 61 GLU HA . 16009 1 776 . 1 1 63 63 GLU HB2 H 1 2.141 0.002 . 2 . . . . 61 GLU HB2 . 16009 1 777 . 1 1 63 63 GLU HB3 H 1 2.195 0.008 . 2 . . . . 61 GLU HB3 . 16009 1 778 . 1 1 63 63 GLU HG2 H 1 2.343 0.005 . 2 . . . . 61 GLU HG2 . 16009 1 779 . 1 1 63 63 GLU HG3 H 1 2.504 0.004 . 2 . . . . 61 GLU HG3 . 16009 1 780 . 1 1 63 63 GLU C C 13 175.54 0.005 . 1 . . . . 61 GLU C . 16009 1 781 . 1 1 63 63 GLU CA C 13 59.667 0.029 . 1 . . . . 61 GLU CA . 16009 1 782 . 1 1 63 63 GLU CB C 13 31.029 0.116 . 1 . . . . 61 GLU CB . 16009 1 783 . 1 1 63 63 GLU CG C 13 37.546 0.077 . 1 . . . . 61 GLU CG . 16009 1 784 . 1 1 63 63 GLU N N 15 118.173 0.034 . 1 . . . . 61 GLU N . 16009 1 785 . 1 1 64 64 ASP H H 1 7.483 0.009 . 1 . . . . 62 ASP H . 16009 1 786 . 1 1 64 64 ASP HA H 1 4.683 0.01 . 1 . . . . 62 ASP HA . 16009 1 787 . 1 1 64 64 ASP HB2 H 1 2.569 0.007 . 2 . . . . 62 ASP HB2 . 16009 1 788 . 1 1 64 64 ASP HB3 H 1 3.109 0.008 . 2 . . . . 62 ASP HB3 . 16009 1 789 . 1 1 64 64 ASP C C 13 177.186 0.015 . 1 . . . . 62 ASP C . 16009 1 790 . 1 1 64 64 ASP CA C 13 53.301 0.035 . 1 . . . . 62 ASP CA . 16009 1 791 . 1 1 64 64 ASP CB C 13 40.691 0.039 . 1 . . . . 62 ASP CB . 16009 1 792 . 1 1 64 64 ASP N N 15 114.528 0.059 . 1 . . . . 62 ASP N . 16009 1 793 . 1 1 65 65 GLY H H 1 8.153 0.004 . 1 . . . . 63 GLY H . 16009 1 794 . 1 1 65 65 GLY HA2 H 1 3.53 0.006 . 2 . . . . 63 GLY HA2 . 16009 1 795 . 1 1 65 65 GLY HA3 H 1 4.309 0.006 . 2 . . . . 63 GLY HA3 . 16009 1 796 . 1 1 65 65 GLY C C 13 174.586 0.009 . 1 . . . . 63 GLY C . 16009 1 797 . 1 1 65 65 GLY CA C 13 45.115 0.039 . 1 . . . . 63 GLY CA . 16009 1 798 . 1 1 65 65 GLY N N 15 109.075 0.025 . 1 . . . . 63 GLY N . 16009 1 799 . 1 1 66 66 SER H H 1 8.309 0.007 . 1 . . . . 64 SER H . 16009 1 800 . 1 1 66 66 SER HA H 1 4.324 0.007 . 1 . . . . 64 SER HA . 16009 1 801 . 1 1 66 66 SER HB2 H 1 3.994 0.004 . 2 . . . . 64 SER HB2 . 16009 1 802 . 1 1 66 66 SER HB3 H 1 4.126 0.007 . 2 . . . . 64 SER HB3 . 16009 1 803 . 1 1 66 66 SER C C 13 172.105 0.006 . 1 . . . . 64 SER C . 16009 1 804 . 1 1 66 66 SER CA C 13 60.133 0.028 . 1 . . . . 64 SER CA . 16009 1 805 . 1 1 66 66 SER CB C 13 63.691 0.028 . 1 . . . . 64 SER CB . 16009 1 806 . 1 1 66 66 SER N N 15 118.383 0.028 . 1 . . . . 64 SER N . 16009 1 807 . 1 1 67 67 LEU H H 1 8.231 0.006 . 1 . . . . 65 LEU H . 16009 1 808 . 1 1 67 67 LEU HA H 1 5.443 0.005 . 1 . . . . 65 LEU HA . 16009 1 809 . 1 1 67 67 LEU HB2 H 1 1.177 0.009 . 2 . . . . 65 LEU HB2 . 16009 1 810 . 1 1 67 67 LEU HB3 H 1 1.688 0.009 . 2 . . . . 65 LEU HB3 . 16009 1 811 . 1 1 67 67 LEU HD11 H 1 0.809 0.005 . 1 . . . . 65 LEU HD11 . 16009 1 812 . 1 1 67 67 LEU HD12 H 1 0.809 0.005 . 1 . . . . 65 LEU HD12 . 16009 1 813 . 1 1 67 67 LEU HD13 H 1 0.809 0.005 . 1 . . . . 65 LEU HD13 . 16009 1 814 . 1 1 67 67 LEU HD21 H 1 0.786 0.008 . 1 . . . . 65 LEU HD21 . 16009 1 815 . 1 1 67 67 LEU HD22 H 1 0.786 0.008 . 1 . . . . 65 LEU HD22 . 16009 1 816 . 1 1 67 67 LEU HD23 H 1 0.786 0.008 . 1 . . . . 65 LEU HD23 . 16009 1 817 . 1 1 67 67 LEU HG H 1 1.297 0.002 . 1 . . . . 65 LEU HG . 16009 1 818 . 1 1 67 67 LEU C C 13 177.575 0.025 . 1 . . . . 65 LEU C . 16009 1 819 . 1 1 67 67 LEU CA C 13 54.04 0.094 . 1 . . . . 65 LEU CA . 16009 1 820 . 1 1 67 67 LEU CB C 13 46.189 0.056 . 1 . . . . 65 LEU CB . 16009 1 821 . 1 1 67 67 LEU CD1 C 13 25.587 0.034 . 1 . . . . 65 LEU CD1 . 16009 1 822 . 1 1 67 67 LEU CD2 C 13 24.374 0.007 . 1 . . . . 65 LEU CD2 . 16009 1 823 . 1 1 67 67 LEU N N 15 118.475 0.049 . 1 . . . . 65 LEU N . 16009 1 824 . 1 1 68 68 ILE H H 1 8.897 0.006 . 1 . . . . 66 ILE H . 16009 1 825 . 1 1 68 68 ILE HA H 1 4.115 0.009 . 1 . . . . 66 ILE HA . 16009 1 826 . 1 1 68 68 ILE HB H 1 1.252 0.007 . 1 . . . . 66 ILE HB . 16009 1 827 . 1 1 68 68 ILE HD11 H 1 -0.311 0.005 . 1 . . . . 66 ILE HD11 . 16009 1 828 . 1 1 68 68 ILE HD12 H 1 -0.311 0.005 . 1 . . . . 66 ILE HD12 . 16009 1 829 . 1 1 68 68 ILE HD13 H 1 -0.311 0.005 . 1 . . . . 66 ILE HD13 . 16009 1 830 . 1 1 68 68 ILE HG12 H 1 0.65 0.008 . 2 . . . . 66 ILE HG12 . 16009 1 831 . 1 1 68 68 ILE HG13 H 1 1.085 0.003 . 2 . . . . 66 ILE HG13 . 16009 1 832 . 1 1 68 68 ILE HG21 H 1 0.584 0.01 . 1 . . . . 66 ILE HG21 . 16009 1 833 . 1 1 68 68 ILE HG22 H 1 0.584 0.01 . 1 . . . . 66 ILE HG22 . 16009 1 834 . 1 1 68 68 ILE HG23 H 1 0.584 0.01 . 1 . . . . 66 ILE HG23 . 16009 1 835 . 1 1 68 68 ILE C C 13 174.562 0.006 . 1 . . . . 66 ILE C . 16009 1 836 . 1 1 68 68 ILE CA C 13 61.598 0.035 . 1 . . . . 66 ILE CA . 16009 1 837 . 1 1 68 68 ILE CB C 13 42.28 0.04 . 1 . . . . 66 ILE CB . 16009 1 838 . 1 1 68 68 ILE CD1 C 13 13.18 0.047 . 1 . . . . 66 ILE CD1 . 16009 1 839 . 1 1 68 68 ILE CG1 C 13 27.151 0.05 . 1 . . . . 66 ILE CG1 . 16009 1 840 . 1 1 68 68 ILE CG2 C 13 17.681 0.067 . 1 . . . . 66 ILE CG2 . 16009 1 841 . 1 1 68 68 ILE N N 15 122.282 0.043 . 1 . . . . 66 ILE N . 16009 1 842 . 1 1 69 69 ARG H H 1 9.515 0.007 . 1 . . . . 67 ARG H . 16009 1 843 . 1 1 69 69 ARG HA H 1 5.678 0.008 . 1 . . . . 67 ARG HA . 16009 1 844 . 1 1 69 69 ARG HB2 H 1 1.382 0.009 . 2 . . . . 67 ARG HB2 . 16009 1 845 . 1 1 69 69 ARG HB3 H 1 2.175 0.009 . 2 . . . . 67 ARG HB3 . 16009 1 846 . 1 1 69 69 ARG HD2 H 1 2.959 0.005 . 2 . . . . 67 ARG HD2 . 16009 1 847 . 1 1 69 69 ARG HD3 H 1 3.375 0.002 . 2 . . . . 67 ARG HD3 . 16009 1 848 . 1 1 69 69 ARG HE H 1 8.136 0 . 1 . . . . 67 ARG HE . 16009 1 849 . 1 1 69 69 ARG HG2 H 1 1.344 0.002 . 2 . . . . 67 ARG HG2 . 16009 1 850 . 1 1 69 69 ARG HG3 H 1 1.603 0.005 . 2 . . . . 67 ARG HG3 . 16009 1 851 . 1 1 69 69 ARG C C 13 173.908 0.021 . 1 . . . . 67 ARG C . 16009 1 852 . 1 1 69 69 ARG CA C 13 55.183 0.043 . 1 . . . . 67 ARG CA . 16009 1 853 . 1 1 69 69 ARG CB C 13 29.558 0.05 . 1 . . . . 67 ARG CB . 16009 1 854 . 1 1 69 69 ARG CD C 13 43.872 0.058 . 1 . . . . 67 ARG CD . 16009 1 855 . 1 1 69 69 ARG CG C 13 28.691 0.018 . 1 . . . . 67 ARG CG . 16009 1 856 . 1 1 69 69 ARG N N 15 129.605 0.032 . 1 . . . . 67 ARG N . 16009 1 857 . 1 1 69 69 ARG NE N 15 86.19 0.004 . 1 . . . . 67 ARG NE . 16009 1 858 . 1 1 70 70 ALA H H 1 9.004 0.007 . 1 . . . . 68 ALA H . 16009 1 859 . 1 1 70 70 ALA HA H 1 5.314 0.005 . 1 . . . . 68 ALA HA . 16009 1 860 . 1 1 70 70 ALA HB1 H 1 1.754 0.005 . 1 . . . . 68 ALA HB1 . 16009 1 861 . 1 1 70 70 ALA HB2 H 1 1.754 0.005 . 1 . . . . 68 ALA HB2 . 16009 1 862 . 1 1 70 70 ALA HB3 H 1 1.754 0.005 . 1 . . . . 68 ALA HB3 . 16009 1 863 . 1 1 70 70 ALA C C 13 177.127 0.022 . 1 . . . . 68 ALA C . 16009 1 864 . 1 1 70 70 ALA CA C 13 50.528 0.026 . 1 . . . . 68 ALA CA . 16009 1 865 . 1 1 70 70 ALA CB C 13 25.231 0.051 . 1 . . . . 68 ALA CB . 16009 1 866 . 1 1 70 70 ALA N N 15 124.452 0.046 . 1 . . . . 68 ALA N . 16009 1 867 . 1 1 71 71 THR H H 1 8.559 0.005 . 1 . . . . 69 THR H . 16009 1 868 . 1 1 71 71 THR HA H 1 5.176 0.007 . 1 . . . . 69 THR HA . 16009 1 869 . 1 1 71 71 THR HB H 1 4.994 0.006 . 1 . . . . 69 THR HB . 16009 1 870 . 1 1 71 71 THR HG21 H 1 1.364 0.004 . 1 . . . . 69 THR HG21 . 16009 1 871 . 1 1 71 71 THR HG22 H 1 1.364 0.004 . 1 . . . . 69 THR HG22 . 16009 1 872 . 1 1 71 71 THR HG23 H 1 1.364 0.004 . 1 . . . . 69 THR HG23 . 16009 1 873 . 1 1 71 71 THR C C 13 175.711 0.051 . 1 . . . . 69 THR C . 16009 1 874 . 1 1 71 71 THR CA C 13 62.15 0.026 . 1 . . . . 69 THR CA . 16009 1 875 . 1 1 71 71 THR CB C 13 70.012 0.045 . 1 . . . . 69 THR CB . 16009 1 876 . 1 1 71 71 THR CG2 C 13 22.574 0.057 . 1 . . . . 69 THR CG2 . 16009 1 877 . 1 1 71 71 THR N N 15 110.6 0.027 . 1 . . . . 69 THR N . 16009 1 878 . 1 1 72 72 LYS H H 1 9.015 0.005 . 1 . . . . 70 LYS H . 16009 1 879 . 1 1 72 72 LYS HA H 1 4.292 0.016 . 1 . . . . 70 LYS HA . 16009 1 880 . 1 1 72 72 LYS HB2 H 1 1.519 0.008 . 2 . . . . 70 LYS HB2 . 16009 1 881 . 1 1 72 72 LYS HB3 H 1 1.656 0.015 . 2 . . . . 70 LYS HB3 . 16009 1 882 . 1 1 72 72 LYS HD2 H 1 1.25 0.002 . 2 . . . . 70 LYS HD2 . 16009 1 883 . 1 1 72 72 LYS HD3 H 1 1.373 0.005 . 2 . . . . 70 LYS HD3 . 16009 1 884 . 1 1 72 72 LYS HE2 H 1 2.251 0.005 . 2 . . . . 70 LYS HE2 . 16009 1 885 . 1 1 72 72 LYS HE3 H 1 2.484 0.003 . 2 . . . . 70 LYS HE3 . 16009 1 886 . 1 1 72 72 LYS HG2 H 1 1.178 0.001 . 2 . . . . 70 LYS HG2 . 16009 1 887 . 1 1 72 72 LYS HG3 H 1 1.303 0.003 . 2 . . . . 70 LYS HG3 . 16009 1 888 . 1 1 72 72 LYS C C 13 176.631 0.032 . 1 . . . . 70 LYS C . 16009 1 889 . 1 1 72 72 LYS CA C 13 59.198 0.04 . 1 . . . . 70 LYS CA . 16009 1 890 . 1 1 72 72 LYS CB C 13 33.782 0.039 . 1 . . . . 70 LYS CB . 16009 1 891 . 1 1 72 72 LYS CD C 13 29.837 0.032 . 1 . . . . 70 LYS CD . 16009 1 892 . 1 1 72 72 LYS CE C 13 41.35 0.029 . 1 . . . . 70 LYS CE . 16009 1 893 . 1 1 72 72 LYS CG C 13 24.795 0.017 . 1 . . . . 70 LYS CG . 16009 1 894 . 1 1 72 72 LYS N N 15 118.694 0.029 . 1 . . . . 70 LYS N . 16009 1 895 . 1 1 73 73 ASP H H 1 8.787 0.007 . 1 . . . . 71 ASP H . 16009 1 896 . 1 1 73 73 ASP HA H 1 4.542 0.007 . 1 . . . . 71 ASP HA . 16009 1 897 . 1 1 73 73 ASP HB2 H 1 2.612 0.004 . 2 . . . . 71 ASP HB2 . 16009 1 898 . 1 1 73 73 ASP HB3 H 1 2.86 0.009 . 2 . . . . 71 ASP HB3 . 16009 1 899 . 1 1 73 73 ASP C C 13 177.051 0.036 . 1 . . . . 71 ASP C . 16009 1 900 . 1 1 73 73 ASP CA C 13 52.532 0.067 . 1 . . . . 71 ASP CA . 16009 1 901 . 1 1 73 73 ASP CB C 13 40.202 0.029 . 1 . . . . 71 ASP CB . 16009 1 902 . 1 1 73 73 ASP N N 15 110.084 0.035 . 1 . . . . 71 ASP N . 16009 1 903 . 1 1 74 74 HIS H H 1 7.905 0.005 . 1 . . . . 72 HIS H . 16009 1 904 . 1 1 74 74 HIS HA H 1 4.301 0.008 . 1 . . . . 72 HIS HA . 16009 1 905 . 1 1 74 74 HIS HB2 H 1 3.235 0.008 . 2 . . . . 72 HIS HB2 . 16009 1 906 . 1 1 74 74 HIS HB3 H 1 3.547 0.005 . 2 . . . . 72 HIS HB3 . 16009 1 907 . 1 1 74 74 HIS HD2 H 1 6.723 0.003 . 1 . . . . 72 HIS HD2 . 16009 1 908 . 1 1 74 74 HIS HE1 H 1 7.962 0.003 . 1 . . . . 72 HIS HE1 . 16009 1 909 . 1 1 74 74 HIS C C 13 176.08 0.022 . 1 . . . . 72 HIS C . 16009 1 910 . 1 1 74 74 HIS CA C 13 58.077 0.031 . 1 . . . . 72 HIS CA . 16009 1 911 . 1 1 74 74 HIS CB C 13 28.496 0.074 . 1 . . . . 72 HIS CB . 16009 1 912 . 1 1 74 74 HIS CD2 C 13 121.288 0.014 . 1 . . . . 72 HIS CD2 . 16009 1 913 . 1 1 74 74 HIS CE1 C 13 137.532 0.003 . 1 . . . . 72 HIS CE1 . 16009 1 914 . 1 1 74 74 HIS N N 15 120.321 0.031 . 1 . . . . 72 HIS N . 16009 1 915 . 1 1 75 75 LYS H H 1 9.426 0.011 . 1 . . . . 73 LYS H . 16009 1 916 . 1 1 75 75 LYS HA H 1 4.941 0.003 . 1 . . . . 73 LYS HA . 16009 1 917 . 1 1 75 75 LYS HB2 H 1 1.096 0.005 . 2 . . . . 73 LYS HB2 . 16009 1 918 . 1 1 75 75 LYS HB3 H 1 1.717 0.012 . 2 . . . . 73 LYS HB3 . 16009 1 919 . 1 1 75 75 LYS HE2 H 1 2.912 0.002 . 1 . . . . 73 LYS HE2 . 16009 1 920 . 1 1 75 75 LYS HE3 H 1 2.912 0.002 . 1 . . . . 73 LYS HE3 . 16009 1 921 . 1 1 75 75 LYS HG2 H 1 1.574 0.002 . 1 . . . . 73 LYS HG2 . 16009 1 922 . 1 1 75 75 LYS HG3 H 1 1.574 0.002 . 1 . . . . 73 LYS HG3 . 16009 1 923 . 1 1 75 75 LYS C C 13 178.158 0.03 . 1 . . . . 73 LYS C . 16009 1 924 . 1 1 75 75 LYS CA C 13 57.167 0.047 . 1 . . . . 73 LYS CA . 16009 1 925 . 1 1 75 75 LYS CB C 13 34.077 0.048 . 1 . . . . 73 LYS CB . 16009 1 926 . 1 1 75 75 LYS CD C 13 29.493 0.022 . 1 . . . . 73 LYS CD . 16009 1 927 . 1 1 75 75 LYS CE C 13 42.282 0.066 . 1 . . . . 73 LYS CE . 16009 1 928 . 1 1 75 75 LYS CG C 13 26.212 0.02 . 1 . . . . 73 LYS CG . 16009 1 929 . 1 1 75 75 LYS N N 15 129.62 0.058 . 1 . . . . 73 LYS N . 16009 1 930 . 1 1 76 76 PHE H H 1 9.065 0.006 . 1 . . . . 74 PHE H . 16009 1 931 . 1 1 76 76 PHE HA H 1 5.05 0.008 . 1 . . . . 74 PHE HA . 16009 1 932 . 1 1 76 76 PHE HB2 H 1 2.585 0.008 . 2 . . . . 74 PHE HB2 . 16009 1 933 . 1 1 76 76 PHE HB3 H 1 2.878 0.003 . 2 . . . . 74 PHE HB3 . 16009 1 934 . 1 1 76 76 PHE HD1 H 1 7.228 0.001 . 3 . . . . 74 PHE HD1 . 16009 1 935 . 1 1 76 76 PHE HD2 H 1 7.228 0.001 . 3 . . . . 74 PHE HD2 . 16009 1 936 . 1 1 76 76 PHE HE1 H 1 6.816 0 . 3 . . . . 74 PHE HE1 . 16009 1 937 . 1 1 76 76 PHE HE2 H 1 6.816 0 . 3 . . . . 74 PHE HE2 . 16009 1 938 . 1 1 76 76 PHE C C 13 173.66 0.023 . 1 . . . . 74 PHE C . 16009 1 939 . 1 1 76 76 PHE CA C 13 56.832 0.057 . 1 . . . . 74 PHE CA . 16009 1 940 . 1 1 76 76 PHE CB C 13 45.691 0.067 . 1 . . . . 74 PHE CB . 16009 1 941 . 1 1 76 76 PHE CD1 C 13 133.045 0.011 . 3 . . . . 74 PHE CD1 . 16009 1 942 . 1 1 76 76 PHE CD2 C 13 133.045 0.011 . 3 . . . . 74 PHE CD2 . 16009 1 943 . 1 1 76 76 PHE N N 15 122.901 0.056 . 1 . . . . 74 PHE N . 16009 1 944 . 1 1 77 77 MET H H 1 8.344 0.005 . 1 . . . . 75 MET H . 16009 1 945 . 1 1 77 77 MET HA H 1 5.35 0.006 . 1 . . . . 75 MET HA . 16009 1 946 . 1 1 77 77 MET HB2 H 1 1.675 0.006 . 2 . . . . 75 MET HB2 . 16009 1 947 . 1 1 77 77 MET HB3 H 1 2.126 0.013 . 2 . . . . 75 MET HB3 . 16009 1 948 . 1 1 77 77 MET HE1 H 1 1.943 0.001 . 1 . . . . 75 MET HE1 . 16009 1 949 . 1 1 77 77 MET HE2 H 1 1.943 0.001 . 1 . . . . 75 MET HE2 . 16009 1 950 . 1 1 77 77 MET HE3 H 1 1.943 0.001 . 1 . . . . 75 MET HE3 . 16009 1 951 . 1 1 77 77 MET HG2 H 1 2.371 0.003 . 2 . . . . 75 MET HG2 . 16009 1 952 . 1 1 77 77 MET HG3 H 1 2.855 0.003 . 2 . . . . 75 MET HG3 . 16009 1 953 . 1 1 77 77 MET C C 13 177.812 0.01 . 1 . . . . 75 MET C . 16009 1 954 . 1 1 77 77 MET CA C 13 55.47 0.05 . 1 . . . . 75 MET CA . 16009 1 955 . 1 1 77 77 MET CB C 13 35.407 0.038 . 1 . . . . 75 MET CB . 16009 1 956 . 1 1 77 77 MET CE C 13 17.671 0.014 . 1 . . . . 75 MET CE . 16009 1 957 . 1 1 77 77 MET CG C 13 32.029 0.04 . 1 . . . . 75 MET CG . 16009 1 958 . 1 1 77 77 MET N N 15 118.408 0.047 . 1 . . . . 75 MET N . 16009 1 959 . 1 1 78 78 THR H H 1 9.312 0.006 . 1 . . . . 76 THR H . 16009 1 960 . 1 1 78 78 THR HA H 1 5.051 0.008 . 1 . . . . 76 THR HA . 16009 1 961 . 1 1 78 78 THR HB H 1 4.644 0.004 . 1 . . . . 76 THR HB . 16009 1 962 . 1 1 78 78 THR HG21 H 1 1.151 0.003 . 1 . . . . 76 THR HG21 . 16009 1 963 . 1 1 78 78 THR HG22 H 1 1.151 0.003 . 1 . . . . 76 THR HG22 . 16009 1 964 . 1 1 78 78 THR HG23 H 1 1.151 0.003 . 1 . . . . 76 THR HG23 . 16009 1 965 . 1 1 78 78 THR C C 13 176.895 0.048 . 1 . . . . 76 THR C . 16009 1 966 . 1 1 78 78 THR CA C 13 60.955 0.054 . 1 . . . . 76 THR CA . 16009 1 967 . 1 1 78 78 THR CB C 13 71.032 0.12 . 1 . . . . 76 THR CB . 16009 1 968 . 1 1 78 78 THR CG2 C 13 22.714 0.004 . 1 . . . . 76 THR CG2 . 16009 1 969 . 1 1 78 78 THR N N 15 119.26 0.027 . 1 . . . . 76 THR N . 16009 1 970 . 1 1 79 79 VAL H H 1 8.301 0.01 . 1 . . . . 77 VAL H . 16009 1 971 . 1 1 79 79 VAL HA H 1 3.829 0.005 . 1 . . . . 77 VAL HA . 16009 1 972 . 1 1 79 79 VAL HB H 1 1.991 0.006 . 1 . . . . 77 VAL HB . 16009 1 973 . 1 1 79 79 VAL HG11 H 1 1.015 0.002 . 1 . . . . 77 VAL HG11 . 16009 1 974 . 1 1 79 79 VAL HG12 H 1 1.015 0.002 . 1 . . . . 77 VAL HG12 . 16009 1 975 . 1 1 79 79 VAL HG13 H 1 1.015 0.002 . 1 . . . . 77 VAL HG13 . 16009 1 976 . 1 1 79 79 VAL HG21 H 1 1.04 0.001 . 1 . . . . 77 VAL HG21 . 16009 1 977 . 1 1 79 79 VAL HG22 H 1 1.04 0.001 . 1 . . . . 77 VAL HG22 . 16009 1 978 . 1 1 79 79 VAL HG23 H 1 1.04 0.001 . 1 . . . . 77 VAL HG23 . 16009 1 979 . 1 1 79 79 VAL C C 13 175.181 0.021 . 1 . . . . 77 VAL C . 16009 1 980 . 1 1 79 79 VAL CA C 13 65.021 0.049 . 1 . . . . 77 VAL CA . 16009 1 981 . 1 1 79 79 VAL CB C 13 32.197 0.074 . 1 . . . . 77 VAL CB . 16009 1 982 . 1 1 79 79 VAL CG1 C 13 21.183 0.018 . 1 . . . . 77 VAL CG1 . 16009 1 983 . 1 1 79 79 VAL CG2 C 13 21.703 0.003 . 1 . . . . 77 VAL CG2 . 16009 1 984 . 1 1 79 79 VAL N N 15 118.867 0.063 . 1 . . . . 77 VAL N . 16009 1 985 . 1 1 80 80 ASP H H 1 8.243 0.016 . 1 . . . . 78 ASP H . 16009 1 986 . 1 1 80 80 ASP HA H 1 4.612 0.011 . 1 . . . . 78 ASP HA . 16009 1 987 . 1 1 80 80 ASP HB2 H 1 2.721 0.005 . 2 . . . . 78 ASP HB2 . 16009 1 988 . 1 1 80 80 ASP HB3 H 1 2.899 0.013 . 2 . . . . 78 ASP HB3 . 16009 1 989 . 1 1 80 80 ASP C C 13 176.39 0.013 . 1 . . . . 78 ASP C . 16009 1 990 . 1 1 80 80 ASP CA C 13 53.601 0.045 . 1 . . . . 78 ASP CA . 16009 1 991 . 1 1 80 80 ASP CB C 13 39.888 0.045 . 1 . . . . 78 ASP CB . 16009 1 992 . 1 1 80 80 ASP N N 15 117.337 0.094 . 1 . . . . 78 ASP N . 16009 1 993 . 1 1 81 81 GLY H H 1 8.328 0.009 . 1 . . . . 79 GLY H . 16009 1 994 . 1 1 81 81 GLY HA2 H 1 3.605 0.009 . 2 . . . . 79 GLY HA2 . 16009 1 995 . 1 1 81 81 GLY HA3 H 1 4.157 0.006 . 2 . . . . 79 GLY HA3 . 16009 1 996 . 1 1 81 81 GLY C C 13 174.435 0.005 . 1 . . . . 79 GLY C . 16009 1 997 . 1 1 81 81 GLY CA C 13 45.849 0.042 . 1 . . . . 79 GLY CA . 16009 1 998 . 1 1 81 81 GLY N N 15 108.097 0.045 . 1 . . . . 79 GLY N . 16009 1 999 . 1 1 82 82 GLN H H 1 7.322 0.005 . 1 . . . . 80 GLN H . 16009 1 1000 . 1 1 82 82 GLN HA H 1 4.318 0.007 . 1 . . . . 80 GLN HA . 16009 1 1001 . 1 1 82 82 GLN HB2 H 1 1.906 0.013 . 2 . . . . 80 GLN HB2 . 16009 1 1002 . 1 1 82 82 GLN HB3 H 1 2.047 0.001 . 2 . . . . 80 GLN HB3 . 16009 1 1003 . 1 1 82 82 GLN HE21 H 1 8.136 0.004 . 1 . . . . 80 GLN HE21 . 16009 1 1004 . 1 1 82 82 GLN HE22 H 1 6.667 0.017 . 1 . . . . 80 GLN HE22 . 16009 1 1005 . 1 1 82 82 GLN HG2 H 1 2.043 0.008 . 2 . . . . 80 GLN HG2 . 16009 1 1006 . 1 1 82 82 GLN HG3 H 1 2.295 0.005 . 2 . . . . 80 GLN HG3 . 16009 1 1007 . 1 1 82 82 GLN C C 13 174.383 0.009 . 1 . . . . 80 GLN C . 16009 1 1008 . 1 1 82 82 GLN CA C 13 55.662 0.035 . 1 . . . . 80 GLN CA . 16009 1 1009 . 1 1 82 82 GLN CB C 13 30.802 0.022 . 1 . . . . 80 GLN CB . 16009 1 1010 . 1 1 82 82 GLN CG C 13 34.947 0.109 . 1 . . . . 80 GLN CG . 16009 1 1011 . 1 1 82 82 GLN N N 15 117.797 0.037 . 1 . . . . 80 GLN N . 16009 1 1012 . 1 1 82 82 GLN NE2 N 15 113.234 0.084 . 1 . . . . 80 GLN NE2 . 16009 1 1013 . 1 1 83 83 MET H H 1 8.584 0.01 . 1 . . . . 81 MET H . 16009 1 1014 . 1 1 83 83 MET HA H 1 4.981 0.003 . 1 . . . . 81 MET HA . 16009 1 1015 . 1 1 83 83 MET HB2 H 1 1.552 0.003 . 2 . . . . 81 MET HB2 . 16009 1 1016 . 1 1 83 83 MET HB3 H 1 2.108 0.014 . 2 . . . . 81 MET HB3 . 16009 1 1017 . 1 1 83 83 MET HE1 H 1 2.101 0.001 . 1 . . . . 81 MET HE1 . 16009 1 1018 . 1 1 83 83 MET HE2 H 1 2.101 0.001 . 1 . . . . 81 MET HE2 . 16009 1 1019 . 1 1 83 83 MET HE3 H 1 2.101 0.001 . 1 . . . . 81 MET HE3 . 16009 1 1020 . 1 1 83 83 MET HG2 H 1 2.521 0.001 . 2 . . . . 81 MET HG2 . 16009 1 1021 . 1 1 83 83 MET HG3 H 1 2.608 0.002 . 2 . . . . 81 MET HG3 . 16009 1 1022 . 1 1 83 83 MET C C 13 174.761 0.028 . 1 . . . . 81 MET C . 16009 1 1023 . 1 1 83 83 MET CA C 13 53.627 0.036 . 1 . . . . 81 MET CA . 16009 1 1024 . 1 1 83 83 MET CB C 13 32.807 0.055 . 1 . . . . 81 MET CB . 16009 1 1025 . 1 1 83 83 MET CE C 13 18.103 0.003 . 1 . . . . 81 MET CE . 16009 1 1026 . 1 1 83 83 MET CG C 13 32.465 0.033 . 1 . . . . 81 MET CG . 16009 1 1027 . 1 1 83 83 MET N N 15 119.793 0.052 . 1 . . . . 81 MET N . 16009 1 1028 . 1 1 84 84 LEU H H 1 8.292 0.004 . 1 . . . . 82 LEU H . 16009 1 1029 . 1 1 84 84 LEU HA H 1 5.068 0.005 . 1 . . . . 82 LEU HA . 16009 1 1030 . 1 1 84 84 LEU HB2 H 1 1.297 0.002 . 1 . . . . 82 LEU HB2 . 16009 1 1031 . 1 1 84 84 LEU HB3 H 1 1.299 0.005 . 1 . . . . 82 LEU HB3 . 16009 1 1032 . 1 1 84 84 LEU HD11 H 1 0.67 0.001 . 1 . . . . 82 LEU HD11 . 16009 1 1033 . 1 1 84 84 LEU HD12 H 1 0.67 0.001 . 1 . . . . 82 LEU HD12 . 16009 1 1034 . 1 1 84 84 LEU HD13 H 1 0.67 0.001 . 1 . . . . 82 LEU HD13 . 16009 1 1035 . 1 1 84 84 LEU HD21 H 1 0.901 0.003 . 1 . . . . 82 LEU HD21 . 16009 1 1036 . 1 1 84 84 LEU HD22 H 1 0.901 0.003 . 1 . . . . 82 LEU HD22 . 16009 1 1037 . 1 1 84 84 LEU HD23 H 1 0.901 0.003 . 1 . . . . 82 LEU HD23 . 16009 1 1038 . 1 1 84 84 LEU HG H 1 1.374 0.004 . 1 . . . . 82 LEU HG . 16009 1 1039 . 1 1 84 84 LEU C C 13 173.67 0 . 1 . . . . 82 LEU C . 16009 1 1040 . 1 1 84 84 LEU CA C 13 51.328 0.044 . 1 . . . . 82 LEU CA . 16009 1 1041 . 1 1 84 84 LEU CB C 13 45.668 0.03 . 1 . . . . 82 LEU CB . 16009 1 1042 . 1 1 84 84 LEU CD1 C 13 26.08 0.08 . 1 . . . . 82 LEU CD1 . 16009 1 1043 . 1 1 84 84 LEU CD2 C 13 22.787 0.009 . 1 . . . . 82 LEU CD2 . 16009 1 1044 . 1 1 84 84 LEU CG C 13 26.797 0.097 . 1 . . . . 82 LEU CG . 16009 1 1045 . 1 1 84 84 LEU N N 15 122.885 0.022 . 1 . . . . 82 LEU N . 16009 1 1046 . 1 1 85 85 PRO HA H 1 4.053 0.011 . 1 . . . . 83 PRO HA . 16009 1 1047 . 1 1 85 85 PRO HB2 H 1 2.008 0.004 . 2 . . . . 83 PRO HB2 . 16009 1 1048 . 1 1 85 85 PRO HB3 H 1 2.501 0.01 . 2 . . . . 83 PRO HB3 . 16009 1 1049 . 1 1 85 85 PRO HD2 H 1 3.801 0.002 . 1 . . . . 83 PRO HD2 . 16009 1 1050 . 1 1 85 85 PRO HD3 H 1 3.801 0.002 . 1 . . . . 83 PRO HD3 . 16009 1 1051 . 1 1 85 85 PRO HG2 H 1 1.998 0.001 . 2 . . . . 83 PRO HG2 . 16009 1 1052 . 1 1 85 85 PRO HG3 H 1 2.321 0.001 . 2 . . . . 83 PRO HG3 . 16009 1 1053 . 1 1 85 85 PRO C C 13 178.068 0.021 . 1 . . . . 83 PRO C . 16009 1 1054 . 1 1 85 85 PRO CA C 13 63.065 0.046 . 1 . . . . 83 PRO CA . 16009 1 1055 . 1 1 85 85 PRO CB C 13 33.016 0.053 . 1 . . . . 83 PRO CB . 16009 1 1056 . 1 1 85 85 PRO CD C 13 50.75 0.061 . 1 . . . . 83 PRO CD . 16009 1 1057 . 1 1 85 85 PRO CG C 13 28.12 0.031 . 1 . . . . 83 PRO CG . 16009 1 1058 . 1 1 86 86 ILE H H 1 8.934 0.007 . 1 . . . . 84 ILE H . 16009 1 1059 . 1 1 86 86 ILE HA H 1 3.829 0.01 . 1 . . . . 84 ILE HA . 16009 1 1060 . 1 1 86 86 ILE HB H 1 1.96 0.009 . 1 . . . . 84 ILE HB . 16009 1 1061 . 1 1 86 86 ILE HD11 H 1 -0.174 0.004 . 1 . . . . 84 ILE HD11 . 16009 1 1062 . 1 1 86 86 ILE HD12 H 1 -0.174 0.004 . 1 . . . . 84 ILE HD12 . 16009 1 1063 . 1 1 86 86 ILE HD13 H 1 -0.174 0.004 . 1 . . . . 84 ILE HD13 . 16009 1 1064 . 1 1 86 86 ILE HG12 H 1 -0.299 0.005 . 2 . . . . 84 ILE HG12 . 16009 1 1065 . 1 1 86 86 ILE HG13 H 1 0.364 0.004 . 2 . . . . 84 ILE HG13 . 16009 1 1066 . 1 1 86 86 ILE HG21 H 1 0.976 0.006 . 1 . . . . 84 ILE HG21 . 16009 1 1067 . 1 1 86 86 ILE HG22 H 1 0.976 0.006 . 1 . . . . 84 ILE HG22 . 16009 1 1068 . 1 1 86 86 ILE HG23 H 1 0.976 0.006 . 1 . . . . 84 ILE HG23 . 16009 1 1069 . 1 1 86 86 ILE C C 13 175.402 0.016 . 1 . . . . 84 ILE C . 16009 1 1070 . 1 1 86 86 ILE CA C 13 63.699 0.06 . 1 . . . . 84 ILE CA . 16009 1 1071 . 1 1 86 86 ILE CB C 13 37.364 0.07 . 1 . . . . 84 ILE CB . 16009 1 1072 . 1 1 86 86 ILE CD1 C 13 14.546 0.071 . 1 . . . . 84 ILE CD1 . 16009 1 1073 . 1 1 86 86 ILE CG1 C 13 28.399 0.044 . 1 . . . . 84 ILE CG1 . 16009 1 1074 . 1 1 86 86 ILE CG2 C 13 16.973 0.078 . 1 . . . . 84 ILE CG2 . 16009 1 1075 . 1 1 86 86 ILE N N 15 126.319 0.036 . 1 . . . . 84 ILE N . 16009 1 1076 . 1 1 87 87 ASP H H 1 7.718 0.004 . 1 . . . . 85 ASP H . 16009 1 1077 . 1 1 87 87 ASP HA H 1 4.634 0.003 . 1 . . . . 85 ASP HA . 16009 1 1078 . 1 1 87 87 ASP HB2 H 1 2.43 0.005 . 2 . . . . 85 ASP HB2 . 16009 1 1079 . 1 1 87 87 ASP HB3 H 1 2.875 0.008 . 2 . . . . 85 ASP HB3 . 16009 1 1080 . 1 1 87 87 ASP C C 13 177.996 0.005 . 1 . . . . 85 ASP C . 16009 1 1081 . 1 1 87 87 ASP CA C 13 58.599 0.056 . 1 . . . . 85 ASP CA . 16009 1 1082 . 1 1 87 87 ASP CB C 13 42.526 0.054 . 1 . . . . 85 ASP CB . 16009 1 1083 . 1 1 87 87 ASP N N 15 119.849 0.033 . 1 . . . . 85 ASP N . 16009 1 1084 . 1 1 88 88 GLU H H 1 7.1 0.003 . 1 . . . . 86 GLU H . 16009 1 1085 . 1 1 88 88 GLU HA H 1 4.128 0.007 . 1 . . . . 86 GLU HA . 16009 1 1086 . 1 1 88 88 GLU HB2 H 1 2.078 0.004 . 1 . . . . 86 GLU HB2 . 16009 1 1087 . 1 1 88 88 GLU HB3 H 1 2.081 0.002 . 1 . . . . 86 GLU HB3 . 16009 1 1088 . 1 1 88 88 GLU HG2 H 1 2.036 0.001 . 2 . . . . 86 GLU HG2 . 16009 1 1089 . 1 1 88 88 GLU HG3 H 1 2.338 0.014 . 2 . . . . 86 GLU HG3 . 16009 1 1090 . 1 1 88 88 GLU C C 13 178.077 0.029 . 1 . . . . 86 GLU C . 16009 1 1091 . 1 1 88 88 GLU CA C 13 58.733 0.037 . 1 . . . . 86 GLU CA . 16009 1 1092 . 1 1 88 88 GLU CB C 13 29.721 0.102 . 1 . . . . 86 GLU CB . 16009 1 1093 . 1 1 88 88 GLU CG C 13 36.546 0.059 . 1 . . . . 86 GLU CG . 16009 1 1094 . 1 1 88 88 GLU N N 15 117.137 0.025 . 1 . . . . 86 GLU N . 16009 1 1095 . 1 1 89 89 ILE H H 1 7.649 0.004 . 1 . . . . 87 ILE H . 16009 1 1096 . 1 1 89 89 ILE HA H 1 3.29 0.005 . 1 . . . . 87 ILE HA . 16009 1 1097 . 1 1 89 89 ILE HB H 1 1.918 0.007 . 1 . . . . 87 ILE HB . 16009 1 1098 . 1 1 89 89 ILE HD11 H 1 0.779 0.002 . 1 . . . . 87 ILE HD11 . 16009 1 1099 . 1 1 89 89 ILE HD12 H 1 0.779 0.002 . 1 . . . . 87 ILE HD12 . 16009 1 1100 . 1 1 89 89 ILE HD13 H 1 0.779 0.002 . 1 . . . . 87 ILE HD13 . 16009 1 1101 . 1 1 89 89 ILE HG12 H 1 0.556 0.004 . 2 . . . . 87 ILE HG12 . 16009 1 1102 . 1 1 89 89 ILE HG13 H 1 1.67 0.007 . 2 . . . . 87 ILE HG13 . 16009 1 1103 . 1 1 89 89 ILE HG21 H 1 0.795 0.006 . 1 . . . . 87 ILE HG21 . 16009 1 1104 . 1 1 89 89 ILE HG22 H 1 0.795 0.006 . 1 . . . . 87 ILE HG22 . 16009 1 1105 . 1 1 89 89 ILE HG23 H 1 0.795 0.006 . 1 . . . . 87 ILE HG23 . 16009 1 1106 . 1 1 89 89 ILE C C 13 177.971 0.035 . 1 . . . . 87 ILE C . 16009 1 1107 . 1 1 89 89 ILE CA C 13 66.444 0.026 . 1 . . . . 87 ILE CA . 16009 1 1108 . 1 1 89 89 ILE CB C 13 38.093 0.072 . 1 . . . . 87 ILE CB . 16009 1 1109 . 1 1 89 89 ILE CD1 C 13 14.892 0.11 . 1 . . . . 87 ILE CD1 . 16009 1 1110 . 1 1 89 89 ILE CG1 C 13 30.179 0.068 . 1 . . . . 87 ILE CG1 . 16009 1 1111 . 1 1 89 89 ILE CG2 C 13 17.32 0.108 . 1 . . . . 87 ILE CG2 . 16009 1 1112 . 1 1 89 89 ILE N N 15 121.086 0.041 . 1 . . . . 87 ILE N . 16009 1 1113 . 1 1 90 90 PHE H H 1 8.13 0.004 . 1 . . . . 88 PHE H . 16009 1 1114 . 1 1 90 90 PHE HA H 1 4.515 0.004 . 1 . . . . 88 PHE HA . 16009 1 1115 . 1 1 90 90 PHE HB2 H 1 3.243 0.018 . 2 . . . . 88 PHE HB2 . 16009 1 1116 . 1 1 90 90 PHE HB3 H 1 3.368 0.008 . 2 . . . . 88 PHE HB3 . 16009 1 1117 . 1 1 90 90 PHE HD1 H 1 7.172 0.004 . 3 . . . . 88 PHE HD1 . 16009 1 1118 . 1 1 90 90 PHE HD2 H 1 7.172 0.004 . 3 . . . . 88 PHE HD2 . 16009 1 1119 . 1 1 90 90 PHE HE1 H 1 7.113 0 . 3 . . . . 88 PHE HE1 . 16009 1 1120 . 1 1 90 90 PHE HE2 H 1 7.113 0 . 3 . . . . 88 PHE HE2 . 16009 1 1121 . 1 1 90 90 PHE C C 13 178.886 0.012 . 1 . . . . 88 PHE C . 16009 1 1122 . 1 1 90 90 PHE CA C 13 59.647 0.05 . 1 . . . . 88 PHE CA . 16009 1 1123 . 1 1 90 90 PHE CB C 13 38.713 0.032 . 1 . . . . 88 PHE CB . 16009 1 1124 . 1 1 90 90 PHE CD1 C 13 131.754 0.05 . 3 . . . . 88 PHE CD1 . 16009 1 1125 . 1 1 90 90 PHE CD2 C 13 131.754 0.05 . 3 . . . . 88 PHE CD2 . 16009 1 1126 . 1 1 90 90 PHE N N 15 116.562 0.04 . 1 . . . . 88 PHE N . 16009 1 1127 . 1 1 91 91 GLU H H 1 8.612 0.01 . 1 . . . . 89 GLU H . 16009 1 1128 . 1 1 91 91 GLU HA H 1 3.453 0.004 . 1 . . . . 89 GLU HA . 16009 1 1129 . 1 1 91 91 GLU HB2 H 1 1.974 0.001 . 2 . . . . 89 GLU HB2 . 16009 1 1130 . 1 1 91 91 GLU HB3 H 1 2.088 0.002 . 2 . . . . 89 GLU HB3 . 16009 1 1131 . 1 1 91 91 GLU HG2 H 1 2.222 0.007 . 2 . . . . 89 GLU HG2 . 16009 1 1132 . 1 1 91 91 GLU HG3 H 1 2.583 0.008 . 2 . . . . 89 GLU HG3 . 16009 1 1133 . 1 1 91 91 GLU C C 13 178.5 0.034 . 1 . . . . 89 GLU C . 16009 1 1134 . 1 1 91 91 GLU CA C 13 59.861 0.085 . 1 . . . . 89 GLU CA . 16009 1 1135 . 1 1 91 91 GLU CB C 13 29.701 0.117 . 1 . . . . 89 GLU CB . 16009 1 1136 . 1 1 91 91 GLU CG C 13 36.711 0.018 . 1 . . . . 89 GLU CG . 16009 1 1137 . 1 1 91 91 GLU N N 15 121.63 0.022 . 1 . . . . 89 GLU N . 16009 1 1138 . 1 1 92 92 ARG H H 1 8.305 0.006 . 1 . . . . 90 ARG H . 16009 1 1139 . 1 1 92 92 ARG HA H 1 4.175 0.007 . 1 . . . . 90 ARG HA . 16009 1 1140 . 1 1 92 92 ARG HB2 H 1 1.573 0.007 . 2 . . . . 90 ARG HB2 . 16009 1 1141 . 1 1 92 92 ARG HB3 H 1 2.043 0.01 . 2 . . . . 90 ARG HB3 . 16009 1 1142 . 1 1 92 92 ARG HD2 H 1 3.009 0.001 . 2 . . . . 90 ARG HD2 . 16009 1 1143 . 1 1 92 92 ARG HD3 H 1 3.256 0.004 . 2 . . . . 90 ARG HD3 . 16009 1 1144 . 1 1 92 92 ARG HE H 1 7.465 0.001 . 1 . . . . 90 ARG HE . 16009 1 1145 . 1 1 92 92 ARG HG2 H 1 1.591 0.003 . 2 . . . . 90 ARG HG2 . 16009 1 1146 . 1 1 92 92 ARG HG3 H 1 1.899 0.005 . 2 . . . . 90 ARG HG3 . 16009 1 1147 . 1 1 92 92 ARG C C 13 174.478 0.009 . 1 . . . . 90 ARG C . 16009 1 1148 . 1 1 92 92 ARG CA C 13 56.412 0.037 . 1 . . . . 90 ARG CA . 16009 1 1149 . 1 1 92 92 ARG CB C 13 30.631 0.032 . 1 . . . . 90 ARG CB . 16009 1 1150 . 1 1 92 92 ARG CD C 13 44.683 0.039 . 1 . . . . 90 ARG CD . 16009 1 1151 . 1 1 92 92 ARG CG C 13 27.624 0.046 . 1 . . . . 90 ARG CG . 16009 1 1152 . 1 1 92 92 ARG N N 15 114.754 0.032 . 1 . . . . 90 ARG N . 16009 1 1153 . 1 1 92 92 ARG NE N 15 84.425 0.009 . 1 . . . . 90 ARG NE . 16009 1 1154 . 1 1 93 93 GLU H H 1 7.534 0.004 . 1 . . . . 91 GLU H . 16009 1 1155 . 1 1 93 93 GLU HA H 1 4.233 0.007 . 1 . . . . 91 GLU HA . 16009 1 1156 . 1 1 93 93 GLU HB2 H 1 2.003 0.012 . 2 . . . . 91 GLU HB2 . 16009 1 1157 . 1 1 93 93 GLU HB3 H 1 2.177 0.007 . 2 . . . . 91 GLU HB3 . 16009 1 1158 . 1 1 93 93 GLU HG2 H 1 1.995 0.002 . 2 . . . . 91 GLU HG2 . 16009 1 1159 . 1 1 93 93 GLU HG3 H 1 2.179 0.002 . 2 . . . . 91 GLU HG3 . 16009 1 1160 . 1 1 93 93 GLU C C 13 175.526 0.006 . 1 . . . . 91 GLU C . 16009 1 1161 . 1 1 93 93 GLU CA C 13 56.337 0.031 . 1 . . . . 91 GLU CA . 16009 1 1162 . 1 1 93 93 GLU CB C 13 26.719 0.083 . 1 . . . . 91 GLU CB . 16009 1 1163 . 1 1 93 93 GLU CG C 13 36.428 0.091 . 1 . . . . 91 GLU CG . 16009 1 1164 . 1 1 93 93 GLU N N 15 116.115 0.029 . 1 . . . . 91 GLU N . 16009 1 1165 . 1 1 94 94 LEU H H 1 7.881 0.006 . 1 . . . . 92 LEU H . 16009 1 1166 . 1 1 94 94 LEU HA H 1 4.498 0.01 . 1 . . . . 92 LEU HA . 16009 1 1167 . 1 1 94 94 LEU HB2 H 1 1.482 0.01 . 2 . . . . 92 LEU HB2 . 16009 1 1168 . 1 1 94 94 LEU HB3 H 1 1.639 0.003 . 2 . . . . 92 LEU HB3 . 16009 1 1169 . 1 1 94 94 LEU HD11 H 1 0.745 0.005 . 1 . . . . 92 LEU HD11 . 16009 1 1170 . 1 1 94 94 LEU HD12 H 1 0.745 0.005 . 1 . . . . 92 LEU HD12 . 16009 1 1171 . 1 1 94 94 LEU HD13 H 1 0.745 0.005 . 1 . . . . 92 LEU HD13 . 16009 1 1172 . 1 1 94 94 LEU HD21 H 1 0.777 0.004 . 1 . . . . 92 LEU HD21 . 16009 1 1173 . 1 1 94 94 LEU HD22 H 1 0.777 0.004 . 1 . . . . 92 LEU HD22 . 16009 1 1174 . 1 1 94 94 LEU HD23 H 1 0.777 0.004 . 1 . . . . 92 LEU HD23 . 16009 1 1175 . 1 1 94 94 LEU HG H 1 1.483 0.004 . 1 . . . . 92 LEU HG . 16009 1 1176 . 1 1 94 94 LEU C C 13 175.798 0.047 . 1 . . . . 92 LEU C . 16009 1 1177 . 1 1 94 94 LEU CA C 13 53.508 0.046 . 1 . . . . 92 LEU CA . 16009 1 1178 . 1 1 94 94 LEU CB C 13 43.131 0.042 . 1 . . . . 92 LEU CB . 16009 1 1179 . 1 1 94 94 LEU CD1 C 13 26.055 0.045 . 1 . . . . 92 LEU CD1 . 16009 1 1180 . 1 1 94 94 LEU CD2 C 13 21.753 0.053 . 1 . . . . 92 LEU CD2 . 16009 1 1181 . 1 1 94 94 LEU CG C 13 26.72 0.02 . 1 . . . . 92 LEU CG . 16009 1 1182 . 1 1 94 94 LEU N N 15 117.297 0.038 . 1 . . . . 92 LEU N . 16009 1 1183 . 1 1 95 95 ASP H H 1 8.339 0.015 . 1 . . . . 93 ASP H . 16009 1 1184 . 1 1 95 95 ASP HA H 1 4.671 0.008 . 1 . . . . 93 ASP HA . 16009 1 1185 . 1 1 95 95 ASP HB2 H 1 2.238 0.013 . 2 . . . . 93 ASP HB2 . 16009 1 1186 . 1 1 95 95 ASP HB3 H 1 2.472 0.01 . 2 . . . . 93 ASP HB3 . 16009 1 1187 . 1 1 95 95 ASP C C 13 176.747 0.014 . 1 . . . . 93 ASP C . 16009 1 1188 . 1 1 95 95 ASP CA C 13 53.863 0.038 . 1 . . . . 93 ASP CA . 16009 1 1189 . 1 1 95 95 ASP CB C 13 41.972 0.03 . 1 . . . . 93 ASP CB . 16009 1 1190 . 1 1 95 95 ASP N N 15 118.4 0.019 . 1 . . . . 93 ASP N . 16009 1 1191 . 1 1 96 96 LEU H H 1 8.756 0.008 . 1 . . . . 94 LEU H . 16009 1 1192 . 1 1 96 96 LEU HA H 1 4.365 0.006 . 1 . . . . 94 LEU HA . 16009 1 1193 . 1 1 96 96 LEU HB2 H 1 1.765 0.008 . 2 . . . . 94 LEU HB2 . 16009 1 1194 . 1 1 96 96 LEU HB3 H 1 1.942 0.007 . 2 . . . . 94 LEU HB3 . 16009 1 1195 . 1 1 96 96 LEU HD11 H 1 0.543 0.001 . 1 . . . . 94 LEU HD11 . 16009 1 1196 . 1 1 96 96 LEU HD12 H 1 0.543 0.001 . 1 . . . . 94 LEU HD12 . 16009 1 1197 . 1 1 96 96 LEU HD13 H 1 0.543 0.001 . 1 . . . . 94 LEU HD13 . 16009 1 1198 . 1 1 96 96 LEU HD21 H 1 0.688 0.002 . 1 . . . . 94 LEU HD21 . 16009 1 1199 . 1 1 96 96 LEU HD22 H 1 0.688 0.002 . 1 . . . . 94 LEU HD22 . 16009 1 1200 . 1 1 96 96 LEU HD23 H 1 0.688 0.002 . 1 . . . . 94 LEU HD23 . 16009 1 1201 . 1 1 96 96 LEU HG H 1 1.539 0.001 . 1 . . . . 94 LEU HG . 16009 1 1202 . 1 1 96 96 LEU C C 13 176.877 0.032 . 1 . . . . 94 LEU C . 16009 1 1203 . 1 1 96 96 LEU CA C 13 56.025 0.041 . 1 . . . . 94 LEU CA . 16009 1 1204 . 1 1 96 96 LEU CB C 13 42.194 0.064 . 1 . . . . 94 LEU CB . 16009 1 1205 . 1 1 96 96 LEU CD1 C 13 26.44 0.05 . 1 . . . . 94 LEU CD1 . 16009 1 1206 . 1 1 96 96 LEU CD2 C 13 26.082 0.001 . 1 . . . . 94 LEU CD2 . 16009 1 1207 . 1 1 96 96 LEU CG C 13 29.071 0.001 . 1 . . . . 94 LEU CG . 16009 1 1208 . 1 1 96 96 LEU N N 15 123.994 0.042 . 1 . . . . 94 LEU N . 16009 1 1209 . 1 1 97 97 MET H H 1 8.27 0.007 . 1 . . . . 95 MET H . 16009 1 1210 . 1 1 97 97 MET HA H 1 4.183 0.012 . 1 . . . . 95 MET HA . 16009 1 1211 . 1 1 97 97 MET HB2 H 1 1.687 0.002 . 1 . . . . 95 MET HB2 . 16009 1 1212 . 1 1 97 97 MET HB3 H 1 1.686 0.001 . 1 . . . . 95 MET HB3 . 16009 1 1213 . 1 1 97 97 MET HE1 H 1 2.116 0 . 1 . . . . 95 MET HE1 . 16009 1 1214 . 1 1 97 97 MET HE2 H 1 2.116 0 . 1 . . . . 95 MET HE2 . 16009 1 1215 . 1 1 97 97 MET HE3 H 1 2.116 0 . 1 . . . . 95 MET HE3 . 16009 1 1216 . 1 1 97 97 MET HG2 H 1 2.42 0.003 . 2 . . . . 95 MET HG2 . 16009 1 1217 . 1 1 97 97 MET HG3 H 1 2.49 0.005 . 2 . . . . 95 MET HG3 . 16009 1 1218 . 1 1 97 97 MET C C 13 175.113 0.046 . 1 . . . . 95 MET C . 16009 1 1219 . 1 1 97 97 MET CA C 13 55.504 0.057 . 1 . . . . 95 MET CA . 16009 1 1220 . 1 1 97 97 MET CB C 13 33.734 0.02 . 1 . . . . 95 MET CB . 16009 1 1221 . 1 1 97 97 MET CE C 13 17.838 0.016 . 1 . . . . 95 MET CE . 16009 1 1222 . 1 1 97 97 MET CG C 13 32.464 0.034 . 1 . . . . 95 MET CG . 16009 1 1223 . 1 1 97 97 MET N N 15 121.478 0.046 . 1 . . . . 95 MET N . 16009 1 1224 . 1 1 98 98 ARG H H 1 8.361 0.01 . 1 . . . . 96 ARG H . 16009 1 1225 . 1 1 98 98 ARG HA H 1 5.08 0.01 . 1 . . . . 96 ARG HA . 16009 1 1226 . 1 1 98 98 ARG HB2 H 1 1.388 0.011 . 2 . . . . 96 ARG HB2 . 16009 1 1227 . 1 1 98 98 ARG HB3 H 1 1.678 0.005 . 2 . . . . 96 ARG HB3 . 16009 1 1228 . 1 1 98 98 ARG HD2 H 1 2.814 0.005 . 2 . . . . 96 ARG HD2 . 16009 1 1229 . 1 1 98 98 ARG HD3 H 1 3.074 0.004 . 2 . . . . 96 ARG HD3 . 16009 1 1230 . 1 1 98 98 ARG HE H 1 6.171 0.004 . 1 . . . . 96 ARG HE . 16009 1 1231 . 1 1 98 98 ARG HG2 H 1 1.067 0.004 . 2 . . . . 96 ARG HG2 . 16009 1 1232 . 1 1 98 98 ARG HG3 H 1 1.444 0.003 . 2 . . . . 96 ARG HG3 . 16009 1 1233 . 1 1 98 98 ARG C C 13 176.839 0.049 . 1 . . . . 96 ARG C . 16009 1 1234 . 1 1 98 98 ARG CA C 13 54.482 0.047 . 1 . . . . 96 ARG CA . 16009 1 1235 . 1 1 98 98 ARG CB C 13 36.374 0.031 . 1 . . . . 96 ARG CB . 16009 1 1236 . 1 1 98 98 ARG CD C 13 44.638 0.033 . 1 . . . . 96 ARG CD . 16009 1 1237 . 1 1 98 98 ARG CG C 13 27.262 0.046 . 1 . . . . 96 ARG CG . 16009 1 1238 . 1 1 98 98 ARG N N 15 123.127 0.075 . 1 . . . . 96 ARG N . 16009 1 1239 . 1 1 98 98 ARG NE N 15 84.012 0.012 . 1 . . . . 96 ARG NE . 16009 1 1240 . 1 1 99 99 VAL H H 1 8.268 0.006 . 1 . . . . 97 VAL H . 16009 1 1241 . 1 1 99 99 VAL HA H 1 4.264 0.011 . 1 . . . . 97 VAL HA . 16009 1 1242 . 1 1 99 99 VAL HB H 1 2.205 0.011 . 1 . . . . 97 VAL HB . 16009 1 1243 . 1 1 99 99 VAL HG11 H 1 0.783 0.005 . 1 . . . . 97 VAL HG11 . 16009 1 1244 . 1 1 99 99 VAL HG12 H 1 0.783 0.005 . 1 . . . . 97 VAL HG12 . 16009 1 1245 . 1 1 99 99 VAL HG13 H 1 0.783 0.005 . 1 . . . . 97 VAL HG13 . 16009 1 1246 . 1 1 99 99 VAL HG21 H 1 0.701 0.012 . 1 . . . . 97 VAL HG21 . 16009 1 1247 . 1 1 99 99 VAL HG22 H 1 0.701 0.012 . 1 . . . . 97 VAL HG22 . 16009 1 1248 . 1 1 99 99 VAL HG23 H 1 0.701 0.012 . 1 . . . . 97 VAL HG23 . 16009 1 1249 . 1 1 99 99 VAL C C 13 174.441 0.01 . 1 . . . . 97 VAL C . 16009 1 1250 . 1 1 99 99 VAL CA C 13 61.356 0.069 . 1 . . . . 97 VAL CA . 16009 1 1251 . 1 1 99 99 VAL CB C 13 32.123 0.05 . 1 . . . . 97 VAL CB . 16009 1 1252 . 1 1 99 99 VAL CG1 C 13 22.085 0.089 . 1 . . . . 97 VAL CG1 . 16009 1 1253 . 1 1 99 99 VAL CG2 C 13 18.316 0.055 . 1 . . . . 97 VAL CG2 . 16009 1 1254 . 1 1 99 99 VAL N N 15 115.171 0.025 . 1 . . . . 97 VAL N . 16009 1 1255 . 1 1 100 100 ASP H H 1 8.056 0.008 . 1 . . . . 98 ASP H . 16009 1 1256 . 1 1 100 100 ASP HA H 1 4.215 0.006 . 1 . . . . 98 ASP HA . 16009 1 1257 . 1 1 100 100 ASP HB2 H 1 2.513 0.01 . 2 . . . . 98 ASP HB2 . 16009 1 1258 . 1 1 100 100 ASP HB3 H 1 2.753 0.006 . 2 . . . . 98 ASP HB3 . 16009 1 1259 . 1 1 100 100 ASP C C 13 175.026 0.023 . 1 . . . . 98 ASP C . 16009 1 1260 . 1 1 100 100 ASP CA C 13 55.078 0.043 . 1 . . . . 98 ASP CA . 16009 1 1261 . 1 1 100 100 ASP CB C 13 39.591 0.064 . 1 . . . . 98 ASP CB . 16009 1 1262 . 1 1 100 100 ASP N N 15 114.514 0.042 . 1 . . . . 98 ASP N . 16009 1 1263 . 1 1 101 101 ASN H H 1 8.553 0.006 . 1 . . . . 99 ASN H . 16009 1 1264 . 1 1 101 101 ASN HA H 1 4.316 0.006 . 1 . . . . 99 ASN HA . 16009 1 1265 . 1 1 101 101 ASN HB2 H 1 2.732 0.005 . 2 . . . . 99 ASN HB2 . 16009 1 1266 . 1 1 101 101 ASN HB3 H 1 2.945 0.007 . 2 . . . . 99 ASN HB3 . 16009 1 1267 . 1 1 101 101 ASN HD21 H 1 7.515 0.015 . 1 . . . . 99 ASN HD21 . 16009 1 1268 . 1 1 101 101 ASN HD22 H 1 6.83 0.008 . 1 . . . . 99 ASN HD22 . 16009 1 1269 . 1 1 101 101 ASN C C 13 174.84 0.005 . 1 . . . . 99 ASN C . 16009 1 1270 . 1 1 101 101 ASN CA C 13 54.183 0.041 . 1 . . . . 99 ASN CA . 16009 1 1271 . 1 1 101 101 ASN CB C 13 37.682 0.048 . 1 . . . . 99 ASN CB . 16009 1 1272 . 1 1 101 101 ASN CG C 13 178.694 0.013 . 1 . . . . 99 ASN CG . 16009 1 1273 . 1 1 101 101 ASN N N 15 111.759 0.05 . 1 . . . . 99 ASN N . 16009 1 1274 . 1 1 101 101 ASN ND2 N 15 113.011 0.178 . 1 . . . . 99 ASN ND2 . 16009 1 1275 . 1 1 102 102 LEU H H 1 7.163 0.004 . 1 . . . . 100 LEU H . 16009 1 1276 . 1 1 102 102 LEU HA H 1 4.406 0.006 . 1 . . . . 100 LEU HA . 16009 1 1277 . 1 1 102 102 LEU HB2 H 1 1.11 0.005 . 2 . . . . 100 LEU HB2 . 16009 1 1278 . 1 1 102 102 LEU HB3 H 1 1.481 0.009 . 2 . . . . 100 LEU HB3 . 16009 1 1279 . 1 1 102 102 LEU HD11 H 1 0.732 0.003 . 1 . . . . 100 LEU HD11 . 16009 1 1280 . 1 1 102 102 LEU HD12 H 1 0.732 0.003 . 1 . . . . 100 LEU HD12 . 16009 1 1281 . 1 1 102 102 LEU HD13 H 1 0.732 0.003 . 1 . . . . 100 LEU HD13 . 16009 1 1282 . 1 1 102 102 LEU HD21 H 1 0.831 0.006 . 1 . . . . 100 LEU HD21 . 16009 1 1283 . 1 1 102 102 LEU HD22 H 1 0.831 0.006 . 1 . . . . 100 LEU HD22 . 16009 1 1284 . 1 1 102 102 LEU HD23 H 1 0.831 0.006 . 1 . . . . 100 LEU HD23 . 16009 1 1285 . 1 1 102 102 LEU HG H 1 1.598 0.003 . 1 . . . . 100 LEU HG . 16009 1 1286 . 1 1 102 102 LEU C C 13 174.838 0 . 1 . . . . 100 LEU C . 16009 1 1287 . 1 1 102 102 LEU CA C 13 53.63 0.071 . 1 . . . . 100 LEU CA . 16009 1 1288 . 1 1 102 102 LEU CB C 13 41.082 0.036 . 1 . . . . 100 LEU CB . 16009 1 1289 . 1 1 102 102 LEU CD1 C 13 25.189 0.06 . 1 . . . . 100 LEU CD1 . 16009 1 1290 . 1 1 102 102 LEU CD2 C 13 22.643 0.031 . 1 . . . . 100 LEU CD2 . 16009 1 1291 . 1 1 102 102 LEU N N 15 121.527 0.023 . 1 . . . . 100 LEU N . 16009 1 1292 . 1 1 103 103 PRO HA H 1 4.342 0.011 . 1 . . . . 101 PRO HA . 16009 1 1293 . 1 1 103 103 PRO HB2 H 1 1.824 0.005 . 2 . . . . 101 PRO HB2 . 16009 1 1294 . 1 1 103 103 PRO HB3 H 1 2.252 0.005 . 2 . . . . 101 PRO HB3 . 16009 1 1295 . 1 1 103 103 PRO HD2 H 1 3.485 0.002 . 2 . . . . 101 PRO HD2 . 16009 1 1296 . 1 1 103 103 PRO HD3 H 1 3.745 0.005 . 2 . . . . 101 PRO HD3 . 16009 1 1297 . 1 1 103 103 PRO HG2 H 1 1.929 0.003 . 2 . . . . 101 PRO HG2 . 16009 1 1298 . 1 1 103 103 PRO HG3 H 1 2.01 0.015 . 2 . . . . 101 PRO HG3 . 16009 1 1299 . 1 1 103 103 PRO C C 13 176.36 0.022 . 1 . . . . 101 PRO C . 16009 1 1300 . 1 1 103 103 PRO CA C 13 63.007 0.028 . 1 . . . . 101 PRO CA . 16009 1 1301 . 1 1 103 103 PRO CB C 13 32.145 0.063 . 1 . . . . 101 PRO CB . 16009 1 1302 . 1 1 103 103 PRO CD C 13 50.259 0.047 . 1 . . . . 101 PRO CD . 16009 1 1303 . 1 1 103 103 PRO CG C 13 27.565 0.06 . 1 . . . . 101 PRO CG . 16009 1 1304 . 1 1 104 104 ASN H H 1 8.436 0.006 . 1 . . . . 102 ASN H . 16009 1 1305 . 1 1 104 104 ASN HA H 1 4.619 0.005 . 1 . . . . 102 ASN HA . 16009 1 1306 . 1 1 104 104 ASN HB2 H 1 2.63 0.005 . 1 . . . . 102 ASN HB2 . 16009 1 1307 . 1 1 104 104 ASN HB3 H 1 2.636 0.002 . 1 . . . . 102 ASN HB3 . 16009 1 1308 . 1 1 104 104 ASN HD21 H 1 7.643 0.012 . 1 . . . . 102 ASN HD21 . 16009 1 1309 . 1 1 104 104 ASN HD22 H 1 7.186 0.009 . 1 . . . . 102 ASN HD22 . 16009 1 1310 . 1 1 104 104 ASN C C 13 174.355 0.022 . 1 . . . . 102 ASN C . 16009 1 1311 . 1 1 104 104 ASN CA C 13 54.649 0.036 . 1 . . . . 102 ASN CA . 16009 1 1312 . 1 1 104 104 ASN CB C 13 38.727 0.035 . 1 . . . . 102 ASN CB . 16009 1 1313 . 1 1 104 104 ASN CG C 13 176.318 0.051 . 1 . . . . 102 ASN CG . 16009 1 1314 . 1 1 104 104 ASN N N 15 119.725 0.043 . 1 . . . . 102 ASN N . 16009 1 1315 . 1 1 104 104 ASN ND2 N 15 111.706 0.118 . 1 . . . . 102 ASN ND2 . 16009 1 1316 . 1 1 105 105 ILE H H 1 7.977 0.008 . 1 . . . . 103 ILE H . 16009 1 1317 . 1 1 105 105 ILE HA H 1 4.709 0.008 . 1 . . . . 103 ILE HA . 16009 1 1318 . 1 1 105 105 ILE HB H 1 2.041 0.008 . 1 . . . . 103 ILE HB . 16009 1 1319 . 1 1 105 105 ILE HD11 H 1 0.969 0.004 . 1 . . . . 103 ILE HD11 . 16009 1 1320 . 1 1 105 105 ILE HD12 H 1 0.969 0.004 . 1 . . . . 103 ILE HD12 . 16009 1 1321 . 1 1 105 105 ILE HD13 H 1 0.969 0.004 . 1 . . . . 103 ILE HD13 . 16009 1 1322 . 1 1 105 105 ILE HG12 H 1 1.424 0.003 . 2 . . . . 103 ILE HG12 . 16009 1 1323 . 1 1 105 105 ILE HG13 H 1 1.618 0.004 . 2 . . . . 103 ILE HG13 . 16009 1 1324 . 1 1 105 105 ILE HG21 H 1 0.982 0.004 . 1 . . . . 103 ILE HG21 . 16009 1 1325 . 1 1 105 105 ILE HG22 H 1 0.982 0.004 . 1 . . . . 103 ILE HG22 . 16009 1 1326 . 1 1 105 105 ILE HG23 H 1 0.982 0.004 . 1 . . . . 103 ILE HG23 . 16009 1 1327 . 1 1 105 105 ILE C C 13 173.397 0.033 . 1 . . . . 103 ILE C . 16009 1 1328 . 1 1 105 105 ILE CA C 13 59.918 0.093 . 1 . . . . 103 ILE CA . 16009 1 1329 . 1 1 105 105 ILE CB C 13 42.762 0.075 . 1 . . . . 103 ILE CB . 16009 1 1330 . 1 1 105 105 ILE CD1 C 13 14.77 0.085 . 1 . . . . 103 ILE CD1 . 16009 1 1331 . 1 1 105 105 ILE CG1 C 13 26.086 0.025 . 1 . . . . 103 ILE CG1 . 16009 1 1332 . 1 1 105 105 ILE CG2 C 13 18.26 0.023 . 1 . . . . 103 ILE CG2 . 16009 1 1333 . 1 1 105 105 ILE N N 15 118.581 0.028 . 1 . . . . 103 ILE N . 16009 1 1334 . 1 1 106 106 LYS H H 1 8.58 0.015 . 1 . . . . 104 LYS H . 16009 1 1335 . 1 1 106 106 LYS HA H 1 4.692 0.012 . 1 . . . . 104 LYS HA . 16009 1 1336 . 1 1 106 106 LYS HB2 H 1 1.651 0.003 . 2 . . . . 104 LYS HB2 . 16009 1 1337 . 1 1 106 106 LYS HB3 H 1 1.79 0.005 . 2 . . . . 104 LYS HB3 . 16009 1 1338 . 1 1 106 106 LYS HD2 H 1 1.483 0.002 . 1 . . . . 104 LYS HD2 . 16009 1 1339 . 1 1 106 106 LYS HD3 H 1 1.482 0.001 . 1 . . . . 104 LYS HD3 . 16009 1 1340 . 1 1 106 106 LYS HG2 H 1 1.285 0.001 . 1 . . . . 104 LYS HG2 . 16009 1 1341 . 1 1 106 106 LYS HG3 H 1 1.285 0.001 . 1 . . . . 104 LYS HG3 . 16009 1 1342 . 1 1 106 106 LYS C C 13 176.197 0.009 . 1 . . . . 104 LYS C . 16009 1 1343 . 1 1 106 106 LYS CA C 13 54.598 0.038 . 1 . . . . 104 LYS CA . 16009 1 1344 . 1 1 106 106 LYS CB C 13 35.192 0.041 . 1 . . . . 104 LYS CB . 16009 1 1345 . 1 1 106 106 LYS CD C 13 29.081 0.002 . 1 . . . . 104 LYS CD . 16009 1 1346 . 1 1 106 106 LYS CE C 13 42.269 0.006 . 1 . . . . 104 LYS CE . 16009 1 1347 . 1 1 106 106 LYS CG C 13 24.361 0.015 . 1 . . . . 104 LYS CG . 16009 1 1348 . 1 1 106 106 LYS N N 15 121.646 0.056 . 1 . . . . 104 LYS N . 16009 1 1349 . 1 1 107 107 ILE H H 1 9.67 0.006 . 1 . . . . 105 ILE H . 16009 1 1350 . 1 1 107 107 ILE HA H 1 3.964 0.008 . 1 . . . . 105 ILE HA . 16009 1 1351 . 1 1 107 107 ILE HB H 1 1.997 0.005 . 1 . . . . 105 ILE HB . 16009 1 1352 . 1 1 107 107 ILE HD11 H 1 0.624 0.004 . 1 . . . . 105 ILE HD11 . 16009 1 1353 . 1 1 107 107 ILE HD12 H 1 0.624 0.004 . 1 . . . . 105 ILE HD12 . 16009 1 1354 . 1 1 107 107 ILE HD13 H 1 0.624 0.004 . 1 . . . . 105 ILE HD13 . 16009 1 1355 . 1 1 107 107 ILE HG12 H 1 0.575 0.004 . 2 . . . . 105 ILE HG12 . 16009 1 1356 . 1 1 107 107 ILE HG13 H 1 1.852 0.003 . 2 . . . . 105 ILE HG13 . 16009 1 1357 . 1 1 107 107 ILE HG21 H 1 1.064 0.002 . 1 . . . . 105 ILE HG21 . 16009 1 1358 . 1 1 107 107 ILE HG22 H 1 1.064 0.002 . 1 . . . . 105 ILE HG22 . 16009 1 1359 . 1 1 107 107 ILE HG23 H 1 1.064 0.002 . 1 . . . . 105 ILE HG23 . 16009 1 1360 . 1 1 107 107 ILE C C 13 175.233 0.024 . 1 . . . . 105 ILE C . 16009 1 1361 . 1 1 107 107 ILE CA C 13 63.034 0.029 . 1 . . . . 105 ILE CA . 16009 1 1362 . 1 1 107 107 ILE CB C 13 38.806 0.052 . 1 . . . . 105 ILE CB . 16009 1 1363 . 1 1 107 107 ILE CD1 C 13 14.83 0.1 . 1 . . . . 105 ILE CD1 . 16009 1 1364 . 1 1 107 107 ILE CG1 C 13 28.099 0.055 . 1 . . . . 105 ILE CG1 . 16009 1 1365 . 1 1 107 107 ILE CG2 C 13 21.987 0.104 . 1 . . . . 105 ILE CG2 . 16009 1 1366 . 1 1 107 107 ILE N N 15 120.534 0.031 . 1 . . . . 105 ILE N . 16009 1 1367 . 1 1 108 108 ALA H H 1 9.519 0.005 . 1 . . . . 106 ALA H . 16009 1 1368 . 1 1 108 108 ALA HA H 1 4.622 0.006 . 1 . . . . 106 ALA HA . 16009 1 1369 . 1 1 108 108 ALA HB1 H 1 1.437 0.005 . 1 . . . . 106 ALA HB1 . 16009 1 1370 . 1 1 108 108 ALA HB2 H 1 1.437 0.005 . 1 . . . . 106 ALA HB2 . 16009 1 1371 . 1 1 108 108 ALA HB3 H 1 1.437 0.005 . 1 . . . . 106 ALA HB3 . 16009 1 1372 . 1 1 108 108 ALA C C 13 178.293 0.012 . 1 . . . . 106 ALA C . 16009 1 1373 . 1 1 108 108 ALA CA C 13 54.282 0.057 . 1 . . . . 106 ALA CA . 16009 1 1374 . 1 1 108 108 ALA CB C 13 21.143 0.035 . 1 . . . . 106 ALA CB . 16009 1 1375 . 1 1 108 108 ALA N N 15 131.828 0.045 . 1 . . . . 106 ALA N . 16009 1 1376 . 1 1 109 109 THR H H 1 7.939 0.005 . 1 . . . . 107 THR H . 16009 1 1377 . 1 1 109 109 THR HA H 1 4.824 0.006 . 1 . . . . 107 THR HA . 16009 1 1378 . 1 1 109 109 THR HB H 1 4.224 0.005 . 1 . . . . 107 THR HB . 16009 1 1379 . 1 1 109 109 THR HG21 H 1 1.15 0.002 . 1 . . . . 107 THR HG21 . 16009 1 1380 . 1 1 109 109 THR HG22 H 1 1.15 0.002 . 1 . . . . 107 THR HG22 . 16009 1 1381 . 1 1 109 109 THR HG23 H 1 1.15 0.002 . 1 . . . . 107 THR HG23 . 16009 1 1382 . 1 1 109 109 THR C C 13 171.166 0.004 . 1 . . . . 107 THR C . 16009 1 1383 . 1 1 109 109 THR CA C 13 60.079 0.07 . 1 . . . . 107 THR CA . 16009 1 1384 . 1 1 109 109 THR CB C 13 73.743 0.099 . 1 . . . . 107 THR CB . 16009 1 1385 . 1 1 109 109 THR CG2 C 13 21.852 0.006 . 1 . . . . 107 THR CG2 . 16009 1 1386 . 1 1 109 109 THR N N 15 106.364 0.039 . 1 . . . . 107 THR N . 16009 1 1387 . 1 1 110 110 ARG H H 1 8.333 0.006 . 1 . . . . 108 ARG H . 16009 1 1388 . 1 1 110 110 ARG HA H 1 4.656 0.006 . 1 . . . . 108 ARG HA . 16009 1 1389 . 1 1 110 110 ARG HB2 H 1 0.036 0.012 . 2 . . . . 108 ARG HB2 . 16009 1 1390 . 1 1 110 110 ARG HB3 H 1 1.118 0.008 . 2 . . . . 108 ARG HB3 . 16009 1 1391 . 1 1 110 110 ARG HD2 H 1 2.561 0.004 . 2 . . . . 108 ARG HD2 . 16009 1 1392 . 1 1 110 110 ARG HD3 H 1 2.727 0.002 . 2 . . . . 108 ARG HD3 . 16009 1 1393 . 1 1 110 110 ARG HE H 1 7.248 0.002 . 1 . . . . 108 ARG HE . 16009 1 1394 . 1 1 110 110 ARG HG2 H 1 0.38 0.004 . 2 . . . . 108 ARG HG2 . 16009 1 1395 . 1 1 110 110 ARG HG3 H 1 0.91 0.001 . 2 . . . . 108 ARG HG3 . 16009 1 1396 . 1 1 110 110 ARG C C 13 174.676 0.006 . 1 . . . . 108 ARG C . 16009 1 1397 . 1 1 110 110 ARG CA C 13 54.347 0.033 . 1 . . . . 108 ARG CA . 16009 1 1398 . 1 1 110 110 ARG CB C 13 33.607 0.04 . 1 . . . . 108 ARG CB . 16009 1 1399 . 1 1 110 110 ARG CD C 13 43.992 0.019 . 1 . . . . 108 ARG CD . 16009 1 1400 . 1 1 110 110 ARG CG C 13 26.88 0.029 . 1 . . . . 108 ARG CG . 16009 1 1401 . 1 1 110 110 ARG N N 15 121.389 0.05 . 1 . . . . 108 ARG N . 16009 1 1402 . 1 1 110 110 ARG NE N 15 83.882 0 . 1 . . . . 108 ARG NE . 16009 1 1403 . 1 1 111 111 LYS H H 1 8.668 0.005 . 1 . . . . 109 LYS H . 16009 1 1404 . 1 1 111 111 LYS HA H 1 4.737 0.006 . 1 . . . . 109 LYS HA . 16009 1 1405 . 1 1 111 111 LYS HB2 H 1 1.702 0.004 . 1 . . . . 109 LYS HB2 . 16009 1 1406 . 1 1 111 111 LYS HB3 H 1 1.71 0 . 1 . . . . 109 LYS HB3 . 16009 1 1407 . 1 1 111 111 LYS HD2 H 1 1.578 0.001 . 1 . . . . 109 LYS HD2 . 16009 1 1408 . 1 1 111 111 LYS HD3 H 1 1.578 0.001 . 1 . . . . 109 LYS HD3 . 16009 1 1409 . 1 1 111 111 LYS HE2 H 1 2.837 0.002 . 2 . . . . 109 LYS HE2 . 16009 1 1410 . 1 1 111 111 LYS HE3 H 1 2.864 0.003 . 2 . . . . 109 LYS HE3 . 16009 1 1411 . 1 1 111 111 LYS HG2 H 1 1.285 0.008 . 1 . . . . 109 LYS HG2 . 16009 1 1412 . 1 1 111 111 LYS HG3 H 1 1.275 0.002 . 1 . . . . 109 LYS HG3 . 16009 1 1413 . 1 1 111 111 LYS C C 13 174.615 0.025 . 1 . . . . 109 LYS C . 16009 1 1414 . 1 1 111 111 LYS CA C 13 54.57 0.042 . 1 . . . . 109 LYS CA . 16009 1 1415 . 1 1 111 111 LYS CB C 13 36.484 0.035 . 1 . . . . 109 LYS CB . 16009 1 1416 . 1 1 111 111 LYS CD C 13 29.235 0.079 . 1 . . . . 109 LYS CD . 16009 1 1417 . 1 1 111 111 LYS CE C 13 41.75 0.045 . 1 . . . . 109 LYS CE . 16009 1 1418 . 1 1 111 111 LYS CG C 13 24.35 0.029 . 1 . . . . 109 LYS CG . 16009 1 1419 . 1 1 111 111 LYS N N 15 126.904 0.061 . 1 . . . . 109 LYS N . 16009 1 1420 . 1 1 112 112 TYR H H 1 9.007 0.006 . 1 . . . . 110 TYR H . 16009 1 1421 . 1 1 112 112 TYR HA H 1 3.946 0.011 . 1 . . . . 110 TYR HA . 16009 1 1422 . 1 1 112 112 TYR HB2 H 1 2.71 0.01 . 2 . . . . 110 TYR HB2 . 16009 1 1423 . 1 1 112 112 TYR HB3 H 1 2.947 0.01 . 2 . . . . 110 TYR HB3 . 16009 1 1424 . 1 1 112 112 TYR HD1 H 1 6.341 0.002 . 3 . . . . 110 TYR HD1 . 16009 1 1425 . 1 1 112 112 TYR HD2 H 1 6.341 0.002 . 3 . . . . 110 TYR HD2 . 16009 1 1426 . 1 1 112 112 TYR HE1 H 1 6.498 0.001 . 3 . . . . 110 TYR HE1 . 16009 1 1427 . 1 1 112 112 TYR HE2 H 1 6.498 0.001 . 3 . . . . 110 TYR HE2 . 16009 1 1428 . 1 1 112 112 TYR C C 13 174.899 0.051 . 1 . . . . 110 TYR C . 16009 1 1429 . 1 1 112 112 TYR CA C 13 57.831 0.117 . 1 . . . . 110 TYR CA . 16009 1 1430 . 1 1 112 112 TYR CB C 13 38.308 0.029 . 1 . . . . 110 TYR CB . 16009 1 1431 . 1 1 112 112 TYR CD1 C 13 133.291 0.002 . 3 . . . . 110 TYR CD1 . 16009 1 1432 . 1 1 112 112 TYR CD2 C 13 133.291 0.002 . 3 . . . . 110 TYR CD2 . 16009 1 1433 . 1 1 112 112 TYR CE1 C 13 118.1 0.002 . 3 . . . . 110 TYR CE1 . 16009 1 1434 . 1 1 112 112 TYR CE2 C 13 118.1 0.002 . 3 . . . . 110 TYR CE2 . 16009 1 1435 . 1 1 112 112 TYR N N 15 126.054 0.022 . 1 . . . . 110 TYR N . 16009 1 1436 . 1 1 113 113 LEU H H 1 8.008 0.005 . 1 . . . . 111 LEU H . 16009 1 1437 . 1 1 113 113 LEU HA H 1 4.221 0.006 . 1 . . . . 111 LEU HA . 16009 1 1438 . 1 1 113 113 LEU HB2 H 1 1.19 0.005 . 1 . . . . 111 LEU HB2 . 16009 1 1439 . 1 1 113 113 LEU HB3 H 1 1.192 0.001 . 1 . . . . 111 LEU HB3 . 16009 1 1440 . 1 1 113 113 LEU HD11 H 1 0.72 0.001 . 1 . . . . 111 LEU HD11 . 16009 1 1441 . 1 1 113 113 LEU HD12 H 1 0.72 0.001 . 1 . . . . 111 LEU HD12 . 16009 1 1442 . 1 1 113 113 LEU HD13 H 1 0.72 0.001 . 1 . . . . 111 LEU HD13 . 16009 1 1443 . 1 1 113 113 LEU HD21 H 1 0.601 0.002 . 1 . . . . 111 LEU HD21 . 16009 1 1444 . 1 1 113 113 LEU HD22 H 1 0.601 0.002 . 1 . . . . 111 LEU HD22 . 16009 1 1445 . 1 1 113 113 LEU HD23 H 1 0.601 0.002 . 1 . . . . 111 LEU HD23 . 16009 1 1446 . 1 1 113 113 LEU HG H 1 1.315 0.001 . 1 . . . . 111 LEU HG . 16009 1 1447 . 1 1 113 113 LEU C C 13 176.563 0.007 . 1 . . . . 111 LEU C . 16009 1 1448 . 1 1 113 113 LEU CA C 13 54.586 0.042 . 1 . . . . 111 LEU CA . 16009 1 1449 . 1 1 113 113 LEU CB C 13 42.798 0.04 . 1 . . . . 111 LEU CB . 16009 1 1450 . 1 1 113 113 LEU CD1 C 13 25.051 0.011 . 1 . . . . 111 LEU CD1 . 16009 1 1451 . 1 1 113 113 LEU CD2 C 13 22.425 0.029 . 1 . . . . 111 LEU CD2 . 16009 1 1452 . 1 1 113 113 LEU CG C 13 26.324 0.024 . 1 . . . . 111 LEU CG . 16009 1 1453 . 1 1 113 113 LEU N N 15 127.227 0.035 . 1 . . . . 111 LEU N . 16009 1 1454 . 1 1 114 114 GLY H H 1 5.766 0.004 . 1 . . . . 112 GLY H . 16009 1 1455 . 1 1 114 114 GLY HA2 H 1 3.148 0.008 . 2 . . . . 112 GLY HA2 . 16009 1 1456 . 1 1 114 114 GLY HA3 H 1 4.055 0.013 . 2 . . . . 112 GLY HA3 . 16009 1 1457 . 1 1 114 114 GLY C C 13 171.595 0.024 . 1 . . . . 112 GLY C . 16009 1 1458 . 1 1 114 114 GLY CA C 13 44.033 0.032 . 1 . . . . 112 GLY CA . 16009 1 1459 . 1 1 114 114 GLY N N 15 105.413 0.029 . 1 . . . . 112 GLY N . 16009 1 1460 . 1 1 115 115 LYS H H 1 8.234 0.008 . 1 . . . . 113 LYS H . 16009 1 1461 . 1 1 115 115 LYS HA H 1 4.749 0.009 . 1 . . . . 113 LYS HA . 16009 1 1462 . 1 1 115 115 LYS HB2 H 1 1.394 0.011 . 2 . . . . 113 LYS HB2 . 16009 1 1463 . 1 1 115 115 LYS HB3 H 1 1.597 0.012 . 2 . . . . 113 LYS HB3 . 16009 1 1464 . 1 1 115 115 LYS HG2 H 1 1.052 0.001 . 1 . . . . 113 LYS HG2 . 16009 1 1465 . 1 1 115 115 LYS HG3 H 1 1.053 0.004 . 1 . . . . 113 LYS HG3 . 16009 1 1466 . 1 1 115 115 LYS C C 13 176.985 0.006 . 1 . . . . 113 LYS C . 16009 1 1467 . 1 1 115 115 LYS CA C 13 55.737 0.022 . 1 . . . . 113 LYS CA . 16009 1 1468 . 1 1 115 115 LYS CB C 13 33.051 0.06 . 1 . . . . 113 LYS CB . 16009 1 1469 . 1 1 115 115 LYS CD C 13 29.14 0.012 . 1 . . . . 113 LYS CD . 16009 1 1470 . 1 1 115 115 LYS CE C 13 41.87 0 . 1 . . . . 113 LYS CE . 16009 1 1471 . 1 1 115 115 LYS CG C 13 25.823 0.038 . 1 . . . . 113 LYS CG . 16009 1 1472 . 1 1 115 115 LYS N N 15 118.98 0.026 . 1 . . . . 113 LYS N . 16009 1 1473 . 1 1 116 116 GLN H H 1 8.641 0.009 . 1 . . . . 114 GLN H . 16009 1 1474 . 1 1 116 116 GLN HA H 1 4.713 0.015 . 1 . . . . 114 GLN HA . 16009 1 1475 . 1 1 116 116 GLN HB2 H 1 1.668 0.01 . 2 . . . . 114 GLN HB2 . 16009 1 1476 . 1 1 116 116 GLN HB3 H 1 2.186 0.004 . 2 . . . . 114 GLN HB3 . 16009 1 1477 . 1 1 116 116 GLN HE21 H 1 7.189 0.006 . 1 . . . . 114 GLN HE21 . 16009 1 1478 . 1 1 116 116 GLN HE22 H 1 6.351 0.005 . 1 . . . . 114 GLN HE22 . 16009 1 1479 . 1 1 116 116 GLN HG2 H 1 1.94 0.006 . 2 . . . . 114 GLN HG2 . 16009 1 1480 . 1 1 116 116 GLN HG3 H 1 2.315 0.016 . 2 . . . . 114 GLN HG3 . 16009 1 1481 . 1 1 116 116 GLN C C 13 174.295 0.018 . 1 . . . . 114 GLN C . 16009 1 1482 . 1 1 116 116 GLN CA C 13 53.631 0.069 . 1 . . . . 114 GLN CA . 16009 1 1483 . 1 1 116 116 GLN CB C 13 33.009 0.025 . 1 . . . . 114 GLN CB . 16009 1 1484 . 1 1 116 116 GLN CD C 13 180.127 0.003 . 1 . . . . 114 GLN CD . 16009 1 1485 . 1 1 116 116 GLN CG C 13 32.802 0.031 . 1 . . . . 114 GLN CG . 16009 1 1486 . 1 1 116 116 GLN N N 15 120.133 0.04 . 1 . . . . 114 GLN N . 16009 1 1487 . 1 1 116 116 GLN NE2 N 15 108.335 0.127 . 1 . . . . 114 GLN NE2 . 16009 1 1488 . 1 1 117 117 ASN H H 1 8.897 0.008 . 1 . . . . 115 ASN H . 16009 1 1489 . 1 1 117 117 ASN HA H 1 4.617 0.009 . 1 . . . . 115 ASN HA . 16009 1 1490 . 1 1 117 117 ASN HB2 H 1 2.532 0.005 . 2 . . . . 115 ASN HB2 . 16009 1 1491 . 1 1 117 117 ASN HB3 H 1 2.91 0.006 . 2 . . . . 115 ASN HB3 . 16009 1 1492 . 1 1 117 117 ASN HD21 H 1 6.594 0.009 . 1 . . . . 115 ASN HD21 . 16009 1 1493 . 1 1 117 117 ASN HD22 H 1 7.592 0.006 . 1 . . . . 115 ASN HD22 . 16009 1 1494 . 1 1 117 117 ASN C C 13 175.092 0.021 . 1 . . . . 115 ASN C . 16009 1 1495 . 1 1 117 117 ASN CA C 13 54.796 0.039 . 1 . . . . 115 ASN CA . 16009 1 1496 . 1 1 117 117 ASN CB C 13 39.436 0.033 . 1 . . . . 115 ASN CB . 16009 1 1497 . 1 1 117 117 ASN CG C 13 177.329 0.008 . 1 . . . . 115 ASN CG . 16009 1 1498 . 1 1 117 117 ASN N N 15 121.66 0.057 . 1 . . . . 115 ASN N . 16009 1 1499 . 1 1 117 117 ASN ND2 N 15 113.495 0.129 . 1 . . . . 115 ASN ND2 . 16009 1 1500 . 1 1 118 118 VAL H H 1 8.282 0.016 . 1 . . . . 116 VAL H . 16009 1 1501 . 1 1 118 118 VAL HA H 1 5.011 0.007 . 1 . . . . 116 VAL HA . 16009 1 1502 . 1 1 118 118 VAL HB H 1 2.16 0.013 . 1 . . . . 116 VAL HB . 16009 1 1503 . 1 1 118 118 VAL HG11 H 1 0.671 0.004 . 1 . . . . 116 VAL HG11 . 16009 1 1504 . 1 1 118 118 VAL HG12 H 1 0.671 0.004 . 1 . . . . 116 VAL HG12 . 16009 1 1505 . 1 1 118 118 VAL HG13 H 1 0.671 0.004 . 1 . . . . 116 VAL HG13 . 16009 1 1506 . 1 1 118 118 VAL HG21 H 1 0.581 0.001 . 1 . . . . 116 VAL HG21 . 16009 1 1507 . 1 1 118 118 VAL HG22 H 1 0.581 0.001 . 1 . . . . 116 VAL HG22 . 16009 1 1508 . 1 1 118 118 VAL HG23 H 1 0.581 0.001 . 1 . . . . 116 VAL HG23 . 16009 1 1509 . 1 1 118 118 VAL C C 13 175.567 0.024 . 1 . . . . 116 VAL C . 16009 1 1510 . 1 1 118 118 VAL CA C 13 60.323 0.062 . 1 . . . . 116 VAL CA . 16009 1 1511 . 1 1 118 118 VAL CB C 13 35.099 0.047 . 1 . . . . 116 VAL CB . 16009 1 1512 . 1 1 118 118 VAL CG1 C 13 23.309 0.036 . 1 . . . . 116 VAL CG1 . 16009 1 1513 . 1 1 118 118 VAL CG2 C 13 21.27 0.069 . 1 . . . . 116 VAL CG2 . 16009 1 1514 . 1 1 118 118 VAL N N 15 117.579 0.087 . 1 . . . . 116 VAL N . 16009 1 1515 . 1 1 119 119 TYR H H 1 8.833 0.004 . 1 . . . . 117 TYR H . 16009 1 1516 . 1 1 119 119 TYR HA H 1 5.31 0.005 . 1 . . . . 117 TYR HA . 16009 1 1517 . 1 1 119 119 TYR HB2 H 1 2.453 0.011 . 2 . . . . 117 TYR HB2 . 16009 1 1518 . 1 1 119 119 TYR HB3 H 1 3.114 0.005 . 2 . . . . 117 TYR HB3 . 16009 1 1519 . 1 1 119 119 TYR HD1 H 1 7.103 0.004 . 3 . . . . 117 TYR HD1 . 16009 1 1520 . 1 1 119 119 TYR HD2 H 1 7.103 0.004 . 3 . . . . 117 TYR HD2 . 16009 1 1521 . 1 1 119 119 TYR HE1 H 1 6.91 0.002 . 3 . . . . 117 TYR HE1 . 16009 1 1522 . 1 1 119 119 TYR HE2 H 1 6.91 0.002 . 3 . . . . 117 TYR HE2 . 16009 1 1523 . 1 1 119 119 TYR C C 13 174.207 0.015 . 1 . . . . 117 TYR C . 16009 1 1524 . 1 1 119 119 TYR CA C 13 58.735 0.096 . 1 . . . . 117 TYR CA . 16009 1 1525 . 1 1 119 119 TYR CB C 13 45.706 0.034 . 1 . . . . 117 TYR CB . 16009 1 1526 . 1 1 119 119 TYR CD1 C 13 133.072 0.013 . 3 . . . . 117 TYR CD1 . 16009 1 1527 . 1 1 119 119 TYR CD2 C 13 133.072 0.013 . 3 . . . . 117 TYR CD2 . 16009 1 1528 . 1 1 119 119 TYR CE1 C 13 118.567 0 . 3 . . . . 117 TYR CE1 . 16009 1 1529 . 1 1 119 119 TYR CE2 C 13 118.567 0 . 3 . . . . 117 TYR CE2 . 16009 1 1530 . 1 1 119 119 TYR N N 15 115.655 0.025 . 1 . . . . 117 TYR N . 16009 1 1531 . 1 1 120 120 ASP H H 1 9.601 0.004 . 1 . . . . 118 ASP H . 16009 1 1532 . 1 1 120 120 ASP HA H 1 5.341 0.01 . 1 . . . . 118 ASP HA . 16009 1 1533 . 1 1 120 120 ASP HB2 H 1 2.59 0.008 . 2 . . . . 118 ASP HB2 . 16009 1 1534 . 1 1 120 120 ASP HB3 H 1 2.966 0.011 . 2 . . . . 118 ASP HB3 . 16009 1 1535 . 1 1 120 120 ASP C C 13 173.89 0.045 . 1 . . . . 118 ASP C . 16009 1 1536 . 1 1 120 120 ASP CA C 13 54.304 0.074 . 1 . . . . 118 ASP CA . 16009 1 1537 . 1 1 120 120 ASP CB C 13 45.751 0.034 . 1 . . . . 118 ASP CB . 16009 1 1538 . 1 1 120 120 ASP N N 15 119.54 0.032 . 1 . . . . 118 ASP N . 16009 1 1539 . 1 1 121 121 ILE H H 1 7.385 0.011 . 1 . . . . 119 ILE H . 16009 1 1540 . 1 1 121 121 ILE HA H 1 4.598 0.006 . 1 . . . . 119 ILE HA . 16009 1 1541 . 1 1 121 121 ILE HB H 1 1.356 0.012 . 1 . . . . 119 ILE HB . 16009 1 1542 . 1 1 121 121 ILE HD11 H 1 -0.004 0.003 . 1 . . . . 119 ILE HD11 . 16009 1 1543 . 1 1 121 121 ILE HD12 H 1 -0.004 0.003 . 1 . . . . 119 ILE HD12 . 16009 1 1544 . 1 1 121 121 ILE HD13 H 1 -0.004 0.003 . 1 . . . . 119 ILE HD13 . 16009 1 1545 . 1 1 121 121 ILE HG12 H 1 0.044 0 . 2 . . . . 119 ILE HG12 . 16009 1 1546 . 1 1 121 121 ILE HG13 H 1 0.37 0 . 2 . . . . 119 ILE HG13 . 16009 1 1547 . 1 1 121 121 ILE HG21 H 1 0.561 0.001 . 1 . . . . 119 ILE HG21 . 16009 1 1548 . 1 1 121 121 ILE HG22 H 1 0.561 0.001 . 1 . . . . 119 ILE HG22 . 16009 1 1549 . 1 1 121 121 ILE HG23 H 1 0.561 0.001 . 1 . . . . 119 ILE HG23 . 16009 1 1550 . 1 1 121 121 ILE C C 13 173.534 0.036 . 1 . . . . 119 ILE C . 16009 1 1551 . 1 1 121 121 ILE CA C 13 59.099 0.032 . 1 . . . . 119 ILE CA . 16009 1 1552 . 1 1 121 121 ILE CB C 13 42.325 0.055 . 1 . . . . 119 ILE CB . 16009 1 1553 . 1 1 121 121 ILE CD1 C 13 14.507 0.123 . 1 . . . . 119 ILE CD1 . 16009 1 1554 . 1 1 121 121 ILE CG1 C 13 25.203 0.003 . 1 . . . . 119 ILE CG1 . 16009 1 1555 . 1 1 121 121 ILE CG2 C 13 18.478 0.028 . 1 . . . . 119 ILE CG2 . 16009 1 1556 . 1 1 121 121 ILE N N 15 111.427 0.042 . 1 . . . . 119 ILE N . 16009 1 1557 . 1 1 122 122 GLY H H 1 8.12 0.006 . 1 . . . . 120 GLY H . 16009 1 1558 . 1 1 122 122 GLY HA2 H 1 3.534 0.006 . 2 . . . . 120 GLY HA2 . 16009 1 1559 . 1 1 122 122 GLY HA3 H 1 4.924 0.01 . 2 . . . . 120 GLY HA3 . 16009 1 1560 . 1 1 122 122 GLY C C 13 172.283 0.01 . 1 . . . . 120 GLY C . 16009 1 1561 . 1 1 122 122 GLY CA C 13 43.777 0.04 . 1 . . . . 120 GLY CA . 16009 1 1562 . 1 1 122 122 GLY N N 15 106.096 0.064 . 1 . . . . 120 GLY N . 16009 1 1563 . 1 1 123 123 VAL H H 1 8.689 0.006 . 1 . . . . 121 VAL H . 16009 1 1564 . 1 1 123 123 VAL HA H 1 4.506 0.009 . 1 . . . . 121 VAL HA . 16009 1 1565 . 1 1 123 123 VAL HB H 1 2.069 0.006 . 1 . . . . 121 VAL HB . 16009 1 1566 . 1 1 123 123 VAL HG11 H 1 0.68 0.003 . 1 . . . . 121 VAL HG11 . 16009 1 1567 . 1 1 123 123 VAL HG12 H 1 0.68 0.003 . 1 . . . . 121 VAL HG12 . 16009 1 1568 . 1 1 123 123 VAL HG13 H 1 0.68 0.003 . 1 . . . . 121 VAL HG13 . 16009 1 1569 . 1 1 123 123 VAL HG21 H 1 0.915 0.004 . 1 . . . . 121 VAL HG21 . 16009 1 1570 . 1 1 123 123 VAL HG22 H 1 0.915 0.004 . 1 . . . . 121 VAL HG22 . 16009 1 1571 . 1 1 123 123 VAL HG23 H 1 0.915 0.004 . 1 . . . . 121 VAL HG23 . 16009 1 1572 . 1 1 123 123 VAL C C 13 175.801 0 . 1 . . . . 121 VAL C . 16009 1 1573 . 1 1 123 123 VAL CA C 13 59.46 0.032 . 1 . . . . 121 VAL CA . 16009 1 1574 . 1 1 123 123 VAL CB C 13 35.194 0.04 . 1 . . . . 121 VAL CB . 16009 1 1575 . 1 1 123 123 VAL CG1 C 13 22.299 0.025 . 1 . . . . 121 VAL CG1 . 16009 1 1576 . 1 1 123 123 VAL CG2 C 13 19.411 0.042 . 1 . . . . 121 VAL CG2 . 16009 1 1577 . 1 1 123 123 VAL N N 15 114.777 0.031 . 1 . . . . 121 VAL N . 16009 1 1578 . 1 1 124 124 GLU H H 1 8.437 0.002 . 1 . . . . 122 GLU H . 16009 1 1579 . 1 1 127 127 HIS H H 1 8.608 0 . 1 . . . . 125 HIS H . 16009 1 1580 . 1 1 127 127 HIS HA H 1 4.335 0.011 . 1 . . . . 125 HIS HA . 16009 1 1581 . 1 1 127 127 HIS HB2 H 1 3.442 0.005 . 2 . . . . 125 HIS HB2 . 16009 1 1582 . 1 1 127 127 HIS HB3 H 1 3.572 0.001 . 2 . . . . 125 HIS HB3 . 16009 1 1583 . 1 1 127 127 HIS HD2 H 1 7.286 0.007 . 1 . . . . 125 HIS HD2 . 16009 1 1584 . 1 1 127 127 HIS HE1 H 1 7.684 0.001 . 1 . . . . 125 HIS HE1 . 16009 1 1585 . 1 1 127 127 HIS CB C 13 26.128 0.031 . 1 . . . . 125 HIS CB . 16009 1 1586 . 1 1 127 127 HIS CD2 C 13 120.153 0.001 . 1 . . . . 125 HIS CD2 . 16009 1 1587 . 1 1 127 127 HIS CE1 C 13 139.042 0.026 . 1 . . . . 125 HIS CE1 . 16009 1 1588 . 1 1 128 128 ASN H H 1 8.229 0.007 . 1 . . . . 126 ASN H . 16009 1 1589 . 1 1 128 128 ASN HA H 1 5.272 0.005 . 1 . . . . 126 ASN HA . 16009 1 1590 . 1 1 128 128 ASN HB2 H 1 2.476 0.003 . 2 . . . . 126 ASN HB2 . 16009 1 1591 . 1 1 128 128 ASN HB3 H 1 2.571 0.005 . 2 . . . . 126 ASN HB3 . 16009 1 1592 . 1 1 128 128 ASN HD21 H 1 6.67 0 . 1 . . . . 126 ASN HD21 . 16009 1 1593 . 1 1 128 128 ASN HD22 H 1 7.879 0.002 . 1 . . . . 126 ASN HD22 . 16009 1 1594 . 1 1 128 128 ASN C C 13 172.163 0.022 . 1 . . . . 126 ASN C . 16009 1 1595 . 1 1 128 128 ASN CA C 13 52.875 0.051 . 1 . . . . 126 ASN CA . 16009 1 1596 . 1 1 128 128 ASN CB C 13 41.301 0.095 . 1 . . . . 126 ASN CB . 16009 1 1597 . 1 1 128 128 ASN ND2 N 15 114.121 0.012 . 1 . . . . 126 ASN ND2 . 16009 1 1598 . 1 1 129 129 PHE H H 1 8.217 0.006 . 1 . . . . 127 PHE H . 16009 1 1599 . 1 1 129 129 PHE HA H 1 5.774 0.008 . 1 . . . . 127 PHE HA . 16009 1 1600 . 1 1 129 129 PHE HB2 H 1 2.846 0.01 . 2 . . . . 127 PHE HB2 . 16009 1 1601 . 1 1 129 129 PHE HB3 H 1 3.18 0.008 . 2 . . . . 127 PHE HB3 . 16009 1 1602 . 1 1 129 129 PHE HD1 H 1 6.709 0.001 . 3 . . . . 127 PHE HD1 . 16009 1 1603 . 1 1 129 129 PHE HD2 H 1 6.709 0.001 . 3 . . . . 127 PHE HD2 . 16009 1 1604 . 1 1 129 129 PHE HE1 H 1 7.044 0.001 . 3 . . . . 127 PHE HE1 . 16009 1 1605 . 1 1 129 129 PHE HE2 H 1 7.044 0.001 . 3 . . . . 127 PHE HE2 . 16009 1 1606 . 1 1 129 129 PHE C C 13 174.161 0.006 . 1 . . . . 127 PHE C . 16009 1 1607 . 1 1 129 129 PHE CA C 13 55.41 0.113 . 1 . . . . 127 PHE CA . 16009 1 1608 . 1 1 129 129 PHE CB C 13 39.349 0.031 . 1 . . . . 127 PHE CB . 16009 1 1609 . 1 1 129 129 PHE CD1 C 13 132.579 0.026 . 3 . . . . 127 PHE CD1 . 16009 1 1610 . 1 1 129 129 PHE CD2 C 13 132.579 0.026 . 3 . . . . 127 PHE CD2 . 16009 1 1611 . 1 1 129 129 PHE CE1 C 13 130.763 0 . 3 . . . . 127 PHE CE1 . 16009 1 1612 . 1 1 129 129 PHE CE2 C 13 130.763 0 . 3 . . . . 127 PHE CE2 . 16009 1 1613 . 1 1 129 129 PHE N N 15 113.532 0.047 . 1 . . . . 127 PHE N . 16009 1 1614 . 1 1 130 130 ALA H H 1 8.464 0.008 . 1 . . . . 128 ALA H . 16009 1 1615 . 1 1 130 130 ALA HA H 1 5.237 0.004 . 1 . . . . 128 ALA HA . 16009 1 1616 . 1 1 130 130 ALA HB1 H 1 1.335 0.005 . 1 . . . . 128 ALA HB1 . 16009 1 1617 . 1 1 130 130 ALA HB2 H 1 1.335 0.005 . 1 . . . . 128 ALA HB2 . 16009 1 1618 . 1 1 130 130 ALA HB3 H 1 1.335 0.005 . 1 . . . . 128 ALA HB3 . 16009 1 1619 . 1 1 130 130 ALA C C 13 178.472 0.014 . 1 . . . . 128 ALA C . 16009 1 1620 . 1 1 130 130 ALA CA C 13 51.817 0.086 . 1 . . . . 128 ALA CA . 16009 1 1621 . 1 1 130 130 ALA CB C 13 20.024 0.039 . 1 . . . . 128 ALA CB . 16009 1 1622 . 1 1 130 130 ALA N N 15 121.641 0.057 . 1 . . . . 128 ALA N . 16009 1 1623 . 1 1 131 131 LEU H H 1 9.037 0.006 . 1 . . . . 129 LEU H . 16009 1 1624 . 1 1 131 131 LEU HA H 1 5.123 0.006 . 1 . . . . 129 LEU HA . 16009 1 1625 . 1 1 131 131 LEU HB2 H 1 1.934 0.008 . 2 . . . . 129 LEU HB2 . 16009 1 1626 . 1 1 131 131 LEU HB3 H 1 2.206 0.005 . 2 . . . . 129 LEU HB3 . 16009 1 1627 . 1 1 131 131 LEU HD11 H 1 1.118 0.002 . 1 . . . . 129 LEU HD11 . 16009 1 1628 . 1 1 131 131 LEU HD12 H 1 1.118 0.002 . 1 . . . . 129 LEU HD12 . 16009 1 1629 . 1 1 131 131 LEU HD13 H 1 1.118 0.002 . 1 . . . . 129 LEU HD13 . 16009 1 1630 . 1 1 131 131 LEU HD21 H 1 1.042 0.004 . 1 . . . . 129 LEU HD21 . 16009 1 1631 . 1 1 131 131 LEU HD22 H 1 1.042 0.004 . 1 . . . . 129 LEU HD22 . 16009 1 1632 . 1 1 131 131 LEU HD23 H 1 1.042 0.004 . 1 . . . . 129 LEU HD23 . 16009 1 1633 . 1 1 131 131 LEU HG H 1 1.922 0.004 . 1 . . . . 129 LEU HG . 16009 1 1634 . 1 1 131 131 LEU C C 13 177.544 0.026 . 1 . . . . 129 LEU C . 16009 1 1635 . 1 1 131 131 LEU CA C 13 53.076 0.05 . 1 . . . . 129 LEU CA . 16009 1 1636 . 1 1 131 131 LEU CB C 13 45.82 0.067 . 1 . . . . 129 LEU CB . 16009 1 1637 . 1 1 131 131 LEU CD1 C 13 26.404 0.043 . 1 . . . . 129 LEU CD1 . 16009 1 1638 . 1 1 131 131 LEU CD2 C 13 24.829 0.043 . 1 . . . . 129 LEU CD2 . 16009 1 1639 . 1 1 131 131 LEU CG C 13 28.361 0.037 . 1 . . . . 129 LEU CG . 16009 1 1640 . 1 1 131 131 LEU N N 15 121.333 0.028 . 1 . . . . 129 LEU N . 16009 1 1641 . 1 1 132 132 LYS H H 1 7.804 0.004 . 1 . . . . 130 LYS H . 16009 1 1642 . 1 1 132 132 LYS HA H 1 3.899 0.007 . 1 . . . . 130 LYS HA . 16009 1 1643 . 1 1 132 132 LYS HB2 H 1 1.804 0.007 . 2 . . . . 130 LYS HB2 . 16009 1 1644 . 1 1 132 132 LYS HB3 H 1 1.99 0.01 . 2 . . . . 130 LYS HB3 . 16009 1 1645 . 1 1 132 132 LYS HE2 H 1 2.952 0.001 . 2 . . . . 130 LYS HE2 . 16009 1 1646 . 1 1 132 132 LYS HE3 H 1 3.069 0.001 . 2 . . . . 130 LYS HE3 . 16009 1 1647 . 1 1 132 132 LYS HG2 H 1 1.456 0.006 . 1 . . . . 130 LYS HG2 . 16009 1 1648 . 1 1 132 132 LYS HG3 H 1 1.456 0.006 . 1 . . . . 130 LYS HG3 . 16009 1 1649 . 1 1 132 132 LYS C C 13 176.365 0 . 1 . . . . 130 LYS C . 16009 1 1650 . 1 1 132 132 LYS CA C 13 58.498 0.048 . 1 . . . . 130 LYS CA . 16009 1 1651 . 1 1 132 132 LYS CB C 13 33.742 0.041 . 1 . . . . 130 LYS CB . 16009 1 1652 . 1 1 132 132 LYS CG C 13 24.906 0 . 1 . . . . 130 LYS CG . 16009 1 1653 . 1 1 132 132 LYS N N 15 119.118 0.031 . 1 . . . . 130 LYS N . 16009 1 1654 . 1 1 133 133 ASN H H 1 8.617 0.002 . 1 . . . . 131 ASN H . 16009 1 1655 . 1 1 133 133 ASN HA H 1 4.214 0.006 . 1 . . . . 131 ASN HA . 16009 1 1656 . 1 1 133 133 ASN HB2 H 1 2.815 0.007 . 2 . . . . 131 ASN HB2 . 16009 1 1657 . 1 1 133 133 ASN HB3 H 1 3.179 0.006 . 2 . . . . 131 ASN HB3 . 16009 1 1658 . 1 1 133 133 ASN C C 13 174.158 0.06 . 1 . . . . 131 ASN C . 16009 1 1659 . 1 1 133 133 ASN CA C 13 54.935 0.035 . 1 . . . . 131 ASN CA . 16009 1 1660 . 1 1 133 133 ASN CB C 13 37.792 0.075 . 1 . . . . 131 ASN CB . 16009 1 1661 . 1 1 133 133 ASN N N 15 124.099 0.027 . 1 . . . . 131 ASN N . 16009 1 1662 . 1 1 134 134 GLY H H 1 8.149 0.003 . 1 . . . . 132 GLY H . 16009 1 1663 . 1 1 134 134 GLY HA2 H 1 3.541 0.008 . 2 . . . . 132 GLY HA2 . 16009 1 1664 . 1 1 134 134 GLY HA3 H 1 3.737 0.004 . 2 . . . . 132 GLY HA3 . 16009 1 1665 . 1 1 134 134 GLY C C 13 172.727 0.022 . 1 . . . . 132 GLY C . 16009 1 1666 . 1 1 134 134 GLY CA C 13 46.407 0.032 . 1 . . . . 132 GLY CA . 16009 1 1667 . 1 1 134 134 GLY N N 15 103.537 0.043 . 1 . . . . 132 GLY N . 16009 1 1668 . 1 1 135 135 PHE H H 1 6.037 0.004 . 1 . . . . 133 PHE H . 16009 1 1669 . 1 1 135 135 PHE HA H 1 4.838 0.006 . 1 . . . . 133 PHE HA . 16009 1 1670 . 1 1 135 135 PHE HB2 H 1 2.677 0.005 . 2 . . . . 133 PHE HB2 . 16009 1 1671 . 1 1 135 135 PHE HB3 H 1 3.514 0.021 . 2 . . . . 133 PHE HB3 . 16009 1 1672 . 1 1 135 135 PHE HD1 H 1 7.32 0.011 . 3 . . . . 133 PHE HD1 . 16009 1 1673 . 1 1 135 135 PHE HD2 H 1 7.32 0.011 . 3 . . . . 133 PHE HD2 . 16009 1 1674 . 1 1 135 135 PHE HE1 H 1 6.855 0.005 . 3 . . . . 133 PHE HE1 . 16009 1 1675 . 1 1 135 135 PHE HE2 H 1 6.855 0.005 . 3 . . . . 133 PHE HE2 . 16009 1 1676 . 1 1 135 135 PHE C C 13 173.569 0.011 . 1 . . . . 133 PHE C . 16009 1 1677 . 1 1 135 135 PHE CA C 13 57.668 0.078 . 1 . . . . 133 PHE CA . 16009 1 1678 . 1 1 135 135 PHE CB C 13 40.028 0.029 . 1 . . . . 133 PHE CB . 16009 1 1679 . 1 1 135 135 PHE CD1 C 13 131.597 0.045 . 3 . . . . 133 PHE CD1 . 16009 1 1680 . 1 1 135 135 PHE CD2 C 13 131.597 0.045 . 3 . . . . 133 PHE CD2 . 16009 1 1681 . 1 1 135 135 PHE CE1 C 13 129.49 0.04 . 3 . . . . 133 PHE CE1 . 16009 1 1682 . 1 1 135 135 PHE CE2 C 13 129.49 0.04 . 3 . . . . 133 PHE CE2 . 16009 1 1683 . 1 1 135 135 PHE N N 15 115.711 0.022 . 1 . . . . 133 PHE N . 16009 1 1684 . 1 1 136 136 ILE H H 1 9.571 0.005 . 1 . . . . 134 ILE H . 16009 1 1685 . 1 1 136 136 ILE HA H 1 4.535 0.004 . 1 . . . . 134 ILE HA . 16009 1 1686 . 1 1 136 136 ILE HB H 1 1.914 0.008 . 1 . . . . 134 ILE HB . 16009 1 1687 . 1 1 136 136 ILE HD11 H 1 0.562 0.003 . 1 . . . . 134 ILE HD11 . 16009 1 1688 . 1 1 136 136 ILE HD12 H 1 0.562 0.003 . 1 . . . . 134 ILE HD12 . 16009 1 1689 . 1 1 136 136 ILE HD13 H 1 0.562 0.003 . 1 . . . . 134 ILE HD13 . 16009 1 1690 . 1 1 136 136 ILE HG12 H 1 1.245 0.003 . 2 . . . . 134 ILE HG12 . 16009 1 1691 . 1 1 136 136 ILE HG13 H 1 1.297 0.003 . 2 . . . . 134 ILE HG13 . 16009 1 1692 . 1 1 136 136 ILE HG21 H 1 0.625 0.004 . 1 . . . . 134 ILE HG21 . 16009 1 1693 . 1 1 136 136 ILE HG22 H 1 0.625 0.004 . 1 . . . . 134 ILE HG22 . 16009 1 1694 . 1 1 136 136 ILE HG23 H 1 0.625 0.004 . 1 . . . . 134 ILE HG23 . 16009 1 1695 . 1 1 136 136 ILE C C 13 174.656 0.044 . 1 . . . . 134 ILE C . 16009 1 1696 . 1 1 136 136 ILE CA C 13 58.816 0.051 . 1 . . . . 134 ILE CA . 16009 1 1697 . 1 1 136 136 ILE CB C 13 38.372 0.058 . 1 . . . . 134 ILE CB . 16009 1 1698 . 1 1 136 136 ILE CD1 C 13 11.095 0.028 . 1 . . . . 134 ILE CD1 . 16009 1 1699 . 1 1 136 136 ILE CG1 C 13 25.401 0.004 . 1 . . . . 134 ILE CG1 . 16009 1 1700 . 1 1 136 136 ILE CG2 C 13 18.471 0.045 . 1 . . . . 134 ILE CG2 . 16009 1 1701 . 1 1 136 136 ILE N N 15 121.662 0.034 . 1 . . . . 134 ILE N . 16009 1 1702 . 1 1 137 137 ALA H H 1 8.11 0.005 . 1 . . . . 135 ALA H . 16009 1 1703 . 1 1 137 137 ALA HA H 1 3.548 0.007 . 1 . . . . 135 ALA HA . 16009 1 1704 . 1 1 137 137 ALA HB1 H 1 0.234 0.005 . 1 . . . . 135 ALA HB1 . 16009 1 1705 . 1 1 137 137 ALA HB2 H 1 0.234 0.005 . 1 . . . . 135 ALA HB2 . 16009 1 1706 . 1 1 137 137 ALA HB3 H 1 0.234 0.005 . 1 . . . . 135 ALA HB3 . 16009 1 1707 . 1 1 137 137 ALA C C 13 175.729 0.005 . 1 . . . . 135 ALA C . 16009 1 1708 . 1 1 137 137 ALA CA C 13 50.243 0.08 . 1 . . . . 135 ALA CA . 16009 1 1709 . 1 1 137 137 ALA CB C 13 20.679 0.037 . 1 . . . . 135 ALA CB . 16009 1 1710 . 1 1 137 137 ALA N N 15 130.024 0.024 . 1 . . . . 135 ALA N . 16009 1 1711 . 1 1 138 138 SER H H 1 7.689 0.009 . 1 . . . . 136 SER H . 16009 1 1712 . 1 1 138 138 SER HA H 1 5.106 0.015 . 1 . . . . 136 SER HA . 16009 1 1713 . 1 1 138 138 SER HB2 H 1 3.184 0.004 . 2 . . . . 136 SER HB2 . 16009 1 1714 . 1 1 138 138 SER HB3 H 1 3.804 0.005 . 2 . . . . 136 SER HB3 . 16009 1 1715 . 1 1 138 138 SER C C 13 172.974 0.008 . 1 . . . . 136 SER C . 16009 1 1716 . 1 1 138 138 SER CA C 13 56.7 0.081 . 1 . . . . 136 SER CA . 16009 1 1717 . 1 1 138 138 SER CB C 13 67.399 0.042 . 1 . . . . 136 SER CB . 16009 1 1718 . 1 1 138 138 SER N N 15 112.757 0.036 . 1 . . . . 136 SER N . 16009 1 1719 . 1 1 139 139 ASN H H 1 8.535 0.007 . 1 . . . . 137 ASN H . 16009 1 1720 . 1 1 139 139 ASN HA H 1 4.224 0.006 . 1 . . . . 137 ASN HA . 16009 1 1721 . 1 1 139 139 ASN HB2 H 1 2.731 0.005 . 2 . . . . 137 ASN HB2 . 16009 1 1722 . 1 1 139 139 ASN HB3 H 1 2.869 0.007 . 2 . . . . 137 ASN HB3 . 16009 1 1723 . 1 1 139 139 ASN C C 13 178.809 0 . 1 . . . . 137 ASN C . 16009 1 1724 . 1 1 139 139 ASN CA C 13 54.492 0.023 . 1 . . . . 137 ASN CA . 16009 1 1725 . 1 1 139 139 ASN CB C 13 39.423 0.042 . 1 . . . . 137 ASN CB . 16009 1 1726 . 1 1 139 139 ASN N N 15 126.338 0.024 . 1 . . . . 137 ASN N . 16009 1 stop_ save_