data_16748 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16748 _Entry.Title ; Complete 1H, 13C, and 15N Chemical Shift Assignments for AafA-dsc ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-02 _Entry.Accession_date 2010-03-02 _Entry.Last_release_date 2011-06-09 _Entry.Original_release_date 2011-06-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Steve Matthews . J . 16748 2 Yi Yang . . . 16748 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Imperial College London' . 16748 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16748 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 607 16748 '15N chemical shifts' 136 16748 '1H chemical shifts' 944 16748 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-06-09 2010-03-02 original author . 16748 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16748 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20814767 _Citation.Full_citation . _Citation.Title 'Complete 1H, 13C and 15N NMR assignments for donor-strand complemented AafA, the major pilin of aggregative adherence fimbriae (AAF/II) from enteroaggregative E. coli' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 5 _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 1 _Citation.Page_last 5 _Citation.Year 2011 _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 Yi Yang . J. . 16748 1 2 Andrea Berry . P. . 16748 1 3 Wei-Chao Lee . J. . 16748 1 4 James Garnett . P. . 16748 1 5 Jan Marchant . J. . 16748 1 6 Jonathan Levine . P. . 16748 1 7 Peter Simpson . J. . 16748 1 8 Sarah Fogel . P. . 16748 1 9 Kristen Varney . J. . 16748 1 10 Steven Matthews . P. . 16748 1 11 James Nataro . J. . 16748 1 12 Keith Inman . P. . 16748 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AafA-dsc 16748 1 NMR 16748 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16748 _Assembly.ID 1 _Assembly.Name AafA-dsc _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 AafA-dsc 1 $AafA-dsc A . yes native no no . . . 16748 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 15 15 SG . 1 . 1 CYS 47 47 SG . . . . . . . . . . 16748 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AafA-dsc _Entity.Sf_category entity _Entity.Sf_framecode AafA-dsc _Entity.Entry_ID 16748 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AafA-dsc _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 ; MRGSHHHHHHGSNFCDITIT PATNRDVNVDRSANIDLSFT IRQPQRCADAGMRIKAWGEA NHGQLLIKPQGGNKSAGFTL ASPRFSYIPNNPANIMNGFV LTNPGVYQLGMQGSITPAIP LRPGLYEVVLNAELVTNDNK QNATAVAKTATSTITVV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 157 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Major pilin subunit of AAF/II fimbriae' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16942.1 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25001 . entity . . . . . 92.36 145 100.00 100.00 8.17e-101 . . . . 16748 1 2 no PDB 2MPV . "Structural Insight Into Host Recognition And Biofilm Formation By Aggregative Adherence Fimbriae Of Enteroaggregative Esherichi" . . . . . 92.36 145 100.00 100.00 8.17e-101 . . . . 16748 1 3 no GB AAB82330 . "major fimbrial subunit of aggregative adherence fimbria II AafA [Escherichia coli 042]" . . . . . 79.62 160 100.00 100.00 9.95e-88 . . . . 16748 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Adhesin 16748 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID @ abbreviation 16748 1 @ common 16748 1 @ variant 16748 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 -11 MET . 16748 1 2 -10 ARG . 16748 1 3 -9 GLY . 16748 1 4 -8 SER . 16748 1 5 -7 HIS . 16748 1 6 -6 HIS . 16748 1 7 -5 HIS . 16748 1 8 -4 HIS . 16748 1 9 -3 HIS . 16748 1 10 -2 HIS . 16748 1 11 -1 GLY . 16748 1 12 0 SER . 16748 1 13 1 ASN . 16748 1 14 2 PHE . 16748 1 15 3 CYS . 16748 1 16 4 ASP . 16748 1 17 5 ILE . 16748 1 18 6 THR . 16748 1 19 7 ILE . 16748 1 20 8 THR . 16748 1 21 9 PRO . 16748 1 22 10 ALA . 16748 1 23 11 THR . 16748 1 24 12 ASN . 16748 1 25 13 ARG . 16748 1 26 14 ASP . 16748 1 27 15 VAL . 16748 1 28 16 ASN . 16748 1 29 17 VAL . 16748 1 30 18 ASP . 16748 1 31 19 ARG . 16748 1 32 20 SER . 16748 1 33 21 ALA . 16748 1 34 22 ASN . 16748 1 35 23 ILE . 16748 1 36 24 ASP . 16748 1 37 25 LEU . 16748 1 38 26 SER . 16748 1 39 27 PHE . 16748 1 40 28 THR . 16748 1 41 29 ILE . 16748 1 42 30 ARG . 16748 1 43 31 GLN . 16748 1 44 32 PRO . 16748 1 45 33 GLN . 16748 1 46 34 ARG . 16748 1 47 35 CYS . 16748 1 48 36 ALA . 16748 1 49 37 ASP . 16748 1 50 38 ALA . 16748 1 51 39 GLY . 16748 1 52 40 MET . 16748 1 53 41 ARG . 16748 1 54 42 ILE . 16748 1 55 43 LYS . 16748 1 56 44 ALA . 16748 1 57 45 TRP . 16748 1 58 46 GLY . 16748 1 59 47 GLU . 16748 1 60 48 ALA . 16748 1 61 49 ASN . 16748 1 62 50 HIS . 16748 1 63 51 GLY . 16748 1 64 52 GLN . 16748 1 65 53 LEU . 16748 1 66 54 LEU . 16748 1 67 55 ILE . 16748 1 68 56 LYS . 16748 1 69 57 PRO . 16748 1 70 58 GLN . 16748 1 71 59 GLY . 16748 1 72 60 GLY . 16748 1 73 61 ASN . 16748 1 74 62 LYS . 16748 1 75 63 SER . 16748 1 76 64 ALA . 16748 1 77 65 GLY . 16748 1 78 66 PHE . 16748 1 79 67 THR . 16748 1 80 68 LEU . 16748 1 81 69 ALA . 16748 1 82 70 SER . 16748 1 83 71 PRO . 16748 1 84 72 ARG . 16748 1 85 73 PHE . 16748 1 86 74 SER . 16748 1 87 75 TYR . 16748 1 88 76 ILE . 16748 1 89 77 PRO . 16748 1 90 78 ASN . 16748 1 91 79 ASN . 16748 1 92 80 PRO . 16748 1 93 81 ALA . 16748 1 94 82 ASN . 16748 1 95 83 ILE . 16748 1 96 84 MET . 16748 1 97 85 ASN . 16748 1 98 86 GLY . 16748 1 99 87 PHE . 16748 1 100 88 VAL . 16748 1 101 89 LEU . 16748 1 102 90 THR . 16748 1 103 91 ASN . 16748 1 104 92 PRO . 16748 1 105 93 GLY . 16748 1 106 94 VAL . 16748 1 107 95 TYR . 16748 1 108 96 GLN . 16748 1 109 97 LEU . 16748 1 110 98 GLY . 16748 1 111 99 MET . 16748 1 112 100 GLN . 16748 1 113 101 GLY . 16748 1 114 102 SER . 16748 1 115 103 ILE . 16748 1 116 104 THR . 16748 1 117 105 PRO . 16748 1 118 106 ALA . 16748 1 119 107 ILE . 16748 1 120 108 PRO . 16748 1 121 109 LEU . 16748 1 122 110 ARG . 16748 1 123 111 PRO . 16748 1 124 112 GLY . 16748 1 125 113 LEU . 16748 1 126 114 TYR . 16748 1 127 115 GLU . 16748 1 128 116 VAL . 16748 1 129 117 VAL . 16748 1 130 118 LEU . 16748 1 131 119 ASN . 16748 1 132 120 ALA . 16748 1 133 121 GLU . 16748 1 134 122 LEU . 16748 1 135 123 VAL . 16748 1 136 124 THR . 16748 1 137 125 ASN . 16748 1 138 126 ASP . 16748 1 139 127 ASN . 16748 1 140 128 LYS . 16748 1 141 129 GLN . 16748 1 142 130 ASN . 16748 1 143 131 ALA . 16748 1 144 132 THR . 16748 1 145 133 ALA . 16748 1 146 134 VAL . 16748 1 147 135 ALA . 16748 1 148 136 LYS . 16748 1 149 137 THR . 16748 1 150 138 ALA . 16748 1 151 139 THR . 16748 1 152 140 SER . 16748 1 153 141 THR . 16748 1 154 142 ILE . 16748 1 155 143 THR . 16748 1 156 144 VAL . 16748 1 157 145 VAL . 16748 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16748 1 . ARG 2 2 16748 1 . GLY 3 3 16748 1 . SER 4 4 16748 1 . HIS 5 5 16748 1 . HIS 6 6 16748 1 . HIS 7 7 16748 1 . HIS 8 8 16748 1 . HIS 9 9 16748 1 . HIS 10 10 16748 1 . GLY 11 11 16748 1 . SER 12 12 16748 1 . ASN 13 13 16748 1 . PHE 14 14 16748 1 . CYS 15 15 16748 1 . ASP 16 16 16748 1 . ILE 17 17 16748 1 . THR 18 18 16748 1 . ILE 19 19 16748 1 . THR 20 20 16748 1 . PRO 21 21 16748 1 . ALA 22 22 16748 1 . THR 23 23 16748 1 . ASN 24 24 16748 1 . ARG 25 25 16748 1 . ASP 26 26 16748 1 . VAL 27 27 16748 1 . ASN 28 28 16748 1 . VAL 29 29 16748 1 . ASP 30 30 16748 1 . ARG 31 31 16748 1 . SER 32 32 16748 1 . ALA 33 33 16748 1 . ASN 34 34 16748 1 . ILE 35 35 16748 1 . ASP 36 36 16748 1 . LEU 37 37 16748 1 . SER 38 38 16748 1 . PHE 39 39 16748 1 . THR 40 40 16748 1 . ILE 41 41 16748 1 . ARG 42 42 16748 1 . GLN 43 43 16748 1 . PRO 44 44 16748 1 . GLN 45 45 16748 1 . ARG 46 46 16748 1 . CYS 47 47 16748 1 . ALA 48 48 16748 1 . ASP 49 49 16748 1 . ALA 50 50 16748 1 . GLY 51 51 16748 1 . MET 52 52 16748 1 . ARG 53 53 16748 1 . ILE 54 54 16748 1 . LYS 55 55 16748 1 . ALA 56 56 16748 1 . TRP 57 57 16748 1 . GLY 58 58 16748 1 . GLU 59 59 16748 1 . ALA 60 60 16748 1 . ASN 61 61 16748 1 . HIS 62 62 16748 1 . GLY 63 63 16748 1 . GLN 64 64 16748 1 . LEU 65 65 16748 1 . LEU 66 66 16748 1 . ILE 67 67 16748 1 . LYS 68 68 16748 1 . PRO 69 69 16748 1 . GLN 70 70 16748 1 . GLY 71 71 16748 1 . GLY 72 72 16748 1 . ASN 73 73 16748 1 . LYS 74 74 16748 1 . SER 75 75 16748 1 . ALA 76 76 16748 1 . GLY 77 77 16748 1 . PHE 78 78 16748 1 . THR 79 79 16748 1 . LEU 80 80 16748 1 . ALA 81 81 16748 1 . SER 82 82 16748 1 . PRO 83 83 16748 1 . ARG 84 84 16748 1 . PHE 85 85 16748 1 . SER 86 86 16748 1 . TYR 87 87 16748 1 . ILE 88 88 16748 1 . PRO 89 89 16748 1 . ASN 90 90 16748 1 . ASN 91 91 16748 1 . PRO 92 92 16748 1 . ALA 93 93 16748 1 . ASN 94 94 16748 1 . ILE 95 95 16748 1 . MET 96 96 16748 1 . ASN 97 97 16748 1 . GLY 98 98 16748 1 . PHE 99 99 16748 1 . VAL 100 100 16748 1 . LEU 101 101 16748 1 . THR 102 102 16748 1 . ASN 103 103 16748 1 . PRO 104 104 16748 1 . GLY 105 105 16748 1 . VAL 106 106 16748 1 . TYR 107 107 16748 1 . GLN 108 108 16748 1 . LEU 109 109 16748 1 . GLY 110 110 16748 1 . MET 111 111 16748 1 . GLN 112 112 16748 1 . GLY 113 113 16748 1 . SER 114 114 16748 1 . ILE 115 115 16748 1 . THR 116 116 16748 1 . PRO 117 117 16748 1 . ALA 118 118 16748 1 . ILE 119 119 16748 1 . PRO 120 120 16748 1 . LEU 121 121 16748 1 . ARG 122 122 16748 1 . PRO 123 123 16748 1 . GLY 124 124 16748 1 . LEU 125 125 16748 1 . TYR 126 126 16748 1 . GLU 127 127 16748 1 . VAL 128 128 16748 1 . VAL 129 129 16748 1 . LEU 130 130 16748 1 . ASN 131 131 16748 1 . ALA 132 132 16748 1 . GLU 133 133 16748 1 . LEU 134 134 16748 1 . VAL 135 135 16748 1 . THR 136 136 16748 1 . ASN 137 137 16748 1 . ASP 138 138 16748 1 . ASN 139 139 16748 1 . LYS 140 140 16748 1 . GLN 141 141 16748 1 . ASN 142 142 16748 1 . ALA 143 143 16748 1 . THR 144 144 16748 1 . ALA 145 145 16748 1 . VAL 146 146 16748 1 . ALA 147 147 16748 1 . LYS 148 148 16748 1 . THR 149 149 16748 1 . ALA 150 150 16748 1 . THR 151 151 16748 1 . SER 152 152 16748 1 . THR 153 153 16748 1 . ILE 154 154 16748 1 . THR 155 155 16748 1 . VAL 156 156 16748 1 . VAL 157 157 16748 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 16748 _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 $AafA-dsc . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli 'Enteroaggregative E. coli' . . . . . . . . . . . . . . . . . . . . 16748 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 16748 _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 $AafA-dsc . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pQE-30 . . . . . . 16748 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_AafA-dsc _Sample.Sf_category sample _Sample.Sf_framecode sample_AafA-dsc _Sample.Entry_ID 16748 _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 AafA-dsc '[U-100% 13C; U-100% 15N]' . . 1 $AafA-dsc . . 500 . . uM . . . . 16748 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16748 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16748 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 16748 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 16748 1 pH 5 . pH 16748 1 pressure 1 . atm 16748 1 temperature 308 . K 16748 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16748 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'One Moon Scientific, Inc' . . 16748 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16748 1 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 16748 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16748 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 16748 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 16748 _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_AafA-dsc isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16748 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_AafA-dsc isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16748 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_AafA-dsc isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16748 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_AafA-dsc isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16748 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_AafA-dsc isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16748 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_AafA-dsc isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16748 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_AafA-dsc isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16748 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_AafA-dsc isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16748 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_AafA-dsc isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16748 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 16748 _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 water protons . . . . ppm 4.8 internal indirect . . . . . . . . . . 16748 1 H 1 water protons . . . . ppm 4.8 internal direct 1 . . . . . . . . . 16748 1 N 15 water protons . . . . ppm 4.8 internal indirect . . . . . . . . . . 16748 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_assignments_aafa _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_aafa _Assigned_chem_shift_list.Entry_ID 16748 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16748 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 13 13 ASN H H 1 8.524 . . 1 . . . . 1 ASN HN . 16748 1 2 . 1 1 13 13 ASN HA H 1 4.729 . . 1 . . . . 1 ASN HA . 16748 1 3 . 1 1 13 13 ASN HB2 H 1 2.736 . . 2 . . . . 1 ASN HB1 . 16748 1 4 . 1 1 13 13 ASN HB3 H 1 2.736 . . 2 . . . . 1 ASN HB2 . 16748 1 5 . 1 1 13 13 ASN C C 13 174.663 . . 1 . . . . 1 ASN C . 16748 1 6 . 1 1 13 13 ASN CA C 13 53.031 . . 1 . . . . 1 ASN CA . 16748 1 7 . 1 1 13 13 ASN CB C 13 39.003 . . 1 . . . . 1 ASN CB . 16748 1 8 . 1 1 13 13 ASN N N 15 121.681 . . 1 . . . . 1 ASN N . 16748 1 9 . 1 1 14 14 PHE H H 1 8.075 . . 1 . . . . 2 PHE HN . 16748 1 10 . 1 1 14 14 PHE HA H 1 4.519 . . 1 . . . . 2 PHE HA . 16748 1 11 . 1 1 14 14 PHE HB2 H 1 3.055 . . 2 . . . . 2 PHE HB1 . 16748 1 12 . 1 1 14 14 PHE HB3 H 1 3.065 . . 2 . . . . 2 PHE HB2 . 16748 1 13 . 1 1 14 14 PHE HD1 H 1 7.150 . . 3 . . . . 2 PHE HD1 . 16748 1 14 . 1 1 14 14 PHE HD2 H 1 7.150 . . 3 . . . . 2 PHE HD2 . 16748 1 15 . 1 1 14 14 PHE HE1 H 1 7.319 . . 3 . . . . 2 PHE HE1 . 16748 1 16 . 1 1 14 14 PHE HE2 H 1 7.325 . . 3 . . . . 2 PHE HE2 . 16748 1 17 . 1 1 14 14 PHE C C 13 175.678 . . 1 . . . . 2 PHE C . 16748 1 18 . 1 1 14 14 PHE CA C 13 58.179 . . 1 . . . . 2 PHE CA . 16748 1 19 . 1 1 14 14 PHE CB C 13 39.213 . . 1 . . . . 2 PHE CB . 16748 1 20 . 1 1 14 14 PHE CD1 C 13 131.900 . . 3 . . . . 2 PHE CD1 . 16748 1 21 . 1 1 14 14 PHE CD2 C 13 131.900 . . 3 . . . . 2 PHE CD2 . 16748 1 22 . 1 1 14 14 PHE CE1 C 13 131.197 . . 3 . . . . 2 PHE CE1 . 16748 1 23 . 1 1 14 14 PHE N N 15 121.263 . . 1 . . . . 2 PHE N . 16748 1 24 . 1 1 15 15 CYS H H 1 8.311 . . 1 . . . . 3 CYS HN . 16748 1 25 . 1 1 15 15 CYS HA H 1 4.575 . . 1 . . . . 3 CYS HA . 16748 1 26 . 1 1 15 15 CYS HB2 H 1 2.878 . . 2 . . . . 3 CYS HB1 . 16748 1 27 . 1 1 15 15 CYS HB3 H 1 2.768 . . 2 . . . . 3 CYS HB2 . 16748 1 28 . 1 1 15 15 CYS C C 13 171.470 . . 1 . . . . 3 CYS C . 16748 1 29 . 1 1 15 15 CYS CA C 13 56.314 . . 1 . . . . 3 CYS CA . 16748 1 30 . 1 1 15 15 CYS CB C 13 44.599 . . 1 . . . . 3 CYS CB . 16748 1 31 . 1 1 15 15 CYS N N 15 122.374 . . 1 . . . . 3 CYS N . 16748 1 32 . 1 1 16 16 ASP H H 1 7.535 . . 1 . . . . 4 ASP HN . 16748 1 33 . 1 1 16 16 ASP HA H 1 4.792 . . 1 . . . . 4 ASP HA . 16748 1 34 . 1 1 16 16 ASP HB2 H 1 2.580 . . 2 . . . . 4 ASP HB1 . 16748 1 35 . 1 1 16 16 ASP HB3 H 1 2.580 . . 2 . . . . 4 ASP HB2 . 16748 1 36 . 1 1 16 16 ASP C C 13 174.529 . . 1 . . . . 4 ASP C . 16748 1 37 . 1 1 16 16 ASP CA C 13 52.396 . . 1 . . . . 4 ASP CA . 16748 1 38 . 1 1 16 16 ASP CB C 13 44.077 . . 1 . . . . 4 ASP CB . 16748 1 39 . 1 1 16 16 ASP N N 15 121.894 . . 1 . . . . 4 ASP N . 16748 1 40 . 1 1 17 17 ILE H H 1 8.960 . . 1 . . . . 5 ILE HN . 16748 1 41 . 1 1 17 17 ILE HA H 1 5.132 . . 1 . . . . 5 ILE HA . 16748 1 42 . 1 1 17 17 ILE HB H 1 1.517 . . 1 . . . . 5 ILE HB . 16748 1 43 . 1 1 17 17 ILE HD11 H 1 0.642 . . 1 . . . . 5 ILE HD11 . 16748 1 44 . 1 1 17 17 ILE HD12 H 1 0.642 . . 1 . . . . 5 ILE HD11 . 16748 1 45 . 1 1 17 17 ILE HD13 H 1 0.642 . . 1 . . . . 5 ILE HD11 . 16748 1 46 . 1 1 17 17 ILE HG12 H 1 1.419 . . 1 . . . . 5 ILE HG11 . 16748 1 47 . 1 1 17 17 ILE HG13 H 1 0.930 . . 1 . . . . 5 ILE HG12 . 16748 1 48 . 1 1 17 17 ILE HG21 H 1 0.783 . . 1 . . . . 5 ILE HG21 . 16748 1 49 . 1 1 17 17 ILE HG22 H 1 0.783 . . 1 . . . . 5 ILE HG21 . 16748 1 50 . 1 1 17 17 ILE HG23 H 1 0.783 . . 1 . . . . 5 ILE HG21 . 16748 1 51 . 1 1 17 17 ILE C C 13 175.275 . . 1 . . . . 5 ILE C . 16748 1 52 . 1 1 17 17 ILE CA C 13 58.487 . . 1 . . . . 5 ILE CA . 16748 1 53 . 1 1 17 17 ILE CB C 13 41.825 . . 1 . . . . 5 ILE CB . 16748 1 54 . 1 1 17 17 ILE CD1 C 13 15.031 . . 1 . . . . 5 ILE CD1 . 16748 1 55 . 1 1 17 17 ILE CG1 C 13 27.035 . . 1 . . . . 5 ILE CG1 . 16748 1 56 . 1 1 17 17 ILE CG2 C 13 19.414 . . 1 . . . . 5 ILE CG2 . 16748 1 57 . 1 1 17 17 ILE N N 15 113.965 . . 1 . . . . 5 ILE N . 16748 1 58 . 1 1 18 18 THR H H 1 8.744 . . 1 . . . . 6 THR HN . 16748 1 59 . 1 1 18 18 THR HA H 1 4.577 . . 1 . . . . 6 THR HA . 16748 1 60 . 1 1 18 18 THR HB H 1 3.898 . . 1 . . . . 6 THR HB . 16748 1 61 . 1 1 18 18 THR HG21 H 1 1.157 . . 1 . . . . 6 THR HG21 . 16748 1 62 . 1 1 18 18 THR HG22 H 1 1.157 . . 1 . . . . 6 THR HG21 . 16748 1 63 . 1 1 18 18 THR HG23 H 1 1.157 . . 1 . . . . 6 THR HG21 . 16748 1 64 . 1 1 18 18 THR C C 13 174.126 . . 1 . . . . 6 THR C . 16748 1 65 . 1 1 18 18 THR CA C 13 61.137 . . 1 . . . . 6 THR CA . 16748 1 66 . 1 1 18 18 THR CB C 13 71.237 . . 1 . . . . 6 THR CB . 16748 1 67 . 1 1 18 18 THR CG2 C 13 21.498 . . 1 . . . . 6 THR CG2 . 16748 1 68 . 1 1 18 18 THR N N 15 117.431 . . 1 . . . . 6 THR N . 16748 1 69 . 1 1 19 19 ILE H H 1 9.207 . . 1 . . . . 7 ILE HN . 16748 1 70 . 1 1 19 19 ILE HA H 1 4.874 . . 1 . . . . 7 ILE HA . 16748 1 71 . 1 1 19 19 ILE HB H 1 1.703 . . 1 . . . . 7 ILE HB . 16748 1 72 . 1 1 19 19 ILE HD11 H 1 0.630 . . 1 . . . . 7 ILE HD11 . 16748 1 73 . 1 1 19 19 ILE HD12 H 1 0.630 . . 1 . . . . 7 ILE HD11 . 16748 1 74 . 1 1 19 19 ILE HD13 H 1 0.630 . . 1 . . . . 7 ILE HD11 . 16748 1 75 . 1 1 19 19 ILE HG12 H 1 0.730 . . 1 . . . . 7 ILE HG11 . 16748 1 76 . 1 1 19 19 ILE HG13 H 1 0.730 . . 1 . . . . 7 ILE HG12 . 16748 1 77 . 1 1 19 19 ILE HG21 H 1 0.766 . . 1 . . . . 7 ILE HG21 . 16748 1 78 . 1 1 19 19 ILE HG22 H 1 0.766 . . 1 . . . . 7 ILE HG21 . 16748 1 79 . 1 1 19 19 ILE HG23 H 1 0.766 . . 1 . . . . 7 ILE HG21 . 16748 1 80 . 1 1 19 19 ILE C C 13 175.335 . . 1 . . . . 7 ILE C . 16748 1 81 . 1 1 19 19 ILE CA C 13 60.119 . . 1 . . . . 7 ILE CA . 16748 1 82 . 1 1 19 19 ILE CB C 13 40.644 . . 1 . . . . 7 ILE CB . 16748 1 83 . 1 1 19 19 ILE CD1 C 13 14.485 . . 1 . . . . 7 ILE CD1 . 16748 1 84 . 1 1 19 19 ILE CG1 C 13 27.217 . . 1 . . . . 7 ILE CG1 . 16748 1 85 . 1 1 19 19 ILE CG2 C 13 18.535 . . 1 . . . . 7 ILE CG2 . 16748 1 86 . 1 1 19 19 ILE N N 15 127.671 . . 1 . . . . 7 ILE N . 16748 1 87 . 1 1 20 20 THR H H 1 9.639 . . 1 . . . . 8 THR HN . 16748 1 88 . 1 1 20 20 THR HA H 1 4.840 . . 1 . . . . 8 THR HA . 16748 1 89 . 1 1 20 20 THR HB H 1 4.050 . . 1 . . . . 8 THR HB . 16748 1 90 . 1 1 20 20 THR HG21 H 1 1.240 . . 1 . . . . 8 THR HG21 . 16748 1 91 . 1 1 20 20 THR HG22 H 1 1.240 . . 1 . . . . 8 THR HG21 . 16748 1 92 . 1 1 20 20 THR HG23 H 1 1.240 . . 1 . . . . 8 THR HG21 . 16748 1 93 . 1 1 20 20 THR C C 13 173.037 . . 1 . . . . 8 THR C . 16748 1 94 . 1 1 20 20 THR CA C 13 59.138 . . 1 . . . . 8 THR CA . 16748 1 95 . 1 1 20 20 THR CB C 13 69.745 . . 1 . . . . 8 THR CB . 16748 1 96 . 1 1 20 20 THR CG2 C 13 21.330 . . 1 . . . . 8 THR CG2 . 16748 1 97 . 1 1 20 20 THR N N 15 127.487 . . 1 . . . . 8 THR N . 16748 1 98 . 1 1 21 21 PRO HA H 1 4.024 . . 1 . . . . 9 PRO HA . 16748 1 99 . 1 1 21 21 PRO HB2 H 1 2.525 . . 2 . . . . 9 PRO HB1 . 16748 1 100 . 1 1 21 21 PRO HB3 H 1 1.817 . . 2 . . . . 9 PRO HB2 . 16748 1 101 . 1 1 21 21 PRO HD2 H 1 3.720 . . 2 . . . . 9 PRO HD1 . 16748 1 102 . 1 1 21 21 PRO HD3 H 1 3.650 . . 2 . . . . 9 PRO HD2 . 16748 1 103 . 1 1 21 21 PRO HG2 H 1 1.906 . . 2 . . . . 9 PRO HG1 . 16748 1 104 . 1 1 21 21 PRO HG3 H 1 1.906 . . 2 . . . . 9 PRO HG2 . 16748 1 105 . 1 1 21 21 PRO CA C 13 64.800 . . 1 . . . . 9 PRO CA . 16748 1 106 . 1 1 21 21 PRO CB C 13 32.100 . . 1 . . . . 9 PRO CB . 16748 1 107 . 1 1 21 21 PRO CD C 13 51.100 . . 1 . . . . 9 PRO CD . 16748 1 108 . 1 1 21 21 PRO CG C 13 27.850 . . 1 . . . . 9 PRO CG . 16748 1 109 . 1 1 22 22 ALA H H 1 7.124 . . 1 . . . . 10 ALA HN . 16748 1 110 . 1 1 22 22 ALA HA H 1 4.116 . . 1 . . . . 10 ALA HA . 16748 1 111 . 1 1 22 22 ALA HB1 H 1 0.855 . . 1 . . . . 10 ALA HB1 . 16748 1 112 . 1 1 22 22 ALA HB2 H 1 0.855 . . 1 . . . . 10 ALA HB1 . 16748 1 113 . 1 1 22 22 ALA HB3 H 1 0.855 . . 1 . . . . 10 ALA HB1 . 16748 1 114 . 1 1 22 22 ALA C C 13 178.125 . . 1 . . . . 10 ALA C . 16748 1 115 . 1 1 22 22 ALA CA C 13 52.162 . . 1 . . . . 10 ALA CA . 16748 1 116 . 1 1 22 22 ALA CB C 13 19.410 . . 1 . . . . 10 ALA CB . 16748 1 117 . 1 1 22 22 ALA N N 15 115.347 . . 1 . . . . 10 ALA N . 16748 1 118 . 1 1 23 23 THR H H 1 8.134 . . 1 . . . . 11 THR HN . 16748 1 119 . 1 1 23 23 THR HA H 1 3.890 . . 1 . . . . 11 THR HA . 16748 1 120 . 1 1 23 23 THR HB H 1 4.000 . . 1 . . . . 11 THR HB . 16748 1 121 . 1 1 23 23 THR HG21 H 1 1.350 . . 1 . . . . 11 THR HG21 . 16748 1 122 . 1 1 23 23 THR HG22 H 1 1.350 . . 1 . . . . 11 THR HG21 . 16748 1 123 . 1 1 23 23 THR HG23 H 1 1.350 . . 1 . . . . 11 THR HG21 . 16748 1 124 . 1 1 23 23 THR C C 13 173.858 . . 1 . . . . 11 THR C . 16748 1 125 . 1 1 23 23 THR CA C 13 63.280 . . 1 . . . . 11 THR CA . 16748 1 126 . 1 1 23 23 THR CB C 13 69.447 . . 1 . . . . 11 THR CB . 16748 1 127 . 1 1 23 23 THR CG2 C 13 22.010 . . 1 . . . . 11 THR CG2 . 16748 1 128 . 1 1 23 23 THR N N 15 119.720 . . 1 . . . . 11 THR N . 16748 1 129 . 1 1 24 24 ASN H H 1 8.498 . . 1 . . . . 12 ASN HN . 16748 1 130 . 1 1 24 24 ASN HA H 1 4.762 . . 1 . . . . 12 ASN HA . 16748 1 131 . 1 1 24 24 ASN HB2 H 1 2.926 . . 2 . . . . 12 ASN HB1 . 16748 1 132 . 1 1 24 24 ASN HB3 H 1 2.794 . . 2 . . . . 12 ASN HB2 . 16748 1 133 . 1 1 24 24 ASN C C 13 175.469 . . 1 . . . . 12 ASN C . 16748 1 134 . 1 1 24 24 ASN CA C 13 54.001 . . 1 . . . . 12 ASN CA . 16748 1 135 . 1 1 24 24 ASN CB C 13 38.107 . . 1 . . . . 12 ASN CB . 16748 1 136 . 1 1 24 24 ASN N N 15 126.579 . . 1 . . . . 12 ASN N . 16748 1 137 . 1 1 25 25 ARG H H 1 7.528 . . 1 . . . . 13 ARG HN . 16748 1 138 . 1 1 25 25 ARG HA H 1 4.809 . . 1 . . . . 13 ARG HA . 16748 1 139 . 1 1 25 25 ARG HB2 H 1 1.807 . . 2 . . . . 13 ARG HB1 . 16748 1 140 . 1 1 25 25 ARG HB3 H 1 1.802 . . 2 . . . . 13 ARG HB2 . 16748 1 141 . 1 1 25 25 ARG HD2 H 1 3.006 . . 2 . . . . 13 ARG HD1 . 16748 1 142 . 1 1 25 25 ARG HD3 H 1 3.006 . . 2 . . . . 13 ARG HD2 . 16748 1 143 . 1 1 25 25 ARG HG2 H 1 1.570 . . 2 . . . . 13 ARG HG1 . 16748 1 144 . 1 1 25 25 ARG HG3 H 1 1.395 . . 2 . . . . 13 ARG HG2 . 16748 1 145 . 1 1 25 25 ARG C C 13 173.678 . . 1 . . . . 13 ARG C . 16748 1 146 . 1 1 25 25 ARG CA C 13 54.708 . . 1 . . . . 13 ARG CA . 16748 1 147 . 1 1 25 25 ARG CB C 13 33.182 . . 1 . . . . 13 ARG CB . 16748 1 148 . 1 1 25 25 ARG CD C 13 42.369 . . 1 . . . . 13 ARG CD . 16748 1 149 . 1 1 25 25 ARG CG C 13 25.039 . . 1 . . . . 13 ARG CG . 16748 1 150 . 1 1 25 25 ARG N N 15 117.515 . . 1 . . . . 13 ARG N . 16748 1 151 . 1 1 26 26 ASP H H 1 8.366 . . 1 . . . . 14 ASP HN . 16748 1 152 . 1 1 26 26 ASP HA H 1 5.455 . . 1 . . . . 14 ASP HA . 16748 1 153 . 1 1 26 26 ASP HB2 H 1 2.993 . . 2 . . . . 14 ASP HB1 . 16748 1 154 . 1 1 26 26 ASP HB3 H 1 2.458 . . 2 . . . . 14 ASP HB2 . 16748 1 155 . 1 1 26 26 ASP C C 13 176.379 . . 1 . . . . 14 ASP C . 16748 1 156 . 1 1 26 26 ASP CA C 13 52.622 . . 1 . . . . 14 ASP CA . 16748 1 157 . 1 1 26 26 ASP CB C 13 40.917 . . 1 . . . . 14 ASP CB . 16748 1 158 . 1 1 26 26 ASP N N 15 121.830 . . 1 . . . . 14 ASP N . 16748 1 159 . 1 1 27 27 VAL H H 1 8.360 . . 1 . . . . 15 VAL HN . 16748 1 160 . 1 1 27 27 VAL HA H 1 3.367 . . 1 . . . . 15 VAL HA . 16748 1 161 . 1 1 27 27 VAL HB H 1 1.957 . . 1 . . . . 15 VAL HB . 16748 1 162 . 1 1 27 27 VAL HG11 H 1 0.963 . . 2 . . . . 15 VAL HG11 . 16748 1 163 . 1 1 27 27 VAL HG12 H 1 0.963 . . 2 . . . . 15 VAL HG11 . 16748 1 164 . 1 1 27 27 VAL HG13 H 1 0.963 . . 2 . . . . 15 VAL HG11 . 16748 1 165 . 1 1 27 27 VAL HG21 H 1 0.939 . . 2 . . . . 15 VAL HG21 . 16748 1 166 . 1 1 27 27 VAL HG22 H 1 0.939 . . 2 . . . . 15 VAL HG21 . 16748 1 167 . 1 1 27 27 VAL HG23 H 1 0.939 . . 2 . . . . 15 VAL HG21 . 16748 1 168 . 1 1 27 27 VAL C C 13 173.276 . . 1 . . . . 15 VAL C . 16748 1 169 . 1 1 27 27 VAL CA C 13 65.868 . . 1 . . . . 15 VAL CA . 16748 1 170 . 1 1 27 27 VAL CB C 13 32.298 . . 1 . . . . 15 VAL CB . 16748 1 171 . 1 1 27 27 VAL CG1 C 13 22.540 . . 1 . . . . 15 VAL CG1 . 16748 1 172 . 1 1 27 27 VAL CG2 C 13 20.957 . . 1 . . . . 15 VAL CG2 . 16748 1 173 . 1 1 27 27 VAL N N 15 120.716 . . 1 . . . . 15 VAL N . 16748 1 174 . 1 1 28 28 ASN H H 1 8.163 . . 1 . . . . 16 ASN HN . 16748 1 175 . 1 1 28 28 ASN HA H 1 5.767 . . 1 . . . . 16 ASN HA . 16748 1 176 . 1 1 28 28 ASN HB2 H 1 2.538 . . 2 . . . . 16 ASN HB1 . 16748 1 177 . 1 1 28 28 ASN HB3 H 1 2.538 . . 2 . . . . 16 ASN HB2 . 16748 1 178 . 1 1 28 28 ASN CA C 13 52.531 . . 1 . . . . 16 ASN CA . 16748 1 179 . 1 1 28 28 ASN CB C 13 40.827 . . 1 . . . . 16 ASN CB . 16748 1 180 . 1 1 28 28 ASN N N 15 120.467 . . 1 . . . . 16 ASN N . 16748 1 181 . 1 1 29 29 VAL H H 1 9.312 . . 1 . . . . 17 VAL HN . 16748 1 182 . 1 1 29 29 VAL HA H 1 4.450 . . 1 . . . . 17 VAL HA . 16748 1 183 . 1 1 29 29 VAL HB H 1 1.944 . . 1 . . . . 17 VAL HB . 16748 1 184 . 1 1 29 29 VAL HG11 H 1 0.651 . . 2 . . . . 17 VAL HG11 . 16748 1 185 . 1 1 29 29 VAL HG12 H 1 0.651 . . 2 . . . . 17 VAL HG11 . 16748 1 186 . 1 1 29 29 VAL HG13 H 1 0.651 . . 2 . . . . 17 VAL HG11 . 16748 1 187 . 1 1 29 29 VAL HG21 H 1 0.762 . . 2 . . . . 17 VAL HG21 . 16748 1 188 . 1 1 29 29 VAL HG22 H 1 0.762 . . 2 . . . . 17 VAL HG21 . 16748 1 189 . 1 1 29 29 VAL HG23 H 1 0.762 . . 2 . . . . 17 VAL HG21 . 16748 1 190 . 1 1 29 29 VAL C C 13 173.276 . . 1 . . . . 17 VAL C . 16748 1 191 . 1 1 29 29 VAL CA C 13 59.448 . . 1 . . . . 17 VAL CA . 16748 1 192 . 1 1 29 29 VAL CB C 13 35.599 . . 1 . . . . 17 VAL CB . 16748 1 193 . 1 1 29 29 VAL CG1 C 13 21.750 . . 1 . . . . 17 VAL CG1 . 16748 1 194 . 1 1 29 29 VAL CG2 C 13 21.800 . . 1 . . . . 17 VAL CG2 . 16748 1 195 . 1 1 29 29 VAL N N 15 119.323 . . 1 . . . . 17 VAL N . 16748 1 196 . 1 1 30 30 ASP H H 1 8.356 . . 1 . . . . 18 ASP HN . 16748 1 197 . 1 1 30 30 ASP HA H 1 4.804 . . 1 . . . . 18 ASP HA . 16748 1 198 . 1 1 30 30 ASP HB2 H 1 2.605 . . 2 . . . . 18 ASP HB1 . 16748 1 199 . 1 1 30 30 ASP HB3 H 1 2.533 . . 2 . . . . 18 ASP HB2 . 16748 1 200 . 1 1 30 30 ASP C C 13 174.275 . . 1 . . . . 18 ASP C . 16748 1 201 . 1 1 30 30 ASP CA C 13 53.384 . . 1 . . . . 18 ASP CA . 16748 1 202 . 1 1 30 30 ASP CB C 13 40.495 . . 1 . . . . 18 ASP CB . 16748 1 203 . 1 1 30 30 ASP N N 15 120.967 . . 1 . . . . 18 ASP N . 16748 1 204 . 1 1 31 31 ARG H H 1 8.227 . . 1 . . . . 19 ARG HN . 16748 1 205 . 1 1 31 31 ARG HA H 1 4.605 . . 1 . . . . 19 ARG HA . 16748 1 206 . 1 1 31 31 ARG HB2 H 1 1.824 . . 2 . . . . 19 ARG HB1 . 16748 1 207 . 1 1 31 31 ARG HB3 H 1 1.690 . . 2 . . . . 19 ARG HB2 . 16748 1 208 . 1 1 31 31 ARG HD2 H 1 3.016 . . 2 . . . . 19 ARG HD1 . 16748 1 209 . 1 1 31 31 ARG HD3 H 1 3.016 . . 2 . . . . 19 ARG HD2 . 16748 1 210 . 1 1 31 31 ARG HG2 H 1 1.440 . . 2 . . . . 19 ARG HG1 . 16748 1 211 . 1 1 31 31 ARG HG3 H 1 1.440 . . 2 . . . . 19 ARG HG2 . 16748 1 212 . 1 1 31 31 ARG C C 13 175.419 . . 1 . . . . 19 ARG C . 16748 1 213 . 1 1 31 31 ARG CA C 13 55.190 . . 1 . . . . 19 ARG CA . 16748 1 214 . 1 1 31 31 ARG CB C 13 32.421 . . 1 . . . . 19 ARG CB . 16748 1 215 . 1 1 31 31 ARG CD C 13 42.100 . . 1 . . . . 19 ARG CD . 16748 1 216 . 1 1 31 31 ARG CG C 13 26.680 . . 1 . . . . 19 ARG CG . 16748 1 217 . 1 1 31 31 ARG N N 15 123.054 . . 1 . . . . 19 ARG N . 16748 1 218 . 1 1 32 32 SER H H 1 8.676 . . 1 . . . . 20 SER HN . 16748 1 219 . 1 1 32 32 SER HA H 1 4.580 . . 1 . . . . 20 SER HA . 16748 1 220 . 1 1 32 32 SER HB2 H 1 3.934 . . 2 . . . . 20 SER HB1 . 16748 1 221 . 1 1 32 32 SER HB3 H 1 3.782 . . 2 . . . . 20 SER HB2 . 16748 1 222 . 1 1 32 32 SER C C 13 173.126 . . 1 . . . . 20 SER C . 16748 1 223 . 1 1 32 32 SER CA C 13 57.806 . . 1 . . . . 20 SER CA . 16748 1 224 . 1 1 32 32 SER CB C 13 64.596 . . 1 . . . . 20 SER CB . 16748 1 225 . 1 1 32 32 SER N N 15 113.960 . . 1 . . . . 20 SER N . 16748 1 226 . 1 1 33 33 ALA H H 1 7.509 . . 1 . . . . 21 ALA HN . 16748 1 227 . 1 1 33 33 ALA HA H 1 4.661 . . 1 . . . . 21 ALA HA . 16748 1 228 . 1 1 33 33 ALA HB1 H 1 1.409 . . 1 . . . . 21 ALA HB1 . 16748 1 229 . 1 1 33 33 ALA HB2 H 1 1.409 . . 1 . . . . 21 ALA HB1 . 16748 1 230 . 1 1 33 33 ALA HB3 H 1 1.409 . . 1 . . . . 21 ALA HB1 . 16748 1 231 . 1 1 33 33 ALA C C 13 176.782 . . 1 . . . . 21 ALA C . 16748 1 232 . 1 1 33 33 ALA CA C 13 50.643 . . 1 . . . . 21 ALA CA . 16748 1 233 . 1 1 33 33 ALA CB C 13 22.563 . . 1 . . . . 21 ALA CB . 16748 1 234 . 1 1 33 33 ALA N N 15 124.221 . . 1 . . . . 21 ALA N . 16748 1 235 . 1 1 34 34 ASN H H 1 8.839 . . 1 . . . . 22 ASN HN . 16748 1 236 . 1 1 34 34 ASN HA H 1 4.715 . . 1 . . . . 22 ASN HA . 16748 1 237 . 1 1 34 34 ASN HB2 H 1 2.810 . . 2 . . . . 22 ASN HB1 . 16748 1 238 . 1 1 34 34 ASN HB3 H 1 2.400 . . 2 . . . . 22 ASN HB2 . 16748 1 239 . 1 1 34 34 ASN C C 13 175.051 . . 1 . . . . 22 ASN C . 16748 1 240 . 1 1 34 34 ASN CA C 13 53.255 . . 1 . . . . 22 ASN CA . 16748 1 241 . 1 1 34 34 ASN CB C 13 38.779 . . 1 . . . . 22 ASN CB . 16748 1 242 . 1 1 34 34 ASN N N 15 121.425 . . 1 . . . . 22 ASN N . 16748 1 243 . 1 1 35 35 ILE H H 1 8.164 . . 1 . . . . 23 ILE HN . 16748 1 244 . 1 1 35 35 ILE HA H 1 4.272 . . 1 . . . . 23 ILE HA . 16748 1 245 . 1 1 35 35 ILE HB H 1 1.752 . . 1 . . . . 23 ILE HB . 16748 1 246 . 1 1 35 35 ILE HD11 H 1 0.717 . . 1 . . . . 23 ILE HD11 . 16748 1 247 . 1 1 35 35 ILE HD12 H 1 0.717 . . 1 . . . . 23 ILE HD11 . 16748 1 248 . 1 1 35 35 ILE HD13 H 1 0.717 . . 1 . . . . 23 ILE HD11 . 16748 1 249 . 1 1 35 35 ILE HG12 H 1 1.415 . . 1 . . . . 23 ILE HG11 . 16748 1 250 . 1 1 35 35 ILE HG13 H 1 1.340 . . 1 . . . . 23 ILE HG12 . 16748 1 251 . 1 1 35 35 ILE HG21 H 1 0.761 . . 1 . . . . 23 ILE HG21 . 16748 1 252 . 1 1 35 35 ILE HG22 H 1 0.761 . . 1 . . . . 23 ILE HG21 . 16748 1 253 . 1 1 35 35 ILE HG23 H 1 0.761 . . 1 . . . . 23 ILE HG21 . 16748 1 254 . 1 1 35 35 ILE C C 13 174.499 . . 1 . . . . 23 ILE C . 16748 1 255 . 1 1 35 35 ILE CA C 13 59.299 . . 1 . . . . 23 ILE CA . 16748 1 256 . 1 1 35 35 ILE CB C 13 39.823 . . 1 . . . . 23 ILE CB . 16748 1 257 . 1 1 35 35 ILE CD1 C 13 13.154 . . 1 . . . . 23 ILE CD1 . 16748 1 258 . 1 1 35 35 ILE CG1 C 13 26.854 . . 1 . . . . 23 ILE CG1 . 16748 1 259 . 1 1 35 35 ILE CG2 C 13 17.304 . . 1 . . . . 23 ILE CG2 . 16748 1 260 . 1 1 35 35 ILE N N 15 121.521 . . 1 . . . . 23 ILE N . 16748 1 261 . 1 1 36 36 ASP H H 1 8.930 . . 1 . . . . 24 ASP HN . 16748 1 262 . 1 1 36 36 ASP HA H 1 4.991 . . 1 . . . . 24 ASP HA . 16748 1 263 . 1 1 36 36 ASP HB2 H 1 2.501 . . 2 . . . . 24 ASP HB1 . 16748 1 264 . 1 1 36 36 ASP HB3 H 1 2.218 . . 2 . . . . 24 ASP HB2 . 16748 1 265 . 1 1 36 36 ASP C C 13 174.753 . . 1 . . . . 24 ASP C . 16748 1 266 . 1 1 36 36 ASP CA C 13 54.150 . . 1 . . . . 24 ASP CA . 16748 1 267 . 1 1 36 36 ASP CB C 13 41.838 . . 1 . . . . 24 ASP CB . 16748 1 268 . 1 1 36 36 ASP N N 15 129.853 . . 1 . . . . 24 ASP N . 16748 1 269 . 1 1 37 37 LEU H H 1 8.898 . . 1 . . . . 25 LEU HN . 16748 1 270 . 1 1 37 37 LEU HA H 1 4.589 . . 1 . . . . 25 LEU HA . 16748 1 271 . 1 1 37 37 LEU HB2 H 1 1.815 . . 2 . . . . 25 LEU HB1 . 16748 1 272 . 1 1 37 37 LEU HB3 H 1 1.131 . . 2 . . . . 25 LEU HB2 . 16748 1 273 . 1 1 37 37 LEU HD11 H 1 0.725 . . 2 . . . . 25 LEU HD11 . 16748 1 274 . 1 1 37 37 LEU HD12 H 1 0.725 . . 2 . . . . 25 LEU HD11 . 16748 1 275 . 1 1 37 37 LEU HD13 H 1 0.725 . . 2 . . . . 25 LEU HD11 . 16748 1 276 . 1 1 37 37 LEU HD21 H 1 0.730 . . 2 . . . . 25 LEU HD21 . 16748 1 277 . 1 1 37 37 LEU HD22 H 1 0.730 . . 2 . . . . 25 LEU HD21 . 16748 1 278 . 1 1 37 37 LEU HD23 H 1 0.730 . . 2 . . . . 25 LEU HD21 . 16748 1 279 . 1 1 37 37 LEU HG H 1 1.560 . . 1 . . . . 25 LEU HG . 16748 1 280 . 1 1 37 37 LEU C C 13 174.544 . . 1 . . . . 25 LEU C . 16748 1 281 . 1 1 37 37 LEU CA C 13 53.852 . . 1 . . . . 25 LEU CA . 16748 1 282 . 1 1 37 37 LEU CB C 13 43.554 . . 1 . . . . 25 LEU CB . 16748 1 283 . 1 1 37 37 LEU CD1 C 13 24.132 . . 1 . . . . 25 LEU CD1 . 16748 1 284 . 1 1 37 37 LEU CD2 C 13 24.132 . . 1 . . . . 25 LEU CD2 . 16748 1 285 . 1 1 37 37 LEU CG C 13 26.760 . . 1 . . . . 25 LEU CG . 16748 1 286 . 1 1 37 37 LEU N N 15 124.602 . . 1 . . . . 25 LEU N . 16748 1 287 . 1 1 38 38 SER H H 1 8.243 . . 1 . . . . 26 SER HN . 16748 1 288 . 1 1 38 38 SER HA H 1 5.170 . . 1 . . . . 26 SER HA . 16748 1 289 . 1 1 38 38 SER HB2 H 1 3.675 . . 2 . . . . 26 SER HB1 . 16748 1 290 . 1 1 38 38 SER HB3 H 1 3.581 . . 2 . . . . 26 SER HB2 . 16748 1 291 . 1 1 38 38 SER C C 13 172.873 . . 1 . . . . 26 SER C . 16748 1 292 . 1 1 38 38 SER CA C 13 57.060 . . 1 . . . . 26 SER CA . 16748 1 293 . 1 1 38 38 SER CB C 13 64.580 . . 1 . . . . 26 SER CB . 16748 1 294 . 1 1 38 38 SER N N 15 117.753 . . 1 . . . . 26 SER N . 16748 1 295 . 1 1 39 39 PHE H H 1 9.103 . . 1 . . . . 27 PHE HN . 16748 1 296 . 1 1 39 39 PHE HA H 1 4.886 . . 1 . . . . 27 PHE HA . 16748 1 297 . 1 1 39 39 PHE HB2 H 1 3.019 . . 2 . . . . 27 PHE HB1 . 16748 1 298 . 1 1 39 39 PHE HB3 H 1 2.512 . . 2 . . . . 27 PHE HB2 . 16748 1 299 . 1 1 39 39 PHE HD1 H 1 7.050 . . 3 . . . . 27 PHE HD1 . 16748 1 300 . 1 1 39 39 PHE HD2 H 1 7.050 . . 3 . . . . 27 PHE HD2 . 16748 1 301 . 1 1 39 39 PHE HE1 H 1 7.040 . . 3 . . . . 27 PHE HE1 . 16748 1 302 . 1 1 39 39 PHE HE2 H 1 7.105 . . 3 . . . . 27 PHE HE2 . 16748 1 303 . 1 1 39 39 PHE C C 13 175.932 . . 1 . . . . 27 PHE C . 16748 1 304 . 1 1 39 39 PHE CA C 13 56.130 . . 1 . . . . 27 PHE CA . 16748 1 305 . 1 1 39 39 PHE CB C 13 43.480 . . 1 . . . . 27 PHE CB . 16748 1 306 . 1 1 39 39 PHE CD1 C 13 132.291 . . 3 . . . . 27 PHE CD1 . 16748 1 307 . 1 1 39 39 PHE CD2 C 13 132.291 . . 3 . . . . 27 PHE CD2 . 16748 1 308 . 1 1 39 39 PHE CE1 C 13 130.700 . . 3 . . . . 27 PHE CE1 . 16748 1 309 . 1 1 39 39 PHE CE2 C 13 130.700 . . 3 . . . . 27 PHE CE2 . 16748 1 310 . 1 1 39 39 PHE N N 15 125.074 . . 1 . . . . 27 PHE N . 16748 1 311 . 1 1 40 40 THR H H 1 8.319 . . 1 . . . . 28 THR HN . 16748 1 312 . 1 1 40 40 THR HA H 1 5.193 . . 1 . . . . 28 THR HA . 16748 1 313 . 1 1 40 40 THR HB H 1 3.819 . . 1 . . . . 28 THR HB . 16748 1 314 . 1 1 40 40 THR HG21 H 1 1.076 . . 1 . . . . 28 THR HG21 . 16748 1 315 . 1 1 40 40 THR HG22 H 1 1.076 . . 1 . . . . 28 THR HG21 . 16748 1 316 . 1 1 40 40 THR HG23 H 1 1.076 . . 1 . . . . 28 THR HG21 . 16748 1 317 . 1 1 40 40 THR C C 13 172.709 . . 1 . . . . 28 THR C . 16748 1 318 . 1 1 40 40 THR CA C 13 61.836 . . 1 . . . . 28 THR CA . 16748 1 319 . 1 1 40 40 THR CB C 13 71.014 . . 1 . . . . 28 THR CB . 16748 1 320 . 1 1 40 40 THR CG2 C 13 22.155 . . 1 . . . . 28 THR CG2 . 16748 1 321 . 1 1 40 40 THR N N 15 116.716 . . 1 . . . . 28 THR N . 16748 1 322 . 1 1 41 41 ILE H H 1 9.793 . . 1 . . . . 29 ILE HN . 16748 1 323 . 1 1 41 41 ILE HA H 1 4.907 . . 1 . . . . 29 ILE HA . 16748 1 324 . 1 1 41 41 ILE HB H 1 1.815 . . 1 . . . . 29 ILE HB . 16748 1 325 . 1 1 41 41 ILE HD11 H 1 0.817 . . 1 . . . . 29 ILE HD11 . 16748 1 326 . 1 1 41 41 ILE HD12 H 1 0.817 . . 1 . . . . 29 ILE HD11 . 16748 1 327 . 1 1 41 41 ILE HD13 H 1 0.817 . . 1 . . . . 29 ILE HD11 . 16748 1 328 . 1 1 41 41 ILE HG12 H 1 1.431 . . 1 . . . . 29 ILE HG11 . 16748 1 329 . 1 1 41 41 ILE HG13 H 1 0.875 . . 1 . . . . 29 ILE HG12 . 16748 1 330 . 1 1 41 41 ILE HG21 H 1 0.806 . . 1 . . . . 29 ILE HG21 . 16748 1 331 . 1 1 41 41 ILE HG22 H 1 0.806 . . 1 . . . . 29 ILE HG21 . 16748 1 332 . 1 1 41 41 ILE HG23 H 1 0.806 . . 1 . . . . 29 ILE HG21 . 16748 1 333 . 1 1 41 41 ILE C C 13 173.887 . . 1 . . . . 29 ILE C . 16748 1 334 . 1 1 41 41 ILE CA C 13 61.313 . . 1 . . . . 29 ILE CA . 16748 1 335 . 1 1 41 41 ILE CB C 13 41.258 . . 1 . . . . 29 ILE CB . 16748 1 336 . 1 1 41 41 ILE CD1 C 13 16.874 . . 1 . . . . 29 ILE CD1 . 16748 1 337 . 1 1 41 41 ILE CG1 C 13 29.394 . . 1 . . . . 29 ILE CG1 . 16748 1 338 . 1 1 41 41 ILE CG2 C 13 21.138 . . 1 . . . . 29 ILE CG2 . 16748 1 339 . 1 1 41 41 ILE N N 15 128.870 . . 1 . . . . 29 ILE N . 16748 1 340 . 1 1 42 42 ARG H H 1 8.714 . . 1 . . . . 30 ARG HN . 16748 1 341 . 1 1 42 42 ARG HA H 1 5.650 . . 1 . . . . 30 ARG HA . 16748 1 342 . 1 1 42 42 ARG HB2 H 1 1.880 . . 2 . . . . 30 ARG HB1 . 16748 1 343 . 1 1 42 42 ARG HB3 H 1 1.700 . . 2 . . . . 30 ARG HB2 . 16748 1 344 . 1 1 42 42 ARG HD2 H 1 3.290 . . 2 . . . . 30 ARG HD1 . 16748 1 345 . 1 1 42 42 ARG HD3 H 1 3.293 . . 2 . . . . 30 ARG HD2 . 16748 1 346 . 1 1 42 42 ARG HG2 H 1 1.664 . . 2 . . . . 30 ARG HG1 . 16748 1 347 . 1 1 42 42 ARG HG3 H 1 1.664 . . 2 . . . . 30 ARG HG2 . 16748 1 348 . 1 1 42 42 ARG C C 13 174.544 . . 1 . . . . 30 ARG C . 16748 1 349 . 1 1 42 42 ARG CA C 13 54.618 . . 1 . . . . 30 ARG CA . 16748 1 350 . 1 1 42 42 ARG CB C 13 35.496 . . 1 . . . . 30 ARG CB . 16748 1 351 . 1 1 42 42 ARG CD C 13 43.496 . . 1 . . . . 30 ARG CD . 16748 1 352 . 1 1 42 42 ARG CG C 13 28.036 . . 1 . . . . 30 ARG CG . 16748 1 353 . 1 1 42 42 ARG N N 15 126.108 . . 1 . . . . 30 ARG N . 16748 1 354 . 1 1 43 43 GLN H H 1 9.121 . . 1 . . . . 31 GLN HN . 16748 1 355 . 1 1 43 43 GLN HA H 1 5.530 . . 1 . . . . 31 GLN HA . 16748 1 356 . 1 1 43 43 GLN HB2 H 1 2.490 . . 2 . . . . 31 GLN HB1 . 16748 1 357 . 1 1 43 43 GLN HB3 H 1 1.620 . . 2 . . . . 31 GLN HB2 . 16748 1 358 . 1 1 43 43 GLN HG2 H 1 4.440 . . 2 . . . . 31 GLN HG1 . 16748 1 359 . 1 1 43 43 GLN HG3 H 1 3.690 . . 2 . . . . 31 GLN HG2 . 16748 1 360 . 1 1 43 43 GLN C C 13 172.768 . . 1 . . . . 31 GLN C . 16748 1 361 . 1 1 43 43 GLN CA C 13 52.600 . . 1 . . . . 31 GLN CA . 16748 1 362 . 1 1 43 43 GLN CB C 13 30.800 . . 1 . . . . 31 GLN CB . 16748 1 363 . 1 1 43 43 GLN CG C 13 51.080 . . 1 . . . . 31 GLN CG . 16748 1 364 . 1 1 43 43 GLN N N 15 121.325 . . 1 . . . . 31 GLN N . 16748 1 365 . 1 1 44 44 PRO HA H 1 4.492 . . 1 . . . . 32 PRO HA . 16748 1 366 . 1 1 44 44 PRO HB2 H 1 2.600 . . 2 . . . . 32 PRO HB1 . 16748 1 367 . 1 1 44 44 PRO HB3 H 1 1.667 . . 2 . . . . 32 PRO HB2 . 16748 1 368 . 1 1 44 44 PRO HD2 H 1 3.684 . . 2 . . . . 32 PRO HD1 . 16748 1 369 . 1 1 44 44 PRO HD3 H 1 3.401 . . 2 . . . . 32 PRO HD2 . 16748 1 370 . 1 1 44 44 PRO HG2 H 1 2.383 . . 2 . . . . 32 PRO HG1 . 16748 1 371 . 1 1 44 44 PRO HG3 H 1 2.112 . . 2 . . . . 32 PRO HG2 . 16748 1 372 . 1 1 44 44 PRO C C 13 178.931 . . 1 . . . . 32 PRO C . 16748 1 373 . 1 1 44 44 PRO CA C 13 62.806 . . 1 . . . . 32 PRO CA . 16748 1 374 . 1 1 44 44 PRO CB C 13 32.959 . . 1 . . . . 32 PRO CB . 16748 1 375 . 1 1 44 44 PRO CD C 13 51.136 . . 1 . . . . 32 PRO CD . 16748 1 376 . 1 1 44 44 PRO CG C 13 28.759 . . 1 . . . . 32 PRO CG . 16748 1 377 . 1 1 45 45 GLN H H 1 9.078 . . 1 . . . . 33 GLN HN . 16748 1 378 . 1 1 45 45 GLN HA H 1 3.487 . . 1 . . . . 33 GLN HA . 16748 1 379 . 1 1 45 45 GLN HB2 H 1 1.784 . . 2 . . . . 33 GLN HB1 . 16748 1 380 . 1 1 45 45 GLN HB3 H 1 1.350 . . 2 . . . . 33 GLN HB2 . 16748 1 381 . 1 1 45 45 GLN HE21 H 1 7.560 . . 2 . . . . 33 GLN HE21 . 16748 1 382 . 1 1 45 45 GLN HE22 H 1 6.750 . . 2 . . . . 33 GLN HE22 . 16748 1 383 . 1 1 45 45 GLN HG2 H 1 1.957 . . 2 . . . . 33 GLN HG1 . 16748 1 384 . 1 1 45 45 GLN HG3 H 1 1.958 . . 2 . . . . 33 GLN HG2 . 16748 1 385 . 1 1 45 45 GLN C C 13 177.797 . . 1 . . . . 33 GLN C . 16748 1 386 . 1 1 45 45 GLN CA C 13 60.567 . . 1 . . . . 33 GLN CA . 16748 1 387 . 1 1 45 45 GLN CB C 13 27.362 . . 1 . . . . 33 GLN CB . 16748 1 388 . 1 1 45 45 GLN CG C 13 33.477 . . 1 . . . . 33 GLN CG . 16748 1 389 . 1 1 45 45 GLN N N 15 129.651 . . 1 . . . . 33 GLN N . 16748 1 390 . 1 1 45 45 GLN NE2 N 15 112.240 . . 1 . . . . 33 GLN NE2 . 16748 1 391 . 1 1 46 46 ARG H H 1 8.771 . . 1 . . . . 34 ARG HN . 16748 1 392 . 1 1 46 46 ARG HA H 1 4.213 . . 1 . . . . 34 ARG HA . 16748 1 393 . 1 1 46 46 ARG HB2 H 1 1.879 . . 2 . . . . 34 ARG HB1 . 16748 1 394 . 1 1 46 46 ARG HB3 H 1 1.766 . . 2 . . . . 34 ARG HB2 . 16748 1 395 . 1 1 46 46 ARG HD2 H 1 3.163 . . 2 . . . . 34 ARG HD1 . 16748 1 396 . 1 1 46 46 ARG HD3 H 1 3.163 . . 2 . . . . 34 ARG HD2 . 16748 1 397 . 1 1 46 46 ARG HG2 H 1 1.665 . . 2 . . . . 34 ARG HG1 . 16748 1 398 . 1 1 46 46 ARG HG3 H 1 1.599 . . 2 . . . . 34 ARG HG2 . 16748 1 399 . 1 1 46 46 ARG C C 13 178.617 . . 1 . . . . 34 ARG C . 16748 1 400 . 1 1 46 46 ARG CA C 13 58.552 . . 1 . . . . 34 ARG CA . 16748 1 401 . 1 1 46 46 ARG CB C 13 29.079 . . 1 . . . . 34 ARG CB . 16748 1 402 . 1 1 46 46 ARG CD C 13 43.004 . . 1 . . . . 34 ARG CD . 16748 1 403 . 1 1 46 46 ARG CG C 13 27.035 . . 1 . . . . 34 ARG CG . 16748 1 404 . 1 1 46 46 ARG N N 15 115.974 . . 1 . . . . 34 ARG N . 16748 1 405 . 1 1 47 47 CYS H H 1 7.283 . . 1 . . . . 35 CYS HN . 16748 1 406 . 1 1 47 47 CYS HA H 1 4.403 . . 1 . . . . 35 CYS HA . 16748 1 407 . 1 1 47 47 CYS HB2 H 1 3.506 . . 2 . . . . 35 CYS HB1 . 16748 1 408 . 1 1 47 47 CYS HB3 H 1 3.507 . . 2 . . . . 35 CYS HB2 . 16748 1 409 . 1 1 47 47 CYS C C 13 176.096 . . 1 . . . . 35 CYS C . 16748 1 410 . 1 1 47 47 CYS CA C 13 56.762 . . 1 . . . . 35 CYS CA . 16748 1 411 . 1 1 47 47 CYS CB C 13 39.749 . . 1 . . . . 35 CYS CB . 16748 1 412 . 1 1 47 47 CYS N N 15 120.264 . . 1 . . . . 35 CYS N . 16748 1 413 . 1 1 48 48 ALA H H 1 7.333 . . 1 . . . . 36 ALA HN . 16748 1 414 . 1 1 48 48 ALA HA H 1 4.573 . . 1 . . . . 36 ALA HA . 16748 1 415 . 1 1 48 48 ALA HB1 H 1 1.421 . . 1 . . . . 36 ALA HB1 . 16748 1 416 . 1 1 48 48 ALA HB2 H 1 1.421 . . 1 . . . . 36 ALA HB1 . 16748 1 417 . 1 1 48 48 ALA HB3 H 1 1.421 . . 1 . . . . 36 ALA HB1 . 16748 1 418 . 1 1 48 48 ALA C C 13 183.090 . . 1 . . . . 36 ALA C . 16748 1 419 . 1 1 48 48 ALA CA C 13 54.822 . . 1 . . . . 36 ALA CA . 16748 1 420 . 1 1 48 48 ALA CB C 13 18.184 . . 1 . . . . 36 ALA CB . 16748 1 421 . 1 1 48 48 ALA N N 15 127.273 . . 1 . . . . 36 ALA N . 16748 1 422 . 1 1 49 49 ASP H H 1 8.808 . . 1 . . . . 37 ASP HN . 16748 1 423 . 1 1 49 49 ASP HA H 1 4.466 . . 1 . . . . 37 ASP HA . 16748 1 424 . 1 1 49 49 ASP HB2 H 1 2.723 . . 2 . . . . 37 ASP HB1 . 16748 1 425 . 1 1 49 49 ASP HB3 H 1 2.689 . . 2 . . . . 37 ASP HB2 . 16748 1 426 . 1 1 49 49 ASP C C 13 176.663 . . 1 . . . . 37 ASP C . 16748 1 427 . 1 1 49 49 ASP CA C 13 57.209 . . 1 . . . . 37 ASP CA . 16748 1 428 . 1 1 49 49 ASP CB C 13 40.047 . . 1 . . . . 37 ASP CB . 16748 1 429 . 1 1 49 49 ASP N N 15 122.185 . . 1 . . . . 37 ASP N . 16748 1 430 . 1 1 50 50 ALA H H 1 7.148 . . 1 . . . . 38 ALA HN . 16748 1 431 . 1 1 50 50 ALA HA H 1 4.463 . . 1 . . . . 38 ALA HA . 16748 1 432 . 1 1 50 50 ALA HB1 H 1 1.595 . . 1 . . . . 38 ALA HB1 . 16748 1 433 . 1 1 50 50 ALA HB2 H 1 1.595 . . 1 . . . . 38 ALA HB1 . 16748 1 434 . 1 1 50 50 ALA HB3 H 1 1.595 . . 1 . . . . 38 ALA HB1 . 16748 1 435 . 1 1 50 50 ALA C C 13 177.364 . . 1 . . . . 38 ALA C . 16748 1 436 . 1 1 50 50 ALA CA C 13 52.550 . . 1 . . . . 38 ALA CA . 16748 1 437 . 1 1 50 50 ALA CB C 13 18.707 . . 1 . . . . 38 ALA CB . 16748 1 438 . 1 1 50 50 ALA N N 15 121.399 . . 1 . . . . 38 ALA N . 16748 1 439 . 1 1 51 51 GLY H H 1 7.730 . . 1 . . . . 39 GLY HN . 16748 1 440 . 1 1 51 51 GLY HA2 H 1 4.390 . . 2 . . . . 39 GLY HA1 . 16748 1 441 . 1 1 51 51 GLY HA3 H 1 3.809 . . 2 . . . . 39 GLY HA2 . 16748 1 442 . 1 1 51 51 GLY C C 13 174.335 . . 1 . . . . 39 GLY C . 16748 1 443 . 1 1 51 51 GLY CA C 13 45.444 . . 1 . . . . 39 GLY CA . 16748 1 444 . 1 1 51 51 GLY N N 15 106.466 . . 1 . . . . 39 GLY N . 16748 1 445 . 1 1 52 52 MET H H 1 7.768 . . 1 . . . . 40 MET HN . 16748 1 446 . 1 1 52 52 MET HA H 1 4.740 . . 1 . . . . 40 MET HA . 16748 1 447 . 1 1 52 52 MET HB2 H 1 2.400 . . 2 . . . . 40 MET HB1 . 16748 1 448 . 1 1 52 52 MET HB3 H 1 1.756 . . 2 . . . . 40 MET HB2 . 16748 1 449 . 1 1 52 52 MET HG2 H 1 2.640 . . 2 . . . . 40 MET HG1 . 16748 1 450 . 1 1 52 52 MET HG3 H 1 2.516 . . 2 . . . . 40 MET HG2 . 16748 1 451 . 1 1 52 52 MET C C 13 176.722 . . 1 . . . . 40 MET C . 16748 1 452 . 1 1 52 52 MET CA C 13 55.888 . . 1 . . . . 40 MET CA . 16748 1 453 . 1 1 52 52 MET CB C 13 30.937 . . 1 . . . . 40 MET CB . 16748 1 454 . 1 1 52 52 MET CG C 13 33.750 . . 1 . . . . 40 MET CG . 16748 1 455 . 1 1 52 52 MET N N 15 118.740 . . 1 . . . . 40 MET N . 16748 1 456 . 1 1 53 53 ARG H H 1 8.971 . . 1 . . . . 41 ARG HN . 16748 1 457 . 1 1 53 53 ARG HA H 1 5.128 . . 1 . . . . 41 ARG HA . 16748 1 458 . 1 1 53 53 ARG HB2 H 1 2.020 . . 2 . . . . 41 ARG HB1 . 16748 1 459 . 1 1 53 53 ARG HB3 H 1 1.314 . . 2 . . . . 41 ARG HB2 . 16748 1 460 . 1 1 53 53 ARG HD2 H 1 3.304 . . 2 . . . . 41 ARG HD1 . 16748 1 461 . 1 1 53 53 ARG HD3 H 1 3.029 . . 2 . . . . 41 ARG HD2 . 16748 1 462 . 1 1 53 53 ARG HG2 H 1 1.726 . . 2 . . . . 41 ARG HG1 . 16748 1 463 . 1 1 53 53 ARG HG3 H 1 1.358 . . 2 . . . . 41 ARG HG2 . 16748 1 464 . 1 1 53 53 ARG C C 13 174.290 . . 1 . . . . 41 ARG C . 16748 1 465 . 1 1 53 53 ARG CA C 13 53.926 . . 1 . . . . 41 ARG CA . 16748 1 466 . 1 1 53 53 ARG CB C 13 34.720 . . 1 . . . . 41 ARG CB . 16748 1 467 . 1 1 53 53 ARG CD C 13 44.637 . . 1 . . . . 41 ARG CD . 16748 1 468 . 1 1 53 53 ARG CG C 13 26.037 . . 1 . . . . 41 ARG CG . 16748 1 469 . 1 1 53 53 ARG N N 15 124.435 . . 1 . . . . 41 ARG N . 16748 1 470 . 1 1 54 54 ILE H H 1 7.816 . . 1 . . . . 42 ILE HN . 16748 1 471 . 1 1 54 54 ILE HA H 1 4.321 . . 1 . . . . 42 ILE HA . 16748 1 472 . 1 1 54 54 ILE HB H 1 1.947 . . 1 . . . . 42 ILE HB . 16748 1 473 . 1 1 54 54 ILE HD11 H 1 0.722 . . 1 . . . . 42 ILE HD11 . 16748 1 474 . 1 1 54 54 ILE HD12 H 1 0.722 . . 1 . . . . 42 ILE HD11 . 16748 1 475 . 1 1 54 54 ILE HD13 H 1 0.722 . . 1 . . . . 42 ILE HD11 . 16748 1 476 . 1 1 54 54 ILE HG12 H 1 1.657 . . 1 . . . . 42 ILE HG11 . 16748 1 477 . 1 1 54 54 ILE HG13 H 1 1.657 . . 1 . . . . 42 ILE HG12 . 16748 1 478 . 1 1 54 54 ILE HG21 H 1 0.794 . . 1 . . . . 42 ILE HG21 . 16748 1 479 . 1 1 54 54 ILE HG22 H 1 0.794 . . 1 . . . . 42 ILE HG21 . 16748 1 480 . 1 1 54 54 ILE HG23 H 1 0.794 . . 1 . . . . 42 ILE HG21 . 16748 1 481 . 1 1 54 54 ILE C C 13 173.529 . . 1 . . . . 42 ILE C . 16748 1 482 . 1 1 54 54 ILE CA C 13 61.650 . . 1 . . . . 42 ILE CA . 16748 1 483 . 1 1 54 54 ILE CB C 13 39.476 . . 1 . . . . 42 ILE CB . 16748 1 484 . 1 1 54 54 ILE CD1 C 13 13.970 . . 1 . . . . 42 ILE CD1 . 16748 1 485 . 1 1 54 54 ILE CG1 C 13 28.240 . . 1 . . . . 42 ILE CG1 . 16748 1 486 . 1 1 54 54 ILE CG2 C 13 18.688 . . 1 . . . . 42 ILE CG2 . 16748 1 487 . 1 1 54 54 ILE N N 15 121.029 . . 1 . . . . 42 ILE N . 16748 1 488 . 1 1 55 55 LYS H H 1 8.925 . . 1 . . . . 43 LYS HN . 16748 1 489 . 1 1 55 55 LYS HA H 1 5.827 . . 1 . . . . 43 LYS HA . 16748 1 490 . 1 1 55 55 LYS HB2 H 1 1.585 . . 2 . . . . 43 LYS HB1 . 16748 1 491 . 1 1 55 55 LYS HB3 H 1 1.944 . . 2 . . . . 43 LYS HB2 . 16748 1 492 . 1 1 55 55 LYS HD2 H 1 1.430 . . 2 . . . . 43 LYS HD1 . 16748 1 493 . 1 1 55 55 LYS HD3 H 1 1.240 . . 2 . . . . 43 LYS HD2 . 16748 1 494 . 1 1 55 55 LYS HG2 H 1 1.299 . . 2 . . . . 43 LYS HG1 . 16748 1 495 . 1 1 55 55 LYS HG3 H 1 1.299 . . 2 . . . . 43 LYS HG2 . 16748 1 496 . 1 1 55 55 LYS C C 13 175.230 . . 1 . . . . 43 LYS C . 16748 1 497 . 1 1 55 55 LYS CA C 13 53.941 . . 1 . . . . 43 LYS CA . 16748 1 498 . 1 1 55 55 LYS CB C 13 36.744 . . 1 . . . . 43 LYS CB . 16748 1 499 . 1 1 55 55 LYS CD C 13 29.660 . . 1 . . . . 43 LYS CD . 16748 1 500 . 1 1 55 55 LYS CG C 13 25.650 . . 1 . . . . 43 LYS CG . 16748 1 501 . 1 1 55 55 LYS N N 15 130.661 . . 1 . . . . 43 LYS N . 16748 1 502 . 1 1 56 56 ALA H H 1 9.523 . . 1 . . . . 44 ALA HN . 16748 1 503 . 1 1 56 56 ALA HA H 1 5.680 . . 1 . . . . 44 ALA HA . 16748 1 504 . 1 1 56 56 ALA HB1 H 1 1.310 . . 1 . . . . 44 ALA HB1 . 16748 1 505 . 1 1 56 56 ALA HB2 H 1 1.310 . . 1 . . . . 44 ALA HB1 . 16748 1 506 . 1 1 56 56 ALA HB3 H 1 1.310 . . 1 . . . . 44 ALA HB1 . 16748 1 507 . 1 1 56 56 ALA C C 13 176.290 . . 1 . . . . 44 ALA C . 16748 1 508 . 1 1 56 56 ALA CA C 13 51.464 . . 1 . . . . 44 ALA CA . 16748 1 509 . 1 1 56 56 ALA CB C 13 24.303 . . 1 . . . . 44 ALA CB . 16748 1 510 . 1 1 56 56 ALA N N 15 128.397 . . 1 . . . . 44 ALA N . 16748 1 511 . 1 1 57 57 TRP H H 1 8.951 . . 1 . . . . 45 TRP HN . 16748 1 512 . 1 1 57 57 TRP HA H 1 5.090 . . 1 . . . . 45 TRP HA . 16748 1 513 . 1 1 57 57 TRP HB2 H 1 4.013 . . 2 . . . . 45 TRP HB1 . 16748 1 514 . 1 1 57 57 TRP HB3 H 1 3.500 . . 2 . . . . 45 TRP HB2 . 16748 1 515 . 1 1 57 57 TRP HD1 H 1 7.320 . . 1 . . . . 45 TRP HD1 . 16748 1 516 . 1 1 57 57 TRP HE1 H 1 10.182 . . 4 . . . . 45 TRP HE1 . 16748 1 517 . 1 1 57 57 TRP HE3 H 1 7.100 . . 4 . . . . 45 TRP HE3 . 16748 1 518 . 1 1 57 57 TRP HH2 H 1 6.996 . . 1 . . . . 45 TRP HH2 . 16748 1 519 . 1 1 57 57 TRP HZ2 H 1 7.320 . . 4 . . . . 45 TRP HZ2 . 16748 1 520 . 1 1 57 57 TRP HZ3 H 1 6.600 . . 4 . . . . 45 TRP HZ3 . 16748 1 521 . 1 1 57 57 TRP C C 13 174.335 . . 1 . . . . 45 TRP C . 16748 1 522 . 1 1 57 57 TRP CA C 13 58.502 . . 1 . . . . 45 TRP CA . 16748 1 523 . 1 1 57 57 TRP CB C 13 32.735 . . 1 . . . . 45 TRP CB . 16748 1 524 . 1 1 57 57 TRP CD1 C 13 128.460 . . 4 . . . . 45 TRP CD1 . 16748 1 525 . 1 1 57 57 TRP CE3 C 13 121.900 . . 4 . . . . 45 TRP CE3 . 16748 1 526 . 1 1 57 57 TRP CH2 C 13 124.100 . . 1 . . . . 45 TRP CH2 . 16748 1 527 . 1 1 57 57 TRP CZ2 C 13 114.800 . . 4 . . . . 45 TRP CZ2 . 16748 1 528 . 1 1 57 57 TRP CZ3 C 13 121.400 . . 4 . . . . 45 TRP CZ3 . 16748 1 529 . 1 1 57 57 TRP N N 15 118.953 . . 1 . . . . 45 TRP N . 16748 1 530 . 1 1 57 57 TRP NE1 N 15 131.169 . . 1 . . . . 45 TRP NE1 . 16748 1 531 . 1 1 58 58 GLY H H 1 8.668 . . 1 . . . . 46 GLY HN . 16748 1 532 . 1 1 58 58 GLY HA2 H 1 4.640 . . 2 . . . . 46 GLY HA1 . 16748 1 533 . 1 1 58 58 GLY HA3 H 1 3.459 . . 2 . . . . 46 GLY HA2 . 16748 1 534 . 1 1 58 58 GLY C C 13 174.231 . . 1 . . . . 46 GLY C . 16748 1 535 . 1 1 58 58 GLY CA C 13 43.041 . . 1 . . . . 46 GLY CA . 16748 1 536 . 1 1 58 58 GLY N N 15 111.317 . . 1 . . . . 46 GLY N . 16748 1 537 . 1 1 59 59 GLU H H 1 8.916 . . 1 . . . . 47 GLU HN . 16748 1 538 . 1 1 59 59 GLU HA H 1 4.410 . . 1 . . . . 47 GLU HA . 16748 1 539 . 1 1 59 59 GLU HB2 H 1 2.263 . . 2 . . . . 47 GLU HB1 . 16748 1 540 . 1 1 59 59 GLU HB3 H 1 2.267 . . 2 . . . . 47 GLU HB2 . 16748 1 541 . 1 1 59 59 GLU HG2 H 1 2.426 . . 2 . . . . 47 GLU HG1 . 16748 1 542 . 1 1 59 59 GLU HG3 H 1 2.422 . . 2 . . . . 47 GLU HG2 . 16748 1 543 . 1 1 59 59 GLU C C 13 176.394 . . 1 . . . . 47 GLU C . 16748 1 544 . 1 1 59 59 GLU CA C 13 57.433 . . 1 . . . . 47 GLU CA . 16748 1 545 . 1 1 59 59 GLU CB C 13 32.287 . . 1 . . . . 47 GLU CB . 16748 1 546 . 1 1 59 59 GLU CG C 13 38.377 . . 1 . . . . 47 GLU CG . 16748 1 547 . 1 1 59 59 GLU N N 15 114.833 . . 1 . . . . 47 GLU N . 16748 1 548 . 1 1 60 60 ALA H H 1 8.492 . . 1 . . . . 48 ALA HN . 16748 1 549 . 1 1 60 60 ALA HA H 1 4.476 . . 1 . . . . 48 ALA HA . 16748 1 550 . 1 1 60 60 ALA HB1 H 1 1.428 . . 1 . . . . 48 ALA HB1 . 16748 1 551 . 1 1 60 60 ALA HB2 H 1 1.428 . . 1 . . . . 48 ALA HB1 . 16748 1 552 . 1 1 60 60 ALA HB3 H 1 1.428 . . 1 . . . . 48 ALA HB1 . 16748 1 553 . 1 1 60 60 ALA C C 13 177.707 . . 1 . . . . 48 ALA C . 16748 1 554 . 1 1 60 60 ALA CA C 13 51.016 . . 1 . . . . 48 ALA CA . 16748 1 555 . 1 1 60 60 ALA CB C 13 21.468 . . 1 . . . . 48 ALA CB . 16748 1 556 . 1 1 60 60 ALA N N 15 121.467 . . 1 . . . . 48 ALA N . 16748 1 557 . 1 1 61 61 ASN H H 1 8.609 . . 1 . . . . 49 ASN HN . 16748 1 558 . 1 1 61 61 ASN HA H 1 4.427 . . 1 . . . . 49 ASN HA . 16748 1 559 . 1 1 61 61 ASN HB2 H 1 2.732 . . 2 . . . . 49 ASN HB1 . 16748 1 560 . 1 1 61 61 ASN HB3 H 1 2.500 . . 2 . . . . 49 ASN HB2 . 16748 1 561 . 1 1 61 61 ASN C C 13 176.976 . . 1 . . . . 49 ASN C . 16748 1 562 . 1 1 61 61 ASN CA C 13 55.195 . . 1 . . . . 49 ASN CA . 16748 1 563 . 1 1 61 61 ASN CB C 13 37.883 . . 1 . . . . 49 ASN CB . 16748 1 564 . 1 1 61 61 ASN N N 15 119.254 . . 1 . . . . 49 ASN N . 16748 1 565 . 1 1 62 62 HIS H H 1 8.743 . . 1 . . . . 50 HIS HN . 16748 1 566 . 1 1 62 62 HIS HA H 1 4.556 . . 1 . . . . 50 HIS HA . 16748 1 567 . 1 1 62 62 HIS HB2 H 1 3.572 . . 2 . . . . 50 HIS HB1 . 16748 1 568 . 1 1 62 62 HIS HB3 H 1 3.450 . . 2 . . . . 50 HIS HB2 . 16748 1 569 . 1 1 62 62 HIS HD2 H 1 7.150 . . 1 . . . . 50 HIS HD2 . 16748 1 570 . 1 1 62 62 HIS C C 13 174.126 . . 1 . . . . 50 HIS C . 16748 1 571 . 1 1 62 62 HIS CA C 13 55.642 . . 1 . . . . 50 HIS CA . 16748 1 572 . 1 1 62 62 HIS CB C 13 27.512 . . 1 . . . . 50 HIS CB . 16748 1 573 . 1 1 62 62 HIS CD2 C 13 120.260 . . 1 . . . . 50 HIS CD2 . 16748 1 574 . 1 1 62 62 HIS N N 15 117.021 . . 1 . . . . 50 HIS N . 16748 1 575 . 1 1 63 63 GLY H H 1 8.160 . . 1 . . . . 51 GLY HN . 16748 1 576 . 1 1 63 63 GLY HA2 H 1 3.956 . . 2 . . . . 51 GLY HA1 . 16748 1 577 . 1 1 63 63 GLY HA3 H 1 3.898 . . 2 . . . . 51 GLY HA2 . 16748 1 578 . 1 1 63 63 GLY C C 13 175.260 . . 1 . . . . 51 GLY C . 16748 1 579 . 1 1 63 63 GLY CA C 13 46.464 . . 1 . . . . 51 GLY CA . 16748 1 580 . 1 1 63 63 GLY N N 15 106.537 . . 1 . . . . 51 GLY N . 16748 1 581 . 1 1 64 64 GLN HA H 1 4.300 . . 1 . . . . 52 GLN HA . 16748 1 582 . 1 1 64 64 GLN HB2 H 1 2.521 . . 2 . . . . 52 GLN HB1 . 16748 1 583 . 1 1 64 64 GLN HB3 H 1 1.941 . . 2 . . . . 52 GLN HB2 . 16748 1 584 . 1 1 64 64 GLN HG2 H 1 2.531 . . 2 . . . . 52 GLN HG1 . 16748 1 585 . 1 1 64 64 GLN HG3 H 1 2.526 . . 2 . . . . 52 GLN HG2 . 16748 1 586 . 1 1 64 64 GLN C C 13 174.520 . . 1 . . . . 52 GLN C . 16748 1 587 . 1 1 64 64 GLN CA C 13 55.940 . . 1 . . . . 52 GLN CA . 16748 1 588 . 1 1 64 64 GLN CB C 13 29.377 . . 1 . . . . 52 GLN CB . 16748 1 589 . 1 1 64 64 GLN CG C 13 35.020 . . 1 . . . . 52 GLN CG . 16748 1 590 . 1 1 65 65 LEU H H 1 8.549 . . 1 . . . . 53 LEU HN . 16748 1 591 . 1 1 65 65 LEU HA H 1 4.302 . . 1 . . . . 53 LEU HA . 16748 1 592 . 1 1 65 65 LEU HB2 H 1 1.797 . . 2 . . . . 53 LEU HB1 . 16748 1 593 . 1 1 65 65 LEU HB3 H 1 1.067 . . 2 . . . . 53 LEU HB2 . 16748 1 594 . 1 1 65 65 LEU HD11 H 1 0.414 . . 2 . . . . 53 LEU HD11 . 16748 1 595 . 1 1 65 65 LEU HD12 H 1 0.414 . . 2 . . . . 53 LEU HD11 . 16748 1 596 . 1 1 65 65 LEU HD13 H 1 0.414 . . 2 . . . . 53 LEU HD11 . 16748 1 597 . 1 1 65 65 LEU HD21 H 1 0.650 . . 2 . . . . 53 LEU HD21 . 16748 1 598 . 1 1 65 65 LEU HD22 H 1 0.650 . . 2 . . . . 53 LEU HD21 . 16748 1 599 . 1 1 65 65 LEU HD23 H 1 0.650 . . 2 . . . . 53 LEU HD21 . 16748 1 600 . 1 1 65 65 LEU HG H 1 0.800 . . 1 . . . . 53 LEU HG . 16748 1 601 . 1 1 65 65 LEU C C 13 176.096 . . 1 . . . . 53 LEU C . 16748 1 602 . 1 1 65 65 LEU CA C 13 55.940 . . 1 . . . . 53 LEU CA . 16748 1 603 . 1 1 65 65 LEU CB C 13 43.600 . . 1 . . . . 53 LEU CB . 16748 1 604 . 1 1 65 65 LEU CD1 C 13 22.400 . . 1 . . . . 53 LEU CD1 . 16748 1 605 . 1 1 65 65 LEU CD2 C 13 25.400 . . 1 . . . . 53 LEU CD2 . 16748 1 606 . 1 1 65 65 LEU CG C 13 26.770 . . 1 . . . . 53 LEU CG . 16748 1 607 . 1 1 65 65 LEU N N 15 118.659 . . 1 . . . . 53 LEU N . 16748 1 608 . 1 1 66 66 LEU H H 1 8.700 . . 1 . . . . 54 LEU HN . 16748 1 609 . 1 1 66 66 LEU HA H 1 4.952 . . 1 . . . . 54 LEU HA . 16748 1 610 . 1 1 66 66 LEU HB2 H 1 1.660 . . 2 . . . . 54 LEU HB1 . 16748 1 611 . 1 1 66 66 LEU HB3 H 1 1.511 . . 2 . . . . 54 LEU HB2 . 16748 1 612 . 1 1 66 66 LEU HD11 H 1 0.749 . . 2 . . . . 54 LEU HD11 . 16748 1 613 . 1 1 66 66 LEU HD12 H 1 0.749 . . 2 . . . . 54 LEU HD11 . 16748 1 614 . 1 1 66 66 LEU HD13 H 1 0.749 . . 2 . . . . 54 LEU HD11 . 16748 1 615 . 1 1 66 66 LEU HD21 H 1 0.749 . . 2 . . . . 54 LEU HD21 . 16748 1 616 . 1 1 66 66 LEU HD22 H 1 0.749 . . 2 . . . . 54 LEU HD21 . 16748 1 617 . 1 1 66 66 LEU HD23 H 1 0.749 . . 2 . . . . 54 LEU HD21 . 16748 1 618 . 1 1 66 66 LEU HG H 1 1.371 . . 1 . . . . 54 LEU HG . 16748 1 619 . 1 1 66 66 LEU C C 13 174.738 . . 1 . . . . 54 LEU C . 16748 1 620 . 1 1 66 66 LEU CA C 13 53.662 . . 1 . . . . 54 LEU CA . 16748 1 621 . 1 1 66 66 LEU CB C 13 48.190 . . 1 . . . . 54 LEU CB . 16748 1 622 . 1 1 66 66 LEU CD1 C 13 25.856 . . 1 . . . . 54 LEU CD1 . 16748 1 623 . 1 1 66 66 LEU CD2 C 13 25.856 . . 1 . . . . 54 LEU CD2 . 16748 1 624 . 1 1 66 66 LEU CG C 13 27.943 . . 1 . . . . 54 LEU CG . 16748 1 625 . 1 1 66 66 LEU N N 15 126.110 . . 1 . . . . 54 LEU N . 16748 1 626 . 1 1 67 67 ILE H H 1 9.317 . . 1 . . . . 55 ILE HN . 16748 1 627 . 1 1 67 67 ILE HA H 1 5.402 . . 1 . . . . 55 ILE HA . 16748 1 628 . 1 1 67 67 ILE HB H 1 1.470 . . 1 . . . . 55 ILE HB . 16748 1 629 . 1 1 67 67 ILE HD11 H 1 0.620 . . 1 . . . . 55 ILE HD11 . 16748 1 630 . 1 1 67 67 ILE HD12 H 1 0.620 . . 1 . . . . 55 ILE HD11 . 16748 1 631 . 1 1 67 67 ILE HD13 H 1 0.620 . . 1 . . . . 55 ILE HD11 . 16748 1 632 . 1 1 67 67 ILE HG12 H 1 1.622 . . 1 . . . . 55 ILE HG11 . 16748 1 633 . 1 1 67 67 ILE HG13 H 1 1.047 . . 1 . . . . 55 ILE HG12 . 16748 1 634 . 1 1 67 67 ILE HG21 H 1 1.206 . . 1 . . . . 55 ILE HG21 . 16748 1 635 . 1 1 67 67 ILE HG22 H 1 1.206 . . 1 . . . . 55 ILE HG21 . 16748 1 636 . 1 1 67 67 ILE HG23 H 1 1.206 . . 1 . . . . 55 ILE HG21 . 16748 1 637 . 1 1 67 67 ILE C C 13 172.977 . . 1 . . . . 55 ILE C . 16748 1 638 . 1 1 67 67 ILE CA C 13 58.313 . . 1 . . . . 55 ILE CA . 16748 1 639 . 1 1 67 67 ILE CB C 13 41.723 . . 1 . . . . 55 ILE CB . 16748 1 640 . 1 1 67 67 ILE CD1 C 13 14.780 . . 1 . . . . 55 ILE CD1 . 16748 1 641 . 1 1 67 67 ILE CG1 C 13 30.660 . . 1 . . . . 55 ILE CG1 . 16748 1 642 . 1 1 67 67 ILE CG2 C 13 16.470 . . 1 . . . . 55 ILE CG2 . 16748 1 643 . 1 1 67 67 ILE N N 15 126.665 . . 1 . . . . 55 ILE N . 16748 1 644 . 1 1 68 68 LYS H H 1 9.278 . . 1 . . . . 56 LYS HN . 16748 1 645 . 1 1 68 68 LYS HA H 1 5.287 . . 1 . . . . 56 LYS HA . 16748 1 646 . 1 1 68 68 LYS HB2 H 1 1.715 . . 2 . . . . 56 LYS HB1 . 16748 1 647 . 1 1 68 68 LYS HB3 H 1 1.500 . . 2 . . . . 56 LYS HB2 . 16748 1 648 . 1 1 68 68 LYS HD2 H 1 1.437 . . 2 . . . . 56 LYS HD1 . 16748 1 649 . 1 1 68 68 LYS HD3 H 1 1.244 . . 2 . . . . 56 LYS HD2 . 16748 1 650 . 1 1 68 68 LYS HE2 H 1 3.010 . . 2 . . . . 56 LYS HE1 . 16748 1 651 . 1 1 68 68 LYS HE3 H 1 2.756 . . 2 . . . . 56 LYS HE2 . 16748 1 652 . 1 1 68 68 LYS HG2 H 1 1.470 . . 2 . . . . 56 LYS HG1 . 16748 1 653 . 1 1 68 68 LYS HG3 H 1 1.307 . . 2 . . . . 56 LYS HG2 . 16748 1 654 . 1 1 68 68 LYS C C 13 171.739 . . 1 . . . . 56 LYS C . 16748 1 655 . 1 1 68 68 LYS CA C 13 52.882 . . 1 . . . . 56 LYS CA . 16748 1 656 . 1 1 68 68 LYS CB C 13 34.899 . . 1 . . . . 56 LYS CB . 16748 1 657 . 1 1 68 68 LYS CD C 13 29.590 . . 1 . . . . 56 LYS CD . 16748 1 658 . 1 1 68 68 LYS CE C 13 42.670 . . 1 . . . . 56 LYS CE . 16748 1 659 . 1 1 68 68 LYS CG C 13 23.030 . . 1 . . . . 56 LYS CG . 16748 1 660 . 1 1 68 68 LYS N N 15 127.450 . . 1 . . . . 56 LYS N . 16748 1 661 . 1 1 69 69 PRO HA H 1 3.866 . . 1 . . . . 57 PRO HA . 16748 1 662 . 1 1 69 69 PRO HB2 H 1 2.145 . . 2 . . . . 57 PRO HB1 . 16748 1 663 . 1 1 69 69 PRO HB3 H 1 1.641 . . 2 . . . . 57 PRO HB2 . 16748 1 664 . 1 1 69 69 PRO HD2 H 1 3.397 . . 2 . . . . 57 PRO HD1 . 16748 1 665 . 1 1 69 69 PRO HD3 H 1 3.391 . . 2 . . . . 57 PRO HD2 . 16748 1 666 . 1 1 69 69 PRO HG2 H 1 2.099 . . 2 . . . . 57 PRO HG1 . 16748 1 667 . 1 1 69 69 PRO HG3 H 1 1.994 . . 2 . . . . 57 PRO HG2 . 16748 1 668 . 1 1 69 69 PRO C C 13 176.558 . . 1 . . . . 57 PRO C . 16748 1 669 . 1 1 69 69 PRO CA C 13 63.179 . . 1 . . . . 57 PRO CA . 16748 1 670 . 1 1 69 69 PRO CB C 13 31.765 . . 1 . . . . 57 PRO CB . 16748 1 671 . 1 1 69 69 PRO CD C 13 50.898 . . 1 . . . . 57 PRO CD . 16748 1 672 . 1 1 69 69 PRO CG C 13 28.200 . . 1 . . . . 57 PRO CG . 16748 1 673 . 1 1 70 70 GLN H H 1 8.331 . . 1 . . . . 58 GLN HN . 16748 1 674 . 1 1 70 70 GLN HA H 1 3.841 . . 1 . . . . 58 GLN HA . 16748 1 675 . 1 1 70 70 GLN HB2 H 1 1.906 . . 2 . . . . 58 GLN HB1 . 16748 1 676 . 1 1 70 70 GLN HB3 H 1 1.420 . . 2 . . . . 58 GLN HB2 . 16748 1 677 . 1 1 70 70 GLN HG2 H 1 2.206 . . 2 . . . . 58 GLN HG1 . 16748 1 678 . 1 1 70 70 GLN HG3 H 1 2.033 . . 2 . . . . 58 GLN HG2 . 16748 1 679 . 1 1 70 70 GLN C C 13 177.230 . . 1 . . . . 58 GLN C . 16748 1 680 . 1 1 70 70 GLN CA C 13 57.881 . . 1 . . . . 58 GLN CA . 16748 1 681 . 1 1 70 70 GLN CB C 13 29.452 . . 1 . . . . 58 GLN CB . 16748 1 682 . 1 1 70 70 GLN CG C 13 33.960 . . 1 . . . . 58 GLN CG . 16748 1 683 . 1 1 70 70 GLN N N 15 125.401 . . 1 . . . . 58 GLN N . 16748 1 684 . 1 1 71 71 GLY H H 1 9.153 . . 1 . . . . 59 GLY HN . 16748 1 685 . 1 1 71 71 GLY HA2 H 1 4.060 . . 2 . . . . 59 GLY HA1 . 16748 1 686 . 1 1 71 71 GLY HA3 H 1 3.759 . . 2 . . . . 59 GLY HA2 . 16748 1 687 . 1 1 71 71 GLY C C 13 174.648 . . 1 . . . . 59 GLY C . 16748 1 688 . 1 1 71 71 GLY CA C 13 45.494 . . 1 . . . . 59 GLY CA . 16748 1 689 . 1 1 71 71 GLY N N 15 117.642 . . 1 . . . . 59 GLY N . 16748 1 690 . 1 1 72 72 GLY H H 1 8.292 . . 1 . . . . 60 GLY HN . 16748 1 691 . 1 1 72 72 GLY HA2 H 1 4.339 . . 2 . . . . 60 GLY HA1 . 16748 1 692 . 1 1 72 72 GLY HA3 H 1 3.373 . . 2 . . . . 60 GLY HA2 . 16748 1 693 . 1 1 72 72 GLY C C 13 172.724 . . 1 . . . . 60 GLY C . 16748 1 694 . 1 1 72 72 GLY CA C 13 44.300 . . 1 . . . . 60 GLY CA . 16748 1 695 . 1 1 72 72 GLY N N 15 108.804 . . 1 . . . . 60 GLY N . 16748 1 696 . 1 1 73 73 ASN H H 1 8.433 . . 1 . . . . 61 ASN HN . 16748 1 697 . 1 1 73 73 ASN HA H 1 4.798 . . 1 . . . . 61 ASN HA . 16748 1 698 . 1 1 73 73 ASN HB2 H 1 2.784 . . 2 . . . . 61 ASN HB1 . 16748 1 699 . 1 1 73 73 ASN HB3 H 1 2.781 . . 2 . . . . 61 ASN HB2 . 16748 1 700 . 1 1 73 73 ASN HD21 H 1 6.930 . . 2 . . . . 61 ASN HD21 . 16748 1 701 . 1 1 73 73 ASN HD22 H 1 7.680 . . 2 . . . . 61 ASN HD22 . 16748 1 702 . 1 1 73 73 ASN C C 13 176.618 . . 1 . . . . 61 ASN C . 16748 1 703 . 1 1 73 73 ASN CA C 13 52.732 . . 1 . . . . 61 ASN CA . 16748 1 704 . 1 1 73 73 ASN CB C 13 40.197 . . 1 . . . . 61 ASN CB . 16748 1 705 . 1 1 73 73 ASN N N 15 118.824 . . 1 . . . . 61 ASN N . 16748 1 706 . 1 1 73 73 ASN ND2 N 15 112.580 . . 1 . . . . 61 ASN ND2 . 16748 1 707 . 1 1 74 74 LYS H H 1 8.770 . . 1 . . . . 62 LYS HN . 16748 1 708 . 1 1 74 74 LYS HA H 1 3.773 . . 1 . . . . 62 LYS HA . 16748 1 709 . 1 1 74 74 LYS HB2 H 1 1.754 . . 2 . . . . 62 LYS HB1 . 16748 1 710 . 1 1 74 74 LYS HB3 H 1 1.751 . . 2 . . . . 62 LYS HB2 . 16748 1 711 . 1 1 74 74 LYS HD2 H 1 1.436 . . 2 . . . . 62 LYS HD1 . 16748 1 712 . 1 1 74 74 LYS HD3 H 1 1.441 . . 2 . . . . 62 LYS HD2 . 16748 1 713 . 1 1 74 74 LYS HE2 H 1 3.027 . . 2 . . . . 62 LYS HE1 . 16748 1 714 . 1 1 74 74 LYS HE3 H 1 3.029 . . 2 . . . . 62 LYS HE2 . 16748 1 715 . 1 1 74 74 LYS HG2 H 1 1.443 . . 2 . . . . 62 LYS HG1 . 16748 1 716 . 1 1 74 74 LYS HG3 H 1 1.443 . . 2 . . . . 62 LYS HG2 . 16748 1 717 . 1 1 74 74 LYS C C 13 178.364 . . 1 . . . . 62 LYS C . 16748 1 718 . 1 1 74 74 LYS CA C 13 59.522 . . 1 . . . . 62 LYS CA . 16748 1 719 . 1 1 74 74 LYS CB C 13 31.989 . . 1 . . . . 62 LYS CB . 16748 1 720 . 1 1 74 74 LYS CD C 13 29.582 . . 1 . . . . 62 LYS CD . 16748 1 721 . 1 1 74 74 LYS CE C 13 41.950 . . 1 . . . . 62 LYS CE . 16748 1 722 . 1 1 74 74 LYS CG C 13 24.307 . . 1 . . . . 62 LYS CG . 16748 1 723 . 1 1 74 74 LYS N N 15 123.628 . . 1 . . . . 62 LYS N . 16748 1 724 . 1 1 75 75 SER H H 1 8.552 . . 1 . . . . 63 SER HN . 16748 1 725 . 1 1 75 75 SER HA H 1 4.172 . . 1 . . . . 63 SER HA . 16748 1 726 . 1 1 75 75 SER HB2 H 1 3.909 . . 2 . . . . 63 SER HB1 . 16748 1 727 . 1 1 75 75 SER HB3 H 1 3.907 . . 2 . . . . 63 SER HB2 . 16748 1 728 . 1 1 75 75 SER C C 13 174.514 . . 1 . . . . 63 SER C . 16748 1 729 . 1 1 75 75 SER CA C 13 59.941 . . 1 . . . . 63 SER CA . 16748 1 730 . 1 1 75 75 SER CB C 13 62.344 . . 1 . . . . 63 SER CB . 16748 1 731 . 1 1 75 75 SER N N 15 116.845 . . 1 . . . . 63 SER N . 16748 1 732 . 1 1 76 76 ALA H H 1 7.605 . . 1 . . . . 64 ALA HN . 16748 1 733 . 1 1 76 76 ALA HA H 1 4.481 . . 1 . . . . 64 ALA HA . 16748 1 734 . 1 1 76 76 ALA HB1 H 1 1.462 . . 1 . . . . 64 ALA HB1 . 16748 1 735 . 1 1 76 76 ALA HB2 H 1 1.462 . . 1 . . . . 64 ALA HB1 . 16748 1 736 . 1 1 76 76 ALA HB3 H 1 1.462 . . 1 . . . . 64 ALA HB1 . 16748 1 737 . 1 1 76 76 ALA C C 13 176.275 . . 1 . . . . 64 ALA C . 16748 1 738 . 1 1 76 76 ALA CA C 13 51.538 . . 1 . . . . 64 ALA CA . 16748 1 739 . 1 1 76 76 ALA CB C 13 19.527 . . 1 . . . . 64 ALA CB . 16748 1 740 . 1 1 76 76 ALA N N 15 124.959 . . 1 . . . . 64 ALA N . 16748 1 741 . 1 1 77 77 GLY H H 1 7.457 . . 1 . . . . 65 GLY HN . 16748 1 742 . 1 1 77 77 GLY HA2 H 1 4.600 . . 2 . . . . 65 GLY HA1 . 16748 1 743 . 1 1 77 77 GLY HA3 H 1 3.575 . . 2 . . . . 65 GLY HA2 . 16748 1 744 . 1 1 77 77 GLY C C 13 172.306 . . 1 . . . . 65 GLY C . 16748 1 745 . 1 1 77 77 GLY CA C 13 44.077 . . 1 . . . . 65 GLY CA . 16748 1 746 . 1 1 77 77 GLY N N 15 104.934 . . 1 . . . . 65 GLY N . 16748 1 747 . 1 1 78 78 PHE H H 1 8.845 . . 1 . . . . 66 PHE HN . 16748 1 748 . 1 1 78 78 PHE HA H 1 4.975 . . 1 . . . . 66 PHE HA . 16748 1 749 . 1 1 78 78 PHE HB2 H 1 3.235 . . 2 . . . . 66 PHE HB1 . 16748 1 750 . 1 1 78 78 PHE HB3 H 1 2.556 . . 2 . . . . 66 PHE HB2 . 16748 1 751 . 1 1 78 78 PHE HD1 H 1 7.157 . . 3 . . . . 66 PHE HD1 . 16748 1 752 . 1 1 78 78 PHE HD2 H 1 7.157 . . 3 . . . . 66 PHE HD2 . 16748 1 753 . 1 1 78 78 PHE HE1 H 1 7.325 . . 3 . . . . 66 PHE HE1 . 16748 1 754 . 1 1 78 78 PHE HE2 H 1 7.325 . . 3 . . . . 66 PHE HE2 . 16748 1 755 . 1 1 78 78 PHE C C 13 175.275 . . 1 . . . . 66 PHE C . 16748 1 756 . 1 1 78 78 PHE CA C 13 56.389 . . 1 . . . . 66 PHE CA . 16748 1 757 . 1 1 78 78 PHE CB C 13 42.360 . . 1 . . . . 66 PHE CB . 16748 1 758 . 1 1 78 78 PHE CD1 C 13 132.290 . . 3 . . . . 66 PHE CD1 . 16748 1 759 . 1 1 78 78 PHE CD2 C 13 132.290 . . 3 . . . . 66 PHE CD2 . 16748 1 760 . 1 1 78 78 PHE CE1 C 13 131.200 . . 3 . . . . 66 PHE CE1 . 16748 1 761 . 1 1 78 78 PHE CE2 C 13 131.200 . . 3 . . . . 66 PHE CE2 . 16748 1 762 . 1 1 78 78 PHE N N 15 116.444 . . 1 . . . . 66 PHE N . 16748 1 763 . 1 1 79 79 THR H H 1 9.014 . . 1 . . . . 67 THR HN . 16748 1 764 . 1 1 79 79 THR HA H 1 4.291 . . 1 . . . . 67 THR HA . 16748 1 765 . 1 1 79 79 THR HB H 1 4.122 . . 1 . . . . 67 THR HB . 16748 1 766 . 1 1 79 79 THR HG21 H 1 1.398 . . 1 . . . . 67 THR HG21 . 16748 1 767 . 1 1 79 79 THR HG22 H 1 1.398 . . 1 . . . . 67 THR HG21 . 16748 1 768 . 1 1 79 79 THR HG23 H 1 1.398 . . 1 . . . . 67 THR HG21 . 16748 1 769 . 1 1 79 79 THR C C 13 174.680 . . 1 . . . . 67 THR C . 16748 1 770 . 1 1 79 79 THR CA C 13 64.064 . . 1 . . . . 67 THR CA . 16748 1 771 . 1 1 79 79 THR CB C 13 68.924 . . 1 . . . . 67 THR CB . 16748 1 772 . 1 1 79 79 THR CG2 C 13 22.530 . . 1 . . . . 67 THR CG2 . 16748 1 773 . 1 1 79 79 THR N N 15 123.713 . . 1 . . . . 67 THR N . 16748 1 774 . 1 1 80 80 LEU H H 1 8.162 . . 1 . . . . 68 LEU HN . 16748 1 775 . 1 1 80 80 LEU HA H 1 4.229 . . 1 . . . . 68 LEU HA . 16748 1 776 . 1 1 80 80 LEU HB2 H 1 1.748 . . 2 . . . . 68 LEU HB1 . 16748 1 777 . 1 1 80 80 LEU HB3 H 1 1.526 . . 2 . . . . 68 LEU HB2 . 16748 1 778 . 1 1 80 80 LEU HD11 H 1 0.795 . . 2 . . . . 68 LEU HD11 . 16748 1 779 . 1 1 80 80 LEU HD12 H 1 0.795 . . 2 . . . . 68 LEU HD11 . 16748 1 780 . 1 1 80 80 LEU HD13 H 1 0.795 . . 2 . . . . 68 LEU HD11 . 16748 1 781 . 1 1 80 80 LEU HD21 H 1 0.713 . . 2 . . . . 68 LEU HD21 . 16748 1 782 . 1 1 80 80 LEU HD22 H 1 0.713 . . 2 . . . . 68 LEU HD21 . 16748 1 783 . 1 1 80 80 LEU HD23 H 1 0.713 . . 2 . . . . 68 LEU HD21 . 16748 1 784 . 1 1 80 80 LEU HG H 1 1.414 . . 1 . . . . 68 LEU HG . 16748 1 785 . 1 1 80 80 LEU C C 13 176.812 . . 1 . . . . 68 LEU C . 16748 1 786 . 1 1 80 80 LEU CA C 13 55.717 . . 1 . . . . 68 LEU CA . 16748 1 787 . 1 1 80 80 LEU CB C 13 40.047 . . 1 . . . . 68 LEU CB . 16748 1 788 . 1 1 80 80 LEU CD1 C 13 26.673 . . 1 . . . . 68 LEU CD1 . 16748 1 789 . 1 1 80 80 LEU CD2 C 13 23.341 . . 1 . . . . 68 LEU CD2 . 16748 1 790 . 1 1 80 80 LEU CG C 13 26.763 . . 1 . . . . 68 LEU CG . 16748 1 791 . 1 1 80 80 LEU N N 15 125.265 . . 1 . . . . 68 LEU N . 16748 1 792 . 1 1 81 81 ALA H H 1 8.597 . . 1 . . . . 69 ALA HN . 16748 1 793 . 1 1 81 81 ALA HA H 1 4.503 . . 1 . . . . 69 ALA HA . 16748 1 794 . 1 1 81 81 ALA HB1 H 1 1.422 . . 1 . . . . 69 ALA HB1 . 16748 1 795 . 1 1 81 81 ALA HB2 H 1 1.422 . . 1 . . . . 69 ALA HB1 . 16748 1 796 . 1 1 81 81 ALA HB3 H 1 1.422 . . 1 . . . . 69 ALA HB1 . 16748 1 797 . 1 1 81 81 ALA C C 13 177.051 . . 1 . . . . 69 ALA C . 16748 1 798 . 1 1 81 81 ALA CA C 13 51.016 . . 1 . . . . 69 ALA CA . 16748 1 799 . 1 1 81 81 ALA CB C 13 22.139 . . 1 . . . . 69 ALA CB . 16748 1 800 . 1 1 81 81 ALA N N 15 124.698 . . 1 . . . . 69 ALA N . 16748 1 801 . 1 1 82 82 SER H H 1 8.914 . . 1 . . . . 70 SER HN . 16748 1 802 . 1 1 82 82 SER HA H 1 4.053 . . 1 . . . . 70 SER HA . 16748 1 803 . 1 1 82 82 SER HB2 H 1 3.900 . . 2 . . . . 70 SER HB1 . 16748 1 804 . 1 1 82 82 SER HB3 H 1 3.700 . . 2 . . . . 70 SER HB2 . 16748 1 805 . 1 1 82 82 SER C C 13 171.210 . . 1 . . . . 70 SER C . 16748 1 806 . 1 1 82 82 SER CA C 13 57.359 . . 1 . . . . 70 SER CA . 16748 1 807 . 1 1 82 82 SER CB C 13 62.507 . . 1 . . . . 70 SER CB . 16748 1 808 . 1 1 82 82 SER N N 15 111.816 . . 1 . . . . 70 SER N . 16748 1 809 . 1 1 83 83 PRO HA H 1 4.788 . . 1 . . . . 71 PRO HA . 16748 1 810 . 1 1 83 83 PRO HB2 H 1 2.194 . . 2 . . . . 71 PRO HB1 . 16748 1 811 . 1 1 83 83 PRO HB3 H 1 1.817 . . 2 . . . . 71 PRO HB2 . 16748 1 812 . 1 1 83 83 PRO HD2 H 1 3.691 . . 2 . . . . 71 PRO HD1 . 16748 1 813 . 1 1 83 83 PRO HD3 H 1 3.688 . . 2 . . . . 71 PRO HD2 . 16748 1 814 . 1 1 83 83 PRO HG2 H 1 2.078 . . 2 . . . . 71 PRO HG1 . 16748 1 815 . 1 1 83 83 PRO HG3 H 1 2.074 . . 2 . . . . 71 PRO HG2 . 16748 1 816 . 1 1 83 83 PRO C C 13 177.916 . . 1 . . . . 71 PRO C . 16748 1 817 . 1 1 83 83 PRO CA C 13 62.731 . . 1 . . . . 71 PRO CA . 16748 1 818 . 1 1 83 83 PRO CB C 13 31.839 . . 1 . . . . 71 PRO CB . 16748 1 819 . 1 1 83 83 PRO CD C 13 50.605 . . 1 . . . . 71 PRO CD . 16748 1 820 . 1 1 83 83 PRO CG C 13 27.718 . . 1 . . . . 71 PRO CG . 16748 1 821 . 1 1 84 84 ARG H H 1 8.065 . . 1 . . . . 72 ARG HN . 16748 1 822 . 1 1 84 84 ARG HA H 1 4.594 . . 1 . . . . 72 ARG HA . 16748 1 823 . 1 1 84 84 ARG HB2 H 1 1.717 . . 2 . . . . 72 ARG HB1 . 16748 1 824 . 1 1 84 84 ARG HB3 H 1 1.480 . . 2 . . . . 72 ARG HB2 . 16748 1 825 . 1 1 84 84 ARG HD2 H 1 3.110 . . 2 . . . . 72 ARG HD1 . 16748 1 826 . 1 1 84 84 ARG HD3 H 1 3.110 . . 2 . . . . 72 ARG HD2 . 16748 1 827 . 1 1 84 84 ARG HG2 H 1 1.559 . . 2 . . . . 72 ARG HG1 . 16748 1 828 . 1 1 84 84 ARG HG3 H 1 1.557 . . 2 . . . . 72 ARG HG2 . 16748 1 829 . 1 1 84 84 ARG C C 13 174.275 . . 1 . . . . 72 ARG C . 16748 1 830 . 1 1 84 84 ARG CA C 13 54.747 . . 1 . . . . 72 ARG CA . 16748 1 831 . 1 1 84 84 ARG CB C 13 34.376 . . 1 . . . . 72 ARG CB . 16748 1 832 . 1 1 84 84 ARG CD C 13 43.492 . . 1 . . . . 72 ARG CD . 16748 1 833 . 1 1 84 84 ARG CG C 13 27.079 . . 1 . . . . 72 ARG CG . 16748 1 834 . 1 1 84 84 ARG N N 15 123.153 . . 1 . . . . 72 ARG N . 16748 1 835 . 1 1 85 85 PHE H H 1 8.658 . . 1 . . . . 73 PHE HN . 16748 1 836 . 1 1 85 85 PHE HA H 1 5.444 . . 1 . . . . 73 PHE HA . 16748 1 837 . 1 1 85 85 PHE HB2 H 1 2.859 . . 2 . . . . 73 PHE HB1 . 16748 1 838 . 1 1 85 85 PHE HB3 H 1 2.846 . . 2 . . . . 73 PHE HB2 . 16748 1 839 . 1 1 85 85 PHE HD1 H 1 7.157 . . 3 . . . . 73 PHE HD1 . 16748 1 840 . 1 1 85 85 PHE HD2 H 1 7.157 . . 3 . . . . 73 PHE HD2 . 16748 1 841 . 1 1 85 85 PHE HE1 H 1 7.340 . . 3 . . . . 73 PHE HE1 . 16748 1 842 . 1 1 85 85 PHE HE2 H 1 7.340 . . 3 . . . . 73 PHE HE2 . 16748 1 843 . 1 1 85 85 PHE C C 13 174.827 . . 1 . . . . 73 PHE C . 16748 1 844 . 1 1 85 85 PHE CA C 13 55.979 . . 1 . . . . 73 PHE CA . 16748 1 845 . 1 1 85 85 PHE CB C 13 43.041 . . 1 . . . . 73 PHE CB . 16748 1 846 . 1 1 85 85 PHE CD1 C 13 134.080 . . 3 . . . . 73 PHE CD1 . 16748 1 847 . 1 1 85 85 PHE CD2 C 13 134.080 . . 3 . . . . 73 PHE CD2 . 16748 1 848 . 1 1 85 85 PHE CE1 C 13 131.740 . . 3 . . . . 73 PHE CE1 . 16748 1 849 . 1 1 85 85 PHE CE2 C 13 131.740 . . 3 . . . . 73 PHE CE2 . 16748 1 850 . 1 1 85 85 PHE N N 15 123.015 . . 1 . . . . 73 PHE N . 16748 1 851 . 1 1 86 86 SER H H 1 8.794 . . 1 . . . . 74 SER HN . 16748 1 852 . 1 1 86 86 SER HA H 1 4.585 . . 1 . . . . 74 SER HA . 16748 1 853 . 1 1 86 86 SER HB2 H 1 3.659 . . 2 . . . . 74 SER HB1 . 16748 1 854 . 1 1 86 86 SER HB3 H 1 3.662 . . 2 . . . . 74 SER HB2 . 16748 1 855 . 1 1 86 86 SER C C 13 172.186 . . 1 . . . . 74 SER C . 16748 1 856 . 1 1 86 86 SER CA C 13 56.341 . . 1 . . . . 74 SER CA . 16748 1 857 . 1 1 86 86 SER CB C 13 65.764 . . 1 . . . . 74 SER CB . 16748 1 858 . 1 1 86 86 SER N N 15 117.879 . . 1 . . . . 74 SER N . 16748 1 859 . 1 1 87 87 TYR H H 1 8.455 . . 1 . . . . 75 TYR HN . 16748 1 860 . 1 1 87 87 TYR HA H 1 4.730 . . 1 . . . . 75 TYR HA . 16748 1 861 . 1 1 87 87 TYR HB2 H 1 2.731 . . 2 . . . . 75 TYR HB1 . 16748 1 862 . 1 1 87 87 TYR HB3 H 1 2.730 . . 2 . . . . 75 TYR HB2 . 16748 1 863 . 1 1 87 87 TYR HD1 H 1 7.150 . . 3 . . . . 75 TYR HD1 . 16748 1 864 . 1 1 87 87 TYR HD2 H 1 7.150 . . 3 . . . . 75 TYR HD2 . 16748 1 865 . 1 1 87 87 TYR HE1 H 1 6.805 . . 3 . . . . 75 TYR HE1 . 16748 1 866 . 1 1 87 87 TYR HE2 H 1 6.805 . . 3 . . . . 75 TYR HE2 . 16748 1 867 . 1 1 87 87 TYR C C 13 175.100 . . 1 . . . . 75 TYR C . 16748 1 868 . 1 1 87 87 TYR CA C 13 52.900 . . 1 . . . . 75 TYR CA . 16748 1 869 . 1 1 87 87 TYR CB C 13 38.950 . . 1 . . . . 75 TYR CB . 16748 1 870 . 1 1 87 87 TYR CD1 C 13 131.190 . . 3 . . . . 75 TYR CD1 . 16748 1 871 . 1 1 87 87 TYR CD2 C 13 131.190 . . 3 . . . . 75 TYR CD2 . 16748 1 872 . 1 1 87 87 TYR CE1 C 13 118.075 . . 3 . . . . 75 TYR CE1 . 16748 1 873 . 1 1 87 87 TYR CE2 C 13 118.075 . . 3 . . . . 75 TYR CE2 . 16748 1 874 . 1 1 87 87 TYR N N 15 120.932 . . 1 . . . . 75 TYR N . 16748 1 875 . 1 1 88 88 ILE H H 1 8.170 . . 1 . . . . 76 ILE HN . 16748 1 876 . 1 1 88 88 ILE HA H 1 4.269 . . 1 . . . . 76 ILE HA . 16748 1 877 . 1 1 88 88 ILE HB H 1 1.743 . . 1 . . . . 76 ILE HB . 16748 1 878 . 1 1 88 88 ILE HD11 H 1 0.851 . . 1 . . . . 76 ILE HD11 . 16748 1 879 . 1 1 88 88 ILE HD12 H 1 0.851 . . 1 . . . . 76 ILE HD11 . 16748 1 880 . 1 1 88 88 ILE HD13 H 1 0.851 . . 1 . . . . 76 ILE HD11 . 16748 1 881 . 1 1 88 88 ILE HG12 H 1 1.352 . . 1 . . . . 76 ILE HG11 . 16748 1 882 . 1 1 88 88 ILE HG13 H 1 1.348 . . 1 . . . . 76 ILE HG12 . 16748 1 883 . 1 1 88 88 ILE HG21 H 1 0.758 . . 1 . . . . 76 ILE HG21 . 16748 1 884 . 1 1 88 88 ILE HG22 H 1 0.758 . . 1 . . . . 76 ILE HG21 . 16748 1 885 . 1 1 88 88 ILE HG23 H 1 0.758 . . 1 . . . . 76 ILE HG21 . 16748 1 886 . 1 1 88 88 ILE CA C 13 59.336 . . 1 . . . . 76 ILE CA . 16748 1 887 . 1 1 88 88 ILE CB C 13 39.635 . . 1 . . . . 76 ILE CB . 16748 1 888 . 1 1 88 88 ILE CD1 C 13 13.126 . . 1 . . . . 76 ILE CD1 . 16748 1 889 . 1 1 88 88 ILE CG1 C 13 26.802 . . 1 . . . . 76 ILE CG1 . 16748 1 890 . 1 1 88 88 ILE CG2 C 13 17.324 . . 1 . . . . 76 ILE CG2 . 16748 1 891 . 1 1 88 88 ILE N N 15 121.716 . . 1 . . . . 76 ILE N . 16748 1 892 . 1 1 89 89 PRO HA H 1 4.697 . . 1 . . . . 77 PRO HA . 16748 1 893 . 1 1 89 89 PRO HB2 H 1 2.578 . . 2 . . . . 77 PRO HB1 . 16748 1 894 . 1 1 89 89 PRO HB3 H 1 1.835 . . 2 . . . . 77 PRO HB2 . 16748 1 895 . 1 1 89 89 PRO HD2 H 1 3.878 . . 2 . . . . 77 PRO HD1 . 16748 1 896 . 1 1 89 89 PRO HD3 H 1 3.878 . . 2 . . . . 77 PRO HD2 . 16748 1 897 . 1 1 89 89 PRO HG2 H 1 1.951 . . 2 . . . . 77 PRO HG1 . 16748 1 898 . 1 1 89 89 PRO HG3 H 1 1.890 . . 2 . . . . 77 PRO HG2 . 16748 1 899 . 1 1 89 89 PRO C C 13 175.976 . . 1 . . . . 77 PRO C . 16748 1 900 . 1 1 89 89 PRO CA C 13 63.403 . . 1 . . . . 77 PRO CA . 16748 1 901 . 1 1 89 89 PRO CB C 13 34.451 . . 1 . . . . 77 PRO CB . 16748 1 902 . 1 1 89 89 PRO CD C 13 51.261 . . 1 . . . . 77 PRO CD . 16748 1 903 . 1 1 89 89 PRO CG C 13 26.582 . . 1 . . . . 77 PRO CG . 16748 1 904 . 1 1 90 90 ASN H H 1 8.456 . . 1 . . . . 78 ASN HN . 16748 1 905 . 1 1 90 90 ASN HA H 1 4.724 . . 1 . . . . 78 ASN HA . 16748 1 906 . 1 1 90 90 ASN HB2 H 1 3.077 . . 2 . . . . 78 ASN HB1 . 16748 1 907 . 1 1 90 90 ASN HB3 H 1 2.781 . . 2 . . . . 78 ASN HB2 . 16748 1 908 . 1 1 90 90 ASN C C 13 174.066 . . 1 . . . . 78 ASN C . 16748 1 909 . 1 1 90 90 ASN CA C 13 53.029 . . 1 . . . . 78 ASN CA . 16748 1 910 . 1 1 90 90 ASN CB C 13 36.764 . . 1 . . . . 78 ASN CB . 16748 1 911 . 1 1 90 90 ASN N N 15 116.645 . . 1 . . . . 78 ASN N . 16748 1 912 . 1 1 91 91 ASN H H 1 7.918 . . 1 . . . . 79 ASN HN . 16748 1 913 . 1 1 91 91 ASN HA H 1 4.996 . . 1 . . . . 79 ASN HA . 16748 1 914 . 1 1 91 91 ASN HB2 H 1 2.354 . . 2 . . . . 79 ASN HB1 . 16748 1 915 . 1 1 91 91 ASN HB3 H 1 2.625 . . 2 . . . . 79 ASN HB2 . 16748 1 916 . 1 1 91 91 ASN C C 13 171.992 . . 1 . . . . 79 ASN C . 16748 1 917 . 1 1 91 91 ASN CA C 13 49.748 . . 1 . . . . 79 ASN CA . 16748 1 918 . 1 1 91 91 ASN CB C 13 38.779 . . 1 . . . . 79 ASN CB . 16748 1 919 . 1 1 91 91 ASN N N 15 125.606 . . 1 . . . . 79 ASN N . 16748 1 920 . 1 1 92 92 PRO HA H 1 2.945 . . 1 . . . . 80 PRO HA . 16748 1 921 . 1 1 92 92 PRO HB2 H 1 2.194 . . 2 . . . . 80 PRO HB1 . 16748 1 922 . 1 1 92 92 PRO HB3 H 1 1.812 . . 2 . . . . 80 PRO HB2 . 16748 1 923 . 1 1 92 92 PRO HD2 H 1 3.611 . . 2 . . . . 80 PRO HD1 . 16748 1 924 . 1 1 92 92 PRO HD3 H 1 3.498 . . 2 . . . . 80 PRO HD2 . 16748 1 925 . 1 1 92 92 PRO HG2 H 1 1.947 . . 2 . . . . 80 PRO HG1 . 16748 1 926 . 1 1 92 92 PRO HG3 H 1 1.947 . . 2 . . . . 80 PRO HG2 . 16748 1 927 . 1 1 92 92 PRO C C 13 175.480 . . 1 . . . . 80 PRO C . 16748 1 928 . 1 1 92 92 PRO CA C 13 62.953 . . 1 . . . . 80 PRO CA . 16748 1 929 . 1 1 92 92 PRO CB C 13 32.864 . . 1 . . . . 80 PRO CB . 16748 1 930 . 1 1 92 92 PRO CD C 13 50.549 . . 1 . . . . 80 PRO CD . 16748 1 931 . 1 1 92 92 PRO CG C 13 26.906 . . 1 . . . . 80 PRO CG . 16748 1 932 . 1 1 93 93 ALA H H 1 6.065 . . 1 . . . . 81 ALA HN . 16748 1 933 . 1 1 93 93 ALA HA H 1 4.282 . . 1 . . . . 81 ALA HA . 16748 1 934 . 1 1 93 93 ALA HB1 H 1 1.270 . . 1 . . . . 81 ALA HB1 . 16748 1 935 . 1 1 93 93 ALA HB2 H 1 1.270 . . 1 . . . . 81 ALA HB1 . 16748 1 936 . 1 1 93 93 ALA HB3 H 1 1.270 . . 1 . . . . 81 ALA HB1 . 16748 1 937 . 1 1 93 93 ALA C C 13 176.528 . . 1 . . . . 81 ALA C . 16748 1 938 . 1 1 93 93 ALA CA C 13 51.091 . . 1 . . . . 81 ALA CA . 16748 1 939 . 1 1 93 93 ALA CB C 13 21.169 . . 1 . . . . 81 ALA CB . 16748 1 940 . 1 1 93 93 ALA N N 15 121.686 . . 1 . . . . 81 ALA N . 16748 1 941 . 1 1 94 94 ASN H H 1 8.433 . . 1 . . . . 82 ASN HN . 16748 1 942 . 1 1 94 94 ASN HA H 1 4.734 . . 1 . . . . 82 ASN HA . 16748 1 943 . 1 1 94 94 ASN HB2 H 1 2.745 . . 2 . . . . 82 ASN HB1 . 16748 1 944 . 1 1 94 94 ASN HB3 H 1 2.745 . . 2 . . . . 82 ASN HB2 . 16748 1 945 . 1 1 94 94 ASN C C 13 174.633 . . 1 . . . . 82 ASN C . 16748 1 946 . 1 1 94 94 ASN CA C 13 52.900 . . 1 . . . . 82 ASN CA . 16748 1 947 . 1 1 94 94 ASN CB C 13 39.600 . . 1 . . . . 82 ASN CB . 16748 1 948 . 1 1 94 94 ASN N N 15 119.609 . . 1 . . . . 82 ASN N . 16748 1 949 . 1 1 95 95 ILE H H 1 8.242 . . 1 . . . . 83 ILE HN . 16748 1 950 . 1 1 95 95 ILE HA H 1 4.166 . . 1 . . . . 83 ILE HA . 16748 1 951 . 1 1 95 95 ILE HB H 1 1.867 . . 1 . . . . 83 ILE HB . 16748 1 952 . 1 1 95 95 ILE HD11 H 1 0.690 . . 1 . . . . 83 ILE HD11 . 16748 1 953 . 1 1 95 95 ILE HD12 H 1 0.690 . . 1 . . . . 83 ILE HD11 . 16748 1 954 . 1 1 95 95 ILE HD13 H 1 0.690 . . 1 . . . . 83 ILE HD11 . 16748 1 955 . 1 1 95 95 ILE HG12 H 1 1.144 . . 1 . . . . 83 ILE HG11 . 16748 1 956 . 1 1 95 95 ILE HG13 H 1 1.118 . . 1 . . . . 83 ILE HG12 . 16748 1 957 . 1 1 95 95 ILE HG21 H 1 0.890 . . 1 . . . . 83 ILE HG21 . 16748 1 958 . 1 1 95 95 ILE HG22 H 1 0.890 . . 1 . . . . 83 ILE HG21 . 16748 1 959 . 1 1 95 95 ILE HG23 H 1 0.890 . . 1 . . . . 83 ILE HG21 . 16748 1 960 . 1 1 95 95 ILE C C 13 175.484 . . 1 . . . . 83 ILE C . 16748 1 961 . 1 1 95 95 ILE CA C 13 61.467 . . 1 . . . . 83 ILE CA . 16748 1 962 . 1 1 95 95 ILE CB C 13 37.923 . . 1 . . . . 83 ILE CB . 16748 1 963 . 1 1 95 95 ILE CD1 C 13 12.660 . . 1 . . . . 83 ILE CD1 . 16748 1 964 . 1 1 95 95 ILE CG1 C 13 27.761 . . 1 . . . . 83 ILE CG1 . 16748 1 965 . 1 1 95 95 ILE CG2 C 13 18.100 . . 1 . . . . 83 ILE CG2 . 16748 1 966 . 1 1 95 95 ILE N N 15 123.940 . . 1 . . . . 83 ILE N . 16748 1 967 . 1 1 96 96 MET H H 1 8.198 . . 1 . . . . 84 MET HN . 16748 1 968 . 1 1 96 96 MET HA H 1 4.600 . . 1 . . . . 84 MET HA . 16748 1 969 . 1 1 96 96 MET HB2 H 1 1.830 . . 2 . . . . 84 MET HB1 . 16748 1 970 . 1 1 96 96 MET HB3 H 1 1.712 . . 2 . . . . 84 MET HB2 . 16748 1 971 . 1 1 96 96 MET HE1 H 1 0.808 . . 1 . . . . 84 MET HE1 . 16748 1 972 . 1 1 96 96 MET HE2 H 1 0.808 . . 1 . . . . 84 MET HE1 . 16748 1 973 . 1 1 96 96 MET HE3 H 1 0.808 . . 1 . . . . 84 MET HE1 . 16748 1 974 . 1 1 96 96 MET HG2 H 1 2.474 . . 2 . . . . 84 MET HG1 . 16748 1 975 . 1 1 96 96 MET HG3 H 1 2.409 . . 2 . . . . 84 MET HG2 . 16748 1 976 . 1 1 96 96 MET C C 13 175.200 . . 1 . . . . 84 MET C . 16748 1 977 . 1 1 96 96 MET CA C 13 54.981 . . 1 . . . . 84 MET CA . 16748 1 978 . 1 1 96 96 MET CB C 13 33.030 . . 1 . . . . 84 MET CB . 16748 1 979 . 1 1 96 96 MET CE C 13 17.040 . . 1 . . . . 84 MET CE . 16748 1 980 . 1 1 96 96 MET CG C 13 32.207 . . 1 . . . . 84 MET CG . 16748 1 981 . 1 1 96 96 MET N N 15 126.425 . . 1 . . . . 84 MET N . 16748 1 982 . 1 1 97 97 ASN H H 1 8.324 . . 1 . . . . 85 ASN HN . 16748 1 983 . 1 1 97 97 ASN HA H 1 4.566 . . 1 . . . . 85 ASN HA . 16748 1 984 . 1 1 97 97 ASN HB2 H 1 2.702 . . 2 . . . . 85 ASN HB1 . 16748 1 985 . 1 1 97 97 ASN HB3 H 1 2.399 . . 2 . . . . 85 ASN HB2 . 16748 1 986 . 1 1 97 97 ASN C C 13 174.499 . . 1 . . . . 85 ASN C . 16748 1 987 . 1 1 97 97 ASN CA C 13 53.404 . . 1 . . . . 85 ASN CA . 16748 1 988 . 1 1 97 97 ASN CB C 13 38.182 . . 1 . . . . 85 ASN CB . 16748 1 989 . 1 1 97 97 ASN N N 15 119.716 . . 1 . . . . 85 ASN N . 16748 1 990 . 1 1 98 98 GLY H H 1 7.880 . . 1 . . . . 86 GLY HN . 16748 1 991 . 1 1 98 98 GLY HA2 H 1 4.005 . . 2 . . . . 86 GLY HA1 . 16748 1 992 . 1 1 98 98 GLY HA3 H 1 3.398 . . 2 . . . . 86 GLY HA2 . 16748 1 993 . 1 1 98 98 GLY C C 13 172.410 . . 1 . . . . 86 GLY C . 16748 1 994 . 1 1 98 98 GLY CA C 13 45.420 . . 1 . . . . 86 GLY CA . 16748 1 995 . 1 1 98 98 GLY N N 15 108.209 . . 1 . . . . 86 GLY N . 16748 1 996 . 1 1 99 99 PHE H H 1 6.885 . . 1 . . . . 87 PHE HN . 16748 1 997 . 1 1 99 99 PHE HA H 1 5.082 . . 1 . . . . 87 PHE HA . 16748 1 998 . 1 1 99 99 PHE HB2 H 1 3.236 . . 2 . . . . 87 PHE HB1 . 16748 1 999 . 1 1 99 99 PHE HB3 H 1 3.055 . . 2 . . . . 87 PHE HB2 . 16748 1 1000 . 1 1 99 99 PHE HD1 H 1 6.750 . . 3 . . . . 87 PHE HD1 . 16748 1 1001 . 1 1 99 99 PHE HD2 H 1 6.750 . . 3 . . . . 87 PHE HD2 . 16748 1 1002 . 1 1 99 99 PHE HE1 H 1 7.120 . . 3 . . . . 87 PHE HE1 . 16748 1 1003 . 1 1 99 99 PHE HE2 H 1 7.120 . . 3 . . . . 87 PHE HE2 . 16748 1 1004 . 1 1 99 99 PHE HZ H 1 7.195 . . 1 . . . . 87 PHE HZ . 16748 1 1005 . 1 1 99 99 PHE C C 13 173.097 . . 1 . . . . 87 PHE C . 16748 1 1006 . 1 1 99 99 PHE CA C 13 55.792 . . 1 . . . . 87 PHE CA . 16748 1 1007 . 1 1 99 99 PHE CB C 13 39.600 . . 1 . . . . 87 PHE CB . 16748 1 1008 . 1 1 99 99 PHE CD1 C 13 132.840 . . 3 . . . . 87 PHE CD1 . 16748 1 1009 . 1 1 99 99 PHE CD2 C 13 132.840 . . 3 . . . . 87 PHE CD2 . 16748 1 1010 . 1 1 99 99 PHE CE1 C 13 131.200 . . 3 . . . . 87 PHE CE1 . 16748 1 1011 . 1 1 99 99 PHE CE2 C 13 131.200 . . 3 . . . . 87 PHE CE2 . 16748 1 1012 . 1 1 99 99 PHE CZ C 13 130.650 . . 1 . . . . 87 PHE CZ . 16748 1 1013 . 1 1 99 99 PHE N N 15 113.156 . . 1 . . . . 87 PHE N . 16748 1 1014 . 1 1 100 100 VAL H H 1 9.428 . . 1 . . . . 88 VAL HN . 16748 1 1015 . 1 1 100 100 VAL HA H 1 4.321 . . 1 . . . . 88 VAL HA . 16748 1 1016 . 1 1 100 100 VAL HB H 1 2.139 . . 1 . . . . 88 VAL HB . 16748 1 1017 . 1 1 100 100 VAL HG11 H 1 1.047 . . 2 . . . . 88 VAL HG11 . 16748 1 1018 . 1 1 100 100 VAL HG12 H 1 1.047 . . 2 . . . . 88 VAL HG11 . 16748 1 1019 . 1 1 100 100 VAL HG13 H 1 1.047 . . 2 . . . . 88 VAL HG11 . 16748 1 1020 . 1 1 100 100 VAL HG21 H 1 1.053 . . 2 . . . . 88 VAL HG21 . 16748 1 1021 . 1 1 100 100 VAL HG22 H 1 1.053 . . 2 . . . . 88 VAL HG21 . 16748 1 1022 . 1 1 100 100 VAL HG23 H 1 1.053 . . 2 . . . . 88 VAL HG21 . 16748 1 1023 . 1 1 100 100 VAL C C 13 173.708 . . 1 . . . . 88 VAL C . 16748 1 1024 . 1 1 100 100 VAL CA C 13 61.646 . . 1 . . . . 88 VAL CA . 16748 1 1025 . 1 1 100 100 VAL CB C 13 33.979 . . 1 . . . . 88 VAL CB . 16748 1 1026 . 1 1 100 100 VAL CG1 C 13 21.500 . . 1 . . . . 88 VAL CG1 . 16748 1 1027 . 1 1 100 100 VAL CG2 C 13 21.500 . . 1 . . . . 88 VAL CG2 . 16748 1 1028 . 1 1 100 100 VAL N N 15 120.785 . . 1 . . . . 88 VAL N . 16748 1 1029 . 1 1 101 101 LEU H H 1 8.354 . . 1 . . . . 89 LEU HN . 16748 1 1030 . 1 1 101 101 LEU HA H 1 5.750 . . 1 . . . . 89 LEU HA . 16748 1 1031 . 1 1 101 101 LEU HB2 H 1 2.032 . . 2 . . . . 89 LEU HB1 . 16748 1 1032 . 1 1 101 101 LEU HB3 H 1 1.416 . . 2 . . . . 89 LEU HB2 . 16748 1 1033 . 1 1 101 101 LEU HD11 H 1 0.944 . . 2 . . . . 89 LEU HD11 . 16748 1 1034 . 1 1 101 101 LEU HD12 H 1 0.944 . . 2 . . . . 89 LEU HD11 . 16748 1 1035 . 1 1 101 101 LEU HD13 H 1 0.944 . . 2 . . . . 89 LEU HD11 . 16748 1 1036 . 1 1 101 101 LEU HD21 H 1 0.897 . . 2 . . . . 89 LEU HD21 . 16748 1 1037 . 1 1 101 101 LEU HD22 H 1 0.897 . . 2 . . . . 89 LEU HD21 . 16748 1 1038 . 1 1 101 101 LEU HD23 H 1 0.897 . . 2 . . . . 89 LEU HD21 . 16748 1 1039 . 1 1 101 101 LEU HG H 1 1.629 . . 1 . . . . 89 LEU HG . 16748 1 1040 . 1 1 101 101 LEU C C 13 177.707 . . 1 . . . . 89 LEU C . 16748 1 1041 . 1 1 101 101 LEU CA C 13 53.180 . . 1 . . . . 89 LEU CA . 16748 1 1042 . 1 1 101 101 LEU CB C 13 45.993 . . 1 . . . . 89 LEU CB . 16748 1 1043 . 1 1 101 101 LEU CD1 C 13 26.200 . . 1 . . . . 89 LEU CD1 . 16748 1 1044 . 1 1 101 101 LEU CD2 C 13 24.586 . . 1 . . . . 89 LEU CD2 . 16748 1 1045 . 1 1 101 101 LEU CG C 13 27.580 . . 1 . . . . 89 LEU CG . 16748 1 1046 . 1 1 101 101 LEU N N 15 129.923 . . 1 . . . . 89 LEU N . 16748 1 1047 . 1 1 102 102 THR H H 1 9.436 . . 1 . . . . 90 THR HN . 16748 1 1048 . 1 1 102 102 THR HA H 1 4.205 . . 1 . . . . 90 THR HA . 16748 1 1049 . 1 1 102 102 THR HB H 1 4.566 . . 1 . . . . 90 THR HB . 16748 1 1050 . 1 1 102 102 THR HG21 H 1 1.492 . . 1 . . . . 90 THR HG21 . 16748 1 1051 . 1 1 102 102 THR HG22 H 1 1.492 . . 1 . . . . 90 THR HG21 . 16748 1 1052 . 1 1 102 102 THR HG23 H 1 1.492 . . 1 . . . . 90 THR HG21 . 16748 1 1053 . 1 1 102 102 THR C C 13 174.529 . . 1 . . . . 90 THR C . 16748 1 1054 . 1 1 102 102 THR CA C 13 62.499 . . 1 . . . . 90 THR CA . 16748 1 1055 . 1 1 102 102 THR CB C 13 69.708 . . 1 . . . . 90 THR CB . 16748 1 1056 . 1 1 102 102 THR CG2 C 13 25.130 . . 1 . . . . 90 THR CG2 . 16748 1 1057 . 1 1 102 102 THR N N 15 119.596 . . 1 . . . . 90 THR N . 16748 1 1058 . 1 1 103 103 ASN H H 1 8.705 . . 1 . . . . 91 ASN HN . 16748 1 1059 . 1 1 103 103 ASN HA H 1 4.907 . . 1 . . . . 91 ASN HA . 16748 1 1060 . 1 1 103 103 ASN HB2 H 1 2.790 . . 2 . . . . 91 ASN HB1 . 16748 1 1061 . 1 1 103 103 ASN HB3 H 1 2.358 . . 2 . . . . 91 ASN HB2 . 16748 1 1062 . 1 1 103 103 ASN C C 13 173.649 . . 1 . . . . 91 ASN C . 16748 1 1063 . 1 1 103 103 ASN CA C 13 51.464 . . 1 . . . . 91 ASN CA . 16748 1 1064 . 1 1 103 103 ASN CB C 13 37.510 . . 1 . . . . 91 ASN CB . 16748 1 1065 . 1 1 103 103 ASN N N 15 120.839 . . 1 . . . . 91 ASN N . 16748 1 1066 . 1 1 104 104 PRO HA H 1 4.386 . . 1 . . . . 92 PRO HA . 16748 1 1067 . 1 1 104 104 PRO HB2 H 1 2.362 . . 2 . . . . 92 PRO HB1 . 16748 1 1068 . 1 1 104 104 PRO HB3 H 1 2.355 . . 2 . . . . 92 PRO HB2 . 16748 1 1069 . 1 1 104 104 PRO HD2 H 1 3.585 . . 2 . . . . 92 PRO HD1 . 16748 1 1070 . 1 1 104 104 PRO HD3 H 1 3.701 . . 2 . . . . 92 PRO HD2 . 16748 1 1071 . 1 1 104 104 PRO HG2 H 1 1.879 . . 2 . . . . 92 PRO HG1 . 16748 1 1072 . 1 1 104 104 PRO HG3 H 1 1.879 . . 2 . . . . 92 PRO HG2 . 16748 1 1073 . 1 1 104 104 PRO C C 13 176.931 . . 1 . . . . 92 PRO C . 16748 1 1074 . 1 1 104 104 PRO CA C 13 64.373 . . 1 . . . . 92 PRO CA . 16748 1 1075 . 1 1 104 104 PRO CB C 13 31.242 . . 1 . . . . 92 PRO CB . 16748 1 1076 . 1 1 104 104 PRO CD C 13 51.080 . . 1 . . . . 92 PRO CD . 16748 1 1077 . 1 1 104 104 PRO CG C 13 28.200 . . 1 . . . . 92 PRO CG . 16748 1 1078 . 1 1 105 105 GLY H H 1 9.723 . . 1 . . . . 93 GLY HN . 16748 1 1079 . 1 1 105 105 GLY HA2 H 1 4.436 . . 2 . . . . 93 GLY HA1 . 16748 1 1080 . 1 1 105 105 GLY HA3 H 1 3.456 . . 2 . . . . 93 GLY HA2 . 16748 1 1081 . 1 1 105 105 GLY C C 13 173.962 . . 1 . . . . 93 GLY C . 16748 1 1082 . 1 1 105 105 GLY CA C 13 45.047 . . 1 . . . . 93 GLY CA . 16748 1 1083 . 1 1 105 105 GLY N N 15 114.716 . . 1 . . . . 93 GLY N . 16748 1 1084 . 1 1 106 106 VAL H H 1 7.384 . . 1 . . . . 94 VAL HN . 16748 1 1085 . 1 1 106 106 VAL HA H 1 4.472 . . 1 . . . . 94 VAL HA . 16748 1 1086 . 1 1 106 106 VAL HB H 1 2.325 . . 1 . . . . 94 VAL HB . 16748 1 1087 . 1 1 106 106 VAL HG11 H 1 1.234 . . 2 . . . . 94 VAL HG11 . 16748 1 1088 . 1 1 106 106 VAL HG12 H 1 1.234 . . 2 . . . . 94 VAL HG11 . 16748 1 1089 . 1 1 106 106 VAL HG13 H 1 1.234 . . 2 . . . . 94 VAL HG11 . 16748 1 1090 . 1 1 106 106 VAL HG21 H 1 1.236 . . 2 . . . . 94 VAL HG21 . 16748 1 1091 . 1 1 106 106 VAL HG22 H 1 1.236 . . 2 . . . . 94 VAL HG21 . 16748 1 1092 . 1 1 106 106 VAL HG23 H 1 1.236 . . 2 . . . . 94 VAL HG21 . 16748 1 1093 . 1 1 106 106 VAL C C 13 176.454 . . 1 . . . . 94 VAL C . 16748 1 1094 . 1 1 106 106 VAL CA C 13 63.850 . . 1 . . . . 94 VAL CA . 16748 1 1095 . 1 1 106 106 VAL CB C 13 32.436 . . 1 . . . . 94 VAL CB . 16748 1 1096 . 1 1 106 106 VAL CG1 C 13 22.136 . . 1 . . . . 94 VAL CG1 . 16748 1 1097 . 1 1 106 106 VAL CG2 C 13 22.136 . . 1 . . . . 94 VAL CG2 . 16748 1 1098 . 1 1 106 106 VAL N N 15 120.706 . . 1 . . . . 94 VAL N . 16748 1 1099 . 1 1 107 107 TYR H H 1 8.750 . . 1 . . . . 95 TYR HN . 16748 1 1100 . 1 1 107 107 TYR HA H 1 5.087 . . 1 . . . . 95 TYR HA . 16748 1 1101 . 1 1 107 107 TYR HB2 H 1 4.008 . . 2 . . . . 95 TYR HB1 . 16748 1 1102 . 1 1 107 107 TYR HB3 H 1 2.422 . . 2 . . . . 95 TYR HB2 . 16748 1 1103 . 1 1 107 107 TYR HD1 H 1 7.230 . . 3 . . . . 95 TYR HD1 . 16748 1 1104 . 1 1 107 107 TYR HD2 H 1 7.230 . . 3 . . . . 95 TYR HD2 . 16748 1 1105 . 1 1 107 107 TYR HE1 H 1 6.800 . . 3 . . . . 95 TYR HE1 . 16748 1 1106 . 1 1 107 107 TYR HE2 H 1 6.800 . . 3 . . . . 95 TYR HE2 . 16748 1 1107 . 1 1 107 107 TYR C C 13 172.888 . . 1 . . . . 95 TYR C . 16748 1 1108 . 1 1 107 107 TYR CA C 13 55.642 . . 1 . . . . 95 TYR CA . 16748 1 1109 . 1 1 107 107 TYR CB C 13 39.077 . . 1 . . . . 95 TYR CB . 16748 1 1110 . 1 1 107 107 TYR CD1 C 13 133.930 . . 3 . . . . 95 TYR CD1 . 16748 1 1111 . 1 1 107 107 TYR CD2 C 13 133.930 . . 3 . . . . 95 TYR CD2 . 16748 1 1112 . 1 1 107 107 TYR CE1 C 13 118.075 . . 3 . . . . 95 TYR CE1 . 16748 1 1113 . 1 1 107 107 TYR CE2 C 13 118.075 . . 3 . . . . 95 TYR CE2 . 16748 1 1114 . 1 1 107 107 TYR N N 15 124.844 . . 1 . . . . 95 TYR N . 16748 1 1115 . 1 1 108 108 GLN H H 1 7.623 . . 1 . . . . 96 GLN HN . 16748 1 1116 . 1 1 108 108 GLN HA H 1 5.363 . . 1 . . . . 96 GLN HA . 16748 1 1117 . 1 1 108 108 GLN HB2 H 1 2.026 . . 2 . . . . 96 GLN HB1 . 16748 1 1118 . 1 1 108 108 GLN HB3 H 1 1.613 . . 2 . . . . 96 GLN HB2 . 16748 1 1119 . 1 1 108 108 GLN HG2 H 1 2.045 . . 2 . . . . 96 GLN HG1 . 16748 1 1120 . 1 1 108 108 GLN HG3 H 1 2.048 . . 2 . . . . 96 GLN HG2 . 16748 1 1121 . 1 1 108 108 GLN C C 13 172.022 . . 1 . . . . 96 GLN C . 16748 1 1122 . 1 1 108 108 GLN CA C 13 55.734 . . 1 . . . . 96 GLN CA . 16748 1 1123 . 1 1 108 108 GLN CB C 13 32.212 . . 1 . . . . 96 GLN CB . 16748 1 1124 . 1 1 108 108 GLN CG C 13 34.929 . . 1 . . . . 96 GLN CG . 16748 1 1125 . 1 1 108 108 GLN N N 15 123.166 . . 1 . . . . 96 GLN N . 16748 1 1126 . 1 1 109 109 LEU H H 1 9.119 . . 1 . . . . 97 LEU HN . 16748 1 1127 . 1 1 109 109 LEU HA H 1 5.215 . . 1 . . . . 97 LEU HA . 16748 1 1128 . 1 1 109 109 LEU HB2 H 1 1.759 . . 2 . . . . 97 LEU HB1 . 16748 1 1129 . 1 1 109 109 LEU HB3 H 1 1.279 . . 2 . . . . 97 LEU HB2 . 16748 1 1130 . 1 1 109 109 LEU HD11 H 1 0.658 . . 2 . . . . 97 LEU HD11 . 16748 1 1131 . 1 1 109 109 LEU HD12 H 1 0.658 . . 2 . . . . 97 LEU HD11 . 16748 1 1132 . 1 1 109 109 LEU HD13 H 1 0.658 . . 2 . . . . 97 LEU HD11 . 16748 1 1133 . 1 1 109 109 LEU HD21 H 1 0.717 . . 2 . . . . 97 LEU HD21 . 16748 1 1134 . 1 1 109 109 LEU HD22 H 1 0.717 . . 2 . . . . 97 LEU HD21 . 16748 1 1135 . 1 1 109 109 LEU HD23 H 1 0.717 . . 2 . . . . 97 LEU HD21 . 16748 1 1136 . 1 1 109 109 LEU HG H 1 1.360 . . 1 . . . . 97 LEU HG . 16748 1 1137 . 1 1 109 109 LEU C C 13 173.858 . . 1 . . . . 97 LEU C . 16748 1 1138 . 1 1 109 109 LEU CA C 13 52.658 . . 1 . . . . 97 LEU CA . 16748 1 1139 . 1 1 109 109 LEU CB C 13 47.061 . . 1 . . . . 97 LEU CB . 16748 1 1140 . 1 1 109 109 LEU CD1 C 13 25.765 . . 1 . . . . 97 LEU CD1 . 16748 1 1141 . 1 1 109 109 LEU CD2 C 13 24.586 . . 1 . . . . 97 LEU CD2 . 16748 1 1142 . 1 1 109 109 LEU CG C 13 27.661 . . 1 . . . . 97 LEU CG . 16748 1 1143 . 1 1 109 109 LEU N N 15 128.857 . . 1 . . . . 97 LEU N . 16748 1 1144 . 1 1 110 110 GLY H H 1 9.417 . . 1 . . . . 98 GLY HN . 16748 1 1145 . 1 1 110 110 GLY HA2 H 1 5.188 . . 2 . . . . 98 GLY HA1 . 16748 1 1146 . 1 1 110 110 GLY HA3 H 1 3.456 . . 2 . . . . 98 GLY HA2 . 16748 1 1147 . 1 1 110 110 GLY C C 13 172.813 . . 1 . . . . 98 GLY C . 16748 1 1148 . 1 1 110 110 GLY CA C 13 44.026 . . 1 . . . . 98 GLY CA . 16748 1 1149 . 1 1 110 110 GLY N N 15 116.808 . . 1 . . . . 98 GLY N . 16748 1 1150 . 1 1 111 111 MET H H 1 8.606 . . 1 . . . . 99 MET HN . 16748 1 1151 . 1 1 111 111 MET HA H 1 4.808 . . 1 . . . . 99 MET HA . 16748 1 1152 . 1 1 111 111 MET HB2 H 1 2.034 . . 2 . . . . 99 MET HB1 . 16748 1 1153 . 1 1 111 111 MET HB3 H 1 1.533 . . 2 . . . . 99 MET HB2 . 16748 1 1154 . 1 1 111 111 MET HG2 H 1 2.209 . . 2 . . . . 99 MET HG1 . 16748 1 1155 . 1 1 111 111 MET HG3 H 1 2.207 . . 2 . . . . 99 MET HG2 . 16748 1 1156 . 1 1 111 111 MET C C 13 173.455 . . 1 . . . . 99 MET C . 16748 1 1157 . 1 1 111 111 MET CA C 13 55.344 . . 1 . . . . 99 MET CA . 16748 1 1158 . 1 1 111 111 MET CB C 13 37.560 . . 1 . . . . 99 MET CB . 16748 1 1159 . 1 1 111 111 MET CG C 13 31.871 . . 1 . . . . 99 MET CG . 16748 1 1160 . 1 1 111 111 MET N N 15 122.908 . . 1 . . . . 99 MET N . 16748 1 1161 . 1 1 112 112 GLN H H 1 8.364 . . 1 . . . . 100 GLN HN . 16748 1 1162 . 1 1 112 112 GLN HA H 1 5.837 . . 1 . . . . 100 GLN HA . 16748 1 1163 . 1 1 112 112 GLN HB2 H 1 2.015 . . 2 . . . . 100 GLN HB1 . 16748 1 1164 . 1 1 112 112 GLN HB3 H 1 1.796 . . 2 . . . . 100 GLN HB2 . 16748 1 1165 . 1 1 112 112 GLN HG2 H 1 2.236 . . 2 . . . . 100 GLN HG1 . 16748 1 1166 . 1 1 112 112 GLN HG3 H 1 2.236 . . 2 . . . . 100 GLN HG2 . 16748 1 1167 . 1 1 112 112 GLN C C 13 175.529 . . 1 . . . . 100 GLN C . 16748 1 1168 . 1 1 112 112 GLN CA C 13 53.180 . . 1 . . . . 100 GLN CA . 16748 1 1169 . 1 1 112 112 GLN CB C 13 33.929 . . 1 . . . . 100 GLN CB . 16748 1 1170 . 1 1 112 112 GLN CG C 13 34.022 . . 1 . . . . 100 GLN CG . 16748 1 1171 . 1 1 112 112 GLN N N 15 123.871 . . 1 . . . . 100 GLN N . 16748 1 1172 . 1 1 113 113 GLY H H 1 8.369 . . 1 . . . . 101 GLY HN . 16748 1 1173 . 1 1 113 113 GLY HA2 H 1 4.469 . . 2 . . . . 101 GLY HA1 . 16748 1 1174 . 1 1 113 113 GLY HA3 H 1 3.535 . . 2 . . . . 101 GLY HA2 . 16748 1 1175 . 1 1 113 113 GLY C C 13 171.888 . . 1 . . . . 101 GLY C . 16748 1 1176 . 1 1 113 113 GLY CA C 13 45.047 . . 1 . . . . 101 GLY CA . 16748 1 1177 . 1 1 113 113 GLY N N 15 110.482 . . 1 . . . . 101 GLY N . 16748 1 1178 . 1 1 114 114 SER H H 1 9.322 . . 1 . . . . 102 SER HN . 16748 1 1179 . 1 1 114 114 SER HA H 1 5.691 . . 1 . . . . 102 SER HA . 16748 1 1180 . 1 1 114 114 SER HB2 H 1 3.503 . . 2 . . . . 102 SER HB1 . 16748 1 1181 . 1 1 114 114 SER HB3 H 1 3.250 . . 2 . . . . 102 SER HB2 . 16748 1 1182 . 1 1 114 114 SER C C 13 174.037 . . 1 . . . . 102 SER C . 16748 1 1183 . 1 1 114 114 SER CA C 13 58.545 . . 1 . . . . 102 SER CA . 16748 1 1184 . 1 1 114 114 SER CB C 13 65.135 . . 1 . . . . 102 SER CB . 16748 1 1185 . 1 1 114 114 SER N N 15 116.268 . . 1 . . . . 102 SER N . 16748 1 1186 . 1 1 115 115 ILE H H 1 9.555 . . 1 . . . . 103 ILE HN . 16748 1 1187 . 1 1 115 115 ILE HA H 1 4.089 . . 1 . . . . 103 ILE HA . 16748 1 1188 . 1 1 115 115 ILE HB H 1 1.891 . . 1 . . . . 103 ILE HB . 16748 1 1189 . 1 1 115 115 ILE HD11 H 1 0.698 . . 1 . . . . 103 ILE HD11 . 16748 1 1190 . 1 1 115 115 ILE HD12 H 1 0.698 . . 1 . . . . 103 ILE HD11 . 16748 1 1191 . 1 1 115 115 ILE HD13 H 1 0.698 . . 1 . . . . 103 ILE HD11 . 16748 1 1192 . 1 1 115 115 ILE HG12 H 1 0.707 . . 1 . . . . 103 ILE HG11 . 16748 1 1193 . 1 1 115 115 ILE HG13 H 1 0.707 . . 1 . . . . 103 ILE HG12 . 16748 1 1194 . 1 1 115 115 ILE HG21 H 1 0.740 . . 1 . . . . 103 ILE HG21 . 16748 1 1195 . 1 1 115 115 ILE HG22 H 1 0.740 . . 1 . . . . 103 ILE HG21 . 16748 1 1196 . 1 1 115 115 ILE HG23 H 1 0.740 . . 1 . . . . 103 ILE HG21 . 16748 1 1197 . 1 1 115 115 ILE C C 13 177.215 . . 1 . . . . 103 ILE C . 16748 1 1198 . 1 1 115 115 ILE CA C 13 61.239 . . 1 . . . . 103 ILE CA . 16748 1 1199 . 1 1 115 115 ILE CB C 13 39.152 . . 1 . . . . 103 ILE CB . 16748 1 1200 . 1 1 115 115 ILE CD1 C 13 14.605 . . 1 . . . . 103 ILE CD1 . 16748 1 1201 . 1 1 115 115 ILE CG1 C 13 27.761 . . 1 . . . . 103 ILE CG1 . 16748 1 1202 . 1 1 115 115 ILE CG2 C 13 17.962 . . 1 . . . . 103 ILE CG2 . 16748 1 1203 . 1 1 115 115 ILE N N 15 124.716 . . 1 . . . . 103 ILE N . 16748 1 1204 . 1 1 116 116 THR H H 1 6.893 . . 1 . . . . 104 THR HN . 16748 1 1205 . 1 1 116 116 THR HA H 1 5.149 . . 1 . . . . 104 THR HA . 16748 1 1206 . 1 1 116 116 THR HB H 1 4.607 . . 1 . . . . 104 THR HB . 16748 1 1207 . 1 1 116 116 THR HG21 H 1 1.125 . . 1 . . . . 104 THR HG21 . 16748 1 1208 . 1 1 116 116 THR HG22 H 1 1.125 . . 1 . . . . 104 THR HG21 . 16748 1 1209 . 1 1 116 116 THR HG23 H 1 1.125 . . 1 . . . . 104 THR HG21 . 16748 1 1210 . 1 1 116 116 THR C C 13 175.827 . . 1 . . . . 104 THR C . 16748 1 1211 . 1 1 116 116 THR CA C 13 59.896 . . 1 . . . . 104 THR CA . 16748 1 1212 . 1 1 116 116 THR CB C 13 67.880 . . 1 . . . . 104 THR CB . 16748 1 1213 . 1 1 116 116 THR CG2 C 13 22.227 . . 1 . . . . 104 THR CG2 . 16748 1 1214 . 1 1 116 116 THR N N 15 122.787 . . 1 . . . . 104 THR N . 16748 1 1215 . 1 1 117 117 PRO C C 13 175.420 . . 1 . . . . 105 PRO C . 16748 1 1216 . 1 1 117 117 PRO CA C 13 64.980 . . 1 . . . . 105 PRO CA . 16748 1 1217 . 1 1 117 117 PRO CB C 13 31.760 . . 1 . . . . 105 PRO CB . 16748 1 1218 . 1 1 117 117 PRO CD C 13 51.480 . . 1 . . . . 105 PRO CD . 16748 1 1219 . 1 1 117 117 PRO CG C 13 27.690 . . 1 . . . . 105 PRO CG . 16748 1 1220 . 1 1 118 118 ALA H H 1 7.130 . . 1 . . . . 106 ALA HN . 16748 1 1221 . 1 1 118 118 ALA HA H 1 4.120 . . 1 . . . . 106 ALA HA . 16748 1 1222 . 1 1 118 118 ALA HB1 H 1 0.862 . . 1 . . . . 106 ALA HB1 . 16748 1 1223 . 1 1 118 118 ALA HB2 H 1 0.862 . . 1 . . . . 106 ALA HB1 . 16748 1 1224 . 1 1 118 118 ALA HB3 H 1 0.862 . . 1 . . . . 106 ALA HB1 . 16748 1 1225 . 1 1 118 118 ALA C C 13 178.130 . . 1 . . . . 106 ALA C . 16748 1 1226 . 1 1 118 118 ALA CA C 13 52.130 . . 1 . . . . 106 ALA CA . 16748 1 1227 . 1 1 118 118 ALA CB C 13 19.300 . . 1 . . . . 106 ALA CB . 16748 1 1228 . 1 1 118 118 ALA N N 15 115.420 . . 1 . . . . 106 ALA N . 16748 1 1229 . 1 1 119 119 ILE HA H 1 3.819 . . 1 . . . . 107 ILE HA . 16748 1 1230 . 1 1 119 119 ILE HB H 1 1.505 . . 1 . . . . 107 ILE HB . 16748 1 1231 . 1 1 119 119 ILE HD11 H 1 0.950 . . 1 . . . . 107 ILE HD11 . 16748 1 1232 . 1 1 119 119 ILE HD12 H 1 0.950 . . 1 . . . . 107 ILE HD11 . 16748 1 1233 . 1 1 119 119 ILE HD13 H 1 0.950 . . 1 . . . . 107 ILE HD11 . 16748 1 1234 . 1 1 119 119 ILE HG12 H 1 1.777 . . 1 . . . . 107 ILE HG11 . 16748 1 1235 . 1 1 119 119 ILE HG13 H 1 1.194 . . 1 . . . . 107 ILE HG12 . 16748 1 1236 . 1 1 119 119 ILE HG21 H 1 0.227 . . 1 . . . . 107 ILE HG21 . 16748 1 1237 . 1 1 119 119 ILE HG22 H 1 0.227 . . 1 . . . . 107 ILE HG21 . 16748 1 1238 . 1 1 119 119 ILE HG23 H 1 0.227 . . 1 . . . . 107 ILE HG21 . 16748 1 1239 . 1 1 119 119 ILE CA C 13 59.426 . . 1 . . . . 107 ILE CA . 16748 1 1240 . 1 1 119 119 ILE CB C 13 37.500 . . 1 . . . . 107 ILE CB . 16748 1 1241 . 1 1 119 119 ILE CD1 C 13 13.063 . . 1 . . . . 107 ILE CD1 . 16748 1 1242 . 1 1 119 119 ILE CG1 C 13 26.854 . . 1 . . . . 107 ILE CG1 . 16748 1 1243 . 1 1 119 119 ILE CG2 C 13 16.692 . . 1 . . . . 107 ILE CG2 . 16748 1 1244 . 1 1 120 120 PRO C C 13 175.560 . . 1 . . . . 108 PRO C . 16748 1 1245 . 1 1 120 120 PRO CA C 13 57.123 . . 1 . . . . 108 PRO CA . 16748 1 1246 . 1 1 120 120 PRO CB C 13 34.940 . . 1 . . . . 108 PRO CB . 16748 1 1247 . 1 1 121 121 LEU H H 1 8.150 . . 1 . . . . 109 LEU HN . 16748 1 1248 . 1 1 121 121 LEU HA H 1 4.101 . . 1 . . . . 109 LEU HA . 16748 1 1249 . 1 1 121 121 LEU HB2 H 1 1.380 . . 2 . . . . 109 LEU HB1 . 16748 1 1250 . 1 1 121 121 LEU HB3 H 1 1.007 . . 2 . . . . 109 LEU HB2 . 16748 1 1251 . 1 1 121 121 LEU HD11 H 1 0.335 . . 2 . . . . 109 LEU HD11 . 16748 1 1252 . 1 1 121 121 LEU HD12 H 1 0.335 . . 2 . . . . 109 LEU HD11 . 16748 1 1253 . 1 1 121 121 LEU HD13 H 1 0.335 . . 2 . . . . 109 LEU HD11 . 16748 1 1254 . 1 1 121 121 LEU HD21 H 1 -0.031 . . 2 . . . . 109 LEU HD21 . 16748 1 1255 . 1 1 121 121 LEU HD22 H 1 -0.031 . . 2 . . . . 109 LEU HD21 . 16748 1 1256 . 1 1 121 121 LEU HD23 H 1 -0.031 . . 2 . . . . 109 LEU HD21 . 16748 1 1257 . 1 1 121 121 LEU HG H 1 1.174 . . 1 . . . . 109 LEU HG . 16748 1 1258 . 1 1 121 121 LEU CA C 13 54.708 . . 1 . . . . 109 LEU CA . 16748 1 1259 . 1 1 121 121 LEU CB C 13 42.097 . . 1 . . . . 109 LEU CB . 16748 1 1260 . 1 1 121 121 LEU CD1 C 13 24.949 . . 1 . . . . 109 LEU CD1 . 16748 1 1261 . 1 1 121 121 LEU CD2 C 13 21.900 . . 1 . . . . 109 LEU CD2 . 16748 1 1262 . 1 1 121 121 LEU CG C 13 26.337 . . 1 . . . . 109 LEU CG . 16748 1 1263 . 1 1 121 121 LEU N N 15 120.300 . . 1 . . . . 109 LEU N . 16748 1 1264 . 1 1 123 123 PRO HA H 1 4.180 . . 1 . . . . 111 PRO HA . 16748 1 1265 . 1 1 123 123 PRO HB2 H 1 2.320 . . 2 . . . . 111 PRO HB1 . 16748 1 1266 . 1 1 123 123 PRO HB3 H 1 1.860 . . 2 . . . . 111 PRO HB2 . 16748 1 1267 . 1 1 123 123 PRO HD2 H 1 3.657 . . 2 . . . . 111 PRO HD1 . 16748 1 1268 . 1 1 123 123 PRO HD3 H 1 3.559 . . 2 . . . . 111 PRO HD2 . 16748 1 1269 . 1 1 123 123 PRO HG2 H 1 2.198 . . 2 . . . . 111 PRO HG1 . 16748 1 1270 . 1 1 123 123 PRO HG3 H 1 1.789 . . 2 . . . . 111 PRO HG2 . 16748 1 1271 . 1 1 123 123 PRO C C 13 176.760 . . 1 . . . . 111 PRO C . 16748 1 1272 . 1 1 123 123 PRO CA C 13 64.300 . . 1 . . . . 111 PRO CA . 16748 1 1273 . 1 1 123 123 PRO CB C 13 31.700 . . 1 . . . . 111 PRO CB . 16748 1 1274 . 1 1 123 123 PRO CD C 13 50.150 . . 1 . . . . 111 PRO CD . 16748 1 1275 . 1 1 123 123 PRO CG C 13 28.500 . . 1 . . . . 111 PRO CG . 16748 1 1276 . 1 1 124 124 GLY H H 1 8.840 . . 1 . . . . 112 GLY HN . 16748 1 1277 . 1 1 124 124 GLY HA2 H 1 4.490 . . 2 . . . . 112 GLY HA1 . 16748 1 1278 . 1 1 124 124 GLY HA3 H 1 3.874 . . 2 . . . . 112 GLY HA2 . 16748 1 1279 . 1 1 124 124 GLY C C 13 171.000 . . 1 . . . . 112 GLY C . 16748 1 1280 . 1 1 124 124 GLY CA C 13 44.400 . . 1 . . . . 112 GLY CA . 16748 1 1281 . 1 1 124 124 GLY N N 15 113.740 . . 1 . . . . 112 GLY N . 16748 1 1282 . 1 1 125 125 LEU H H 1 8.170 . . 1 . . . . 113 LEU HN . 16748 1 1283 . 1 1 125 125 LEU HA H 1 5.181 . . 1 . . . . 113 LEU HA . 16748 1 1284 . 1 1 125 125 LEU HB2 H 1 1.594 . . 2 . . . . 113 LEU HB1 . 16748 1 1285 . 1 1 125 125 LEU HB3 H 1 1.276 . . 2 . . . . 113 LEU HB2 . 16748 1 1286 . 1 1 125 125 LEU HD11 H 1 0.900 . . 2 . . . . 113 LEU HD11 . 16748 1 1287 . 1 1 125 125 LEU HD12 H 1 0.900 . . 2 . . . . 113 LEU HD11 . 16748 1 1288 . 1 1 125 125 LEU HD13 H 1 0.900 . . 2 . . . . 113 LEU HD11 . 16748 1 1289 . 1 1 125 125 LEU HD21 H 1 0.900 . . 2 . . . . 113 LEU HD21 . 16748 1 1290 . 1 1 125 125 LEU HD22 H 1 0.900 . . 2 . . . . 113 LEU HD21 . 16748 1 1291 . 1 1 125 125 LEU HD23 H 1 0.900 . . 2 . . . . 113 LEU HD21 . 16748 1 1292 . 1 1 125 125 LEU HG H 1 1.693 . . 1 . . . . 113 LEU HG . 16748 1 1293 . 1 1 125 125 LEU C C 13 177.036 . . 1 . . . . 113 LEU C . 16748 1 1294 . 1 1 125 125 LEU CA C 13 54.979 . . 1 . . . . 113 LEU CA . 16748 1 1295 . 1 1 125 125 LEU CB C 13 44.177 . . 1 . . . . 113 LEU CB . 16748 1 1296 . 1 1 125 125 LEU CD1 C 13 25.312 . . 1 . . . . 113 LEU CD1 . 16748 1 1297 . 1 1 125 125 LEU CD2 C 13 25.312 . . 1 . . . . 113 LEU CD2 . 16748 1 1298 . 1 1 125 125 LEU CG C 13 28.224 . . 1 . . . . 113 LEU CG . 16748 1 1299 . 1 1 125 125 LEU N N 15 120.300 . . 1 . . . . 113 LEU N . 16748 1 1300 . 1 1 126 126 TYR H H 1 9.531 . . 1 . . . . 114 TYR HN . 16748 1 1301 . 1 1 126 126 TYR HA H 1 5.095 . . 1 . . . . 114 TYR HA . 16748 1 1302 . 1 1 126 126 TYR HB2 H 1 2.848 . . 2 . . . . 114 TYR HB1 . 16748 1 1303 . 1 1 126 126 TYR HB3 H 1 2.845 . . 2 . . . . 114 TYR HB2 . 16748 1 1304 . 1 1 126 126 TYR HD1 H 1 6.840 . . 3 . . . . 114 TYR HD1 . 16748 1 1305 . 1 1 126 126 TYR HD2 H 1 6.840 . . 3 . . . . 114 TYR HD2 . 16748 1 1306 . 1 1 126 126 TYR HE1 H 1 7.130 . . 3 . . . . 114 TYR HE1 . 16748 1 1307 . 1 1 126 126 TYR HE2 H 1 7.130 . . 3 . . . . 114 TYR HE2 . 16748 1 1308 . 1 1 126 126 TYR C C 13 174.288 . . 1 . . . . 114 TYR C . 16748 1 1309 . 1 1 126 126 TYR CA C 13 56.790 . . 1 . . . . 114 TYR CA . 16748 1 1310 . 1 1 126 126 TYR CB C 13 42.266 . . 1 . . . . 114 TYR CB . 16748 1 1311 . 1 1 126 126 TYR CD1 C 13 132.837 . . 3 . . . . 114 TYR CD1 . 16748 1 1312 . 1 1 126 126 TYR CD2 C 13 132.837 . . 3 . . . . 114 TYR CD2 . 16748 1 1313 . 1 1 126 126 TYR CE1 C 13 118.622 . . 3 . . . . 114 TYR CE1 . 16748 1 1314 . 1 1 126 126 TYR CE2 C 13 118.622 . . 3 . . . . 114 TYR CE2 . 16748 1 1315 . 1 1 126 126 TYR N N 15 124.086 . . 1 . . . . 114 TYR N . 16748 1 1316 . 1 1 127 127 GLU H H 1 9.726 . . 1 . . . . 115 GLU HN . 16748 1 1317 . 1 1 127 127 GLU HA H 1 5.700 . . 1 . . . . 115 GLU HA . 16748 1 1318 . 1 1 127 127 GLU HB2 H 1 1.899 . . 2 . . . . 115 GLU HB1 . 16748 1 1319 . 1 1 127 127 GLU HB3 H 1 1.899 . . 2 . . . . 115 GLU HB2 . 16748 1 1320 . 1 1 127 127 GLU HG2 H 1 2.163 . . 2 . . . . 115 GLU HG1 . 16748 1 1321 . 1 1 127 127 GLU HG3 H 1 2.000 . . 2 . . . . 115 GLU HG2 . 16748 1 1322 . 1 1 127 127 GLU C C 13 175.141 . . 1 . . . . 115 GLU C . 16748 1 1323 . 1 1 127 127 GLU CA C 13 54.127 . . 1 . . . . 115 GLU CA . 16748 1 1324 . 1 1 127 127 GLU CB C 13 34.591 . . 1 . . . . 115 GLU CB . 16748 1 1325 . 1 1 127 127 GLU CG C 13 36.018 . . 1 . . . . 115 GLU CG . 16748 1 1326 . 1 1 127 127 GLU N N 15 118.686 . . 1 . . . . 115 GLU N . 16748 1 1327 . 1 1 128 128 VAL H H 1 8.709 . . 1 . . . . 116 VAL HN . 16748 1 1328 . 1 1 128 128 VAL HA H 1 4.777 . . 1 . . . . 116 VAL HA . 16748 1 1329 . 1 1 128 128 VAL HB H 1 2.095 . . 1 . . . . 116 VAL HB . 16748 1 1330 . 1 1 128 128 VAL HG11 H 1 0.918 . . 2 . . . . 116 VAL HG11 . 16748 1 1331 . 1 1 128 128 VAL HG12 H 1 0.918 . . 2 . . . . 116 VAL HG11 . 16748 1 1332 . 1 1 128 128 VAL HG13 H 1 0.918 . . 2 . . . . 116 VAL HG11 . 16748 1 1333 . 1 1 128 128 VAL HG21 H 1 0.976 . . 2 . . . . 116 VAL HG21 . 16748 1 1334 . 1 1 128 128 VAL HG22 H 1 0.976 . . 2 . . . . 116 VAL HG21 . 16748 1 1335 . 1 1 128 128 VAL HG23 H 1 0.976 . . 2 . . . . 116 VAL HG21 . 16748 1 1336 . 1 1 128 128 VAL C C 13 174.489 . . 1 . . . . 116 VAL C . 16748 1 1337 . 1 1 128 128 VAL CA C 13 61.686 . . 1 . . . . 116 VAL CA . 16748 1 1338 . 1 1 128 128 VAL CB C 13 35.012 . . 1 . . . . 116 VAL CB . 16748 1 1339 . 1 1 128 128 VAL CG1 C 13 20.773 . . 1 . . . . 116 VAL CG1 . 16748 1 1340 . 1 1 128 128 VAL CG2 C 13 22.317 . . 1 . . . . 116 VAL CG2 . 16748 1 1341 . 1 1 128 128 VAL N N 15 121.281 . . 1 . . . . 116 VAL N . 16748 1 1342 . 1 1 129 129 VAL H H 1 8.713 . . 1 . . . . 117 VAL HN . 16748 1 1343 . 1 1 129 129 VAL HA H 1 4.684 . . 1 . . . . 117 VAL HA . 16748 1 1344 . 1 1 129 129 VAL HB H 1 1.751 . . 1 . . . . 117 VAL HB . 16748 1 1345 . 1 1 129 129 VAL HG11 H 1 0.951 . . 2 . . . . 117 VAL HG11 . 16748 1 1346 . 1 1 129 129 VAL HG12 H 1 0.951 . . 2 . . . . 117 VAL HG11 . 16748 1 1347 . 1 1 129 129 VAL HG13 H 1 0.951 . . 2 . . . . 117 VAL HG11 . 16748 1 1348 . 1 1 129 129 VAL HG21 H 1 0.719 . . 2 . . . . 117 VAL HG21 . 16748 1 1349 . 1 1 129 129 VAL HG22 H 1 0.719 . . 2 . . . . 117 VAL HG21 . 16748 1 1350 . 1 1 129 129 VAL HG23 H 1 0.719 . . 2 . . . . 117 VAL HG21 . 16748 1 1351 . 1 1 129 129 VAL C C 13 174.231 . . 1 . . . . 117 VAL C . 16748 1 1352 . 1 1 129 129 VAL CA C 13 61.686 . . 1 . . . . 117 VAL CA . 16748 1 1353 . 1 1 129 129 VAL CB C 13 34.376 . . 1 . . . . 117 VAL CB . 16748 1 1354 . 1 1 129 129 VAL CG1 C 13 21.319 . . 1 . . . . 117 VAL CG1 . 16748 1 1355 . 1 1 129 129 VAL CG2 C 13 21.319 . . 1 . . . . 117 VAL CG2 . 16748 1 1356 . 1 1 129 129 VAL N N 15 128.334 . . 1 . . . . 117 VAL N . 16748 1 1357 . 1 1 130 130 LEU H H 1 8.803 . . 1 . . . . 118 LEU HN . 16748 1 1358 . 1 1 130 130 LEU HA H 1 4.338 . . 1 . . . . 118 LEU HA . 16748 1 1359 . 1 1 130 130 LEU HB2 H 1 1.220 . . 2 . . . . 118 LEU HB1 . 16748 1 1360 . 1 1 130 130 LEU HB3 H 1 1.220 . . 2 . . . . 118 LEU HB2 . 16748 1 1361 . 1 1 130 130 LEU HD11 H 1 0.571 . . 2 . . . . 118 LEU HD11 . 16748 1 1362 . 1 1 130 130 LEU HD12 H 1 0.571 . . 2 . . . . 118 LEU HD11 . 16748 1 1363 . 1 1 130 130 LEU HD13 H 1 0.571 . . 2 . . . . 118 LEU HD11 . 16748 1 1364 . 1 1 130 130 LEU HD21 H 1 0.570 . . 2 . . . . 118 LEU HD21 . 16748 1 1365 . 1 1 130 130 LEU HD22 H 1 0.570 . . 2 . . . . 118 LEU HD21 . 16748 1 1366 . 1 1 130 130 LEU HD23 H 1 0.570 . . 2 . . . . 118 LEU HD21 . 16748 1 1367 . 1 1 130 130 LEU HG H 1 0.535 . . 1 . . . . 118 LEU HG . 16748 1 1368 . 1 1 130 130 LEU C C 13 173.246 . . 1 . . . . 118 LEU C . 16748 1 1369 . 1 1 130 130 LEU CA C 13 53.255 . . 1 . . . . 118 LEU CA . 16748 1 1370 . 1 1 130 130 LEU CB C 13 45.817 . . 1 . . . . 118 LEU CB . 16748 1 1371 . 1 1 130 130 LEU CD1 C 13 23.769 . . 1 . . . . 118 LEU CD1 . 16748 1 1372 . 1 1 130 130 LEU CD2 C 13 24.369 . . 1 . . . . 118 LEU CD2 . 16748 1 1373 . 1 1 130 130 LEU CG C 13 26.763 . . 1 . . . . 118 LEU CG . 16748 1 1374 . 1 1 130 130 LEU N N 15 128.290 . . 1 . . . . 118 LEU N . 16748 1 1375 . 1 1 131 131 ASN H H 1 7.885 . . 1 . . . . 119 ASN HN . 16748 1 1376 . 1 1 131 131 ASN HA H 1 4.984 . . 1 . . . . 119 ASN HA . 16748 1 1377 . 1 1 131 131 ASN HB2 H 1 1.086 . . 2 . . . . 119 ASN HB1 . 16748 1 1378 . 1 1 131 131 ASN HB3 H 1 0.485 . . 2 . . . . 119 ASN HB2 . 16748 1 1379 . 1 1 131 131 ASN C C 13 173.186 . . 1 . . . . 119 ASN C . 16748 1 1380 . 1 1 131 131 ASN CA C 13 51.258 . . 1 . . . . 119 ASN CA . 16748 1 1381 . 1 1 131 131 ASN CB C 13 41.316 . . 1 . . . . 119 ASN CB . 16748 1 1382 . 1 1 131 131 ASN N N 15 124.030 . . 1 . . . . 119 ASN N . 16748 1 1383 . 1 1 132 132 ALA H H 1 8.595 . . 1 . . . . 120 ALA HN . 16748 1 1384 . 1 1 132 132 ALA HA H 1 5.362 . . 1 . . . . 120 ALA HA . 16748 1 1385 . 1 1 132 132 ALA HB1 H 1 1.157 . . 1 . . . . 120 ALA HB1 . 16748 1 1386 . 1 1 132 132 ALA HB2 H 1 1.157 . . 1 . . . . 120 ALA HB1 . 16748 1 1387 . 1 1 132 132 ALA HB3 H 1 1.157 . . 1 . . . . 120 ALA HB1 . 16748 1 1388 . 1 1 132 132 ALA C C 13 174.708 . . 1 . . . . 120 ALA C . 16748 1 1389 . 1 1 132 132 ALA CA C 13 51.538 . . 1 . . . . 120 ALA CA . 16748 1 1390 . 1 1 132 132 ALA CB C 13 23.930 . . 1 . . . . 120 ALA CB . 16748 1 1391 . 1 1 132 132 ALA N N 15 120.041 . . 1 . . . . 120 ALA N . 16748 1 1392 . 1 1 133 133 GLU H H 1 9.438 . . 1 . . . . 121 GLU HN . 16748 1 1393 . 1 1 133 133 GLU HA H 1 4.992 . . 1 . . . . 121 GLU HA . 16748 1 1394 . 1 1 133 133 GLU HB2 H 1 2.126 . . 2 . . . . 121 GLU HB1 . 16748 1 1395 . 1 1 133 133 GLU HB3 H 1 2.126 . . 2 . . . . 121 GLU HB2 . 16748 1 1396 . 1 1 133 133 GLU HG2 H 1 2.368 . . 2 . . . . 121 GLU HG1 . 16748 1 1397 . 1 1 133 133 GLU HG3 H 1 2.269 . . 2 . . . . 121 GLU HG2 . 16748 1 1398 . 1 1 133 133 GLU C C 13 173.693 . . 1 . . . . 121 GLU C . 16748 1 1399 . 1 1 133 133 GLU CA C 13 54.282 . . 1 . . . . 121 GLU CA . 16748 1 1400 . 1 1 133 133 GLU CB C 13 34.838 . . 1 . . . . 121 GLU CB . 16748 1 1401 . 1 1 133 133 GLU CG C 13 35.501 . . 1 . . . . 121 GLU CG . 16748 1 1402 . 1 1 133 133 GLU N N 15 117.993 . . 1 . . . . 121 GLU N . 16748 1 1403 . 1 1 134 134 LEU H H 1 8.469 . . 1 . . . . 122 LEU HN . 16748 1 1404 . 1 1 134 134 LEU HA H 1 5.203 . . 1 . . . . 122 LEU HA . 16748 1 1405 . 1 1 134 134 LEU HB2 H 1 1.596 . . 2 . . . . 122 LEU HB1 . 16748 1 1406 . 1 1 134 134 LEU HB3 H 1 1.425 . . 2 . . . . 122 LEU HB2 . 16748 1 1407 . 1 1 134 134 LEU HD11 H 1 0.651 . . 2 . . . . 122 LEU HD11 . 16748 1 1408 . 1 1 134 134 LEU HD12 H 1 0.651 . . 2 . . . . 122 LEU HD11 . 16748 1 1409 . 1 1 134 134 LEU HD13 H 1 0.651 . . 2 . . . . 122 LEU HD11 . 16748 1 1410 . 1 1 134 134 LEU HD21 H 1 0.711 . . 2 . . . . 122 LEU HD21 . 16748 1 1411 . 1 1 134 134 LEU HD22 H 1 0.711 . . 2 . . . . 122 LEU HD21 . 16748 1 1412 . 1 1 134 134 LEU HD23 H 1 0.711 . . 2 . . . . 122 LEU HD21 . 16748 1 1413 . 1 1 134 134 LEU HG H 1 1.420 . . 1 . . . . 122 LEU HG . 16748 1 1414 . 1 1 134 134 LEU C C 13 176.648 . . 1 . . . . 122 LEU C . 16748 1 1415 . 1 1 134 134 LEU CA C 13 53.552 . . 1 . . . . 122 LEU CA . 16748 1 1416 . 1 1 134 134 LEU CB C 13 44.204 . . 1 . . . . 122 LEU CB . 16748 1 1417 . 1 1 134 134 LEU CD1 C 13 25.493 . . 1 . . . . 122 LEU CD1 . 16748 1 1418 . 1 1 134 134 LEU CD2 C 13 23.860 . . 1 . . . . 122 LEU CD2 . 16748 1 1419 . 1 1 134 134 LEU CG C 13 27.217 . . 1 . . . . 122 LEU CG . 16748 1 1420 . 1 1 134 134 LEU N N 15 122.491 . . 1 . . . . 122 LEU N . 16748 1 1421 . 1 1 135 135 VAL H H 1 9.153 . . 1 . . . . 123 VAL HN . 16748 1 1422 . 1 1 135 135 VAL HA H 1 4.828 . . 1 . . . . 123 VAL HA . 16748 1 1423 . 1 1 135 135 VAL HB H 1 2.056 . . 1 . . . . 123 VAL HB . 16748 1 1424 . 1 1 135 135 VAL HG11 H 1 0.887 . . 2 . . . . 123 VAL HG11 . 16748 1 1425 . 1 1 135 135 VAL HG12 H 1 0.887 . . 2 . . . . 123 VAL HG11 . 16748 1 1426 . 1 1 135 135 VAL HG13 H 1 0.887 . . 2 . . . . 123 VAL HG11 . 16748 1 1427 . 1 1 135 135 VAL HG21 H 1 0.800 . . 2 . . . . 123 VAL HG21 . 16748 1 1428 . 1 1 135 135 VAL HG22 H 1 0.800 . . 2 . . . . 123 VAL HG21 . 16748 1 1429 . 1 1 135 135 VAL HG23 H 1 0.800 . . 2 . . . . 123 VAL HG21 . 16748 1 1430 . 1 1 135 135 VAL C C 13 175.723 . . 1 . . . . 123 VAL C . 16748 1 1431 . 1 1 135 135 VAL CA C 13 59.821 . . 1 . . . . 123 VAL CA . 16748 1 1432 . 1 1 135 135 VAL CB C 13 34.824 . . 1 . . . . 123 VAL CB . 16748 1 1433 . 1 1 135 135 VAL CG1 C 13 21.955 . . 1 . . . . 123 VAL CG1 . 16748 1 1434 . 1 1 135 135 VAL CG2 C 13 20.321 . . 1 . . . . 123 VAL CG2 . 16748 1 1435 . 1 1 135 135 VAL N N 15 121.424 . . 1 . . . . 123 VAL N . 16748 1 1436 . 1 1 136 136 THR H H 1 8.521 . . 1 . . . . 124 THR HN . 16748 1 1437 . 1 1 136 136 THR HA H 1 4.694 . . 1 . . . . 124 THR HA . 16748 1 1438 . 1 1 136 136 THR HB H 1 4.436 . . 1 . . . . 124 THR HB . 16748 1 1439 . 1 1 136 136 THR HG21 H 1 1.223 . . 1 . . . . 124 THR HG21 . 16748 1 1440 . 1 1 136 136 THR HG22 H 1 1.223 . . 1 . . . . 124 THR HG21 . 16748 1 1441 . 1 1 136 136 THR HG23 H 1 1.223 . . 1 . . . . 124 THR HG21 . 16748 1 1442 . 1 1 136 136 THR C C 13 174.660 . . 1 . . . . 124 THR C . 16748 1 1443 . 1 1 136 136 THR CA C 13 60.493 . . 1 . . . . 124 THR CA . 16748 1 1444 . 1 1 136 136 THR CB C 13 70.566 . . 1 . . . . 124 THR CB . 16748 1 1445 . 1 1 136 136 THR CG2 C 13 21.682 . . 1 . . . . 124 THR CG2 . 16748 1 1446 . 1 1 136 136 THR N N 15 115.054 . . 1 . . . . 124 THR N . 16748 1 1447 . 1 1 137 137 ASN H H 1 8.560 . . 1 . . . . 125 ASN HN . 16748 1 1448 . 1 1 137 137 ASN HA H 1 4.700 . . 1 . . . . 125 ASN HA . 16748 1 1449 . 1 1 137 137 ASN HB2 H 1 2.928 . . 2 . . . . 125 ASN HB1 . 16748 1 1450 . 1 1 137 137 ASN HB3 H 1 2.869 . . 2 . . . . 125 ASN HB2 . 16748 1 1451 . 1 1 137 137 ASN C C 13 174.977 . . 1 . . . . 125 ASN C . 16748 1 1452 . 1 1 137 137 ASN CA C 13 54.075 . . 1 . . . . 125 ASN CA . 16748 1 1453 . 1 1 137 137 ASN CB C 13 38.928 . . 1 . . . . 125 ASN CB . 16748 1 1454 . 1 1 137 137 ASN N N 15 119.819 . . 1 . . . . 125 ASN N . 16748 1 1455 . 1 1 138 138 ASP H H 1 8.134 . . 1 . . . . 126 ASP HN . 16748 1 1456 . 1 1 138 138 ASP HA H 1 4.625 . . 1 . . . . 126 ASP HA . 16748 1 1457 . 1 1 138 138 ASP HB2 H 1 2.693 . . 2 . . . . 126 ASP HB1 . 16748 1 1458 . 1 1 138 138 ASP HB3 H 1 2.693 . . 2 . . . . 126 ASP HB2 . 16748 1 1459 . 1 1 138 138 ASP C C 13 175.812 . . 1 . . . . 126 ASP C . 16748 1 1460 . 1 1 138 138 ASP CA C 13 53.702 . . 1 . . . . 126 ASP CA . 16748 1 1461 . 1 1 138 138 ASP CB C 13 41.241 . . 1 . . . . 126 ASP CB . 16748 1 1462 . 1 1 138 138 ASP N N 15 119.466 . . 1 . . . . 126 ASP N . 16748 1 1463 . 1 1 139 139 ASN H H 1 8.471 . . 1 . . . . 127 ASN HN . 16748 1 1464 . 1 1 139 139 ASN HA H 1 4.514 . . 1 . . . . 127 ASN HA . 16748 1 1465 . 1 1 139 139 ASN HB2 H 1 2.918 . . 2 . . . . 127 ASN HB1 . 16748 1 1466 . 1 1 139 139 ASN HB3 H 1 2.732 . . 2 . . . . 127 ASN HB2 . 16748 1 1467 . 1 1 139 139 ASN CA C 13 53.892 . . 1 . . . . 127 ASN CA . 16748 1 1468 . 1 1 139 139 ASN CB C 13 38.256 . . 1 . . . . 127 ASN CB . 16748 1 1469 . 1 1 139 139 ASN N N 15 120.456 . . 1 . . . . 127 ASN N . 16748 1 1470 . 1 1 140 140 LYS H H 1 8.165 . . 1 . . . . 128 LYS HN . 16748 1 1471 . 1 1 140 140 LYS HA H 1 4.260 . . 1 . . . . 128 LYS HA . 16748 1 1472 . 1 1 140 140 LYS HB2 H 1 1.813 . . 2 . . . . 128 LYS HB1 . 16748 1 1473 . 1 1 140 140 LYS HB3 H 1 1.813 . . 2 . . . . 128 LYS HB2 . 16748 1 1474 . 1 1 140 140 LYS HD2 H 1 1.683 . . 2 . . . . 128 LYS HD1 . 16748 1 1475 . 1 1 140 140 LYS HD3 H 1 1.683 . . 2 . . . . 128 LYS HD2 . 16748 1 1476 . 1 1 140 140 LYS HE2 H 1 2.996 . . 2 . . . . 128 LYS HE1 . 16748 1 1477 . 1 1 140 140 LYS HE3 H 1 2.996 . . 2 . . . . 128 LYS HE2 . 16748 1 1478 . 1 1 140 140 LYS HG2 H 1 1.406 . . 2 . . . . 128 LYS HG1 . 16748 1 1479 . 1 1 140 140 LYS HG3 H 1 1.409 . . 2 . . . . 128 LYS HG2 . 16748 1 1480 . 1 1 140 140 LYS C C 13 177.053 . . 1 . . . . 128 LYS C . 16748 1 1481 . 1 1 140 140 LYS CA C 13 56.790 . . 1 . . . . 128 LYS CA . 16748 1 1482 . 1 1 140 140 LYS CB C 13 32.586 . . 1 . . . . 128 LYS CB . 16748 1 1483 . 1 1 140 140 LYS CD C 13 28.941 . . 1 . . . . 128 LYS CD . 16748 1 1484 . 1 1 140 140 LYS CE C 13 41.915 . . 1 . . . . 128 LYS CE . 16748 1 1485 . 1 1 140 140 LYS CG C 13 25.221 . . 1 . . . . 128 LYS CG . 16748 1 1486 . 1 1 140 140 LYS N N 15 120.303 . . 1 . . . . 128 LYS N . 16748 1 1487 . 1 1 141 141 GLN H H 1 8.074 . . 1 . . . . 129 GLN HN . 16748 1 1488 . 1 1 141 141 GLN HA H 1 4.300 . . 1 . . . . 129 GLN HA . 16748 1 1489 . 1 1 141 141 GLN HB2 H 1 2.107 . . 2 . . . . 129 GLN HB1 . 16748 1 1490 . 1 1 141 141 GLN HB3 H 1 2.000 . . 2 . . . . 129 GLN HB2 . 16748 1 1491 . 1 1 141 141 GLN HE21 H 1 7.730 . . 2 . . . . 129 GLN HE21 . 16748 1 1492 . 1 1 141 141 GLN HE22 H 1 6.700 . . 2 . . . . 129 GLN HE22 . 16748 1 1493 . 1 1 141 141 GLN HG2 H 1 2.330 . . 2 . . . . 129 GLN HG1 . 16748 1 1494 . 1 1 141 141 GLN HG3 H 1 2.140 . . 2 . . . . 129 GLN HG2 . 16748 1 1495 . 1 1 141 141 GLN C C 13 175.950 . . 1 . . . . 129 GLN C . 16748 1 1496 . 1 1 141 141 GLN CA C 13 56.260 . . 1 . . . . 129 GLN CA . 16748 1 1497 . 1 1 141 141 GLN CB C 13 29.240 . . 1 . . . . 129 GLN CB . 16748 1 1498 . 1 1 141 141 GLN CG C 13 33.970 . . 1 . . . . 129 GLN CG . 16748 1 1499 . 1 1 141 141 GLN N N 15 120.020 . . 1 . . . . 129 GLN N . 16748 1 1500 . 1 1 141 141 GLN NE2 N 15 112.200 . . 1 . . . . 129 GLN NE2 . 16748 1 1501 . 1 1 142 142 ASN H H 1 8.312 . . 1 . . . . 130 ASN HN . 16748 1 1502 . 1 1 142 142 ASN HA H 1 4.708 . . 1 . . . . 130 ASN HA . 16748 1 1503 . 1 1 142 142 ASN HB2 H 1 2.820 . . 2 . . . . 130 ASN HB1 . 16748 1 1504 . 1 1 142 142 ASN HB3 H 1 2.729 . . 2 . . . . 130 ASN HB2 . 16748 1 1505 . 1 1 142 142 ASN C C 13 175.275 . . 1 . . . . 130 ASN C . 16748 1 1506 . 1 1 142 142 ASN CA C 13 53.553 . . 1 . . . . 130 ASN CA . 16748 1 1507 . 1 1 142 142 ASN CB C 13 38.779 . . 1 . . . . 130 ASN CB . 16748 1 1508 . 1 1 142 142 ASN N N 15 119.938 . . 1 . . . . 130 ASN N . 16748 1 1509 . 1 1 143 143 ALA H H 1 8.162 . . 1 . . . . 131 ALA HN . 16748 1 1510 . 1 1 143 143 ALA HA H 1 4.407 . . 1 . . . . 131 ALA HA . 16748 1 1511 . 1 1 143 143 ALA HB1 H 1 1.417 . . 1 . . . . 131 ALA HB1 . 16748 1 1512 . 1 1 143 143 ALA HB2 H 1 1.417 . . 1 . . . . 131 ALA HB1 . 16748 1 1513 . 1 1 143 143 ALA HB3 H 1 1.417 . . 1 . . . . 131 ALA HB1 . 16748 1 1514 . 1 1 143 143 ALA C C 13 177.916 . . 1 . . . . 131 ALA C . 16748 1 1515 . 1 1 143 143 ALA CA C 13 53.105 . . 1 . . . . 131 ALA CA . 16748 1 1516 . 1 1 143 143 ALA CB C 13 19.677 . . 1 . . . . 131 ALA CB . 16748 1 1517 . 1 1 143 143 ALA N N 15 124.753 . . 1 . . . . 131 ALA N . 16748 1 1518 . 1 1 144 144 THR H H 1 7.975 . . 1 . . . . 132 THR HN . 16748 1 1519 . 1 1 144 144 THR HA H 1 4.323 . . 1 . . . . 132 THR HA . 16748 1 1520 . 1 1 144 144 THR HB H 1 4.355 . . 1 . . . . 132 THR HB . 16748 1 1521 . 1 1 144 144 THR HG21 H 1 1.069 . . 1 . . . . 132 THR HG21 . 16748 1 1522 . 1 1 144 144 THR HG22 H 1 1.069 . . 1 . . . . 132 THR HG21 . 16748 1 1523 . 1 1 144 144 THR HG23 H 1 1.069 . . 1 . . . . 132 THR HG21 . 16748 1 1524 . 1 1 144 144 THR C C 13 174.126 . . 1 . . . . 132 THR C . 16748 1 1525 . 1 1 144 144 THR CA C 13 61.761 . . 1 . . . . 132 THR CA . 16748 1 1526 . 1 1 144 144 THR CB C 13 69.670 . . 1 . . . . 132 THR CB . 16748 1 1527 . 1 1 144 144 THR CG2 C 13 22.045 . . 1 . . . . 132 THR CG2 . 16748 1 1528 . 1 1 144 144 THR N N 15 112.006 . . 1 . . . . 132 THR N . 16748 1 1529 . 1 1 145 145 ALA H H 1 8.016 . . 1 . . . . 133 ALA HN . 16748 1 1530 . 1 1 145 145 ALA HA H 1 4.475 . . 1 . . . . 133 ALA HA . 16748 1 1531 . 1 1 145 145 ALA HB1 H 1 1.429 . . 1 . . . . 133 ALA HB1 . 16748 1 1532 . 1 1 145 145 ALA HB2 H 1 1.429 . . 1 . . . . 133 ALA HB1 . 16748 1 1533 . 1 1 145 145 ALA HB3 H 1 1.429 . . 1 . . . . 133 ALA HB1 . 16748 1 1534 . 1 1 145 145 ALA C C 13 176.931 . . 1 . . . . 133 ALA C . 16748 1 1535 . 1 1 145 145 ALA CA C 13 52.732 . . 1 . . . . 133 ALA CA . 16748 1 1536 . 1 1 145 145 ALA CB C 13 20.124 . . 1 . . . . 133 ALA CB . 16748 1 1537 . 1 1 145 145 ALA N N 15 127.748 . . 1 . . . . 133 ALA N . 16748 1 1538 . 1 1 146 146 VAL H H 1 8.094 . . 1 . . . . 134 VAL HN . 16748 1 1539 . 1 1 146 146 VAL HA H 1 4.303 . . 1 . . . . 134 VAL HA . 16748 1 1540 . 1 1 146 146 VAL HB H 1 2.139 . . 1 . . . . 134 VAL HB . 16748 1 1541 . 1 1 146 146 VAL HG11 H 1 1.053 . . 2 . . . . 134 VAL HG11 . 16748 1 1542 . 1 1 146 146 VAL HG12 H 1 1.053 . . 2 . . . . 134 VAL HG11 . 16748 1 1543 . 1 1 146 146 VAL HG13 H 1 1.053 . . 2 . . . . 134 VAL HG11 . 16748 1 1544 . 1 1 146 146 VAL HG21 H 1 1.041 . . 2 . . . . 134 VAL HG21 . 16748 1 1545 . 1 1 146 146 VAL HG22 H 1 1.041 . . 2 . . . . 134 VAL HG21 . 16748 1 1546 . 1 1 146 146 VAL HG23 H 1 1.041 . . 2 . . . . 134 VAL HG21 . 16748 1 1547 . 1 1 146 146 VAL C C 13 174.783 . . 1 . . . . 134 VAL C . 16748 1 1548 . 1 1 146 146 VAL CA C 13 61.241 . . 1 . . . . 134 VAL CA . 16748 1 1549 . 1 1 146 146 VAL CB C 13 33.854 . . 1 . . . . 134 VAL CB . 16748 1 1550 . 1 1 146 146 VAL CG1 C 13 21.319 . . 1 . . . . 134 VAL CG1 . 16748 1 1551 . 1 1 146 146 VAL CG2 C 13 21.319 . . 1 . . . . 134 VAL CG2 . 16748 1 1552 . 1 1 146 146 VAL N N 15 120.203 . . 1 . . . . 134 VAL N . 16748 1 1553 . 1 1 147 147 ALA H H 1 8.428 . . 1 . . . . 135 ALA HN . 16748 1 1554 . 1 1 147 147 ALA HA H 1 4.799 . . 1 . . . . 135 ALA HA . 16748 1 1555 . 1 1 147 147 ALA HB1 H 1 1.430 . . 1 . . . . 135 ALA HB1 . 16748 1 1556 . 1 1 147 147 ALA HB2 H 1 1.430 . . 1 . . . . 135 ALA HB1 . 16748 1 1557 . 1 1 147 147 ALA HB3 H 1 1.430 . . 1 . . . . 135 ALA HB1 . 16748 1 1558 . 1 1 147 147 ALA C C 13 177.230 . . 1 . . . . 135 ALA C . 16748 1 1559 . 1 1 147 147 ALA CA C 13 52.658 . . 1 . . . . 135 ALA CA . 16748 1 1560 . 1 1 147 147 ALA CB C 13 20.199 . . 1 . . . . 135 ALA CB . 16748 1 1561 . 1 1 147 147 ALA N N 15 129.524 . . 1 . . . . 135 ALA N . 16748 1 1562 . 1 1 148 148 LYS H H 1 8.984 . . 1 . . . . 136 LYS HN . 16748 1 1563 . 1 1 148 148 LYS HA H 1 4.730 . . 1 . . . . 136 LYS HA . 16748 1 1564 . 1 1 148 148 LYS HB2 H 1 1.871 . . 2 . . . . 136 LYS HB1 . 16748 1 1565 . 1 1 148 148 LYS HB3 H 1 1.562 . . 2 . . . . 136 LYS HB2 . 16748 1 1566 . 1 1 148 148 LYS HD2 H 1 1.654 . . 2 . . . . 136 LYS HD1 . 16748 1 1567 . 1 1 148 148 LYS HD3 H 1 1.654 . . 2 . . . . 136 LYS HD2 . 16748 1 1568 . 1 1 148 148 LYS HE2 H 1 3.222 . . 2 . . . . 136 LYS HE1 . 16748 1 1569 . 1 1 148 148 LYS HE3 H 1 3.222 . . 2 . . . . 136 LYS HE2 . 16748 1 1570 . 1 1 148 148 LYS HG2 H 1 1.517 . . 2 . . . . 136 LYS HG1 . 16748 1 1571 . 1 1 148 148 LYS HG3 H 1 1.518 . . 2 . . . . 136 LYS HG2 . 16748 1 1572 . 1 1 148 148 LYS C C 13 174.812 . . 1 . . . . 136 LYS C . 16748 1 1573 . 1 1 148 148 LYS CA C 13 55.169 . . 1 . . . . 136 LYS CA . 16748 1 1574 . 1 1 148 148 LYS CB C 13 37.269 . . 1 . . . . 136 LYS CB . 16748 1 1575 . 1 1 148 148 LYS CD C 13 29.467 . . 1 . . . . 136 LYS CD . 16748 1 1576 . 1 1 148 148 LYS CE C 13 42.580 . . 1 . . . . 136 LYS CE . 16748 1 1577 . 1 1 148 148 LYS CG C 13 25.947 . . 1 . . . . 136 LYS CG . 16748 1 1578 . 1 1 148 148 LYS N N 15 122.292 . . 1 . . . . 136 LYS N . 16748 1 1579 . 1 1 149 149 THR H H 1 8.167 . . 1 . . . . 137 THR HN . 16748 1 1580 . 1 1 149 149 THR HA H 1 5.142 . . 1 . . . . 137 THR HA . 16748 1 1581 . 1 1 149 149 THR HB H 1 3.770 . . 1 . . . . 137 THR HB . 16748 1 1582 . 1 1 149 149 THR HG21 H 1 1.040 . . 1 . . . . 137 THR HG21 . 16748 1 1583 . 1 1 149 149 THR HG22 H 1 1.040 . . 1 . . . . 137 THR HG21 . 16748 1 1584 . 1 1 149 149 THR HG23 H 1 1.040 . . 1 . . . . 137 THR HG21 . 16748 1 1585 . 1 1 149 149 THR C C 13 173.514 . . 1 . . . . 137 THR C . 16748 1 1586 . 1 1 149 149 THR CA C 13 60.493 . . 1 . . . . 137 THR CA . 16748 1 1587 . 1 1 149 149 THR CB C 13 72.058 . . 1 . . . . 137 THR CB . 16748 1 1588 . 1 1 149 149 THR CG2 C 13 21.864 . . 1 . . . . 137 THR CG2 . 16748 1 1589 . 1 1 149 149 THR N N 15 115.188 . . 1 . . . . 137 THR N . 16748 1 1590 . 1 1 150 150 ALA H H 1 9.020 . . 1 . . . . 138 ALA HN . 16748 1 1591 . 1 1 150 150 ALA HA H 1 4.840 . . 1 . . . . 138 ALA HA . 16748 1 1592 . 1 1 150 150 ALA HB1 H 1 1.421 . . 1 . . . . 138 ALA HB1 . 16748 1 1593 . 1 1 150 150 ALA HB2 H 1 1.421 . . 1 . . . . 138 ALA HB1 . 16748 1 1594 . 1 1 150 150 ALA HB3 H 1 1.421 . . 1 . . . . 138 ALA HB1 . 16748 1 1595 . 1 1 150 150 ALA C C 13 174.947 . . 1 . . . . 138 ALA C . 16748 1 1596 . 1 1 150 150 ALA CA C 13 51.165 . . 1 . . . . 138 ALA CA . 16748 1 1597 . 1 1 150 150 ALA CB C 13 23.631 . . 1 . . . . 138 ALA CB . 16748 1 1598 . 1 1 150 150 ALA N N 15 128.150 . . 1 . . . . 138 ALA N . 16748 1 1599 . 1 1 151 151 THR H H 1 8.519 . . 1 . . . . 139 THR HN . 16748 1 1600 . 1 1 151 151 THR HA H 1 5.374 . . 1 . . . . 139 THR HA . 16748 1 1601 . 1 1 151 151 THR HB H 1 3.911 . . 1 . . . . 139 THR HB . 16748 1 1602 . 1 1 151 151 THR HG21 H 1 1.115 . . 1 . . . . 139 THR HG21 . 16748 1 1603 . 1 1 151 151 THR HG22 H 1 1.115 . . 1 . . . . 139 THR HG21 . 16748 1 1604 . 1 1 151 151 THR HG23 H 1 1.115 . . 1 . . . . 139 THR HG21 . 16748 1 1605 . 1 1 151 151 THR C C 13 174.201 . . 1 . . . . 139 THR C . 16748 1 1606 . 1 1 151 151 THR CA C 13 61.537 . . 1 . . . . 139 THR CA . 16748 1 1607 . 1 1 151 151 THR CB C 13 71.834 . . 1 . . . . 139 THR CB . 16748 1 1608 . 1 1 151 151 THR CG2 C 13 22.327 . . 1 . . . . 139 THR CG2 . 16748 1 1609 . 1 1 151 151 THR N N 15 116.240 . . 1 . . . . 139 THR N . 16748 1 1610 . 1 1 152 152 SER H H 1 9.067 . . 1 . . . . 140 SER HN . 16748 1 1611 . 1 1 152 152 SER HA H 1 4.894 . . 1 . . . . 140 SER HA . 16748 1 1612 . 1 1 152 152 SER HB2 H 1 3.689 . . 2 . . . . 140 SER HB1 . 16748 1 1613 . 1 1 152 152 SER HB3 H 1 3.596 . . 2 . . . . 140 SER HB2 . 16748 1 1614 . 1 1 152 152 SER C C 13 173.514 . . 1 . . . . 140 SER C . 16748 1 1615 . 1 1 152 152 SER CA C 13 58.502 . . 1 . . . . 140 SER CA . 16748 1 1616 . 1 1 152 152 SER CB C 13 64.944 . . 1 . . . . 140 SER CB . 16748 1 1617 . 1 1 152 152 SER N N 15 123.929 . . 1 . . . . 140 SER N . 16748 1 1618 . 1 1 153 153 THR H H 1 8.568 . . 1 . . . . 141 THR HN . 16748 1 1619 . 1 1 153 153 THR HA H 1 5.114 . . 1 . . . . 141 THR HA . 16748 1 1620 . 1 1 153 153 THR HB H 1 3.892 . . 1 . . . . 141 THR HB . 16748 1 1621 . 1 1 153 153 THR HG21 H 1 1.221 . . 1 . . . . 141 THR HG21 . 16748 1 1622 . 1 1 153 153 THR HG22 H 1 1.221 . . 1 . . . . 141 THR HG21 . 16748 1 1623 . 1 1 153 153 THR HG23 H 1 1.221 . . 1 . . . . 141 THR HG21 . 16748 1 1624 . 1 1 153 153 THR C C 13 173.843 . . 1 . . . . 141 THR C . 16748 1 1625 . 1 1 153 153 THR CA C 13 62.209 . . 1 . . . . 141 THR CA . 16748 1 1626 . 1 1 153 153 THR CB C 13 69.969 . . 1 . . . . 141 THR CB . 16748 1 1627 . 1 1 153 153 THR CG2 C 13 21.501 . . 1 . . . . 141 THR CG2 . 16748 1 1628 . 1 1 153 153 THR N N 15 122.549 . . 1 . . . . 141 THR N . 16748 1 1629 . 1 1 154 154 ILE H H 1 9.181 . . 1 . . . . 142 ILE HN . 16748 1 1630 . 1 1 154 154 ILE HA H 1 4.940 . . 1 . . . . 142 ILE HA . 16748 1 1631 . 1 1 154 154 ILE HB H 1 1.811 . . 1 . . . . 142 ILE HB . 16748 1 1632 . 1 1 154 154 ILE HD11 H 1 0.735 . . 1 . . . . 142 ILE HD11 . 16748 1 1633 . 1 1 154 154 ILE HD12 H 1 0.735 . . 1 . . . . 142 ILE HD11 . 16748 1 1634 . 1 1 154 154 ILE HD13 H 1 0.735 . . 1 . . . . 142 ILE HD11 . 16748 1 1635 . 1 1 154 154 ILE HG12 H 1 1.370 . . 1 . . . . 142 ILE HG11 . 16748 1 1636 . 1 1 154 154 ILE HG13 H 1 1.209 . . 1 . . . . 142 ILE HG12 . 16748 1 1637 . 1 1 154 154 ILE HG21 H 1 0.674 . . 1 . . . . 142 ILE HG21 . 16748 1 1638 . 1 1 154 154 ILE HG22 H 1 0.674 . . 1 . . . . 142 ILE HG21 . 16748 1 1639 . 1 1 154 154 ILE HG23 H 1 0.674 . . 1 . . . . 142 ILE HG21 . 16748 1 1640 . 1 1 154 154 ILE C C 13 174.633 . . 1 . . . . 142 ILE C . 16748 1 1641 . 1 1 154 154 ILE CA C 13 57.806 . . 1 . . . . 142 ILE CA . 16748 1 1642 . 1 1 154 154 ILE CB C 13 39.823 . . 1 . . . . 142 ILE CB . 16748 1 1643 . 1 1 154 154 ILE CD1 C 13 12.330 . . 1 . . . . 142 ILE CD1 . 16748 1 1644 . 1 1 154 154 ILE CG1 C 13 27.852 . . 1 . . . . 142 ILE CG1 . 16748 1 1645 . 1 1 154 154 ILE CG2 C 13 18.707 . . 1 . . . . 142 ILE CG2 . 16748 1 1646 . 1 1 154 154 ILE N N 15 131.195 . . 1 . . . . 142 ILE N . 16748 1 1647 . 1 1 155 155 THR H H 1 8.811 . . 1 . . . . 143 THR HN . 16748 1 1648 . 1 1 155 155 THR HA H 1 4.780 . . 1 . . . . 143 THR HA . 16748 1 1649 . 1 1 155 155 THR HB H 1 4.359 . . 1 . . . . 143 THR HB . 16748 1 1650 . 1 1 155 155 THR HG21 H 1 1.085 . . 1 . . . . 143 THR HG21 . 16748 1 1651 . 1 1 155 155 THR HG22 H 1 1.085 . . 1 . . . . 143 THR HG21 . 16748 1 1652 . 1 1 155 155 THR HG23 H 1 1.085 . . 1 . . . . 143 THR HG21 . 16748 1 1653 . 1 1 155 155 THR C C 13 172.917 . . 1 . . . . 143 THR C . 16748 1 1654 . 1 1 155 155 THR CA C 13 62.731 . . 1 . . . . 143 THR CA . 16748 1 1655 . 1 1 155 155 THR CB C 13 69.223 . . 1 . . . . 143 THR CB . 16748 1 1656 . 1 1 155 155 THR CG2 C 13 20.775 . . 1 . . . . 143 THR CG2 . 16748 1 1657 . 1 1 155 155 THR N N 15 127.230 . . 1 . . . . 143 THR N . 16748 1 1658 . 1 1 156 156 VAL H H 1 9.358 . . 1 . . . . 144 VAL HN . 16748 1 1659 . 1 1 156 156 VAL HA H 1 4.969 . . 1 . . . . 144 VAL HA . 16748 1 1660 . 1 1 156 156 VAL HB H 1 2.448 . . 1 . . . . 144 VAL HB . 16748 1 1661 . 1 1 156 156 VAL HG11 H 1 0.674 . . 2 . . . . 144 VAL HG11 . 16748 1 1662 . 1 1 156 156 VAL HG12 H 1 0.674 . . 2 . . . . 144 VAL HG11 . 16748 1 1663 . 1 1 156 156 VAL HG13 H 1 0.674 . . 2 . . . . 144 VAL HG11 . 16748 1 1664 . 1 1 156 156 VAL HG21 H 1 0.470 . . 2 . . . . 144 VAL HG21 . 16748 1 1665 . 1 1 156 156 VAL HG22 H 1 0.470 . . 2 . . . . 144 VAL HG21 . 16748 1 1666 . 1 1 156 156 VAL HG23 H 1 0.470 . . 2 . . . . 144 VAL HG21 . 16748 1 1667 . 1 1 156 156 VAL C C 13 175.752 . . 1 . . . . 144 VAL C . 16748 1 1668 . 1 1 156 156 VAL CA C 13 60.716 . . 1 . . . . 144 VAL CA . 16748 1 1669 . 1 1 156 156 VAL CB C 13 31.258 . . 1 . . . . 144 VAL CB . 16748 1 1670 . 1 1 156 156 VAL CG1 C 13 23.043 . . 1 . . . . 144 VAL CG1 . 16748 1 1671 . 1 1 156 156 VAL CG2 C 13 21.750 . . 1 . . . . 144 VAL CG2 . 16748 1 1672 . 1 1 156 156 VAL N N 15 130.443 . . 1 . . . . 144 VAL N . 16748 1 1673 . 1 1 157 157 VAL H H 1 8.642 . . 1 . . . . 145 VAL HN . 16748 1 1674 . 1 1 157 157 VAL HA H 1 4.210 . . 1 . . . . 145 VAL HA . 16748 1 1675 . 1 1 157 157 VAL HB H 1 2.088 . . 1 . . . . 145 VAL HB . 16748 1 1676 . 1 1 157 157 VAL HG11 H 1 0.885 . . 2 . . . . 145 VAL HG11 . 16748 1 1677 . 1 1 157 157 VAL HG12 H 1 0.885 . . 2 . . . . 145 VAL HG11 . 16748 1 1678 . 1 1 157 157 VAL HG13 H 1 0.885 . . 2 . . . . 145 VAL HG11 . 16748 1 1679 . 1 1 157 157 VAL HG21 H 1 0.831 . . 2 . . . . 145 VAL HG21 . 16748 1 1680 . 1 1 157 157 VAL HG22 H 1 0.831 . . 2 . . . . 145 VAL HG21 . 16748 1 1681 . 1 1 157 157 VAL HG23 H 1 0.831 . . 2 . . . . 145 VAL HG21 . 16748 1 1682 . 1 1 157 157 VAL C C 13 179.453 . . 1 . . . . 145 VAL C . 16748 1 1683 . 1 1 157 157 VAL CA C 13 62.669 . . 1 . . . . 145 VAL CA . 16748 1 1684 . 1 1 157 157 VAL CB C 13 34.031 . . 1 . . . . 145 VAL CB . 16748 1 1685 . 1 1 157 157 VAL CG1 C 13 21.800 . . 1 . . . . 145 VAL CG1 . 16748 1 1686 . 1 1 157 157 VAL CG2 C 13 19.705 . . 1 . . . . 145 VAL CG2 . 16748 1 1687 . 1 1 157 157 VAL N N 15 131.641 . . 1 . . . . 145 VAL N . 16748 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 516 16748 1 1 517 16748 1 1 519 16748 1 1 520 16748 1 2 524 16748 1 2 525 16748 1 2 527 16748 1 2 528 16748 1 stop_ save_