data_15616 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15616 _Entry.Title ; NMR Structure of the F1 domain (residues 86-202) of the Talin FERM domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-01-04 _Entry.Accession_date 2008-01-04 _Entry.Last_release_date 2010-02-18 _Entry.Original_release_date 2010-02-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Benjamin Goult . T. . 15616 2 Paul Elliott . R. . 15616 3 David Critchley . R. . 15616 4 Igor Barsukov . L. . 15616 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15616 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 517 15616 '15N chemical shifts' 132 15616 '1H chemical shifts' 804 15616 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 . . 2010-02-18 2008-01-04 original author . 15616 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15457 'domain, 1655-1822' 15616 BMRB 15458 'F0 domain (residues 1-85)' 15616 BMRB 15615 'F0F1 double domain' 15616 BMRB 15625 'Residues 1815-1973' 15616 BMRB 16930 'F2 domain (residues 196-309)' 15616 BMRB 16932 'F2F3 domain (residues 196-405)' 15616 BMRB 16959 'F1F2 double domain (residues 86-303)' 15616 BMRB 17070 'domain C' 15616 PDB 2KBB 'structure entry' 15616 PDB 2KMA 'structure entry' 15616 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15616 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The NMR Structure of the F0F1 double domain (Residues 1-202) from the talin FERM domain' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Benjamin Goult . T. . 15616 1 2 Paul Elliott . R. . 15616 1 3 Gordon Roberts . C.K. . 15616 1 4 David Critchley . R. . 15616 1 5 Igor Barsukov . L. . 15616 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CYTOSKELETON 15616 1 F1 15616 1 FERM 15616 1 NMR 15616 1 Talin 15616 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15616 _Assembly.ID 1 _Assembly.Name F1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 15001.2 _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 F1 1 $F1 A . yes native no no . . . 15616 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_F1 _Entity.Sf_category entity _Entity.Sf_framecode F1 _Entity.Entry_ID 15616 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name F1 _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 ; SSGLVPRGSHMRPLKIRMLD GTVKTIMVDDSKTVTDMLMT ICARIGITNHDEYSLVRELM EEKKDEGTGTLRKDKTLLRD EKKMEKLKQKLHTDDELNWL DHGRTLREQGVEEHETLLLR RKFFYSDQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 75 to 85 (SSGLVPRGSHM) represent a non-native expression tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15001.2 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15615 . F0F1 . . . . . 91.41 208 100.00 100.00 4.80e-75 . . . . 15616 1 2 no PDB 2KC2 . "Nmr Structure Of The F1 Domain (Residues 86-202) Of The Talin" . . . . . 100.00 128 100.00 100.00 3.71e-85 . . . . 15616 1 3 no DBJ BAA82979 . "KIAA1027 protein [Homo sapiens]" . . . . . 91.41 2541 98.29 99.15 5.86e-69 . . . . 15616 1 4 no DBJ BAC30516 . "unnamed protein product [Mus musculus]" . . . . . 80.47 300 100.00 100.00 6.54e-64 . . . . 15616 1 5 no DBJ BAC65702 . "mKIAA1027 protein [Mus musculus]" . . . . . 91.41 2564 100.00 100.00 5.98e-71 . . . . 15616 1 6 no DBJ BAE27781 . "unnamed protein product [Mus musculus]" . . . . . 91.41 2541 100.00 100.00 8.00e-71 . . . . 15616 1 7 no DBJ BAG09941 . "talin-1 [synthetic construct]" . . . . . 91.41 2541 98.29 99.15 5.86e-69 . . . . 15616 1 8 no EMBL CAA39588 . "talin [Mus musculus]" . . . . . 91.41 2541 100.00 100.00 6.86e-71 . . . . 15616 1 9 no GB AAD13152 . "talin [Homo sapiens]" . . . . . 91.41 2541 98.29 99.15 5.92e-69 . . . . 15616 1 10 no GB AAF23322 . "talin [Homo sapiens]" . . . . . 91.41 2541 98.29 99.15 5.86e-69 . . . . 15616 1 11 no GB AAF27330 . "talin [Homo sapiens]" . . . . . 91.41 2540 98.29 99.15 5.86e-69 . . . . 15616 1 12 no GB AAH42923 . "Talin 1 [Homo sapiens]" . . . . . 91.41 2541 98.29 99.15 5.12e-69 . . . . 15616 1 13 no GB AAI50811 . "Talin 1 [Mus musculus]" . . . . . 91.41 2541 100.00 100.00 7.13e-71 . . . . 15616 1 14 no PRF 1617167A . talin . . . . . 91.41 2541 100.00 100.00 6.86e-71 . . . . 15616 1 15 no REF NP_001034114 . "talin-1 [Rattus norvegicus]" . . . . . 91.41 2541 100.00 100.00 5.93e-71 . . . . 15616 1 16 no REF NP_006280 . "talin-1 [Homo sapiens]" . . . . . 91.41 2541 98.29 99.15 5.86e-69 . . . . 15616 1 17 no REF NP_035732 . "talin-1 [Mus musculus]" . . . . . 91.41 2541 100.00 100.00 7.13e-71 . . . . 15616 1 18 no REF XP_001084941 . "PREDICTED: talin-1 [Macaca mulatta]" . . . . . 91.41 2428 98.29 99.15 5.48e-69 . . . . 15616 1 19 no REF XP_001504543 . "PREDICTED: talin-1 isoform X1 [Equus caballus]" . . . . . 91.41 2541 98.29 99.15 4.22e-69 . . . . 15616 1 20 no SP P26039 . "RecName: Full=Talin-1" . . . . . 91.41 2541 100.00 100.00 7.13e-71 . . . . 15616 1 21 no SP Q9Y490 . "RecName: Full=Talin-1" . . . . . 91.41 2541 98.29 99.15 5.86e-69 . . . . 15616 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 75 SER . 15616 1 2 76 SER . 15616 1 3 77 GLY . 15616 1 4 78 LEU . 15616 1 5 79 VAL . 15616 1 6 80 PRO . 15616 1 7 81 ARG . 15616 1 8 82 GLY . 15616 1 9 83 SER . 15616 1 10 84 HIS . 15616 1 11 85 MET . 15616 1 12 86 ARG . 15616 1 13 87 PRO . 15616 1 14 88 LEU . 15616 1 15 89 LYS . 15616 1 16 90 ILE . 15616 1 17 91 ARG . 15616 1 18 92 MET . 15616 1 19 93 LEU . 15616 1 20 94 ASP . 15616 1 21 95 GLY . 15616 1 22 96 THR . 15616 1 23 97 VAL . 15616 1 24 98 LYS . 15616 1 25 99 THR . 15616 1 26 100 ILE . 15616 1 27 101 MET . 15616 1 28 102 VAL . 15616 1 29 103 ASP . 15616 1 30 104 ASP . 15616 1 31 105 SER . 15616 1 32 106 LYS . 15616 1 33 107 THR . 15616 1 34 108 VAL . 15616 1 35 109 THR . 15616 1 36 110 ASP . 15616 1 37 111 MET . 15616 1 38 112 LEU . 15616 1 39 113 MET . 15616 1 40 114 THR . 15616 1 41 115 ILE . 15616 1 42 116 CYS . 15616 1 43 117 ALA . 15616 1 44 118 ARG . 15616 1 45 119 ILE . 15616 1 46 120 GLY . 15616 1 47 121 ILE . 15616 1 48 122 THR . 15616 1 49 123 ASN . 15616 1 50 124 HIS . 15616 1 51 125 ASP . 15616 1 52 126 GLU . 15616 1 53 127 TYR . 15616 1 54 128 SER . 15616 1 55 129 LEU . 15616 1 56 130 VAL . 15616 1 57 131 ARG . 15616 1 58 132 GLU . 15616 1 59 133 LEU . 15616 1 60 134 MET . 15616 1 61 135 GLU . 15616 1 62 136 GLU . 15616 1 63 137 LYS . 15616 1 64 138 LYS . 15616 1 65 139 ASP . 15616 1 66 140 GLU . 15616 1 67 141 GLY . 15616 1 68 142 THR . 15616 1 69 143 GLY . 15616 1 70 144 THR . 15616 1 71 145 LEU . 15616 1 72 146 ARG . 15616 1 73 147 LYS . 15616 1 74 148 ASP . 15616 1 75 149 LYS . 15616 1 76 150 THR . 15616 1 77 151 LEU . 15616 1 78 152 LEU . 15616 1 79 153 ARG . 15616 1 80 154 ASP . 15616 1 81 155 GLU . 15616 1 82 156 LYS . 15616 1 83 157 LYS . 15616 1 84 158 MET . 15616 1 85 159 GLU . 15616 1 86 160 LYS . 15616 1 87 161 LEU . 15616 1 88 162 LYS . 15616 1 89 163 GLN . 15616 1 90 164 LYS . 15616 1 91 165 LEU . 15616 1 92 166 HIS . 15616 1 93 167 THR . 15616 1 94 168 ASP . 15616 1 95 169 ASP . 15616 1 96 170 GLU . 15616 1 97 171 LEU . 15616 1 98 172 ASN . 15616 1 99 173 TRP . 15616 1 100 174 LEU . 15616 1 101 175 ASP . 15616 1 102 176 HIS . 15616 1 103 177 GLY . 15616 1 104 178 ARG . 15616 1 105 179 THR . 15616 1 106 180 LEU . 15616 1 107 181 ARG . 15616 1 108 182 GLU . 15616 1 109 183 GLN . 15616 1 110 184 GLY . 15616 1 111 185 VAL . 15616 1 112 186 GLU . 15616 1 113 187 GLU . 15616 1 114 188 HIS . 15616 1 115 189 GLU . 15616 1 116 190 THR . 15616 1 117 191 LEU . 15616 1 118 192 LEU . 15616 1 119 193 LEU . 15616 1 120 194 ARG . 15616 1 121 195 ARG . 15616 1 122 196 LYS . 15616 1 123 197 PHE . 15616 1 124 198 PHE . 15616 1 125 199 TYR . 15616 1 126 200 SER . 15616 1 127 201 ASP . 15616 1 128 202 GLN . 15616 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 . SER 1 1 15616 1 . SER 2 2 15616 1 . GLY 3 3 15616 1 . LEU 4 4 15616 1 . VAL 5 5 15616 1 . PRO 6 6 15616 1 . ARG 7 7 15616 1 . GLY 8 8 15616 1 . SER 9 9 15616 1 . HIS 10 10 15616 1 . MET 11 11 15616 1 . ARG 12 12 15616 1 . PRO 13 13 15616 1 . LEU 14 14 15616 1 . LYS 15 15 15616 1 . ILE 16 16 15616 1 . ARG 17 17 15616 1 . MET 18 18 15616 1 . LEU 19 19 15616 1 . ASP 20 20 15616 1 . GLY 21 21 15616 1 . THR 22 22 15616 1 . VAL 23 23 15616 1 . LYS 24 24 15616 1 . THR 25 25 15616 1 . ILE 26 26 15616 1 . MET 27 27 15616 1 . VAL 28 28 15616 1 . ASP 29 29 15616 1 . ASP 30 30 15616 1 . SER 31 31 15616 1 . LYS 32 32 15616 1 . THR 33 33 15616 1 . VAL 34 34 15616 1 . THR 35 35 15616 1 . ASP 36 36 15616 1 . MET 37 37 15616 1 . LEU 38 38 15616 1 . MET 39 39 15616 1 . THR 40 40 15616 1 . ILE 41 41 15616 1 . CYS 42 42 15616 1 . ALA 43 43 15616 1 . ARG 44 44 15616 1 . ILE 45 45 15616 1 . GLY 46 46 15616 1 . ILE 47 47 15616 1 . THR 48 48 15616 1 . ASN 49 49 15616 1 . HIS 50 50 15616 1 . ASP 51 51 15616 1 . GLU 52 52 15616 1 . TYR 53 53 15616 1 . SER 54 54 15616 1 . LEU 55 55 15616 1 . VAL 56 56 15616 1 . ARG 57 57 15616 1 . GLU 58 58 15616 1 . LEU 59 59 15616 1 . MET 60 60 15616 1 . GLU 61 61 15616 1 . GLU 62 62 15616 1 . LYS 63 63 15616 1 . LYS 64 64 15616 1 . ASP 65 65 15616 1 . GLU 66 66 15616 1 . GLY 67 67 15616 1 . THR 68 68 15616 1 . GLY 69 69 15616 1 . THR 70 70 15616 1 . LEU 71 71 15616 1 . ARG 72 72 15616 1 . LYS 73 73 15616 1 . ASP 74 74 15616 1 . LYS 75 75 15616 1 . THR 76 76 15616 1 . LEU 77 77 15616 1 . LEU 78 78 15616 1 . ARG 79 79 15616 1 . ASP 80 80 15616 1 . GLU 81 81 15616 1 . LYS 82 82 15616 1 . LYS 83 83 15616 1 . MET 84 84 15616 1 . GLU 85 85 15616 1 . LYS 86 86 15616 1 . LEU 87 87 15616 1 . LYS 88 88 15616 1 . GLN 89 89 15616 1 . LYS 90 90 15616 1 . LEU 91 91 15616 1 . HIS 92 92 15616 1 . THR 93 93 15616 1 . ASP 94 94 15616 1 . ASP 95 95 15616 1 . GLU 96 96 15616 1 . LEU 97 97 15616 1 . ASN 98 98 15616 1 . TRP 99 99 15616 1 . LEU 100 100 15616 1 . ASP 101 101 15616 1 . HIS 102 102 15616 1 . GLY 103 103 15616 1 . ARG 104 104 15616 1 . THR 105 105 15616 1 . LEU 106 106 15616 1 . ARG 107 107 15616 1 . GLU 108 108 15616 1 . GLN 109 109 15616 1 . GLY 110 110 15616 1 . VAL 111 111 15616 1 . GLU 112 112 15616 1 . GLU 113 113 15616 1 . HIS 114 114 15616 1 . GLU 115 115 15616 1 . THR 116 116 15616 1 . LEU 117 117 15616 1 . LEU 118 118 15616 1 . LEU 119 119 15616 1 . ARG 120 120 15616 1 . ARG 121 121 15616 1 . LYS 122 122 15616 1 . PHE 123 123 15616 1 . PHE 124 124 15616 1 . TYR 125 125 15616 1 . SER 126 126 15616 1 . ASP 127 127 15616 1 . GLN 128 128 15616 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 15616 _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 $F1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 15616 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 15616 _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 $F1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . PET-151 . . . . . . 15616 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unlabelled _Sample.Sf_category sample _Sample.Sf_framecode unlabelled _Sample.Entry_ID 15616 _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 F1 'natural abundance' . . 1 $F1 . . 1 . . mM 0.05 . . . 15616 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.05 . . . 15616 1 3 DTT 'natural abundance' . . . . . . 2 . . mM 0.05 . . . 15616 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.05 . . . 15616 1 5 H2O . . . . . . . 90 . . % . . . . 15616 1 6 D2O . . . . . . . 10 . . % . . . . 15616 1 stop_ save_ save_15n _Sample.Sf_category sample _Sample.Sf_framecode 15n _Sample.Entry_ID 15616 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 F1 '[U-100% 15N]' . . 1 $F1 . . 1 . . mM 0.05 . . . 15616 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.05 . . . 15616 2 3 DTT 'natural abundance' . . . . . . 2 . . mM 0.05 . . . 15616 2 4 H2O . . . . . . . 90 . . % . . . . 15616 2 5 D2O . . . . . . . 10 . . % . . . . 15616 2 stop_ save_ save_double _Sample.Sf_category sample _Sample.Sf_framecode double _Sample.Entry_ID 15616 _Sample.ID 3 _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 F1 '[U-100% 13C; U-100% 15N]' . . 1 $F1 . . 1 . . mM 0.05 . . . 15616 3 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.05 . . . 15616 3 3 DTT 'natural abundance' . . . . . . 2 . . mM 0.05 . . . 15616 3 4 H2O . . . . . . . 90 . . % . . . . 15616 3 5 D2O . . . . . . . 10 . . % . . . . 15616 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15616 _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 0.1 mM 15616 1 pH 6.5 0.1 pH 15616 1 pressure 1 . atm 15616 1 temperature 298 0.1 K 15616 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15616 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15616 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15616 1 processing 15616 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 15616 _Software.ID 2 _Software.Name Analysis _Software.Version 1.015 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 15616 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15616 2 'data analysis' 15616 2 'peak picking' 15616 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15616 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15616 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15616 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 15616 _Software.ID 4 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 15616 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15616 4 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 15616 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15616 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15616 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15616 _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 . 600 . . . 15616 1 2 spectrometer_2 Bruker DRX . 600 'with cryoprobe' . . 15616 1 3 spectrometer_3 Bruker DRX . 800 'with cryoprobe' . . 15616 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 15616 _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 . . . . . . . . . . 2 $15n isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15616 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $double isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15616 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $double isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15616 1 4 '3D HNCO' no . . . . . . . . . . 3 $double isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15616 1 5 '3D HNCA' no . . . . . . . . . . 3 $double isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15616 1 6 '3D HNCACB' no . . . . . . . . . . 3 $double isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15616 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $double isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15616 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $double isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15616 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $15n isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15616 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 15616 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15616 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15616 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15616 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15616 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.015 _Assigned_chem_shift_list.Chem_shift_13C_err 0.25 _Assigned_chem_shift_list.Chem_shift_15N_err 0.25 _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' . . . 15616 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 15616 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 2 2 SER HA H 1 4.411 0.015 . 1 . . . . 76 SER HA . 15616 1 2 . 1 1 2 2 SER HB2 H 1 3.850 0.015 . 1 . . . . 76 SER HB2 . 15616 1 3 . 1 1 2 2 SER HB3 H 1 3.854 0.015 . 1 . . . . 76 SER HB3 . 15616 1 4 . 1 1 2 2 SER C C 13 174.908 0.25 . 1 . . . . 76 SER C . 15616 1 5 . 1 1 2 2 SER CA C 13 58.461 0.25 . 1 . . . . 76 SER CA . 15616 1 6 . 1 1 2 2 SER CB C 13 63.653 0.25 . 1 . . . . 76 SER CB . 15616 1 7 . 1 1 3 3 GLY H H 1 8.334 0.015 . 1 . . . . 77 GLY H . 15616 1 8 . 1 1 3 3 GLY HA2 H 1 3.915 0.015 . 1 . . . . 77 GLY HA2 . 15616 1 9 . 1 1 3 3 GLY HA3 H 1 3.915 0.015 . 1 . . . . 77 GLY HA3 . 15616 1 10 . 1 1 3 3 GLY C C 13 173.709 0.25 . 1 . . . . 77 GLY C . 15616 1 11 . 1 1 3 3 GLY CA C 13 44.974 0.25 . 1 . . . . 77 GLY CA . 15616 1 12 . 1 1 3 3 GLY N N 15 110.406 0.25 . 1 . . . . 77 GLY N . 15616 1 13 . 1 1 4 4 LEU H H 1 7.985 0.015 . 1 . . . . 78 LEU H . 15616 1 14 . 1 1 4 4 LEU HA H 1 4.303 0.015 . 1 . . . . 78 LEU HA . 15616 1 15 . 1 1 4 4 LEU HB2 H 1 1.579 0.015 . 1 . . . . 78 LEU HB2 . 15616 1 16 . 1 1 4 4 LEU HB3 H 1 1.498 0.015 . 1 . . . . 78 LEU HB3 . 15616 1 17 . 1 1 4 4 LEU C C 13 177.010 0.25 . 1 . . . . 78 LEU C . 15616 1 18 . 1 1 4 4 LEU CA C 13 54.805 0.25 . 1 . . . . 78 LEU CA . 15616 1 19 . 1 1 4 4 LEU CB C 13 42.080 0.25 . 1 . . . . 78 LEU CB . 15616 1 20 . 1 1 4 4 LEU N N 15 121.424 0.25 . 1 . . . . 78 LEU N . 15616 1 21 . 1 1 5 5 VAL H H 1 8.019 0.015 . 1 . . . . 79 VAL H . 15616 1 22 . 1 1 5 5 VAL HA H 1 4.336 0.015 . 1 . . . . 79 VAL HA . 15616 1 23 . 1 1 5 5 VAL HB H 1 1.992 0.015 . 1 . . . . 79 VAL HB . 15616 1 24 . 1 1 5 5 VAL HG11 H 1 0.887 0.015 . 1 . . . . 79 VAL HG11 . 15616 1 25 . 1 1 5 5 VAL HG12 H 1 0.887 0.015 . 1 . . . . 79 VAL HG12 . 15616 1 26 . 1 1 5 5 VAL HG13 H 1 0.887 0.015 . 1 . . . . 79 VAL HG13 . 15616 1 27 . 1 1 5 5 VAL HG21 H 1 0.865 0.015 . 1 . . . . 79 VAL HG21 . 15616 1 28 . 1 1 5 5 VAL HG22 H 1 0.865 0.015 . 1 . . . . 79 VAL HG22 . 15616 1 29 . 1 1 5 5 VAL HG23 H 1 0.865 0.015 . 1 . . . . 79 VAL HG23 . 15616 1 30 . 1 1 5 5 VAL C C 13 174.282 0.25 . 1 . . . . 79 VAL C . 15616 1 31 . 1 1 5 5 VAL CA C 13 59.448 0.25 . 1 . . . . 79 VAL CA . 15616 1 32 . 1 1 5 5 VAL CB C 13 32.361 0.25 . 1 . . . . 79 VAL CB . 15616 1 33 . 1 1 5 5 VAL CG1 C 13 20.662 0.25 . 1 . . . . 79 VAL CG1 . 15616 1 34 . 1 1 5 5 VAL CG2 C 13 20.095 0.25 . 1 . . . . 79 VAL CG2 . 15616 1 35 . 1 1 5 5 VAL N N 15 122.501 0.25 . 1 . . . . 79 VAL N . 15616 1 36 . 1 1 6 6 PRO HA H 1 4.347 0.015 . 1 . . . . 80 PRO HA . 15616 1 37 . 1 1 6 6 PRO HB2 H 1 2.226 0.015 . 1 . . . . 80 PRO HB2 . 15616 1 38 . 1 1 6 6 PRO HB3 H 1 1.842 0.015 . 1 . . . . 80 PRO HB3 . 15616 1 39 . 1 1 6 6 PRO HD2 H 1 3.799 0.015 . 1 . . . . 80 PRO HD2 . 15616 1 40 . 1 1 6 6 PRO HD3 H 1 3.595 0.015 . 1 . . . . 80 PRO HD3 . 15616 1 41 . 1 1 6 6 PRO HG2 H 1 1.976 0.015 . 1 . . . . 80 PRO HG2 . 15616 1 42 . 1 1 6 6 PRO HG3 H 1 1.888 0.015 . 1 . . . . 80 PRO HG3 . 15616 1 43 . 1 1 6 6 PRO C C 13 173.007 0.25 . 1 . . . . 80 PRO C . 15616 1 44 . 1 1 6 6 PRO CA C 13 62.812 0.25 . 1 . . . . 80 PRO CA . 15616 1 45 . 1 1 6 6 PRO CB C 13 31.765 0.25 . 1 . . . . 80 PRO CB . 15616 1 46 . 1 1 6 6 PRO CD C 13 50.741 0.25 . 1 . . . . 80 PRO CD . 15616 1 47 . 1 1 6 6 PRO CG C 13 27.065 0.25 . 1 . . . . 80 PRO CG . 15616 1 48 . 1 1 7 7 ARG H H 1 8.408 0.015 . 1 . . . . 81 ARG H . 15616 1 49 . 1 1 7 7 ARG HA H 1 4.280 0.015 . 1 . . . . 81 ARG HA . 15616 1 50 . 1 1 7 7 ARG HB2 H 1 1.817 0.015 . 1 . . . . 81 ARG HB2 . 15616 1 51 . 1 1 7 7 ARG HB3 H 1 1.733 0.015 . 1 . . . . 81 ARG HB3 . 15616 1 52 . 1 1 7 7 ARG HD2 H 1 3.154 0.015 . 1 . . . . 81 ARG HD2 . 15616 1 53 . 1 1 7 7 ARG HD3 H 1 3.154 0.015 . 1 . . . . 81 ARG HD3 . 15616 1 54 . 1 1 7 7 ARG HG2 H 1 1.606 0.015 . 1 . . . . 81 ARG HG2 . 15616 1 55 . 1 1 7 7 ARG HG3 H 1 1.533 0.015 . 1 . . . . 81 ARG HG3 . 15616 1 56 . 1 1 7 7 ARG C C 13 176.789 0.25 . 1 . . . . 81 ARG C . 15616 1 57 . 1 1 7 7 ARG CA C 13 55.872 0.25 . 1 . . . . 81 ARG CA . 15616 1 58 . 1 1 7 7 ARG CB C 13 30.560 0.25 . 1 . . . . 81 ARG CB . 15616 1 59 . 1 1 7 7 ARG CD C 13 43.037 0.25 . 1 . . . . 81 ARG CD . 15616 1 60 . 1 1 7 7 ARG CG C 13 26.792 0.25 . 1 . . . . 81 ARG CG . 15616 1 61 . 1 1 7 7 ARG N N 15 121.784 0.25 . 1 . . . . 81 ARG N . 15616 1 62 . 1 1 8 8 GLY H H 1 8.386 0.015 . 1 . . . . 82 GLY H . 15616 1 63 . 1 1 8 8 GLY HA2 H 1 3.935 0.015 . 1 . . . . 82 GLY HA2 . 15616 1 64 . 1 1 8 8 GLY HA3 H 1 3.935 0.015 . 1 . . . . 82 GLY HA3 . 15616 1 65 . 1 1 8 8 GLY C C 13 173.694 0.25 . 1 . . . . 82 GLY C . 15616 1 66 . 1 1 8 8 GLY CA C 13 44.816 0.25 . 1 . . . . 82 GLY CA . 15616 1 67 . 1 1 8 8 GLY N N 15 110.310 0.25 . 1 . . . . 82 GLY N . 15616 1 68 . 1 1 9 9 SER H H 1 8.100 0.015 . 1 . . . . 83 SER H . 15616 1 69 . 1 1 9 9 SER HA H 1 4.410 0.015 . 1 . . . . 83 SER HA . 15616 1 70 . 1 1 9 9 SER HB2 H 1 3.708 0.015 . 1 . . . . 83 SER HB2 . 15616 1 71 . 1 1 9 9 SER HB3 H 1 3.708 0.015 . 1 . . . . 83 SER HB3 . 15616 1 72 . 1 1 9 9 SER C C 13 174.285 0.25 . 1 . . . . 83 SER C . 15616 1 73 . 1 1 9 9 SER CA C 13 58.461 0.25 . 1 . . . . 83 SER CA . 15616 1 74 . 1 1 9 9 SER CB C 13 64.089 0.25 . 1 . . . . 83 SER CB . 15616 1 75 . 1 1 9 9 SER N N 15 115.322 0.25 . 1 . . . . 83 SER N . 15616 1 76 . 1 1 10 10 HIS HA H 1 4.653 0.015 . 1 . . . . 84 HIS HA . 15616 1 77 . 1 1 10 10 HIS HB2 H 1 3.028 0.015 . 1 . . . . 84 HIS HB2 . 15616 1 78 . 1 1 10 10 HIS HB3 H 1 3.303 0.015 . 1 . . . . 84 HIS HB3 . 15616 1 79 . 1 1 10 10 HIS HD2 H 1 7.150 0.015 . 1 . . . . 84 HIS HD2 . 15616 1 80 . 1 1 10 10 HIS HE1 H 1 8.236 0.015 . 1 . . . . 84 HIS HE1 . 15616 1 81 . 1 1 10 10 HIS C C 13 173.225 0.25 . 1 . . . . 84 HIS C . 15616 1 82 . 1 1 10 10 HIS CA C 13 55.752 0.25 . 1 . . . . 84 HIS CA . 15616 1 83 . 1 1 10 10 HIS CB C 13 29.512 0.25 . 1 . . . . 84 HIS CB . 15616 1 84 . 1 1 10 10 HIS CD2 C 13 120.169 0.25 . 1 . . . . 84 HIS CD2 . 15616 1 85 . 1 1 10 10 HIS CE1 C 13 136.656 0.25 . 1 . . . . 84 HIS CE1 . 15616 1 86 . 1 1 11 11 MET H H 1 7.976 0.015 . 1 . . . . 85 MET H . 15616 1 87 . 1 1 11 11 MET HA H 1 5.143 0.015 . 1 . . . . 85 MET HA . 15616 1 88 . 1 1 11 11 MET HB2 H 1 1.821 0.015 . 1 . . . . 85 MET HB2 . 15616 1 89 . 1 1 11 11 MET HB3 H 1 1.609 0.015 . 1 . . . . 85 MET HB3 . 15616 1 90 . 1 1 11 11 MET HG2 H 1 2.276 0.015 . 1 . . . . 85 MET HG2 . 15616 1 91 . 1 1 11 11 MET HG3 H 1 2.505 0.015 . 1 . . . . 85 MET HG3 . 15616 1 92 . 1 1 11 11 MET C C 13 175.953 0.25 . 1 . . . . 85 MET C . 15616 1 93 . 1 1 11 11 MET CA C 13 53.180 0.25 . 1 . . . . 85 MET CA . 15616 1 94 . 1 1 11 11 MET CB C 13 31.688 0.25 . 1 . . . . 85 MET CB . 15616 1 95 . 1 1 11 11 MET CG C 13 31.646 0.25 . 1 . . . . 85 MET CG . 15616 1 96 . 1 1 11 11 MET N N 15 121.219 0.25 . 1 . . . . 85 MET N . 15616 1 97 . 1 1 12 12 ARG H H 1 9.368 0.015 . 1 . . . . 86 ARG H . 15616 1 98 . 1 1 12 12 ARG HA H 1 4.835 0.015 . 1 . . . . 86 ARG HA . 15616 1 99 . 1 1 12 12 ARG HB2 H 1 1.808 0.015 . 1 . . . . 86 ARG HB2 . 15616 1 100 . 1 1 12 12 ARG HB3 H 1 1.808 0.015 . 1 . . . . 86 ARG HB3 . 15616 1 101 . 1 1 12 12 ARG HD2 H 1 3.011 0.015 . 1 . . . . 86 ARG HD2 . 15616 1 102 . 1 1 12 12 ARG HD3 H 1 3.011 0.015 . 1 . . . . 86 ARG HD3 . 15616 1 103 . 1 1 12 12 ARG HE H 1 7.797 0.015 . 1 . . . . 86 ARG HE . 15616 1 104 . 1 1 12 12 ARG HG2 H 1 1.541 0.015 . 1 . . . . 86 ARG HG2 . 15616 1 105 . 1 1 12 12 ARG HG3 H 1 1.541 0.015 . 1 . . . . 86 ARG HG3 . 15616 1 106 . 1 1 12 12 ARG C C 13 172.756 0.25 . 1 . . . . 86 ARG C . 15616 1 107 . 1 1 12 12 ARG CA C 13 52.628 0.25 . 1 . . . . 86 ARG CA . 15616 1 108 . 1 1 12 12 ARG CB C 13 31.536 0.25 . 1 . . . . 86 ARG CB . 15616 1 109 . 1 1 12 12 ARG CD C 13 44.068 0.25 . 1 . . . . 86 ARG CD . 15616 1 110 . 1 1 12 12 ARG CG C 13 24.595 0.25 . 1 . . . . 86 ARG CG . 15616 1 111 . 1 1 12 12 ARG N N 15 120.963 0.25 . 1 . . . . 86 ARG N . 15616 1 112 . 1 1 12 12 ARG NE N 15 85.201 0.25 . 1 . . . . 86 ARG NE . 15616 1 113 . 1 1 13 13 PRO HA H 1 4.686 0.015 . 1 . . . . 87 PRO HA . 15616 1 114 . 1 1 13 13 PRO HB2 H 1 1.733 0.015 . 1 . . . . 87 PRO HB2 . 15616 1 115 . 1 1 13 13 PRO HB3 H 1 1.966 0.015 . 1 . . . . 87 PRO HB3 . 15616 1 116 . 1 1 13 13 PRO HD2 H 1 3.685 0.015 . 1 . . . . 87 PRO HD2 . 15616 1 117 . 1 1 13 13 PRO HD3 H 1 3.605 0.015 . 1 . . . . 87 PRO HD3 . 15616 1 118 . 1 1 13 13 PRO HG2 H 1 2.136 0.015 . 1 . . . . 87 PRO HG2 . 15616 1 119 . 1 1 13 13 PRO HG3 H 1 1.913 0.015 . 1 . . . . 87 PRO HG3 . 15616 1 120 . 1 1 13 13 PRO C C 13 176.231 0.25 . 1 . . . . 87 PRO C . 15616 1 121 . 1 1 13 13 PRO CA C 13 62.433 0.25 . 1 . . . . 87 PRO CA . 15616 1 122 . 1 1 13 13 PRO CB C 13 31.434 0.25 . 1 . . . . 87 PRO CB . 15616 1 123 . 1 1 13 13 PRO CD C 13 50.387 0.25 . 1 . . . . 87 PRO CD . 15616 1 124 . 1 1 13 13 PRO CG C 13 27.231 0.25 . 1 . . . . 87 PRO CG . 15616 1 125 . 1 1 14 14 LEU H H 1 9.121 0.015 . 1 . . . . 88 LEU H . 15616 1 126 . 1 1 14 14 LEU HA H 1 4.666 0.015 . 1 . . . . 88 LEU HA . 15616 1 127 . 1 1 14 14 LEU HB2 H 1 1.910 0.015 . 1 . . . . 88 LEU HB2 . 15616 1 128 . 1 1 14 14 LEU HB3 H 1 1.126 0.015 . 1 . . . . 88 LEU HB3 . 15616 1 129 . 1 1 14 14 LEU HD11 H 1 0.747 0.015 . 1 . . . . 88 LEU HD11 . 15616 1 130 . 1 1 14 14 LEU HD12 H 1 0.747 0.015 . 1 . . . . 88 LEU HD12 . 15616 1 131 . 1 1 14 14 LEU HD13 H 1 0.747 0.015 . 1 . . . . 88 LEU HD13 . 15616 1 132 . 1 1 14 14 LEU HD21 H 1 0.850 0.015 . 1 . . . . 88 LEU HD21 . 15616 1 133 . 1 1 14 14 LEU HD22 H 1 0.850 0.015 . 1 . . . . 88 LEU HD22 . 15616 1 134 . 1 1 14 14 LEU HD23 H 1 0.850 0.015 . 1 . . . . 88 LEU HD23 . 15616 1 135 . 1 1 14 14 LEU HG H 1 1.351 0.015 . 1 . . . . 88 LEU HG . 15616 1 136 . 1 1 14 14 LEU C C 13 174.354 0.25 . 1 . . . . 88 LEU C . 15616 1 137 . 1 1 14 14 LEU CA C 13 53.522 0.25 . 1 . . . . 88 LEU CA . 15616 1 138 . 1 1 14 14 LEU CB C 13 45.470 0.25 . 1 . . . . 88 LEU CB . 15616 1 139 . 1 1 14 14 LEU CD1 C 13 27.171 0.25 . 1 . . . . 88 LEU CD1 . 15616 1 140 . 1 1 14 14 LEU CD2 C 13 23.331 0.25 . 1 . . . . 88 LEU CD2 . 15616 1 141 . 1 1 14 14 LEU CG C 13 26.671 0.25 . 1 . . . . 88 LEU CG . 15616 1 142 . 1 1 14 14 LEU N N 15 129.102 0.25 . 1 . . . . 88 LEU N . 15616 1 143 . 1 1 15 15 LYS H H 1 8.522 0.015 . 1 . . . . 89 LYS H . 15616 1 144 . 1 1 15 15 LYS HA H 1 4.677 0.015 . 1 . . . . 89 LYS HA . 15616 1 145 . 1 1 15 15 LYS HB2 H 1 1.395 0.015 . 1 . . . . 89 LYS HB2 . 15616 1 146 . 1 1 15 15 LYS HB3 H 1 1.901 0.015 . 1 . . . . 89 LYS HB3 . 15616 1 147 . 1 1 15 15 LYS C C 13 174.632 0.25 . 1 . . . . 89 LYS C . 15616 1 148 . 1 1 15 15 LYS CA C 13 55.826 0.25 . 1 . . . . 89 LYS CA . 15616 1 149 . 1 1 15 15 LYS CB C 13 32.774 0.25 . 1 . . . . 89 LYS CB . 15616 1 150 . 1 1 15 15 LYS N N 15 127.650 0.25 . 1 . . . . 89 LYS N . 15616 1 151 . 1 1 16 16 ILE H H 1 8.856 0.015 . 1 . . . . 90 ILE H . 15616 1 152 . 1 1 16 16 ILE HA H 1 5.079 0.015 . 1 . . . . 90 ILE HA . 15616 1 153 . 1 1 16 16 ILE HB H 1 1.676 0.015 . 1 . . . . 90 ILE HB . 15616 1 154 . 1 1 16 16 ILE HD11 H 1 0.670 0.015 . 1 . . . . 90 ILE HD11 . 15616 1 155 . 1 1 16 16 ILE HD12 H 1 0.670 0.015 . 1 . . . . 90 ILE HD12 . 15616 1 156 . 1 1 16 16 ILE HD13 H 1 0.670 0.015 . 1 . . . . 90 ILE HD13 . 15616 1 157 . 1 1 16 16 ILE HG12 H 1 1.292 0.015 . 1 . . . . 90 ILE HG12 . 15616 1 158 . 1 1 16 16 ILE HG13 H 1 1.094 0.015 . 1 . . . . 90 ILE HG13 . 15616 1 159 . 1 1 16 16 ILE HG21 H 1 0.679 0.015 . 1 . . . . 90 ILE HG21 . 15616 1 160 . 1 1 16 16 ILE HG22 H 1 0.679 0.015 . 1 . . . . 90 ILE HG22 . 15616 1 161 . 1 1 16 16 ILE HG23 H 1 0.679 0.015 . 1 . . . . 90 ILE HG23 . 15616 1 162 . 1 1 16 16 ILE C C 13 174.563 0.25 . 1 . . . . 90 ILE C . 15616 1 163 . 1 1 16 16 ILE CA C 13 56.901 0.25 . 1 . . . . 90 ILE CA . 15616 1 164 . 1 1 16 16 ILE CB C 13 40.582 0.25 . 1 . . . . 90 ILE CB . 15616 1 165 . 1 1 16 16 ILE CD1 C 13 13.451 0.25 . 1 . . . . 90 ILE CD1 . 15616 1 166 . 1 1 16 16 ILE CG1 C 13 26.635 0.25 . 1 . . . . 90 ILE CG1 . 15616 1 167 . 1 1 16 16 ILE CG2 C 13 18.318 0.25 . 1 . . . . 90 ILE CG2 . 15616 1 168 . 1 1 16 16 ILE N N 15 122.201 0.25 . 1 . . . . 90 ILE N . 15616 1 169 . 1 1 17 17 ARG H H 1 9.257 0.015 . 1 . . . . 91 ARG H . 15616 1 170 . 1 1 17 17 ARG HA H 1 4.854 0.015 . 1 . . . . 91 ARG HA . 15616 1 171 . 1 1 17 17 ARG HB2 H 1 1.430 0.015 . 1 . . . . 91 ARG HB2 . 15616 1 172 . 1 1 17 17 ARG HB3 H 1 1.430 0.015 . 1 . . . . 91 ARG HB3 . 15616 1 173 . 1 1 17 17 ARG HD2 H 1 3.028 0.015 . 1 . . . . 91 ARG HD2 . 15616 1 174 . 1 1 17 17 ARG HD3 H 1 3.200 0.015 . 1 . . . . 91 ARG HD3 . 15616 1 175 . 1 1 17 17 ARG HE H 1 8.075 0.015 . 1 . . . . 91 ARG HE . 15616 1 176 . 1 1 17 17 ARG HG2 H 1 1.402 0.015 . 1 . . . . 91 ARG HG2 . 15616 1 177 . 1 1 17 17 ARG HG3 H 1 1.692 0.015 . 1 . . . . 91 ARG HG3 . 15616 1 178 . 1 1 17 17 ARG C C 13 175.578 0.25 . 1 . . . . 91 ARG C . 15616 1 179 . 1 1 17 17 ARG CA C 13 54.707 0.25 . 1 . . . . 91 ARG CA . 15616 1 180 . 1 1 17 17 ARG CB C 13 30.778 0.25 . 1 . . . . 91 ARG CB . 15616 1 181 . 1 1 17 17 ARG CD C 13 42.560 0.25 . 1 . . . . 91 ARG CD . 15616 1 182 . 1 1 17 17 ARG CG C 13 26.740 0.25 . 1 . . . . 91 ARG CG . 15616 1 183 . 1 1 17 17 ARG N N 15 127.179 0.25 . 1 . . . . 91 ARG N . 15616 1 184 . 1 1 17 17 ARG NE N 15 82.861 0.25 . 1 . . . . 91 ARG NE . 15616 1 185 . 1 1 18 18 MET H H 1 8.926 0.015 . 1 . . . . 92 MET H . 15616 1 186 . 1 1 18 18 MET HA H 1 4.651 0.015 . 1 . . . . 92 MET HA . 15616 1 187 . 1 1 18 18 MET HB2 H 1 2.288 0.015 . 1 . . . . 92 MET HB2 . 15616 1 188 . 1 1 18 18 MET HB3 H 1 2.288 0.015 . 1 . . . . 92 MET HB3 . 15616 1 189 . 1 1 18 18 MET HE1 H 1 1.945 0.015 . 1 . . . . 92 MET HE1 . 15616 1 190 . 1 1 18 18 MET HE2 H 1 1.945 0.015 . 1 . . . . 92 MET HE2 . 15616 1 191 . 1 1 18 18 MET HE3 H 1 1.945 0.015 . 1 . . . . 92 MET HE3 . 15616 1 192 . 1 1 18 18 MET HG2 H 1 2.630 0.015 . 1 . . . . 92 MET HG2 . 15616 1 193 . 1 1 18 18 MET HG3 H 1 2.504 0.015 . 1 . . . . 92 MET HG3 . 15616 1 194 . 1 1 18 18 MET C C 13 178.462 0.25 . 1 . . . . 92 MET C . 15616 1 195 . 1 1 18 18 MET CA C 13 53.606 0.25 . 1 . . . . 92 MET CA . 15616 1 196 . 1 1 18 18 MET CB C 13 32.968 0.25 . 1 . . . . 92 MET CB . 15616 1 197 . 1 1 18 18 MET CE C 13 17.572 0.25 . 1 . . . . 92 MET CE . 15616 1 198 . 1 1 18 18 MET CG C 13 32.800 0.25 . 1 . . . . 92 MET CG . 15616 1 199 . 1 1 18 18 MET N N 15 124.902 0.25 . 1 . . . . 92 MET N . 15616 1 200 . 1 1 19 19 LEU H H 1 8.493 0.015 . 1 . . . . 93 LEU H . 15616 1 201 . 1 1 19 19 LEU HA H 1 4.108 0.015 . 1 . . . . 93 LEU HA . 15616 1 202 . 1 1 19 19 LEU HB2 H 1 1.663 0.015 . 1 . . . . 93 LEU HB2 . 15616 1 203 . 1 1 19 19 LEU HB3 H 1 1.778 0.015 . 1 . . . . 93 LEU HB3 . 15616 1 204 . 1 1 19 19 LEU HD11 H 1 0.984 0.015 . 1 . . . . 93 LEU HD11 . 15616 1 205 . 1 1 19 19 LEU HD12 H 1 0.984 0.015 . 1 . . . . 93 LEU HD12 . 15616 1 206 . 1 1 19 19 LEU HD13 H 1 0.984 0.015 . 1 . . . . 93 LEU HD13 . 15616 1 207 . 1 1 19 19 LEU HD21 H 1 0.993 0.015 . 1 . . . . 93 LEU HD21 . 15616 1 208 . 1 1 19 19 LEU HD22 H 1 0.993 0.015 . 1 . . . . 93 LEU HD22 . 15616 1 209 . 1 1 19 19 LEU HD23 H 1 0.993 0.015 . 1 . . . . 93 LEU HD23 . 15616 1 210 . 1 1 19 19 LEU HG H 1 1.784 0.015 . 1 . . . . 93 LEU HG . 15616 1 211 . 1 1 19 19 LEU C C 13 177.784 0.25 . 1 . . . . 93 LEU C . 15616 1 212 . 1 1 19 19 LEU CA C 13 57.657 0.25 . 1 . . . . 93 LEU CA . 15616 1 213 . 1 1 19 19 LEU CB C 13 40.992 0.25 . 1 . . . . 93 LEU CB . 15616 1 214 . 1 1 19 19 LEU CD1 C 13 23.330 0.25 . 1 . . . . 93 LEU CD1 . 15616 1 215 . 1 1 19 19 LEU CD2 C 13 24.829 0.25 . 1 . . . . 93 LEU CD2 . 15616 1 216 . 1 1 19 19 LEU CG C 13 27.178 0.25 . 1 . . . . 93 LEU CG . 15616 1 217 . 1 1 19 19 LEU N N 15 121.008 0.25 . 1 . . . . 93 LEU N . 15616 1 218 . 1 1 20 20 ASP H H 1 7.715 0.015 . 1 . . . . 94 ASP H . 15616 1 219 . 1 1 20 20 ASP HA H 1 4.475 0.015 . 1 . . . . 94 ASP HA . 15616 1 220 . 1 1 20 20 ASP HB2 H 1 2.569 0.015 . 1 . . . . 94 ASP HB2 . 15616 1 221 . 1 1 20 20 ASP HB3 H 1 3.069 0.015 . 1 . . . . 94 ASP HB3 . 15616 1 222 . 1 1 20 20 ASP C C 13 177.037 0.25 . 1 . . . . 94 ASP C . 15616 1 223 . 1 1 20 20 ASP CA C 13 53.026 0.25 . 1 . . . . 94 ASP CA . 15616 1 224 . 1 1 20 20 ASP CB C 13 39.677 0.25 . 1 . . . . 94 ASP CB . 15616 1 225 . 1 1 20 20 ASP N N 15 115.014 0.25 . 1 . . . . 94 ASP N . 15616 1 226 . 1 1 21 21 GLY H H 1 8.025 0.015 . 1 . . . . 95 GLY H . 15616 1 227 . 1 1 21 21 GLY HA2 H 1 3.526 0.015 . 1 . . . . 95 GLY HA2 . 15616 1 228 . 1 1 21 21 GLY HA3 H 1 4.358 0.015 . 1 . . . . 95 GLY HA3 . 15616 1 229 . 1 1 21 21 GLY C C 13 174.692 0.25 . 1 . . . . 95 GLY C . 15616 1 230 . 1 1 21 21 GLY CA C 13 44.925 0.25 . 1 . . . . 95 GLY CA . 15616 1 231 . 1 1 21 21 GLY N N 15 107.977 0.25 . 1 . . . . 95 GLY N . 15616 1 232 . 1 1 22 22 THR H H 1 8.085 0.015 . 1 . . . . 96 THR H . 15616 1 233 . 1 1 22 22 THR HA H 1 4.196 0.015 . 1 . . . . 96 THR HA . 15616 1 234 . 1 1 22 22 THR HB H 1 4.104 0.015 . 1 . . . . 96 THR HB . 15616 1 235 . 1 1 22 22 THR HG21 H 1 1.113 0.015 . 1 . . . . 96 THR HG21 . 15616 1 236 . 1 1 22 22 THR HG22 H 1 1.113 0.015 . 1 . . . . 96 THR HG22 . 15616 1 237 . 1 1 22 22 THR HG23 H 1 1.113 0.015 . 1 . . . . 96 THR HG23 . 15616 1 238 . 1 1 22 22 THR C C 13 173.006 0.25 . 1 . . . . 96 THR C . 15616 1 239 . 1 1 22 22 THR CA C 13 62.517 0.25 . 1 . . . . 96 THR CA . 15616 1 240 . 1 1 22 22 THR CB C 13 69.964 0.25 . 1 . . . . 96 THR CB . 15616 1 241 . 1 1 22 22 THR CG2 C 13 21.423 0.25 . 1 . . . . 96 THR CG2 . 15616 1 242 . 1 1 22 22 THR N N 15 115.951 0.25 . 1 . . . . 96 THR N . 15616 1 243 . 1 1 23 23 VAL H H 1 8.413 0.015 . 1 . . . . 97 VAL H . 15616 1 244 . 1 1 23 23 VAL HA H 1 4.887 0.015 . 1 . . . . 97 VAL HA . 15616 1 245 . 1 1 23 23 VAL HB H 1 1.847 0.015 . 1 . . . . 97 VAL HB . 15616 1 246 . 1 1 23 23 VAL HG11 H 1 0.732 0.015 . 1 . . . . 97 VAL HG11 . 15616 1 247 . 1 1 23 23 VAL HG12 H 1 0.732 0.015 . 1 . . . . 97 VAL HG12 . 15616 1 248 . 1 1 23 23 VAL HG13 H 1 0.732 0.015 . 1 . . . . 97 VAL HG13 . 15616 1 249 . 1 1 23 23 VAL HG21 H 1 0.857 0.015 . 1 . . . . 97 VAL HG21 . 15616 1 250 . 1 1 23 23 VAL HG22 H 1 0.857 0.015 . 1 . . . . 97 VAL HG22 . 15616 1 251 . 1 1 23 23 VAL HG23 H 1 0.857 0.015 . 1 . . . . 97 VAL HG23 . 15616 1 252 . 1 1 23 23 VAL C C 13 176.193 0.25 . 1 . . . . 97 VAL C . 15616 1 253 . 1 1 23 23 VAL CA C 13 61.147 0.25 . 1 . . . . 97 VAL CA . 15616 1 254 . 1 1 23 23 VAL CB C 13 32.988 0.25 . 1 . . . . 97 VAL CB . 15616 1 255 . 1 1 23 23 VAL CG1 C 13 21.046 0.25 . 1 . . . . 97 VAL CG1 . 15616 1 256 . 1 1 23 23 VAL CG2 C 13 21.412 0.25 . 1 . . . . 97 VAL CG2 . 15616 1 257 . 1 1 23 23 VAL N N 15 121.679 0.25 . 1 . . . . 97 VAL N . 15616 1 258 . 1 1 24 24 LYS H H 1 9.162 0.015 . 1 . . . . 98 LYS H . 15616 1 259 . 1 1 24 24 LYS HA H 1 4.647 0.015 . 1 . . . . 98 LYS HA . 15616 1 260 . 1 1 24 24 LYS HB2 H 1 1.556 0.015 . 1 . . . . 98 LYS HB2 . 15616 1 261 . 1 1 24 24 LYS HB3 H 1 1.687 0.015 . 1 . . . . 98 LYS HB3 . 15616 1 262 . 1 1 24 24 LYS HD2 H 1 1.622 0.015 . 1 . . . . 98 LYS HD2 . 15616 1 263 . 1 1 24 24 LYS HD3 H 1 1.622 0.015 . 1 . . . . 98 LYS HD3 . 15616 1 264 . 1 1 24 24 LYS HE2 H 1 2.936 0.015 . 1 . . . . 98 LYS HE2 . 15616 1 265 . 1 1 24 24 LYS HE3 H 1 2.936 0.015 . 1 . . . . 98 LYS HE3 . 15616 1 266 . 1 1 24 24 LYS HG2 H 1 1.364 0.015 . 1 . . . . 98 LYS HG2 . 15616 1 267 . 1 1 24 24 LYS HG3 H 1 1.327 0.015 . 1 . . . . 98 LYS HG3 . 15616 1 268 . 1 1 24 24 LYS C C 13 174.630 0.25 . 1 . . . . 98 LYS C . 15616 1 269 . 1 1 24 24 LYS CA C 13 53.684 0.25 . 1 . . . . 98 LYS CA . 15616 1 270 . 1 1 24 24 LYS CB C 13 35.607 0.25 . 1 . . . . 98 LYS CB . 15616 1 271 . 1 1 24 24 LYS CD C 13 28.645 0.25 . 1 . . . . 98 LYS CD . 15616 1 272 . 1 1 24 24 LYS CE C 13 41.784 0.25 . 1 . . . . 98 LYS CE . 15616 1 273 . 1 1 24 24 LYS CG C 13 24.698 0.25 . 1 . . . . 98 LYS CG . 15616 1 274 . 1 1 24 24 LYS N N 15 128.879 0.25 . 1 . . . . 98 LYS N . 15616 1 275 . 1 1 25 25 THR H H 1 8.417 0.015 . 1 . . . . 99 THR H . 15616 1 276 . 1 1 25 25 THR HA H 1 5.029 0.015 . 1 . . . . 99 THR HA . 15616 1 277 . 1 1 25 25 THR HB H 1 3.865 0.015 . 1 . . . . 99 THR HB . 15616 1 278 . 1 1 25 25 THR HG21 H 1 0.945 0.015 . 1 . . . . 99 THR HG21 . 15616 1 279 . 1 1 25 25 THR HG22 H 1 0.945 0.015 . 1 . . . . 99 THR HG22 . 15616 1 280 . 1 1 25 25 THR HG23 H 1 0.945 0.015 . 1 . . . . 99 THR HG23 . 15616 1 281 . 1 1 25 25 THR C C 13 174.286 0.25 . 1 . . . . 99 THR C . 15616 1 282 . 1 1 25 25 THR CA C 13 61.774 0.25 . 1 . . . . 99 THR CA . 15616 1 283 . 1 1 25 25 THR CB C 13 68.853 0.25 . 1 . . . . 99 THR CB . 15616 1 284 . 1 1 25 25 THR CG2 C 13 21.525 0.25 . 1 . . . . 99 THR CG2 . 15616 1 285 . 1 1 25 25 THR N N 15 118.333 0.25 . 1 . . . . 99 THR N . 15616 1 286 . 1 1 26 26 ILE H H 1 9.162 0.015 . 1 . . . . 100 ILE H . 15616 1 287 . 1 1 26 26 ILE HA H 1 4.346 0.015 . 1 . . . . 100 ILE HA . 15616 1 288 . 1 1 26 26 ILE HB H 1 1.613 0.015 . 1 . . . . 100 ILE HB . 15616 1 289 . 1 1 26 26 ILE HD11 H 1 0.677 0.015 . 1 . . . . 100 ILE HD11 . 15616 1 290 . 1 1 26 26 ILE HD12 H 1 0.677 0.015 . 1 . . . . 100 ILE HD12 . 15616 1 291 . 1 1 26 26 ILE HD13 H 1 0.677 0.015 . 1 . . . . 100 ILE HD13 . 15616 1 292 . 1 1 26 26 ILE HG12 H 1 1.314 0.015 . 1 . . . . 100 ILE HG12 . 15616 1 293 . 1 1 26 26 ILE HG13 H 1 1.073 0.015 . 1 . . . . 100 ILE HG13 . 15616 1 294 . 1 1 26 26 ILE HG21 H 1 0.740 0.015 . 1 . . . . 100 ILE HG21 . 15616 1 295 . 1 1 26 26 ILE HG22 H 1 0.740 0.015 . 1 . . . . 100 ILE HG22 . 15616 1 296 . 1 1 26 26 ILE HG23 H 1 0.740 0.015 . 1 . . . . 100 ILE HG23 . 15616 1 297 . 1 1 26 26 ILE C C 13 174.465 0.25 . 1 . . . . 100 ILE C . 15616 1 298 . 1 1 26 26 ILE CA C 13 58.654 0.25 . 1 . . . . 100 ILE CA . 15616 1 299 . 1 1 26 26 ILE CB C 13 40.906 0.25 . 1 . . . . 100 ILE CB . 15616 1 300 . 1 1 26 26 ILE CD1 C 13 13.357 0.25 . 1 . . . . 100 ILE CD1 . 15616 1 301 . 1 1 26 26 ILE CG1 C 13 26.953 0.25 . 1 . . . . 100 ILE CG1 . 15616 1 302 . 1 1 26 26 ILE CG2 C 13 17.094 0.25 . 1 . . . . 100 ILE CG2 . 15616 1 303 . 1 1 26 26 ILE N N 15 127.870 0.25 . 1 . . . . 100 ILE N . 15616 1 304 . 1 1 27 27 MET H H 1 8.402 0.015 . 1 . . . . 101 MET H . 15616 1 305 . 1 1 27 27 MET HA H 1 4.917 0.015 . 1 . . . . 101 MET HA . 15616 1 306 . 1 1 27 27 MET HB2 H 1 1.945 0.015 . 1 . . . . 101 MET HB2 . 15616 1 307 . 1 1 27 27 MET HB3 H 1 1.612 0.015 . 1 . . . . 101 MET HB3 . 15616 1 308 . 1 1 27 27 MET HE1 H 1 1.826 0.015 . 1 . . . . 101 MET HE1 . 15616 1 309 . 1 1 27 27 MET HE2 H 1 1.826 0.015 . 1 . . . . 101 MET HE2 . 15616 1 310 . 1 1 27 27 MET HE3 H 1 1.826 0.015 . 1 . . . . 101 MET HE3 . 15616 1 311 . 1 1 27 27 MET HG2 H 1 2.493 0.015 . 1 . . . . 101 MET HG2 . 15616 1 312 . 1 1 27 27 MET HG3 H 1 2.562 0.015 . 1 . . . . 101 MET HG3 . 15616 1 313 . 1 1 27 27 MET C C 13 176.043 0.25 . 1 . . . . 101 MET C . 15616 1 314 . 1 1 27 27 MET CA C 13 53.607 0.25 . 1 . . . . 101 MET CA . 15616 1 315 . 1 1 27 27 MET CB C 13 30.487 0.25 . 1 . . . . 101 MET CB . 15616 1 316 . 1 1 27 27 MET CE C 13 15.991 0.25 . 1 . . . . 101 MET CE . 15616 1 317 . 1 1 27 27 MET CG C 13 31.770 0.25 . 1 . . . . 101 MET CG . 15616 1 318 . 1 1 27 27 MET N N 15 124.368 0.25 . 1 . . . . 101 MET N . 15616 1 319 . 1 1 28 28 VAL H H 1 8.901 0.015 . 1 . . . . 102 VAL H . 15616 1 320 . 1 1 28 28 VAL HA H 1 4.683 0.015 . 1 . . . . 102 VAL HA . 15616 1 321 . 1 1 28 28 VAL HB H 1 1.984 0.015 . 1 . . . . 102 VAL HB . 15616 1 322 . 1 1 28 28 VAL HG11 H 1 0.792 0.015 . 1 . . . . 102 VAL HG11 . 15616 1 323 . 1 1 28 28 VAL HG12 H 1 0.792 0.015 . 1 . . . . 102 VAL HG12 . 15616 1 324 . 1 1 28 28 VAL HG13 H 1 0.792 0.015 . 1 . . . . 102 VAL HG13 . 15616 1 325 . 1 1 28 28 VAL HG21 H 1 0.805 0.015 . 1 . . . . 102 VAL HG21 . 15616 1 326 . 1 1 28 28 VAL HG22 H 1 0.805 0.015 . 1 . . . . 102 VAL HG22 . 15616 1 327 . 1 1 28 28 VAL HG23 H 1 0.805 0.015 . 1 . . . . 102 VAL HG23 . 15616 1 328 . 1 1 28 28 VAL C C 13 173.267 0.25 . 1 . . . . 102 VAL C . 15616 1 329 . 1 1 28 28 VAL CA C 13 58.586 0.25 . 1 . . . . 102 VAL CA . 15616 1 330 . 1 1 28 28 VAL CB C 13 35.835 0.25 . 1 . . . . 102 VAL CB . 15616 1 331 . 1 1 28 28 VAL CG1 C 13 21.009 0.25 . 1 . . . . 102 VAL CG1 . 15616 1 332 . 1 1 28 28 VAL CG2 C 13 18.480 0.25 . 1 . . . . 102 VAL CG2 . 15616 1 333 . 1 1 28 28 VAL N N 15 117.476 0.25 . 1 . . . . 102 VAL N . 15616 1 334 . 1 1 29 29 ASP H H 1 8.177 0.015 . 1 . . . . 103 ASP H . 15616 1 335 . 1 1 29 29 ASP HA H 1 5.008 0.015 . 1 . . . . 103 ASP HA . 15616 1 336 . 1 1 29 29 ASP HB2 H 1 2.506 0.015 . 1 . . . . 103 ASP HB2 . 15616 1 337 . 1 1 29 29 ASP HB3 H 1 2.825 0.015 . 1 . . . . 103 ASP HB3 . 15616 1 338 . 1 1 29 29 ASP C C 13 177.308 0.25 . 1 . . . . 103 ASP C . 15616 1 339 . 1 1 29 29 ASP CA C 13 52.102 0.25 . 1 . . . . 103 ASP CA . 15616 1 340 . 1 1 29 29 ASP CB C 13 41.152 0.25 . 1 . . . . 103 ASP CB . 15616 1 341 . 1 1 29 29 ASP N N 15 120.823 0.25 . 1 . . . . 103 ASP N . 15616 1 342 . 1 1 30 30 ASP H H 1 8.800 0.015 . 1 . . . . 104 ASP H . 15616 1 343 . 1 1 30 30 ASP HA H 1 4.554 0.015 . 1 . . . . 104 ASP HA . 15616 1 344 . 1 1 30 30 ASP HB2 H 1 2.402 0.015 . 1 . . . . 104 ASP HB2 . 15616 1 345 . 1 1 30 30 ASP HB3 H 1 2.990 0.015 . 1 . . . . 104 ASP HB3 . 15616 1 346 . 1 1 30 30 ASP C C 13 177.010 0.25 . 1 . . . . 104 ASP C . 15616 1 347 . 1 1 30 30 ASP CA C 13 54.568 0.25 . 1 . . . . 104 ASP CA . 15616 1 348 . 1 1 30 30 ASP CB C 13 40.623 0.25 . 1 . . . . 104 ASP CB . 15616 1 349 . 1 1 30 30 ASP N N 15 124.201 0.25 . 1 . . . . 104 ASP N . 15616 1 350 . 1 1 31 31 SER H H 1 8.857 0.015 . 1 . . . . 105 SER H . 15616 1 351 . 1 1 31 31 SER HA H 1 4.465 0.015 . 1 . . . . 105 SER HA . 15616 1 352 . 1 1 31 31 SER HB2 H 1 3.749 0.015 . 1 . . . . 105 SER HB2 . 15616 1 353 . 1 1 31 31 SER HB3 H 1 3.959 0.015 . 1 . . . . 105 SER HB3 . 15616 1 354 . 1 1 31 31 SER C C 13 174.588 0.25 . 1 . . . . 105 SER C . 15616 1 355 . 1 1 31 31 SER CA C 13 59.062 0.25 . 1 . . . . 105 SER CA . 15616 1 356 . 1 1 31 31 SER CB C 13 63.856 0.25 . 1 . . . . 105 SER CB . 15616 1 357 . 1 1 31 31 SER N N 15 114.905 0.25 . 1 . . . . 105 SER N . 15616 1 358 . 1 1 32 32 LYS H H 1 7.276 0.015 . 1 . . . . 106 LYS H . 15616 1 359 . 1 1 32 32 LYS HA H 1 4.534 0.015 . 1 . . . . 106 LYS HA . 15616 1 360 . 1 1 32 32 LYS HB2 H 1 1.833 0.015 . 1 . . . . 106 LYS HB2 . 15616 1 361 . 1 1 32 32 LYS HB3 H 1 1.833 0.015 . 1 . . . . 106 LYS HB3 . 15616 1 362 . 1 1 32 32 LYS HD2 H 1 1.646 0.015 . 1 . . . . 106 LYS HD2 . 15616 1 363 . 1 1 32 32 LYS HD3 H 1 1.646 0.015 . 1 . . . . 106 LYS HD3 . 15616 1 364 . 1 1 32 32 LYS HE2 H 1 2.881 0.015 . 1 . . . . 106 LYS HE2 . 15616 1 365 . 1 1 32 32 LYS HE3 H 1 2.973 0.015 . 1 . . . . 106 LYS HE3 . 15616 1 366 . 1 1 32 32 LYS HG2 H 1 1.335 0.015 . 1 . . . . 106 LYS HG2 . 15616 1 367 . 1 1 32 32 LYS HG3 H 1 1.471 0.015 . 1 . . . . 106 LYS HG3 . 15616 1 368 . 1 1 32 32 LYS C C 13 176.320 0.25 . 1 . . . . 106 LYS C . 15616 1 369 . 1 1 32 32 LYS CA C 13 54.018 0.25 . 1 . . . . 106 LYS CA . 15616 1 370 . 1 1 32 32 LYS CB C 13 33.389 0.25 . 1 . . . . 106 LYS CB . 15616 1 371 . 1 1 32 32 LYS CD C 13 28.555 0.25 . 1 . . . . 106 LYS CD . 15616 1 372 . 1 1 32 32 LYS CE C 13 42.163 0.25 . 1 . . . . 106 LYS CE . 15616 1 373 . 1 1 32 32 LYS CG C 13 25.059 0.25 . 1 . . . . 106 LYS CG . 15616 1 374 . 1 1 32 32 LYS N N 15 121.578 0.25 . 1 . . . . 106 LYS N . 15616 1 375 . 1 1 33 33 THR H H 1 8.632 0.015 . 1 . . . . 107 THR H . 15616 1 376 . 1 1 33 33 THR HA H 1 3.708 0.015 . 1 . . . . 107 THR HA . 15616 1 377 . 1 1 33 33 THR HB H 1 4.479 0.015 . 1 . . . . 107 THR HB . 15616 1 378 . 1 1 33 33 THR HG21 H 1 1.217 0.015 . 1 . . . . 107 THR HG21 . 15616 1 379 . 1 1 33 33 THR HG22 H 1 1.217 0.015 . 1 . . . . 107 THR HG22 . 15616 1 380 . 1 1 33 33 THR HG23 H 1 1.217 0.015 . 1 . . . . 107 THR HG23 . 15616 1 381 . 1 1 33 33 THR C C 13 175.328 0.25 . 1 . . . . 107 THR C . 15616 1 382 . 1 1 33 33 THR CA C 13 61.536 0.25 . 1 . . . . 107 THR CA . 15616 1 383 . 1 1 33 33 THR CB C 13 70.484 0.25 . 1 . . . . 107 THR CB . 15616 1 384 . 1 1 33 33 THR CG2 C 13 22.159 0.25 . 1 . . . . 107 THR CG2 . 15616 1 385 . 1 1 33 33 THR N N 15 109.542 0.25 . 1 . . . . 107 THR N . 15616 1 386 . 1 1 34 34 VAL H H 1 7.774 0.015 . 1 . . . . 108 VAL H . 15616 1 387 . 1 1 34 34 VAL HA H 1 3.553 0.015 . 1 . . . . 108 VAL HA . 15616 1 388 . 1 1 34 34 VAL HB H 1 2.353 0.015 . 1 . . . . 108 VAL HB . 15616 1 389 . 1 1 34 34 VAL HG11 H 1 0.561 0.015 . 1 . . . . 108 VAL HG11 . 15616 1 390 . 1 1 34 34 VAL HG12 H 1 0.561 0.015 . 1 . . . . 108 VAL HG12 . 15616 1 391 . 1 1 34 34 VAL HG13 H 1 0.561 0.015 . 1 . . . . 108 VAL HG13 . 15616 1 392 . 1 1 34 34 VAL HG21 H 1 0.958 0.015 . 1 . . . . 108 VAL HG21 . 15616 1 393 . 1 1 34 34 VAL HG22 H 1 0.958 0.015 . 1 . . . . 108 VAL HG22 . 15616 1 394 . 1 1 34 34 VAL HG23 H 1 0.958 0.015 . 1 . . . . 108 VAL HG23 . 15616 1 395 . 1 1 34 34 VAL C C 13 177.404 0.25 . 1 . . . . 108 VAL C . 15616 1 396 . 1 1 34 34 VAL CA C 13 67.062 0.25 . 1 . . . . 108 VAL CA . 15616 1 397 . 1 1 34 34 VAL CB C 13 31.126 0.25 . 1 . . . . 108 VAL CB . 15616 1 398 . 1 1 34 34 VAL CG1 C 13 21.309 0.25 . 1 . . . . 108 VAL CG1 . 15616 1 399 . 1 1 34 34 VAL CG2 C 13 24.486 0.25 . 1 . . . . 108 VAL CG2 . 15616 1 400 . 1 1 34 34 VAL N N 15 121.400 0.25 . 1 . . . . 108 VAL N . 15616 1 401 . 1 1 35 35 THR H H 1 8.728 0.015 . 1 . . . . 109 THR H . 15616 1 402 . 1 1 35 35 THR HA H 1 3.808 0.015 . 1 . . . . 109 THR HA . 15616 1 403 . 1 1 35 35 THR HB H 1 4.042 0.015 . 1 . . . . 109 THR HB . 15616 1 404 . 1 1 35 35 THR HG21 H 1 1.254 0.015 . 1 . . . . 109 THR HG21 . 15616 1 405 . 1 1 35 35 THR HG22 H 1 1.254 0.015 . 1 . . . . 109 THR HG22 . 15616 1 406 . 1 1 35 35 THR HG23 H 1 1.254 0.015 . 1 . . . . 109 THR HG23 . 15616 1 407 . 1 1 35 35 THR C C 13 175.285 0.25 . 1 . . . . 109 THR C . 15616 1 408 . 1 1 35 35 THR CA C 13 67.306 0.25 . 1 . . . . 109 THR CA . 15616 1 409 . 1 1 35 35 THR CB C 13 69.150 0.25 . 1 . . . . 109 THR CB . 15616 1 410 . 1 1 35 35 THR CG2 C 13 21.323 0.25 . 1 . . . . 109 THR CG2 . 15616 1 411 . 1 1 35 35 THR N N 15 116.551 0.25 . 1 . . . . 109 THR N . 15616 1 412 . 1 1 36 36 ASP H H 1 7.144 0.015 . 1 . . . . 110 ASP H . 15616 1 413 . 1 1 36 36 ASP HA H 1 4.382 0.015 . 1 . . . . 110 ASP HA . 15616 1 414 . 1 1 36 36 ASP HB2 H 1 2.642 0.015 . 1 . . . . 110 ASP HB2 . 15616 1 415 . 1 1 36 36 ASP HB3 H 1 2.720 0.015 . 1 . . . . 110 ASP HB3 . 15616 1 416 . 1 1 36 36 ASP C C 13 179.151 0.25 . 1 . . . . 110 ASP C . 15616 1 417 . 1 1 36 36 ASP CA C 13 57.136 0.25 . 1 . . . . 110 ASP CA . 15616 1 418 . 1 1 36 36 ASP CB C 13 40.815 0.25 . 1 . . . . 110 ASP CB . 15616 1 419 . 1 1 36 36 ASP N N 15 121.723 0.25 . 1 . . . . 110 ASP N . 15616 1 420 . 1 1 37 37 MET H H 1 8.531 0.015 . 1 . . . . 111 MET H . 15616 1 421 . 1 1 37 37 MET HA H 1 4.031 0.015 . 1 . . . . 111 MET HA . 15616 1 422 . 1 1 37 37 MET HB2 H 1 1.892 0.015 . 1 . . . . 111 MET HB2 . 15616 1 423 . 1 1 37 37 MET HB3 H 1 2.075 0.015 . 1 . . . . 111 MET HB3 . 15616 1 424 . 1 1 37 37 MET HE1 H 1 1.917 0.015 . 1 . . . . 111 MET HE1 . 15616 1 425 . 1 1 37 37 MET HE2 H 1 1.917 0.015 . 1 . . . . 111 MET HE2 . 15616 1 426 . 1 1 37 37 MET HE3 H 1 1.917 0.015 . 1 . . . . 111 MET HE3 . 15616 1 427 . 1 1 37 37 MET HG2 H 1 2.274 0.015 . 1 . . . . 111 MET HG2 . 15616 1 428 . 1 1 37 37 MET HG3 H 1 2.515 0.015 . 1 . . . . 111 MET HG3 . 15616 1 429 . 1 1 37 37 MET C C 13 178.529 0.25 . 1 . . . . 111 MET C . 15616 1 430 . 1 1 37 37 MET CA C 13 58.786 0.25 . 1 . . . . 111 MET CA . 15616 1 431 . 1 1 37 37 MET CB C 13 33.354 0.25 . 1 . . . . 111 MET CB . 15616 1 432 . 1 1 37 37 MET CE C 13 17.433 0.25 . 1 . . . . 111 MET CE . 15616 1 433 . 1 1 37 37 MET CG C 13 31.521 0.25 . 1 . . . . 111 MET CG . 15616 1 434 . 1 1 37 37 MET N N 15 121.131 0.25 . 1 . . . . 111 MET N . 15616 1 435 . 1 1 38 38 LEU H H 1 8.838 0.015 . 1 . . . . 112 LEU H . 15616 1 436 . 1 1 38 38 LEU HA H 1 3.887 0.015 . 1 . . . . 112 LEU HA . 15616 1 437 . 1 1 38 38 LEU HB2 H 1 1.638 0.015 . 1 . . . . 112 LEU HB2 . 15616 1 438 . 1 1 38 38 LEU HB3 H 1 1.841 0.015 . 1 . . . . 112 LEU HB3 . 15616 1 439 . 1 1 38 38 LEU HD11 H 1 0.726 0.015 . 1 . . . . 112 LEU HD11 . 15616 1 440 . 1 1 38 38 LEU HD12 H 1 0.726 0.015 . 1 . . . . 112 LEU HD12 . 15616 1 441 . 1 1 38 38 LEU HD13 H 1 0.726 0.015 . 1 . . . . 112 LEU HD13 . 15616 1 442 . 1 1 38 38 LEU HD21 H 1 0.781 0.015 . 1 . . . . 112 LEU HD21 . 15616 1 443 . 1 1 38 38 LEU HD22 H 1 0.781 0.015 . 1 . . . . 112 LEU HD22 . 15616 1 444 . 1 1 38 38 LEU HD23 H 1 0.781 0.015 . 1 . . . . 112 LEU HD23 . 15616 1 445 . 1 1 38 38 LEU HG H 1 1.549 0.015 . 1 . . . . 112 LEU HG . 15616 1 446 . 1 1 38 38 LEU C C 13 178.859 0.25 . 1 . . . . 112 LEU C . 15616 1 447 . 1 1 38 38 LEU CA C 13 57.750 0.25 . 1 . . . . 112 LEU CA . 15616 1 448 . 1 1 38 38 LEU CB C 13 41.888 0.25 . 1 . . . . 112 LEU CB . 15616 1 449 . 1 1 38 38 LEU CD1 C 13 25.254 0.25 . 1 . . . . 112 LEU CD1 . 15616 1 450 . 1 1 38 38 LEU CD2 C 13 24.520 0.25 . 1 . . . . 112 LEU CD2 . 15616 1 451 . 1 1 38 38 LEU CG C 13 27.806 0.25 . 1 . . . . 112 LEU CG . 15616 1 452 . 1 1 38 38 LEU N N 15 120.392 0.25 . 1 . . . . 112 LEU N . 15616 1 453 . 1 1 39 39 MET H H 1 7.634 0.015 . 1 . . . . 113 MET H . 15616 1 454 . 1 1 39 39 MET HA H 1 3.601 0.015 . 1 . . . . 113 MET HA . 15616 1 455 . 1 1 39 39 MET HB2 H 1 1.946 0.015 . 1 . . . . 113 MET HB2 . 15616 1 456 . 1 1 39 39 MET HB3 H 1 1.946 0.015 . 1 . . . . 113 MET HB3 . 15616 1 457 . 1 1 39 39 MET HG2 H 1 2.325 0.015 . 1 . . . . 113 MET HG2 . 15616 1 458 . 1 1 39 39 MET HG3 H 1 1.798 0.015 . 1 . . . . 113 MET HG3 . 15616 1 459 . 1 1 39 39 MET C C 13 178.567 0.25 . 1 . . . . 113 MET C . 15616 1 460 . 1 1 39 39 MET CA C 13 59.677 0.25 . 1 . . . . 113 MET CA . 15616 1 461 . 1 1 39 39 MET CB C 13 31.850 0.25 . 1 . . . . 113 MET CB . 15616 1 462 . 1 1 39 39 MET CG C 13 31.253 0.25 . 1 . . . . 113 MET CG . 15616 1 463 . 1 1 39 39 MET N N 15 118.335 0.25 . 1 . . . . 113 MET N . 15616 1 464 . 1 1 40 40 THR H H 1 7.464 0.015 . 1 . . . . 114 THR H . 15616 1 465 . 1 1 40 40 THR HA H 1 3.917 0.015 . 1 . . . . 114 THR HA . 15616 1 466 . 1 1 40 40 THR HB H 1 4.283 0.015 . 1 . . . . 114 THR HB . 15616 1 467 . 1 1 40 40 THR HG21 H 1 1.233 0.015 . 1 . . . . 114 THR HG21 . 15616 1 468 . 1 1 40 40 THR HG22 H 1 1.233 0.015 . 1 . . . . 114 THR HG22 . 15616 1 469 . 1 1 40 40 THR HG23 H 1 1.233 0.015 . 1 . . . . 114 THR HG23 . 15616 1 470 . 1 1 40 40 THR C C 13 178.703 0.25 . 1 . . . . 114 THR C . 15616 1 471 . 1 1 40 40 THR CA C 13 66.225 0.25 . 1 . . . . 114 THR CA . 15616 1 472 . 1 1 40 40 THR CB C 13 68.642 0.25 . 1 . . . . 114 THR CB . 15616 1 473 . 1 1 40 40 THR CG2 C 13 21.466 0.25 . 1 . . . . 114 THR CG2 . 15616 1 474 . 1 1 40 40 THR N N 15 116.316 0.25 . 1 . . . . 114 THR N . 15616 1 475 . 1 1 41 41 ILE H H 1 8.498 0.015 . 1 . . . . 115 ILE H . 15616 1 476 . 1 1 41 41 ILE HA H 1 3.442 0.015 . 1 . . . . 115 ILE HA . 15616 1 477 . 1 1 41 41 ILE HB H 1 1.769 0.015 . 1 . . . . 115 ILE HB . 15616 1 478 . 1 1 41 41 ILE HD11 H 1 0.696 0.015 . 1 . . . . 115 ILE HD11 . 15616 1 479 . 1 1 41 41 ILE HD12 H 1 0.696 0.015 . 1 . . . . 115 ILE HD12 . 15616 1 480 . 1 1 41 41 ILE HD13 H 1 0.696 0.015 . 1 . . . . 115 ILE HD13 . 15616 1 481 . 1 1 41 41 ILE HG12 H 1 0.831 0.015 . 1 . . . . 115 ILE HG12 . 15616 1 482 . 1 1 41 41 ILE HG13 H 1 0.831 0.015 . 1 . . . . 115 ILE HG13 . 15616 1 483 . 1 1 41 41 ILE HG21 H 1 0.775 0.015 . 1 . . . . 115 ILE HG21 . 15616 1 484 . 1 1 41 41 ILE HG22 H 1 0.775 0.015 . 1 . . . . 115 ILE HG22 . 15616 1 485 . 1 1 41 41 ILE HG23 H 1 0.775 0.015 . 1 . . . . 115 ILE HG23 . 15616 1 486 . 1 1 41 41 ILE C C 13 177.313 0.25 . 1 . . . . 115 ILE C . 15616 1 487 . 1 1 41 41 ILE CA C 13 65.309 0.25 . 1 . . . . 115 ILE CA . 15616 1 488 . 1 1 41 41 ILE CB C 13 38.810 0.25 . 1 . . . . 115 ILE CB . 15616 1 489 . 1 1 41 41 ILE CD1 C 13 14.565 0.25 . 1 . . . . 115 ILE CD1 . 15616 1 490 . 1 1 41 41 ILE CG1 C 13 28.586 0.25 . 1 . . . . 115 ILE CG1 . 15616 1 491 . 1 1 41 41 ILE CG2 C 13 16.857 0.25 . 1 . . . . 115 ILE CG2 . 15616 1 492 . 1 1 41 41 ILE N N 15 121.113 0.25 . 1 . . . . 115 ILE N . 15616 1 493 . 1 1 42 42 CYS H H 1 8.393 0.015 . 1 . . . . 116 CYS H . 15616 1 494 . 1 1 42 42 CYS HA H 1 3.793 0.015 . 1 . . . . 116 CYS HA . 15616 1 495 . 1 1 42 42 CYS HB2 H 1 2.863 0.015 . 1 . . . . 116 CYS HB2 . 15616 1 496 . 1 1 42 42 CYS HB3 H 1 3.031 0.015 . 1 . . . . 116 CYS HB3 . 15616 1 497 . 1 1 42 42 CYS C C 13 176.614 0.25 . 1 . . . . 116 CYS C . 15616 1 498 . 1 1 42 42 CYS CA C 13 65.188 0.25 . 1 . . . . 116 CYS CA . 15616 1 499 . 1 1 42 42 CYS CB C 13 26.045 0.25 . 1 . . . . 116 CYS CB . 15616 1 500 . 1 1 42 42 CYS N N 15 115.058 0.25 . 1 . . . . 116 CYS N . 15616 1 501 . 1 1 43 43 ALA H H 1 7.782 0.015 . 1 . . . . 117 ALA H . 15616 1 502 . 1 1 43 43 ALA HA H 1 4.112 0.015 . 1 . . . . 117 ALA HA . 15616 1 503 . 1 1 43 43 ALA HB1 H 1 1.471 0.015 . 1 . . . . 117 ALA HB1 . 15616 1 504 . 1 1 43 43 ALA HB2 H 1 1.471 0.015 . 1 . . . . 117 ALA HB2 . 15616 1 505 . 1 1 43 43 ALA HB3 H 1 1.471 0.015 . 1 . . . . 117 ALA HB3 . 15616 1 506 . 1 1 43 43 ALA C C 13 180.659 0.25 . 1 . . . . 117 ALA C . 15616 1 507 . 1 1 43 43 ALA CA C 13 54.692 0.25 . 1 . . . . 117 ALA CA . 15616 1 508 . 1 1 43 43 ALA CB C 13 17.630 0.25 . 1 . . . . 117 ALA CB . 15616 1 509 . 1 1 43 43 ALA N N 15 121.148 0.25 . 1 . . . . 117 ALA N . 15616 1 510 . 1 1 44 44 ARG H H 1 7.669 0.015 . 1 . . . . 118 ARG H . 15616 1 511 . 1 1 44 44 ARG HA H 1 4.146 0.015 . 1 . . . . 118 ARG HA . 15616 1 512 . 1 1 44 44 ARG HB2 H 1 1.940 0.015 . 1 . . . . 118 ARG HB2 . 15616 1 513 . 1 1 44 44 ARG HB3 H 1 1.997 0.015 . 1 . . . . 118 ARG HB3 . 15616 1 514 . 1 1 44 44 ARG HD2 H 1 3.196 0.015 . 1 . . . . 118 ARG HD2 . 15616 1 515 . 1 1 44 44 ARG HD3 H 1 3.196 0.015 . 1 . . . . 118 ARG HD3 . 15616 1 516 . 1 1 44 44 ARG HG2 H 1 1.683 0.015 . 1 . . . . 118 ARG HG2 . 15616 1 517 . 1 1 44 44 ARG HG3 H 1 1.813 0.015 . 1 . . . . 118 ARG HG3 . 15616 1 518 . 1 1 44 44 ARG C C 13 178.151 0.25 . 1 . . . . 118 ARG C . 15616 1 519 . 1 1 44 44 ARG CA C 13 57.299 0.25 . 1 . . . . 118 ARG CA . 15616 1 520 . 1 1 44 44 ARG CB C 13 29.728 0.25 . 1 . . . . 118 ARG CB . 15616 1 521 . 1 1 44 44 ARG CD C 13 42.361 0.25 . 1 . . . . 118 ARG CD . 15616 1 522 . 1 1 44 44 ARG CG C 13 26.602 0.25 . 1 . . . . 118 ARG CG . 15616 1 523 . 1 1 44 44 ARG N N 15 116.471 0.25 . 1 . . . . 118 ARG N . 15616 1 524 . 1 1 45 45 ILE H H 1 7.483 0.015 . 1 . . . . 119 ILE H . 15616 1 525 . 1 1 45 45 ILE HA H 1 4.359 0.015 . 1 . . . . 119 ILE HA . 15616 1 526 . 1 1 45 45 ILE HB H 1 2.006 0.015 . 1 . . . . 119 ILE HB . 15616 1 527 . 1 1 45 45 ILE HD11 H 1 0.632 0.015 . 1 . . . . 119 ILE HD11 . 15616 1 528 . 1 1 45 45 ILE HD12 H 1 0.632 0.015 . 1 . . . . 119 ILE HD12 . 15616 1 529 . 1 1 45 45 ILE HD13 H 1 0.632 0.015 . 1 . . . . 119 ILE HD13 . 15616 1 530 . 1 1 45 45 ILE HG12 H 1 1.294 0.015 . 1 . . . . 119 ILE HG12 . 15616 1 531 . 1 1 45 45 ILE HG13 H 1 1.294 0.015 . 1 . . . . 119 ILE HG13 . 15616 1 532 . 1 1 45 45 ILE HG21 H 1 0.809 0.015 . 1 . . . . 119 ILE HG21 . 15616 1 533 . 1 1 45 45 ILE HG22 H 1 0.809 0.015 . 1 . . . . 119 ILE HG22 . 15616 1 534 . 1 1 45 45 ILE HG23 H 1 0.809 0.015 . 1 . . . . 119 ILE HG23 . 15616 1 535 . 1 1 45 45 ILE C C 13 175.846 0.25 . 1 . . . . 119 ILE C . 15616 1 536 . 1 1 45 45 ILE CA C 13 60.906 0.25 . 1 . . . . 119 ILE CA . 15616 1 537 . 1 1 45 45 ILE CB C 13 37.905 0.25 . 1 . . . . 119 ILE CB . 15616 1 538 . 1 1 45 45 ILE CD1 C 13 14.029 0.25 . 1 . . . . 119 ILE CD1 . 15616 1 539 . 1 1 45 45 ILE CG1 C 13 26.326 0.25 . 1 . . . . 119 ILE CG1 . 15616 1 540 . 1 1 45 45 ILE CG2 C 13 17.050 0.25 . 1 . . . . 119 ILE CG2 . 15616 1 541 . 1 1 45 45 ILE N N 15 111.754 0.25 . 1 . . . . 119 ILE N . 15616 1 542 . 1 1 46 46 GLY H H 1 7.592 0.015 . 1 . . . . 120 GLY H . 15616 1 543 . 1 1 46 46 GLY HA2 H 1 3.713 0.015 . 1 . . . . 120 GLY HA2 . 15616 1 544 . 1 1 46 46 GLY HA3 H 1 4.080 0.015 . 1 . . . . 120 GLY HA3 . 15616 1 545 . 1 1 46 46 GLY C C 13 174.525 0.25 . 1 . . . . 120 GLY C . 15616 1 546 . 1 1 46 46 GLY CA C 13 45.922 0.25 . 1 . . . . 120 GLY CA . 15616 1 547 . 1 1 46 46 GLY N N 15 109.065 0.25 . 1 . . . . 120 GLY N . 15616 1 548 . 1 1 47 47 ILE H H 1 7.954 0.015 . 1 . . . . 121 ILE H . 15616 1 549 . 1 1 47 47 ILE HA H 1 4.156 0.015 . 1 . . . . 121 ILE HA . 15616 1 550 . 1 1 47 47 ILE HB H 1 1.267 0.015 . 1 . . . . 121 ILE HB . 15616 1 551 . 1 1 47 47 ILE HD11 H 1 0.331 0.015 . 1 . . . . 121 ILE HD11 . 15616 1 552 . 1 1 47 47 ILE HD12 H 1 0.331 0.015 . 1 . . . . 121 ILE HD12 . 15616 1 553 . 1 1 47 47 ILE HD13 H 1 0.331 0.015 . 1 . . . . 121 ILE HD13 . 15616 1 554 . 1 1 47 47 ILE HG12 H 1 1.241 0.015 . 1 . . . . 121 ILE HG12 . 15616 1 555 . 1 1 47 47 ILE HG13 H 1 0.860 0.015 . 1 . . . . 121 ILE HG13 . 15616 1 556 . 1 1 47 47 ILE HG21 H 1 0.521 0.015 . 1 . . . . 121 ILE HG21 . 15616 1 557 . 1 1 47 47 ILE HG22 H 1 0.521 0.015 . 1 . . . . 121 ILE HG22 . 15616 1 558 . 1 1 47 47 ILE HG23 H 1 0.521 0.015 . 1 . . . . 121 ILE HG23 . 15616 1 559 . 1 1 47 47 ILE C C 13 176.089 0.25 . 1 . . . . 121 ILE C . 15616 1 560 . 1 1 47 47 ILE CA C 13 60.203 0.25 . 1 . . . . 121 ILE CA . 15616 1 561 . 1 1 47 47 ILE CB C 13 39.542 0.25 . 1 . . . . 121 ILE CB . 15616 1 562 . 1 1 47 47 ILE CD1 C 13 12.902 0.25 . 1 . . . . 121 ILE CD1 . 15616 1 563 . 1 1 47 47 ILE CG1 C 13 27.245 0.25 . 1 . . . . 121 ILE CG1 . 15616 1 564 . 1 1 47 47 ILE CG2 C 13 17.325 0.25 . 1 . . . . 121 ILE CG2 . 15616 1 565 . 1 1 47 47 ILE N N 15 122.022 0.25 . 1 . . . . 121 ILE N . 15616 1 566 . 1 1 48 48 THR H H 1 8.505 0.015 . 1 . . . . 122 THR H . 15616 1 567 . 1 1 48 48 THR HA H 1 4.233 0.015 . 1 . . . . 122 THR HA . 15616 1 568 . 1 1 48 48 THR HB H 1 4.150 0.015 . 1 . . . . 122 THR HB . 15616 1 569 . 1 1 48 48 THR HG21 H 1 1.182 0.015 . 1 . . . . 122 THR HG21 . 15616 1 570 . 1 1 48 48 THR HG22 H 1 1.182 0.015 . 1 . . . . 122 THR HG22 . 15616 1 571 . 1 1 48 48 THR HG23 H 1 1.182 0.015 . 1 . . . . 122 THR HG23 . 15616 1 572 . 1 1 48 48 THR C C 13 175.047 0.25 . 1 . . . . 122 THR C . 15616 1 573 . 1 1 48 48 THR CA C 13 63.049 0.25 . 1 . . . . 122 THR CA . 15616 1 574 . 1 1 48 48 THR CB C 13 69.020 0.25 . 1 . . . . 122 THR CB . 15616 1 575 . 1 1 48 48 THR CG2 C 13 21.431 0.25 . 1 . . . . 122 THR CG2 . 15616 1 576 . 1 1 48 48 THR N N 15 119.558 0.25 . 1 . . . . 122 THR N . 15616 1 577 . 1 1 49 49 ASN H H 1 8.736 0.015 . 1 . . . . 123 ASN H . 15616 1 578 . 1 1 49 49 ASN HA H 1 4.941 0.015 . 1 . . . . 123 ASN HA . 15616 1 579 . 1 1 49 49 ASN HB2 H 1 2.737 0.015 . 1 . . . . 123 ASN HB2 . 15616 1 580 . 1 1 49 49 ASN HB3 H 1 2.833 0.015 . 1 . . . . 123 ASN HB3 . 15616 1 581 . 1 1 49 49 ASN HD21 H 1 7.736 0.015 . 1 . . . . 123 ASN HD21 . 15616 1 582 . 1 1 49 49 ASN HD22 H 1 6.681 0.015 . 1 . . . . 123 ASN HD22 . 15616 1 583 . 1 1 49 49 ASN C C 13 175.898 0.25 . 1 . . . . 123 ASN C . 15616 1 584 . 1 1 49 49 ASN CA C 13 52.050 0.25 . 1 . . . . 123 ASN CA . 15616 1 585 . 1 1 49 49 ASN CB C 13 35.347 0.25 . 1 . . . . 123 ASN CB . 15616 1 586 . 1 1 49 49 ASN N N 15 121.071 0.25 . 1 . . . . 123 ASN N . 15616 1 587 . 1 1 49 49 ASN ND2 N 15 111.491 0.25 . 1 . . . . 123 ASN ND2 . 15616 1 588 . 1 1 50 50 HIS HA H 1 4.387 0.015 . 1 . . . . 124 HIS HA . 15616 1 589 . 1 1 50 50 HIS HB2 H 1 3.071 0.015 . 1 . . . . 124 HIS HB2 . 15616 1 590 . 1 1 50 50 HIS HB3 H 1 2.963 0.015 . 1 . . . . 124 HIS HB3 . 15616 1 591 . 1 1 50 50 HIS CA C 13 58.605 0.25 . 1 . . . . 124 HIS CA . 15616 1 592 . 1 1 50 50 HIS CB C 13 30.298 0.25 . 1 . . . . 124 HIS CB . 15616 1 593 . 1 1 51 51 ASP H H 1 8.047 0.015 . 1 . . . . 125 ASP H . 15616 1 594 . 1 1 51 51 ASP HA H 1 4.468 0.015 . 1 . . . . 125 ASP HA . 15616 1 595 . 1 1 51 51 ASP HB2 H 1 2.432 0.015 . 1 . . . . 125 ASP HB2 . 15616 1 596 . 1 1 51 51 ASP HB3 H 1 2.527 0.015 . 1 . . . . 125 ASP HB3 . 15616 1 597 . 1 1 51 51 ASP C C 13 177.122 0.25 . 1 . . . . 125 ASP C . 15616 1 598 . 1 1 51 51 ASP CA C 13 55.189 0.25 . 1 . . . . 125 ASP CA . 15616 1 599 . 1 1 51 51 ASP CB C 13 39.633 0.25 . 1 . . . . 125 ASP CB . 15616 1 600 . 1 1 51 51 ASP N N 15 117.508 0.25 . 1 . . . . 125 ASP N . 15616 1 601 . 1 1 52 52 GLU H H 1 7.710 0.015 . 1 . . . . 126 GLU H . 15616 1 602 . 1 1 52 52 GLU HA H 1 4.230 0.015 . 1 . . . . 126 GLU HA . 15616 1 603 . 1 1 52 52 GLU HB2 H 1 1.866 0.015 . 1 . . . . 126 GLU HB2 . 15616 1 604 . 1 1 52 52 GLU HB3 H 1 2.139 0.015 . 1 . . . . 126 GLU HB3 . 15616 1 605 . 1 1 52 52 GLU C C 13 175.216 0.25 . 1 . . . . 126 GLU C . 15616 1 606 . 1 1 52 52 GLU CA C 13 56.435 0.25 . 1 . . . . 126 GLU CA . 15616 1 607 . 1 1 52 52 GLU CB C 13 29.603 0.25 . 1 . . . . 126 GLU CB . 15616 1 608 . 1 1 52 52 GLU N N 15 116.218 0.25 . 1 . . . . 126 GLU N . 15616 1 609 . 1 1 53 53 TYR H H 1 7.866 0.015 . 1 . . . . 127 TYR H . 15616 1 610 . 1 1 53 53 TYR HA H 1 4.780 0.015 . 1 . . . . 127 TYR HA . 15616 1 611 . 1 1 53 53 TYR HB2 H 1 2.838 0.015 . 1 . . . . 127 TYR HB2 . 15616 1 612 . 1 1 53 53 TYR HB3 H 1 2.838 0.015 . 1 . . . . 127 TYR HB3 . 15616 1 613 . 1 1 53 53 TYR HD1 H 1 6.902 0.015 . 3 . . . . 127 TYR HD1 . 15616 1 614 . 1 1 53 53 TYR HD2 H 1 6.902 0.015 . 3 . . . . 127 TYR HD2 . 15616 1 615 . 1 1 53 53 TYR HE1 H 1 6.672 0.015 . 3 . . . . 127 TYR HE1 . 15616 1 616 . 1 1 53 53 TYR HE2 H 1 6.672 0.015 . 3 . . . . 127 TYR HE2 . 15616 1 617 . 1 1 53 53 TYR C C 13 174.029 0.25 . 1 . . . . 127 TYR C . 15616 1 618 . 1 1 53 53 TYR CA C 13 58.275 0.25 . 1 . . . . 127 TYR CA . 15616 1 619 . 1 1 53 53 TYR CB C 13 42.072 0.25 . 1 . . . . 127 TYR CB . 15616 1 620 . 1 1 53 53 TYR CD1 C 13 132.864 0.25 . 3 . . . . 127 TYR CD1 . 15616 1 621 . 1 1 53 53 TYR CD2 C 13 132.864 0.25 . 3 . . . . 127 TYR CD2 . 15616 1 622 . 1 1 53 53 TYR CE1 C 13 118.159 0.25 . 3 . . . . 127 TYR CE1 . 15616 1 623 . 1 1 53 53 TYR CE2 C 13 118.159 0.25 . 3 . . . . 127 TYR CE2 . 15616 1 624 . 1 1 53 53 TYR N N 15 118.692 0.25 . 1 . . . . 127 TYR N . 15616 1 625 . 1 1 54 54 SER H H 1 8.895 0.015 . 1 . . . . 128 SER H . 15616 1 626 . 1 1 54 54 SER HA H 1 4.631 0.015 . 1 . . . . 128 SER HA . 15616 1 627 . 1 1 54 54 SER HB2 H 1 3.713 0.015 . 1 . . . . 128 SER HB2 . 15616 1 628 . 1 1 54 54 SER HB3 H 1 3.740 0.015 . 1 . . . . 128 SER HB3 . 15616 1 629 . 1 1 54 54 SER C C 13 172.805 0.25 . 1 . . . . 128 SER C . 15616 1 630 . 1 1 54 54 SER CA C 13 56.302 0.25 . 1 . . . . 128 SER CA . 15616 1 631 . 1 1 54 54 SER CB C 13 63.930 0.25 . 1 . . . . 128 SER CB . 15616 1 632 . 1 1 54 54 SER N N 15 112.040 0.25 . 1 . . . . 128 SER N . 15616 1 633 . 1 1 55 55 LEU H H 1 8.845 0.015 . 1 . . . . 129 LEU H . 15616 1 634 . 1 1 55 55 LEU HA H 1 5.636 0.015 . 1 . . . . 129 LEU HA . 15616 1 635 . 1 1 55 55 LEU HB2 H 1 1.498 0.015 . 1 . . . . 129 LEU HB2 . 15616 1 636 . 1 1 55 55 LEU HB3 H 1 1.208 0.015 . 1 . . . . 129 LEU HB3 . 15616 1 637 . 1 1 55 55 LEU HD11 H 1 0.780 0.015 . 1 . . . . 129 LEU HD11 . 15616 1 638 . 1 1 55 55 LEU HD12 H 1 0.780 0.015 . 1 . . . . 129 LEU HD12 . 15616 1 639 . 1 1 55 55 LEU HD13 H 1 0.780 0.015 . 1 . . . . 129 LEU HD13 . 15616 1 640 . 1 1 55 55 LEU HD21 H 1 0.680 0.015 . 1 . . . . 129 LEU HD21 . 15616 1 641 . 1 1 55 55 LEU HD22 H 1 0.680 0.015 . 1 . . . . 129 LEU HD22 . 15616 1 642 . 1 1 55 55 LEU HD23 H 1 0.680 0.015 . 1 . . . . 129 LEU HD23 . 15616 1 643 . 1 1 55 55 LEU C C 13 175.116 0.25 . 1 . . . . 129 LEU C . 15616 1 644 . 1 1 55 55 LEU CA C 13 52.571 0.25 . 1 . . . . 129 LEU CA . 15616 1 645 . 1 1 55 55 LEU CB C 13 46.868 0.25 . 1 . . . . 129 LEU CB . 15616 1 646 . 1 1 55 55 LEU CD1 C 13 23.723 0.25 . 1 . . . . 129 LEU CD1 . 15616 1 647 . 1 1 55 55 LEU CD2 C 13 25.452 0.25 . 1 . . . . 129 LEU CD2 . 15616 1 648 . 1 1 55 55 LEU N N 15 119.442 0.25 . 1 . . . . 129 LEU N . 15616 1 649 . 1 1 56 56 VAL H H 1 8.890 0.015 . 1 . . . . 130 VAL H . 15616 1 650 . 1 1 56 56 VAL HA H 1 4.344 0.015 . 1 . . . . 130 VAL HA . 15616 1 651 . 1 1 56 56 VAL HB H 1 1.631 0.015 . 1 . . . . 130 VAL HB . 15616 1 652 . 1 1 56 56 VAL HG11 H 1 0.142 0.015 . 1 . . . . 130 VAL HG11 . 15616 1 653 . 1 1 56 56 VAL HG12 H 1 0.142 0.015 . 1 . . . . 130 VAL HG12 . 15616 1 654 . 1 1 56 56 VAL HG13 H 1 0.142 0.015 . 1 . . . . 130 VAL HG13 . 15616 1 655 . 1 1 56 56 VAL HG21 H 1 0.467 0.015 . 1 . . . . 130 VAL HG21 . 15616 1 656 . 1 1 56 56 VAL HG22 H 1 0.467 0.015 . 1 . . . . 130 VAL HG22 . 15616 1 657 . 1 1 56 56 VAL HG23 H 1 0.467 0.015 . 1 . . . . 130 VAL HG23 . 15616 1 658 . 1 1 56 56 VAL C C 13 175.074 0.25 . 1 . . . . 130 VAL C . 15616 1 659 . 1 1 56 56 VAL CA C 13 59.521 0.25 . 1 . . . . 130 VAL CA . 15616 1 660 . 1 1 56 56 VAL CB C 13 34.967 0.25 . 1 . . . . 130 VAL CB . 15616 1 661 . 1 1 56 56 VAL CG1 C 13 21.511 0.25 . 1 . . . . 130 VAL CG1 . 15616 1 662 . 1 1 56 56 VAL CG2 C 13 21.522 0.25 . 1 . . . . 130 VAL CG2 . 15616 1 663 . 1 1 56 56 VAL N N 15 119.843 0.25 . 1 . . . . 130 VAL N . 15616 1 664 . 1 1 57 57 ARG H H 1 8.324 0.015 . 1 . . . . 131 ARG H . 15616 1 665 . 1 1 57 57 ARG HA H 1 4.491 0.015 . 1 . . . . 131 ARG HA . 15616 1 666 . 1 1 57 57 ARG HB2 H 1 1.547 0.015 . 1 . . . . 131 ARG HB2 . 15616 1 667 . 1 1 57 57 ARG HB3 H 1 1.975 0.015 . 1 . . . . 131 ARG HB3 . 15616 1 668 . 1 1 57 57 ARG HD2 H 1 3.096 0.015 . 1 . . . . 131 ARG HD2 . 15616 1 669 . 1 1 57 57 ARG HD3 H 1 2.966 0.015 . 1 . . . . 131 ARG HD3 . 15616 1 670 . 1 1 57 57 ARG HE H 1 8.961 0.015 . 1 . . . . 131 ARG HE . 15616 1 671 . 1 1 57 57 ARG HH12 H 1 6.886 0.015 . 1 . . . . 131 ARG HH12 . 15616 1 672 . 1 1 57 57 ARG HH22 H 1 6.886 0.015 . 1 . . . . 131 ARG HH22 . 15616 1 673 . 1 1 57 57 ARG C C 13 175.496 0.25 . 1 . . . . 131 ARG C . 15616 1 674 . 1 1 57 57 ARG CA C 13 55.303 0.25 . 1 . . . . 131 ARG CA . 15616 1 675 . 1 1 57 57 ARG CB C 13 31.922 0.25 . 1 . . . . 131 ARG CB . 15616 1 676 . 1 1 57 57 ARG CD C 13 43.861 0.25 . 1 . . . . 131 ARG CD . 15616 1 677 . 1 1 57 57 ARG N N 15 124.725 0.25 . 1 . . . . 131 ARG N . 15616 1 678 . 1 1 57 57 ARG NE N 15 84.554 0.25 . 1 . . . . 131 ARG NE . 15616 1 679 . 1 1 57 57 ARG NH1 N 15 71.965 0.25 . 1 . . . . 131 ARG NH1 . 15616 1 680 . 1 1 57 57 ARG NH2 N 15 71.965 0.25 . 1 . . . . 131 ARG NH2 . 15616 1 681 . 1 1 58 58 GLU H H 1 8.651 0.015 . 1 . . . . 132 GLU H . 15616 1 682 . 1 1 58 58 GLU HA H 1 4.152 0.015 . 1 . . . . 132 GLU HA . 15616 1 683 . 1 1 58 58 GLU HB2 H 1 1.871 0.015 . 1 . . . . 132 GLU HB2 . 15616 1 684 . 1 1 58 58 GLU HB3 H 1 1.965 0.015 . 1 . . . . 132 GLU HB3 . 15616 1 685 . 1 1 58 58 GLU C C 13 176.093 0.25 . 1 . . . . 132 GLU C . 15616 1 686 . 1 1 58 58 GLU CA C 13 57.127 0.25 . 1 . . . . 132 GLU CA . 15616 1 687 . 1 1 58 58 GLU CB C 13 30.370 0.25 . 1 . . . . 132 GLU CB . 15616 1 688 . 1 1 58 58 GLU N N 15 125.303 0.25 . 1 . . . . 132 GLU N . 15616 1 689 . 1 1 59 59 LEU H H 1 8.300 0.015 . 1 . . . . 133 LEU H . 15616 1 690 . 1 1 59 59 LEU HA H 1 4.290 0.015 . 1 . . . . 133 LEU HA . 15616 1 691 . 1 1 59 59 LEU HB2 H 1 1.517 0.015 . 1 . . . . 133 LEU HB2 . 15616 1 692 . 1 1 59 59 LEU HB3 H 1 1.564 0.015 . 1 . . . . 133 LEU HB3 . 15616 1 693 . 1 1 59 59 LEU HD11 H 1 0.814 0.015 . 1 . . . . 133 LEU HD11 . 15616 1 694 . 1 1 59 59 LEU HD12 H 1 0.814 0.015 . 1 . . . . 133 LEU HD12 . 15616 1 695 . 1 1 59 59 LEU HD13 H 1 0.814 0.015 . 1 . . . . 133 LEU HD13 . 15616 1 696 . 1 1 59 59 LEU HD21 H 1 0.815 0.015 . 1 . . . . 133 LEU HD21 . 15616 1 697 . 1 1 59 59 LEU HD22 H 1 0.815 0.015 . 1 . . . . 133 LEU HD22 . 15616 1 698 . 1 1 59 59 LEU HD23 H 1 0.815 0.015 . 1 . . . . 133 LEU HD23 . 15616 1 699 . 1 1 59 59 LEU C C 13 176.834 0.25 . 1 . . . . 133 LEU C . 15616 1 700 . 1 1 59 59 LEU CA C 13 54.823 0.25 . 1 . . . . 133 LEU CA . 15616 1 701 . 1 1 59 59 LEU CB C 13 42.110 0.25 . 1 . . . . 133 LEU CB . 15616 1 702 . 1 1 59 59 LEU CD1 C 13 23.387 0.25 . 1 . . . . 133 LEU CD1 . 15616 1 703 . 1 1 59 59 LEU CD2 C 13 23.316 0.25 . 1 . . . . 133 LEU CD2 . 15616 1 704 . 1 1 59 59 LEU N N 15 123.230 0.25 . 1 . . . . 133 LEU N . 15616 1 705 . 1 1 60 60 MET H H 1 8.310 0.015 . 1 . . . . 134 MET H . 15616 1 706 . 1 1 60 60 MET HA H 1 4.444 0.015 . 1 . . . . 134 MET HA . 15616 1 707 . 1 1 60 60 MET HB2 H 1 1.940 0.015 . 1 . . . . 134 MET HB2 . 15616 1 708 . 1 1 60 60 MET HB3 H 1 2.023 0.015 . 1 . . . . 134 MET HB3 . 15616 1 709 . 1 1 60 60 MET HE1 H 1 2.042 0.015 . 1 . . . . 134 MET HE1 . 15616 1 710 . 1 1 60 60 MET HE2 H 1 2.042 0.015 . 1 . . . . 134 MET HE2 . 15616 1 711 . 1 1 60 60 MET HE3 H 1 2.042 0.015 . 1 . . . . 134 MET HE3 . 15616 1 712 . 1 1 60 60 MET HG2 H 1 2.482 0.015 . 1 . . . . 134 MET HG2 . 15616 1 713 . 1 1 60 60 MET HG3 H 1 2.552 0.015 . 1 . . . . 134 MET HG3 . 15616 1 714 . 1 1 60 60 MET C C 13 175.913 0.25 . 1 . . . . 134 MET C . 15616 1 715 . 1 1 60 60 MET CA C 13 54.973 0.25 . 1 . . . . 134 MET CA . 15616 1 716 . 1 1 60 60 MET CB C 13 32.878 0.25 . 1 . . . . 134 MET CB . 15616 1 717 . 1 1 60 60 MET CE C 13 16.789 0.25 . 1 . . . . 134 MET CE . 15616 1 718 . 1 1 60 60 MET CG C 13 31.904 0.25 . 1 . . . . 134 MET CG . 15616 1 719 . 1 1 60 60 MET N N 15 121.477 0.25 . 1 . . . . 134 MET N . 15616 1 720 . 1 1 61 61 GLU H H 1 8.332 0.015 . 1 . . . . 135 GLU H . 15616 1 721 . 1 1 61 61 GLU HA H 1 4.238 0.015 . 1 . . . . 135 GLU HA . 15616 1 722 . 1 1 61 61 GLU HB2 H 1 1.973 0.015 . 1 . . . . 135 GLU HB2 . 15616 1 723 . 1 1 61 61 GLU HB3 H 1 1.888 0.015 . 1 . . . . 135 GLU HB3 . 15616 1 724 . 1 1 61 61 GLU HG2 H 1 2.166 0.015 . 1 . . . . 135 GLU HG2 . 15616 1 725 . 1 1 61 61 GLU HG3 H 1 2.215 0.015 . 1 . . . . 135 GLU HG3 . 15616 1 726 . 1 1 61 61 GLU CA C 13 56.215 0.25 . 1 . . . . 135 GLU CA . 15616 1 727 . 1 1 61 61 GLU CB C 13 30.243 0.25 . 1 . . . . 135 GLU CB . 15616 1 728 . 1 1 61 61 GLU CG C 13 35.924 0.25 . 1 . . . . 135 GLU CG . 15616 1 729 . 1 1 61 61 GLU N N 15 122.439 0.25 . 1 . . . . 135 GLU N . 15616 1 730 . 1 1 62 62 GLU HA H 1 4.208 0.015 . 1 . . . . 136 GLU HA . 15616 1 731 . 1 1 62 62 GLU CA C 13 55.989 0.25 . 1 . . . . 136 GLU CA . 15616 1 732 . 1 1 62 62 GLU CB C 13 32.896 0.25 . 1 . . . . 136 GLU CB . 15616 1 733 . 1 1 62 62 GLU N N 15 122.411 0.25 . 1 . . . . 136 GLU N . 15616 1 734 . 1 1 65 65 ASP H H 1 8.361 0.015 . 1 . . . . 139 ASP H . 15616 1 735 . 1 1 65 65 ASP HA H 1 4.563 0.015 . 1 . . . . 139 ASP HA . 15616 1 736 . 1 1 65 65 ASP HB2 H 1 2.585 0.015 . 1 . . . . 139 ASP HB2 . 15616 1 737 . 1 1 65 65 ASP HB3 H 1 2.681 0.015 . 1 . . . . 139 ASP HB3 . 15616 1 738 . 1 1 65 65 ASP C C 13 176.350 0.25 . 1 . . . . 139 ASP C . 15616 1 739 . 1 1 65 65 ASP CA C 13 54.004 0.25 . 1 . . . . 139 ASP CA . 15616 1 740 . 1 1 65 65 ASP CB C 13 40.982 0.25 . 1 . . . . 139 ASP CB . 15616 1 741 . 1 1 65 65 ASP N N 15 121.540 0.25 . 1 . . . . 139 ASP N . 15616 1 742 . 1 1 66 66 GLU H H 1 8.433 0.015 . 1 . . . . 140 GLU H . 15616 1 743 . 1 1 66 66 GLU HA H 1 4.259 0.015 . 1 . . . . 140 GLU HA . 15616 1 744 . 1 1 66 66 GLU HB2 H 1 1.902 0.015 . 1 . . . . 140 GLU HB2 . 15616 1 745 . 1 1 66 66 GLU HB3 H 1 2.073 0.015 . 1 . . . . 140 GLU HB3 . 15616 1 746 . 1 1 66 66 GLU C C 13 177.156 0.25 . 1 . . . . 140 GLU C . 15616 1 747 . 1 1 66 66 GLU CA C 13 56.569 0.25 . 1 . . . . 140 GLU CA . 15616 1 748 . 1 1 66 66 GLU CB C 13 29.944 0.25 . 1 . . . . 140 GLU CB . 15616 1 749 . 1 1 66 66 GLU N N 15 121.943 0.25 . 1 . . . . 140 GLU N . 15616 1 750 . 1 1 67 67 GLY H H 1 8.503 0.015 . 1 . . . . 141 GLY H . 15616 1 751 . 1 1 67 67 GLY HA2 H 1 3.977 0.015 . 1 . . . . 141 GLY HA2 . 15616 1 752 . 1 1 67 67 GLY HA3 H 1 3.977 0.015 . 1 . . . . 141 GLY HA3 . 15616 1 753 . 1 1 67 67 GLY C C 13 174.481 0.25 . 1 . . . . 141 GLY C . 15616 1 754 . 1 1 67 67 GLY CA C 13 45.271 0.25 . 1 . . . . 141 GLY CA . 15616 1 755 . 1 1 67 67 GLY N N 15 109.344 0.25 . 1 . . . . 141 GLY N . 15616 1 756 . 1 1 68 68 THR H H 1 8.051 0.015 . 1 . . . . 142 THR H . 15616 1 757 . 1 1 68 68 THR HA H 1 4.311 0.015 . 1 . . . . 142 THR HA . 15616 1 758 . 1 1 68 68 THR HB H 1 4.229 0.015 . 1 . . . . 142 THR HB . 15616 1 759 . 1 1 68 68 THR C C 13 174.578 0.25 . 1 . . . . 142 THR C . 15616 1 760 . 1 1 68 68 THR CA C 13 61.885 0.25 . 1 . . . . 142 THR CA . 15616 1 761 . 1 1 68 68 THR CB C 13 69.601 0.25 . 1 . . . . 142 THR CB . 15616 1 762 . 1 1 68 68 THR N N 15 112.730 0.25 . 1 . . . . 142 THR N . 15616 1 763 . 1 1 69 69 GLY H H 1 8.498 0.015 . 1 . . . . 143 GLY H . 15616 1 764 . 1 1 69 69 GLY HA2 H 1 3.995 0.015 . 1 . . . . 143 GLY HA2 . 15616 1 765 . 1 1 69 69 GLY HA3 H 1 3.963 0.015 . 1 . . . . 143 GLY HA3 . 15616 1 766 . 1 1 69 69 GLY C C 13 174.734 0.25 . 1 . . . . 143 GLY C . 15616 1 767 . 1 1 69 69 GLY CA C 13 45.345 0.25 . 1 . . . . 143 GLY CA . 15616 1 768 . 1 1 69 69 GLY N N 15 111.228 0.25 . 1 . . . . 143 GLY N . 15616 1 769 . 1 1 70 70 THR H H 1 7.992 0.015 . 1 . . . . 144 THR H . 15616 1 770 . 1 1 70 70 THR HA H 1 4.265 0.015 . 1 . . . . 144 THR HA . 15616 1 771 . 1 1 70 70 THR CA C 13 61.907 0.25 . 1 . . . . 144 THR CA . 15616 1 772 . 1 1 70 70 THR CB C 13 69.558 0.25 . 1 . . . . 144 THR CB . 15616 1 773 . 1 1 70 70 THR N N 15 113.869 0.25 . 1 . . . . 144 THR N . 15616 1 774 . 1 1 71 71 LEU H H 1 8.185 0.015 . 1 . . . . 145 LEU H . 15616 1 775 . 1 1 71 71 LEU HA H 1 4.299 0.015 . 1 . . . . 145 LEU HA . 15616 1 776 . 1 1 71 71 LEU HB2 H 1 1.618 0.015 . 1 . . . . 145 LEU HB2 . 15616 1 777 . 1 1 71 71 LEU HB3 H 1 1.531 0.015 . 1 . . . . 145 LEU HB3 . 15616 1 778 . 1 1 71 71 LEU HD11 H 1 0.878 0.015 . 1 . . . . 145 LEU HD11 . 15616 1 779 . 1 1 71 71 LEU HD12 H 1 0.878 0.015 . 1 . . . . 145 LEU HD12 . 15616 1 780 . 1 1 71 71 LEU HD13 H 1 0.878 0.015 . 1 . . . . 145 LEU HD13 . 15616 1 781 . 1 1 71 71 LEU HD21 H 1 0.825 0.015 . 1 . . . . 145 LEU HD21 . 15616 1 782 . 1 1 71 71 LEU HD22 H 1 0.825 0.015 . 1 . . . . 145 LEU HD22 . 15616 1 783 . 1 1 71 71 LEU HD23 H 1 0.825 0.015 . 1 . . . . 145 LEU HD23 . 15616 1 784 . 1 1 71 71 LEU HG H 1 1.569 0.015 . 1 . . . . 145 LEU HG . 15616 1 785 . 1 1 71 71 LEU C C 13 177.146 0.25 . 1 . . . . 145 LEU C . 15616 1 786 . 1 1 71 71 LEU CA C 13 54.981 0.25 . 1 . . . . 145 LEU CA . 15616 1 787 . 1 1 71 71 LEU CB C 13 41.994 0.25 . 1 . . . . 145 LEU CB . 15616 1 788 . 1 1 71 71 LEU CD1 C 13 24.515 0.25 . 1 . . . . 145 LEU CD1 . 15616 1 789 . 1 1 71 71 LEU CD2 C 13 23.166 0.25 . 1 . . . . 145 LEU CD2 . 15616 1 790 . 1 1 71 71 LEU CG C 13 26.647 0.25 . 1 . . . . 145 LEU CG . 15616 1 791 . 1 1 71 71 LEU N N 15 124.318 0.25 . 1 . . . . 145 LEU N . 15616 1 792 . 1 1 72 72 ARG H H 1 8.251 0.015 . 1 . . . . 146 ARG H . 15616 1 793 . 1 1 72 72 ARG HA H 1 4.238 0.015 . 1 . . . . 146 ARG HA . 15616 1 794 . 1 1 72 72 ARG HB2 H 1 1.799 0.015 . 1 . . . . 146 ARG HB2 . 15616 1 795 . 1 1 72 72 ARG HB3 H 1 1.799 0.015 . 1 . . . . 146 ARG HB3 . 15616 1 796 . 1 1 72 72 ARG C C 13 176.229 0.25 . 1 . . . . 146 ARG C . 15616 1 797 . 1 1 72 72 ARG CA C 13 56.007 0.25 . 1 . . . . 146 ARG CA . 15616 1 798 . 1 1 72 72 ARG CB C 13 30.475 0.25 . 1 . . . . 146 ARG CB . 15616 1 799 . 1 1 72 72 ARG N N 15 122.080 0.25 . 1 . . . . 146 ARG N . 15616 1 800 . 1 1 73 73 LYS H H 1 8.324 0.015 . 1 . . . . 147 LYS H . 15616 1 801 . 1 1 73 73 LYS HA H 1 4.242 0.015 . 1 . . . . 147 LYS HA . 15616 1 802 . 1 1 73 73 LYS HB2 H 1 1.746 0.015 . 1 . . . . 147 LYS HB2 . 15616 1 803 . 1 1 73 73 LYS HB3 H 1 1.746 0.015 . 1 . . . . 147 LYS HB3 . 15616 1 804 . 1 1 73 73 LYS C C 13 176.123 0.25 . 1 . . . . 147 LYS C . 15616 1 805 . 1 1 73 73 LYS CA C 13 56.260 0.25 . 1 . . . . 147 LYS CA . 15616 1 806 . 1 1 73 73 LYS CB C 13 32.848 0.25 . 1 . . . . 147 LYS CB . 15616 1 807 . 1 1 73 73 LYS N N 15 122.620 0.25 . 1 . . . . 147 LYS N . 15616 1 808 . 1 1 74 74 ASP H H 1 8.272 0.015 . 1 . . . . 148 ASP H . 15616 1 809 . 1 1 74 74 ASP HA H 1 4.531 0.015 . 1 . . . . 148 ASP HA . 15616 1 810 . 1 1 74 74 ASP CA C 13 54.119 0.25 . 1 . . . . 148 ASP CA . 15616 1 811 . 1 1 74 74 ASP N N 15 120.812 0.25 . 1 . . . . 148 ASP N . 15616 1 812 . 1 1 75 75 LYS H H 1 8.274 0.015 . 1 . . . . 149 LYS H . 15616 1 813 . 1 1 75 75 LYS HA H 1 4.267 0.015 . 1 . . . . 149 LYS HA . 15616 1 814 . 1 1 75 75 LYS HB2 H 1 1.756 0.015 . 1 . . . . 149 LYS HB2 . 15616 1 815 . 1 1 75 75 LYS HB3 H 1 1.848 0.015 . 1 . . . . 149 LYS HB3 . 15616 1 816 . 1 1 75 75 LYS C C 13 176.907 0.25 . 1 . . . . 149 LYS C . 15616 1 817 . 1 1 75 75 LYS CA C 13 56.667 0.25 . 1 . . . . 149 LYS CA . 15616 1 818 . 1 1 75 75 LYS CB C 13 32.658 0.25 . 1 . . . . 149 LYS CB . 15616 1 819 . 1 1 75 75 LYS N N 15 121.579 0.25 . 1 . . . . 149 LYS N . 15616 1 820 . 1 1 76 76 THR H H 1 8.185 0.015 . 1 . . . . 150 THR H . 15616 1 821 . 1 1 76 76 THR HA H 1 4.252 0.015 . 1 . . . . 150 THR HA . 15616 1 822 . 1 1 76 76 THR HB H 1 4.152 0.015 . 1 . . . . 150 THR HB . 15616 1 823 . 1 1 76 76 THR HG21 H 1 1.148 0.015 . 1 . . . . 150 THR HG21 . 15616 1 824 . 1 1 76 76 THR HG22 H 1 1.148 0.015 . 1 . . . . 150 THR HG22 . 15616 1 825 . 1 1 76 76 THR HG23 H 1 1.148 0.015 . 1 . . . . 150 THR HG23 . 15616 1 826 . 1 1 76 76 THR C C 13 174.536 0.25 . 1 . . . . 150 THR C . 15616 1 827 . 1 1 76 76 THR CA C 13 61.893 0.25 . 1 . . . . 150 THR CA . 15616 1 828 . 1 1 76 76 THR CB C 13 69.408 0.25 . 1 . . . . 150 THR CB . 15616 1 829 . 1 1 76 76 THR CG2 C 13 21.283 0.25 . 1 . . . . 150 THR CG2 . 15616 1 830 . 1 1 76 76 THR N N 15 114.895 0.25 . 1 . . . . 150 THR N . 15616 1 831 . 1 1 77 77 LEU H H 1 8.047 0.015 . 1 . . . . 151 LEU H . 15616 1 832 . 1 1 77 77 LEU HA H 1 4.314 0.015 . 1 . . . . 151 LEU HA . 15616 1 833 . 1 1 77 77 LEU HB2 H 1 1.591 0.015 . 1 . . . . 151 LEU HB2 . 15616 1 834 . 1 1 77 77 LEU HB3 H 1 1.548 0.015 . 1 . . . . 151 LEU HB3 . 15616 1 835 . 1 1 77 77 LEU C C 13 177.142 0.25 . 1 . . . . 151 LEU C . 15616 1 836 . 1 1 77 77 LEU CA C 13 54.942 0.25 . 1 . . . . 151 LEU CA . 15616 1 837 . 1 1 77 77 LEU CB C 13 41.960 0.25 . 1 . . . . 151 LEU CB . 15616 1 838 . 1 1 77 77 LEU N N 15 123.962 0.25 . 1 . . . . 151 LEU N . 15616 1 839 . 1 1 78 78 LEU H H 1 8.081 0.015 . 1 . . . . 152 LEU H . 15616 1 840 . 1 1 78 78 LEU C C 13 177.216 0.25 . 1 . . . . 152 LEU C . 15616 1 841 . 1 1 78 78 LEU CA C 13 54.891 0.25 . 1 . . . . 152 LEU CA . 15616 1 842 . 1 1 78 78 LEU CB C 13 42.003 0.25 . 1 . . . . 152 LEU CB . 15616 1 843 . 1 1 78 78 LEU N N 15 122.597 0.25 . 1 . . . . 152 LEU N . 15616 1 844 . 1 1 79 79 ARG H H 1 8.171 0.015 . 1 . . . . 153 ARG H . 15616 1 845 . 1 1 79 79 ARG C C 13 175.900 0.25 . 1 . . . . 153 ARG C . 15616 1 846 . 1 1 79 79 ARG CA C 13 55.982 0.25 . 1 . . . . 153 ARG CA . 15616 1 847 . 1 1 79 79 ARG CB C 13 30.541 0.25 . 1 . . . . 153 ARG CB . 15616 1 848 . 1 1 79 79 ARG N N 15 121.199 0.25 . 1 . . . . 153 ARG N . 15616 1 849 . 1 1 80 80 ASP H H 1 8.254 0.015 . 1 . . . . 154 ASP H . 15616 1 850 . 1 1 80 80 ASP C C 13 176.461 0.25 . 1 . . . . 154 ASP C . 15616 1 851 . 1 1 80 80 ASP CA C 13 54.145 0.25 . 1 . . . . 154 ASP CA . 15616 1 852 . 1 1 80 80 ASP CB C 13 40.912 0.25 . 1 . . . . 154 ASP CB . 15616 1 853 . 1 1 80 80 ASP N N 15 121.350 0.25 . 1 . . . . 154 ASP N . 15616 1 854 . 1 1 81 81 GLU H H 1 8.447 0.015 . 1 . . . . 155 GLU H . 15616 1 855 . 1 1 81 81 GLU HA H 1 4.148 0.015 . 1 . . . . 155 GLU HA . 15616 1 856 . 1 1 81 81 GLU HB2 H 1 2.036 0.015 . 1 . . . . 155 GLU HB2 . 15616 1 857 . 1 1 81 81 GLU HB3 H 1 1.954 0.015 . 1 . . . . 155 GLU HB3 . 15616 1 858 . 1 1 81 81 GLU HG2 H 1 2.255 0.015 . 1 . . . . 155 GLU HG2 . 15616 1 859 . 1 1 81 81 GLU HG3 H 1 2.202 0.015 . 1 . . . . 155 GLU HG3 . 15616 1 860 . 1 1 81 81 GLU C C 13 177.191 0.25 . 1 . . . . 155 GLU C . 15616 1 861 . 1 1 81 81 GLU CA C 13 57.380 0.25 . 1 . . . . 155 GLU CA . 15616 1 862 . 1 1 81 81 GLU CB C 13 29.742 0.25 . 1 . . . . 155 GLU CB . 15616 1 863 . 1 1 81 81 GLU CG C 13 36.012 0.25 . 1 . . . . 155 GLU CG . 15616 1 864 . 1 1 81 81 GLU N N 15 122.356 0.25 . 1 . . . . 155 GLU N . 15616 1 865 . 1 1 82 82 LYS H H 1 8.269 0.015 . 1 . . . . 156 LYS H . 15616 1 866 . 1 1 82 82 LYS HA H 1 4.200 0.015 . 1 . . . . 156 LYS HA . 15616 1 867 . 1 1 82 82 LYS HB2 H 1 1.800 0.015 . 1 . . . . 156 LYS HB2 . 15616 1 868 . 1 1 82 82 LYS HB3 H 1 1.800 0.015 . 1 . . . . 156 LYS HB3 . 15616 1 869 . 1 1 82 82 LYS C C 13 177.312 0.25 . 1 . . . . 156 LYS C . 15616 1 870 . 1 1 82 82 LYS CA C 13 56.753 0.25 . 1 . . . . 156 LYS CA . 15616 1 871 . 1 1 82 82 LYS CB C 13 31.976 0.25 . 1 . . . . 156 LYS CB . 15616 1 872 . 1 1 82 82 LYS N N 15 120.698 0.25 . 1 . . . . 156 LYS N . 15616 1 873 . 1 1 83 83 LYS H H 1 8.018 0.015 . 1 . . . . 157 LYS H . 15616 1 874 . 1 1 83 83 LYS HA H 1 4.183 0.015 . 1 . . . . 157 LYS HA . 15616 1 875 . 1 1 83 83 LYS HB2 H 1 1.800 0.015 . 1 . . . . 157 LYS HB2 . 15616 1 876 . 1 1 83 83 LYS HB3 H 1 1.800 0.015 . 1 . . . . 157 LYS HB3 . 15616 1 877 . 1 1 83 83 LYS C C 13 177.107 0.25 . 1 . . . . 157 LYS C . 15616 1 878 . 1 1 83 83 LYS CA C 13 57.145 0.25 . 1 . . . . 157 LYS CA . 15616 1 879 . 1 1 83 83 LYS CB C 13 32.383 0.25 . 1 . . . . 157 LYS CB . 15616 1 880 . 1 1 83 83 LYS N N 15 120.946 0.25 . 1 . . . . 157 LYS N . 15616 1 881 . 1 1 84 84 MET H H 1 8.177 0.015 . 1 . . . . 158 MET H . 15616 1 882 . 1 1 84 84 MET HA H 1 4.363 0.015 . 1 . . . . 158 MET HA . 15616 1 883 . 1 1 84 84 MET HB2 H 1 2.023 0.015 . 1 . . . . 158 MET HB2 . 15616 1 884 . 1 1 84 84 MET HB3 H 1 2.052 0.015 . 1 . . . . 158 MET HB3 . 15616 1 885 . 1 1 84 84 MET HE1 H 1 1.803 0.015 . 1 . . . . 158 MET HE1 . 15616 1 886 . 1 1 84 84 MET HE2 H 1 1.803 0.015 . 1 . . . . 158 MET HE2 . 15616 1 887 . 1 1 84 84 MET HE3 H 1 1.803 0.015 . 1 . . . . 158 MET HE3 . 15616 1 888 . 1 1 84 84 MET HG2 H 1 2.507 0.015 . 1 . . . . 158 MET HG2 . 15616 1 889 . 1 1 84 84 MET HG3 H 1 2.576 0.015 . 1 . . . . 158 MET HG3 . 15616 1 890 . 1 1 84 84 MET C C 13 176.782 0.25 . 1 . . . . 158 MET C . 15616 1 891 . 1 1 84 84 MET CA C 13 55.763 0.25 . 1 . . . . 158 MET CA . 15616 1 892 . 1 1 84 84 MET CB C 13 32.252 0.25 . 1 . . . . 158 MET CB . 15616 1 893 . 1 1 84 84 MET CE C 13 15.758 0.25 . 1 . . . . 158 MET CE . 15616 1 894 . 1 1 84 84 MET CG C 13 31.804 0.25 . 1 . . . . 158 MET CG . 15616 1 895 . 1 1 84 84 MET N N 15 119.875 0.25 . 1 . . . . 158 MET N . 15616 1 896 . 1 1 85 85 GLU H H 1 8.244 0.015 . 1 . . . . 159 GLU H . 15616 1 897 . 1 1 85 85 GLU HA H 1 4.168 0.015 . 1 . . . . 159 GLU HA . 15616 1 898 . 1 1 85 85 GLU HB2 H 1 1.947 0.015 . 1 . . . . 159 GLU HB2 . 15616 1 899 . 1 1 85 85 GLU HB3 H 1 1.947 0.015 . 1 . . . . 159 GLU HB3 . 15616 1 900 . 1 1 85 85 GLU C C 13 176.983 0.25 . 1 . . . . 159 GLU C . 15616 1 901 . 1 1 85 85 GLU CA C 13 57.289 0.25 . 1 . . . . 159 GLU CA . 15616 1 902 . 1 1 85 85 GLU CB C 13 29.740 0.25 . 1 . . . . 159 GLU CB . 15616 1 903 . 1 1 85 85 GLU N N 15 121.530 0.25 . 1 . . . . 159 GLU N . 15616 1 904 . 1 1 86 86 LYS H H 1 8.113 0.015 . 1 . . . . 160 LYS H . 15616 1 905 . 1 1 86 86 LYS HA H 1 4.178 0.015 . 1 . . . . 160 LYS HA . 15616 1 906 . 1 1 86 86 LYS HB2 H 1 1.781 0.015 . 1 . . . . 160 LYS HB2 . 15616 1 907 . 1 1 86 86 LYS HB3 H 1 1.781 0.015 . 1 . . . . 160 LYS HB3 . 15616 1 908 . 1 1 86 86 LYS C C 13 177.028 0.25 . 1 . . . . 160 LYS C . 15616 1 909 . 1 1 86 86 LYS CA C 13 56.647 0.25 . 1 . . . . 160 LYS CA . 15616 1 910 . 1 1 86 86 LYS CB C 13 32.403 0.25 . 1 . . . . 160 LYS CB . 15616 1 911 . 1 1 86 86 LYS N N 15 120.886 0.25 . 1 . . . . 160 LYS N . 15616 1 912 . 1 1 87 87 LEU H H 1 8.002 0.015 . 1 . . . . 161 LEU H . 15616 1 913 . 1 1 87 87 LEU HA H 1 4.208 0.015 . 1 . . . . 161 LEU HA . 15616 1 914 . 1 1 87 87 LEU HB2 H 1 1.550 0.015 . 1 . . . . 161 LEU HB2 . 15616 1 915 . 1 1 87 87 LEU HB3 H 1 1.643 0.015 . 1 . . . . 161 LEU HB3 . 15616 1 916 . 1 1 87 87 LEU C C 13 177.571 0.25 . 1 . . . . 161 LEU C . 15616 1 917 . 1 1 87 87 LEU CA C 13 55.485 0.25 . 1 . . . . 161 LEU CA . 15616 1 918 . 1 1 87 87 LEU CB C 13 41.885 0.25 . 1 . . . . 161 LEU CB . 15616 1 919 . 1 1 87 87 LEU N N 15 121.566 0.25 . 1 . . . . 161 LEU N . 15616 1 920 . 1 1 88 88 LYS H H 1 8.077 0.015 . 1 . . . . 162 LYS H . 15616 1 921 . 1 1 88 88 LYS HA H 1 4.191 0.015 . 1 . . . . 162 LYS HA . 15616 1 922 . 1 1 88 88 LYS HB2 H 1 1.758 0.015 . 1 . . . . 162 LYS HB2 . 15616 1 923 . 1 1 88 88 LYS HB3 H 1 1.758 0.015 . 1 . . . . 162 LYS HB3 . 15616 1 924 . 1 1 88 88 LYS C C 13 176.583 0.25 . 1 . . . . 162 LYS C . 15616 1 925 . 1 1 88 88 LYS CA C 13 56.440 0.25 . 1 . . . . 162 LYS CA . 15616 1 926 . 1 1 88 88 LYS CB C 13 32.591 0.25 . 1 . . . . 162 LYS CB . 15616 1 927 . 1 1 88 88 LYS N N 15 120.877 0.25 . 1 . . . . 162 LYS N . 15616 1 928 . 1 1 89 89 GLN H H 1 8.094 0.015 . 1 . . . . 163 GLN H . 15616 1 929 . 1 1 89 89 GLN HA H 1 4.236 0.015 . 1 . . . . 163 GLN HA . 15616 1 930 . 1 1 89 89 GLN HB2 H 1 1.940 0.015 . 1 . . . . 163 GLN HB2 . 15616 1 931 . 1 1 89 89 GLN HB3 H 1 2.033 0.015 . 1 . . . . 163 GLN HB3 . 15616 1 932 . 1 1 89 89 GLN HE21 H 1 6.823 0.015 . 1 . . . . 163 GLN HE21 . 15616 1 933 . 1 1 89 89 GLN HE22 H 1 7.482 0.015 . 1 . . . . 163 GLN HE22 . 15616 1 934 . 1 1 89 89 GLN HG2 H 1 2.306 0.015 . 1 . . . . 163 GLN HG2 . 15616 1 935 . 1 1 89 89 GLN HG3 H 1 2.306 0.015 . 1 . . . . 163 GLN HG3 . 15616 1 936 . 1 1 89 89 GLN C C 13 175.686 0.25 . 1 . . . . 163 GLN C . 15616 1 937 . 1 1 89 89 GLN CA C 13 55.524 0.25 . 1 . . . . 163 GLN CA . 15616 1 938 . 1 1 89 89 GLN CB C 13 29.277 0.25 . 1 . . . . 163 GLN CB . 15616 1 939 . 1 1 89 89 GLN CG C 13 33.535 0.25 . 1 . . . . 163 GLN CG . 15616 1 940 . 1 1 89 89 GLN N N 15 120.230 0.25 . 1 . . . . 163 GLN N . 15616 1 941 . 1 1 89 89 GLN NE2 N 15 112.104 0.25 . 1 . . . . 163 GLN NE2 . 15616 1 942 . 1 1 90 90 LYS H H 1 8.179 0.015 . 1 . . . . 164 LYS H . 15616 1 943 . 1 1 90 90 LYS HA H 1 4.230 0.015 . 1 . . . . 164 LYS HA . 15616 1 944 . 1 1 90 90 LYS HB2 H 1 1.702 0.015 . 1 . . . . 164 LYS HB2 . 15616 1 945 . 1 1 90 90 LYS HB3 H 1 1.779 0.015 . 1 . . . . 164 LYS HB3 . 15616 1 946 . 1 1 90 90 LYS HD2 H 1 1.636 0.015 . 1 . . . . 164 LYS HD2 . 15616 1 947 . 1 1 90 90 LYS HD3 H 1 1.636 0.015 . 1 . . . . 164 LYS HD3 . 15616 1 948 . 1 1 90 90 LYS HE2 H 1 2.946 0.015 . 1 . . . . 164 LYS HE2 . 15616 1 949 . 1 1 90 90 LYS HE3 H 1 2.946 0.015 . 1 . . . . 164 LYS HE3 . 15616 1 950 . 1 1 90 90 LYS HG2 H 1 1.399 0.015 . 1 . . . . 164 LYS HG2 . 15616 1 951 . 1 1 90 90 LYS HG3 H 1 1.354 0.015 . 1 . . . . 164 LYS HG3 . 15616 1 952 . 1 1 90 90 LYS C C 13 176.089 0.25 . 1 . . . . 164 LYS C . 15616 1 953 . 1 1 90 90 LYS CA C 13 56.123 0.25 . 1 . . . . 164 LYS CA . 15616 1 954 . 1 1 90 90 LYS CB C 13 32.873 0.25 . 1 . . . . 164 LYS CB . 15616 1 955 . 1 1 90 90 LYS CD C 13 28.697 0.25 . 1 . . . . 164 LYS CD . 15616 1 956 . 1 1 90 90 LYS CE C 13 41.843 0.25 . 1 . . . . 164 LYS CE . 15616 1 957 . 1 1 90 90 LYS CG C 13 24.335 0.25 . 1 . . . . 164 LYS CG . 15616 1 958 . 1 1 90 90 LYS N N 15 122.011 0.25 . 1 . . . . 164 LYS N . 15616 1 959 . 1 1 91 91 LEU H H 1 8.186 0.015 . 1 . . . . 165 LEU H . 15616 1 960 . 1 1 91 91 LEU HA H 1 4.265 0.015 . 1 . . . . 165 LEU HA . 15616 1 961 . 1 1 91 91 LEU HB2 H 1 1.419 0.015 . 1 . . . . 165 LEU HB2 . 15616 1 962 . 1 1 91 91 LEU HB3 H 1 1.539 0.015 . 1 . . . . 165 LEU HB3 . 15616 1 963 . 1 1 91 91 LEU HD11 H 1 0.842 0.015 . 1 . . . . 165 LEU HD11 . 15616 1 964 . 1 1 91 91 LEU HD12 H 1 0.842 0.015 . 1 . . . . 165 LEU HD12 . 15616 1 965 . 1 1 91 91 LEU HD13 H 1 0.842 0.015 . 1 . . . . 165 LEU HD13 . 15616 1 966 . 1 1 91 91 LEU HD21 H 1 0.777 0.015 . 1 . . . . 165 LEU HD21 . 15616 1 967 . 1 1 91 91 LEU HD22 H 1 0.777 0.015 . 1 . . . . 165 LEU HD22 . 15616 1 968 . 1 1 91 91 LEU HD23 H 1 0.777 0.015 . 1 . . . . 165 LEU HD23 . 15616 1 969 . 1 1 91 91 LEU C C 13 176.582 0.25 . 1 . . . . 165 LEU C . 15616 1 970 . 1 1 91 91 LEU CA C 13 54.842 0.25 . 1 . . . . 165 LEU CA . 15616 1 971 . 1 1 91 91 LEU CB C 13 42.279 0.25 . 1 . . . . 165 LEU CB . 15616 1 972 . 1 1 91 91 LEU CD1 C 13 24.452 0.25 . 1 . . . . 165 LEU CD1 . 15616 1 973 . 1 1 91 91 LEU CD2 C 13 23.123 0.25 . 1 . . . . 165 LEU CD2 . 15616 1 974 . 1 1 91 91 LEU N N 15 122.803 0.25 . 1 . . . . 165 LEU N . 15616 1 975 . 1 1 92 92 HIS H H 1 8.344 0.015 . 1 . . . . 166 HIS H . 15616 1 976 . 1 1 92 92 HIS HA H 1 4.674 0.015 . 1 . . . . 166 HIS HA . 15616 1 977 . 1 1 92 92 HIS HB2 H 1 3.055 0.015 . 1 . . . . 166 HIS HB2 . 15616 1 978 . 1 1 92 92 HIS HB3 H 1 3.148 0.015 . 1 . . . . 166 HIS HB3 . 15616 1 979 . 1 1 92 92 HIS HD2 H 1 7.064 0.015 . 1 . . . . 166 HIS HD2 . 15616 1 980 . 1 1 92 92 HIS HE1 H 1 8.120 0.015 . 1 . . . . 166 HIS HE1 . 15616 1 981 . 1 1 92 92 HIS C C 13 175.118 0.25 . 1 . . . . 166 HIS C . 15616 1 982 . 1 1 92 92 HIS CA C 13 55.666 0.25 . 1 . . . . 166 HIS CA . 15616 1 983 . 1 1 92 92 HIS CB C 13 29.779 0.25 . 1 . . . . 166 HIS CB . 15616 1 984 . 1 1 92 92 HIS CD2 C 13 120.219 0.25 . 1 . . . . 166 HIS CD2 . 15616 1 985 . 1 1 92 92 HIS CE1 C 13 137.320 0.25 . 1 . . . . 166 HIS CE1 . 15616 1 986 . 1 1 92 92 HIS N N 15 119.381 0.25 . 1 . . . . 166 HIS N . 15616 1 987 . 1 1 93 93 THR H H 1 8.051 0.015 . 1 . . . . 167 THR H . 15616 1 988 . 1 1 93 93 THR HA H 1 4.311 0.015 . 1 . . . . 167 THR HA . 15616 1 989 . 1 1 93 93 THR HB H 1 4.230 0.015 . 1 . . . . 167 THR HB . 15616 1 990 . 1 1 93 93 THR HG21 H 1 1.117 0.015 . 1 . . . . 167 THR HG21 . 15616 1 991 . 1 1 93 93 THR HG22 H 1 1.117 0.015 . 1 . . . . 167 THR HG22 . 15616 1 992 . 1 1 93 93 THR HG23 H 1 1.117 0.015 . 1 . . . . 167 THR HG23 . 15616 1 993 . 1 1 93 93 THR C C 13 174.620 0.25 . 1 . . . . 167 THR C . 15616 1 994 . 1 1 93 93 THR CA C 13 61.465 0.25 . 1 . . . . 167 THR CA . 15616 1 995 . 1 1 93 93 THR CB C 13 69.610 0.25 . 1 . . . . 167 THR CB . 15616 1 996 . 1 1 93 93 THR CG2 C 13 21.349 0.25 . 1 . . . . 167 THR CG2 . 15616 1 997 . 1 1 93 93 THR N N 15 114.381 0.25 . 1 . . . . 167 THR N . 15616 1 998 . 1 1 94 94 ASP H H 1 8.483 0.015 . 1 . . . . 168 ASP H . 15616 1 999 . 1 1 94 94 ASP HA H 1 4.582 0.015 . 1 . . . . 168 ASP HA . 15616 1 1000 . 1 1 94 94 ASP HB2 H 1 2.628 0.015 . 1 . . . . 168 ASP HB2 . 15616 1 1001 . 1 1 94 94 ASP HB3 H 1 2.751 0.015 . 1 . . . . 168 ASP HB3 . 15616 1 1002 . 1 1 94 94 ASP C C 13 176.315 0.25 . 1 . . . . 168 ASP C . 15616 1 1003 . 1 1 94 94 ASP CA C 13 54.818 0.25 . 1 . . . . 168 ASP CA . 15616 1 1004 . 1 1 94 94 ASP CB C 13 40.671 0.25 . 1 . . . . 168 ASP CB . 15616 1 1005 . 1 1 94 94 ASP N N 15 121.816 0.25 . 1 . . . . 168 ASP N . 15616 1 1006 . 1 1 95 95 ASP H H 1 8.176 0.015 . 1 . . . . 169 ASP H . 15616 1 1007 . 1 1 95 95 ASP HA H 1 4.550 0.015 . 1 . . . . 169 ASP HA . 15616 1 1008 . 1 1 95 95 ASP HB2 H 1 2.681 0.015 . 1 . . . . 169 ASP HB2 . 15616 1 1009 . 1 1 95 95 ASP HB3 H 1 2.609 0.015 . 1 . . . . 169 ASP HB3 . 15616 1 1010 . 1 1 95 95 ASP C C 13 176.367 0.25 . 1 . . . . 169 ASP C . 15616 1 1011 . 1 1 95 95 ASP CA C 13 54.720 0.25 . 1 . . . . 169 ASP CA . 15616 1 1012 . 1 1 95 95 ASP CB C 13 41.062 0.25 . 1 . . . . 169 ASP CB . 15616 1 1013 . 1 1 95 95 ASP N N 15 119.551 0.25 . 1 . . . . 169 ASP N . 15616 1 1014 . 1 1 96 96 GLU H H 1 8.146 0.015 . 1 . . . . 170 GLU H . 15616 1 1015 . 1 1 96 96 GLU HA H 1 4.141 0.015 . 1 . . . . 170 GLU HA . 15616 1 1016 . 1 1 96 96 GLU HB2 H 1 1.910 0.015 . 1 . . . . 170 GLU HB2 . 15616 1 1017 . 1 1 96 96 GLU HB3 H 1 2.020 0.015 . 1 . . . . 170 GLU HB3 . 15616 1 1018 . 1 1 96 96 GLU HG2 H 1 2.130 0.015 . 1 . . . . 170 GLU HG2 . 15616 1 1019 . 1 1 96 96 GLU HG3 H 1 2.203 0.015 . 1 . . . . 170 GLU HG3 . 15616 1 1020 . 1 1 96 96 GLU C C 13 176.427 0.25 . 1 . . . . 170 GLU C . 15616 1 1021 . 1 1 96 96 GLU CA C 13 56.412 0.25 . 1 . . . . 170 GLU CA . 15616 1 1022 . 1 1 96 96 GLU CB C 13 29.717 0.25 . 1 . . . . 170 GLU CB . 15616 1 1023 . 1 1 96 96 GLU CG C 13 35.909 0.25 . 1 . . . . 170 GLU CG . 15616 1 1024 . 1 1 96 96 GLU N N 15 119.647 0.25 . 1 . . . . 170 GLU N . 15616 1 1025 . 1 1 97 97 LEU H H 1 7.765 0.015 . 1 . . . . 171 LEU H . 15616 1 1026 . 1 1 97 97 LEU HA H 1 4.159 0.015 . 1 . . . . 171 LEU HA . 15616 1 1027 . 1 1 97 97 LEU HB2 H 1 0.781 0.015 . 1 . . . . 171 LEU HB2 . 15616 1 1028 . 1 1 97 97 LEU HB3 H 1 1.247 0.015 . 1 . . . . 171 LEU HB3 . 15616 1 1029 . 1 1 97 97 LEU HD11 H 1 0.631 0.015 . 1 . . . . 171 LEU HD11 . 15616 1 1030 . 1 1 97 97 LEU HD12 H 1 0.631 0.015 . 1 . . . . 171 LEU HD12 . 15616 1 1031 . 1 1 97 97 LEU HD13 H 1 0.631 0.015 . 1 . . . . 171 LEU HD13 . 15616 1 1032 . 1 1 97 97 LEU HD21 H 1 0.664 0.015 . 1 . . . . 171 LEU HD21 . 15616 1 1033 . 1 1 97 97 LEU HD22 H 1 0.664 0.015 . 1 . . . . 171 LEU HD22 . 15616 1 1034 . 1 1 97 97 LEU HD23 H 1 0.664 0.015 . 1 . . . . 171 LEU HD23 . 15616 1 1035 . 1 1 97 97 LEU HG H 1 1.490 0.015 . 1 . . . . 171 LEU HG . 15616 1 1036 . 1 1 97 97 LEU C C 13 176.427 0.25 . 1 . . . . 171 LEU C . 15616 1 1037 . 1 1 97 97 LEU CA C 13 54.369 0.25 . 1 . . . . 171 LEU CA . 15616 1 1038 . 1 1 97 97 LEU CB C 13 41.941 0.25 . 1 . . . . 171 LEU CB . 15616 1 1039 . 1 1 97 97 LEU CD1 C 13 22.671 0.25 . 1 . . . . 171 LEU CD1 . 15616 1 1040 . 1 1 97 97 LEU CD2 C 13 25.153 0.25 . 1 . . . . 171 LEU CD2 . 15616 1 1041 . 1 1 97 97 LEU CG C 13 26.576 0.25 . 1 . . . . 171 LEU CG . 15616 1 1042 . 1 1 97 97 LEU N N 15 120.843 0.25 . 1 . . . . 171 LEU N . 15616 1 1043 . 1 1 98 98 ASN H H 1 8.325 0.015 . 1 . . . . 172 ASN H . 15616 1 1044 . 1 1 98 98 ASN HA H 1 4.817 0.015 . 1 . . . . 172 ASN HA . 15616 1 1045 . 1 1 98 98 ASN HB2 H 1 2.656 0.015 . 1 . . . . 172 ASN HB2 . 15616 1 1046 . 1 1 98 98 ASN HB3 H 1 2.908 0.015 . 1 . . . . 172 ASN HB3 . 15616 1 1047 . 1 1 98 98 ASN HD21 H 1 7.461 0.015 . 1 . . . . 172 ASN HD21 . 15616 1 1048 . 1 1 98 98 ASN HD22 H 1 6.950 0.015 . 1 . . . . 172 ASN HD22 . 15616 1 1049 . 1 1 98 98 ASN C C 13 174.388 0.25 . 1 . . . . 172 ASN C . 15616 1 1050 . 1 1 98 98 ASN CA C 13 51.947 0.25 . 1 . . . . 172 ASN CA . 15616 1 1051 . 1 1 98 98 ASN CB C 13 37.744 0.25 . 1 . . . . 172 ASN CB . 15616 1 1052 . 1 1 98 98 ASN N N 15 119.279 0.25 . 1 . . . . 172 ASN N . 15616 1 1053 . 1 1 98 98 ASN ND2 N 15 112.006 0.25 . 1 . . . . 172 ASN ND2 . 15616 1 1054 . 1 1 99 99 TRP H H 1 7.708 0.015 . 1 . . . . 173 TRP H . 15616 1 1055 . 1 1 99 99 TRP HA H 1 4.695 0.015 . 1 . . . . 173 TRP HA . 15616 1 1056 . 1 1 99 99 TRP HB2 H 1 3.025 0.015 . 1 . . . . 173 TRP HB2 . 15616 1 1057 . 1 1 99 99 TRP HB3 H 1 3.609 0.015 . 1 . . . . 173 TRP HB3 . 15616 1 1058 . 1 1 99 99 TRP HD1 H 1 7.309 0.015 . 1 . . . . 173 TRP HD1 . 15616 1 1059 . 1 1 99 99 TRP HE1 H 1 10.295 0.015 . 1 . . . . 173 TRP HE1 . 15616 1 1060 . 1 1 99 99 TRP HE3 H 1 7.588 0.015 . 1 . . . . 173 TRP HE3 . 15616 1 1061 . 1 1 99 99 TRP HH2 H 1 6.829 0.015 . 1 . . . . 173 TRP HH2 . 15616 1 1062 . 1 1 99 99 TRP HZ2 H 1 7.368 0.015 . 1 . . . . 173 TRP HZ2 . 15616 1 1063 . 1 1 99 99 TRP HZ3 H 1 6.701 0.015 . 1 . . . . 173 TRP HZ3 . 15616 1 1064 . 1 1 99 99 TRP C C 13 177.554 0.25 . 1 . . . . 173 TRP C . 15616 1 1065 . 1 1 99 99 TRP CA C 13 57.009 0.25 . 1 . . . . 173 TRP CA . 15616 1 1066 . 1 1 99 99 TRP CB C 13 29.635 0.25 . 1 . . . . 173 TRP CB . 15616 1 1067 . 1 1 99 99 TRP CD1 C 13 128.212 0.25 . 1 . . . . 173 TRP CD1 . 15616 1 1068 . 1 1 99 99 TRP CE3 C 13 121.739 0.25 . 1 . . . . 173 TRP CE3 . 15616 1 1069 . 1 1 99 99 TRP CH2 C 13 123.951 0.25 . 1 . . . . 173 TRP CH2 . 15616 1 1070 . 1 1 99 99 TRP CZ2 C 13 114.597 0.25 . 1 . . . . 173 TRP CZ2 . 15616 1 1071 . 1 1 99 99 TRP CZ3 C 13 121.748 0.25 . 1 . . . . 173 TRP CZ3 . 15616 1 1072 . 1 1 99 99 TRP N N 15 122.943 0.25 . 1 . . . . 173 TRP N . 15616 1 1073 . 1 1 99 99 TRP NE1 N 15 130.035 0.25 . 1 . . . . 173 TRP NE1 . 15616 1 1074 . 1 1 100 100 LEU H H 1 8.489 0.015 . 1 . . . . 174 LEU H . 15616 1 1075 . 1 1 100 100 LEU HA H 1 4.298 0.015 . 1 . . . . 174 LEU HA . 15616 1 1076 . 1 1 100 100 LEU HB2 H 1 1.337 0.015 . 1 . . . . 174 LEU HB2 . 15616 1 1077 . 1 1 100 100 LEU HB3 H 1 1.674 0.015 . 1 . . . . 174 LEU HB3 . 15616 1 1078 . 1 1 100 100 LEU HD11 H 1 0.717 0.015 . 1 . . . . 174 LEU HD11 . 15616 1 1079 . 1 1 100 100 LEU HD12 H 1 0.717 0.015 . 1 . . . . 174 LEU HD12 . 15616 1 1080 . 1 1 100 100 LEU HD13 H 1 0.717 0.015 . 1 . . . . 174 LEU HD13 . 15616 1 1081 . 1 1 100 100 LEU HD21 H 1 0.716 0.015 . 1 . . . . 174 LEU HD21 . 15616 1 1082 . 1 1 100 100 LEU HD22 H 1 0.716 0.015 . 1 . . . . 174 LEU HD22 . 15616 1 1083 . 1 1 100 100 LEU HD23 H 1 0.716 0.015 . 1 . . . . 174 LEU HD23 . 15616 1 1084 . 1 1 100 100 LEU C C 13 175.959 0.25 . 1 . . . . 174 LEU C . 15616 1 1085 . 1 1 100 100 LEU CA C 13 54.766 0.25 . 1 . . . . 174 LEU CA . 15616 1 1086 . 1 1 100 100 LEU CB C 13 42.490 0.25 . 1 . . . . 174 LEU CB . 15616 1 1087 . 1 1 100 100 LEU CD1 C 13 26.637 0.25 . 1 . . . . 174 LEU CD1 . 15616 1 1088 . 1 1 100 100 LEU CD2 C 13 23.436 0.25 . 1 . . . . 174 LEU CD2 . 15616 1 1089 . 1 1 100 100 LEU N N 15 122.253 0.25 . 1 . . . . 174 LEU N . 15616 1 1090 . 1 1 101 101 ASP H H 1 9.125 0.015 . 1 . . . . 175 ASP H . 15616 1 1091 . 1 1 101 101 ASP HA H 1 4.676 0.015 . 1 . . . . 175 ASP HA . 15616 1 1092 . 1 1 101 101 ASP HB2 H 1 2.617 0.015 . 1 . . . . 175 ASP HB2 . 15616 1 1093 . 1 1 101 101 ASP HB3 H 1 2.617 0.015 . 1 . . . . 175 ASP HB3 . 15616 1 1094 . 1 1 101 101 ASP C C 13 178.549 0.25 . 1 . . . . 175 ASP C . 15616 1 1095 . 1 1 101 101 ASP CA C 13 53.284 0.25 . 1 . . . . 175 ASP CA . 15616 1 1096 . 1 1 101 101 ASP CB C 13 41.249 0.25 . 1 . . . . 175 ASP CB . 15616 1 1097 . 1 1 101 101 ASP N N 15 121.643 0.25 . 1 . . . . 175 ASP N . 15616 1 1098 . 1 1 102 102 HIS H H 1 9.289 0.015 . 1 . . . . 176 HIS H . 15616 1 1099 . 1 1 102 102 HIS HA H 1 4.268 0.015 . 1 . . . . 176 HIS HA . 15616 1 1100 . 1 1 102 102 HIS HB2 H 1 3.035 0.015 . 1 . . . . 176 HIS HB2 . 15616 1 1101 . 1 1 102 102 HIS HB3 H 1 3.552 0.015 . 1 . . . . 176 HIS HB3 . 15616 1 1102 . 1 1 102 102 HIS HD2 H 1 6.960 0.015 . 1 . . . . 176 HIS HD2 . 15616 1 1103 . 1 1 102 102 HIS HE1 H 1 8.047 0.015 . 1 . . . . 176 HIS HE1 . 15616 1 1104 . 1 1 102 102 HIS C C 13 176.145 0.25 . 1 . . . . 176 HIS C . 15616 1 1105 . 1 1 102 102 HIS CA C 13 58.707 0.25 . 1 . . . . 176 HIS CA . 15616 1 1106 . 1 1 102 102 HIS CB C 13 27.981 0.25 . 1 . . . . 176 HIS CB . 15616 1 1107 . 1 1 102 102 HIS CD2 C 13 123.596 0.25 . 1 . . . . 176 HIS CD2 . 15616 1 1108 . 1 1 102 102 HIS CE1 C 13 138.615 0.25 . 1 . . . . 176 HIS CE1 . 15616 1 1109 . 1 1 102 102 HIS N N 15 126.517 0.25 . 1 . . . . 176 HIS N . 15616 1 1110 . 1 1 103 103 GLY H H 1 8.757 0.015 . 1 . . . . 177 GLY H . 15616 1 1111 . 1 1 103 103 GLY HA2 H 1 3.734 0.015 . 1 . . . . 177 GLY HA2 . 15616 1 1112 . 1 1 103 103 GLY HA3 H 1 4.364 0.015 . 1 . . . . 177 GLY HA3 . 15616 1 1113 . 1 1 103 103 GLY C C 13 173.364 0.25 . 1 . . . . 177 GLY C . 15616 1 1114 . 1 1 103 103 GLY CA C 13 44.956 0.25 . 1 . . . . 177 GLY CA . 15616 1 1115 . 1 1 103 103 GLY N N 15 105.425 0.25 . 1 . . . . 177 GLY N . 15616 1 1116 . 1 1 104 104 ARG H H 1 7.026 0.015 . 1 . . . . 178 ARG H . 15616 1 1117 . 1 1 104 104 ARG HA H 1 4.882 0.015 . 1 . . . . 178 ARG HA . 15616 1 1118 . 1 1 104 104 ARG HB2 H 1 1.991 0.015 . 1 . . . . 178 ARG HB2 . 15616 1 1119 . 1 1 104 104 ARG HB3 H 1 1.991 0.015 . 1 . . . . 178 ARG HB3 . 15616 1 1120 . 1 1 104 104 ARG HD2 H 1 3.026 0.015 . 1 . . . . 178 ARG HD2 . 15616 1 1121 . 1 1 104 104 ARG HD3 H 1 3.112 0.015 . 1 . . . . 178 ARG HD3 . 15616 1 1122 . 1 1 104 104 ARG HE H 1 7.462 0.015 . 1 . . . . 178 ARG HE . 15616 1 1123 . 1 1 104 104 ARG HG2 H 1 1.557 0.015 . 1 . . . . 178 ARG HG2 . 15616 1 1124 . 1 1 104 104 ARG HG3 H 1 1.639 0.015 . 1 . . . . 178 ARG HG3 . 15616 1 1125 . 1 1 104 104 ARG C C 13 176.089 0.25 . 1 . . . . 178 ARG C . 15616 1 1126 . 1 1 104 104 ARG CA C 13 53.771 0.25 . 1 . . . . 178 ARG CA . 15616 1 1127 . 1 1 104 104 ARG CB C 13 35.525 0.25 . 1 . . . . 178 ARG CB . 15616 1 1128 . 1 1 104 104 ARG CD C 13 43.863 0.25 . 1 . . . . 178 ARG CD . 15616 1 1129 . 1 1 104 104 ARG CG C 13 27.476 0.25 . 1 . . . . 178 ARG CG . 15616 1 1130 . 1 1 104 104 ARG N N 15 117.218 0.25 . 1 . . . . 178 ARG N . 15616 1 1131 . 1 1 104 104 ARG NE N 15 85.022 0.25 . 1 . . . . 178 ARG NE . 15616 1 1132 . 1 1 105 105 THR H H 1 9.021 0.015 . 1 . . . . 179 THR H . 15616 1 1133 . 1 1 105 105 THR HA H 1 4.548 0.015 . 1 . . . . 179 THR HA . 15616 1 1134 . 1 1 105 105 THR HB H 1 4.653 0.015 . 1 . . . . 179 THR HB . 15616 1 1135 . 1 1 105 105 THR HG21 H 1 1.062 0.015 . 1 . . . . 179 THR HG21 . 15616 1 1136 . 1 1 105 105 THR HG22 H 1 1.062 0.015 . 1 . . . . 179 THR HG22 . 15616 1 1137 . 1 1 105 105 THR HG23 H 1 1.062 0.015 . 1 . . . . 179 THR HG23 . 15616 1 1138 . 1 1 105 105 THR C C 13 178.839 0.25 . 1 . . . . 179 THR C . 15616 1 1139 . 1 1 105 105 THR CA C 13 60.894 0.25 . 1 . . . . 179 THR CA . 15616 1 1140 . 1 1 105 105 THR CB C 13 70.825 0.25 . 1 . . . . 179 THR CB . 15616 1 1141 . 1 1 105 105 THR CG2 C 13 21.104 0.25 . 1 . . . . 179 THR CG2 . 15616 1 1142 . 1 1 105 105 THR N N 15 112.074 0.25 . 1 . . . . 179 THR N . 15616 1 1143 . 1 1 106 106 LEU H H 1 9.170 0.015 . 1 . . . . 180 LEU H . 15616 1 1144 . 1 1 106 106 LEU HA H 1 3.885 0.015 . 1 . . . . 180 LEU HA . 15616 1 1145 . 1 1 106 106 LEU HB2 H 1 1.860 0.015 . 1 . . . . 180 LEU HB2 . 15616 1 1146 . 1 1 106 106 LEU HB3 H 1 1.297 0.015 . 1 . . . . 180 LEU HB3 . 15616 1 1147 . 1 1 106 106 LEU HD11 H 1 0.771 0.015 . 1 . . . . 180 LEU HD11 . 15616 1 1148 . 1 1 106 106 LEU HD12 H 1 0.771 0.015 . 1 . . . . 180 LEU HD12 . 15616 1 1149 . 1 1 106 106 LEU HD13 H 1 0.771 0.015 . 1 . . . . 180 LEU HD13 . 15616 1 1150 . 1 1 106 106 LEU HD21 H 1 0.640 0.015 . 1 . . . . 180 LEU HD21 . 15616 1 1151 . 1 1 106 106 LEU HD22 H 1 0.640 0.015 . 1 . . . . 180 LEU HD22 . 15616 1 1152 . 1 1 106 106 LEU HD23 H 1 0.640 0.015 . 1 . . . . 180 LEU HD23 . 15616 1 1153 . 1 1 106 106 LEU HG H 1 1.776 0.015 . 1 . . . . 180 LEU HG . 15616 1 1154 . 1 1 106 106 LEU C C 13 179.721 0.25 . 1 . . . . 180 LEU C . 15616 1 1155 . 1 1 106 106 LEU CA C 13 58.067 0.25 . 1 . . . . 180 LEU CA . 15616 1 1156 . 1 1 106 106 LEU CB C 13 40.861 0.25 . 1 . . . . 180 LEU CB . 15616 1 1157 . 1 1 106 106 LEU CD1 C 13 26.031 0.25 . 1 . . . . 180 LEU CD1 . 15616 1 1158 . 1 1 106 106 LEU CD2 C 13 23.937 0.25 . 1 . . . . 180 LEU CD2 . 15616 1 1159 . 1 1 106 106 LEU CG C 13 26.174 0.25 . 1 . . . . 180 LEU CG . 15616 1 1160 . 1 1 106 106 LEU N N 15 121.118 0.25 . 1 . . . . 180 LEU N . 15616 1 1161 . 1 1 107 107 ARG H H 1 8.508 0.015 . 1 . . . . 181 ARG H . 15616 1 1162 . 1 1 107 107 ARG HA H 1 4.056 0.015 . 1 . . . . 181 ARG HA . 15616 1 1163 . 1 1 107 107 ARG HB2 H 1 1.707 0.015 . 1 . . . . 181 ARG HB2 . 15616 1 1164 . 1 1 107 107 ARG HB3 H 1 1.846 0.015 . 1 . . . . 181 ARG HB3 . 15616 1 1165 . 1 1 107 107 ARG HD2 H 1 3.148 0.015 . 1 . . . . 181 ARG HD2 . 15616 1 1166 . 1 1 107 107 ARG HD3 H 1 3.148 0.015 . 1 . . . . 181 ARG HD3 . 15616 1 1167 . 1 1 107 107 ARG HG2 H 1 1.580 0.015 . 1 . . . . 181 ARG HG2 . 15616 1 1168 . 1 1 107 107 ARG HG3 H 1 1.580 0.015 . 1 . . . . 181 ARG HG3 . 15616 1 1169 . 1 1 107 107 ARG C C 13 180.358 0.25 . 1 . . . . 181 ARG C . 15616 1 1170 . 1 1 107 107 ARG CA C 13 58.744 0.25 . 1 . . . . 181 ARG CA . 15616 1 1171 . 1 1 107 107 ARG CB C 13 29.581 0.25 . 1 . . . . 181 ARG CB . 15616 1 1172 . 1 1 107 107 ARG CD C 13 42.978 0.25 . 1 . . . . 181 ARG CD . 15616 1 1173 . 1 1 107 107 ARG CG C 13 26.605 0.25 . 1 . . . . 181 ARG CG . 15616 1 1174 . 1 1 107 107 ARG N N 15 119.116 0.25 . 1 . . . . 181 ARG N . 15616 1 1175 . 1 1 108 108 GLU H H 1 7.783 0.015 . 1 . . . . 182 GLU H . 15616 1 1176 . 1 1 108 108 GLU HA H 1 4.078 0.015 . 1 . . . . 182 GLU HA . 15616 1 1177 . 1 1 108 108 GLU HB2 H 1 1.938 0.015 . 1 . . . . 182 GLU HB2 . 15616 1 1178 . 1 1 108 108 GLU HB3 H 1 2.233 0.015 . 1 . . . . 182 GLU HB3 . 15616 1 1179 . 1 1 108 108 GLU HG2 H 1 2.232 0.015 . 1 . . . . 182 GLU HG2 . 15616 1 1180 . 1 1 108 108 GLU HG3 H 1 2.396 0.015 . 1 . . . . 182 GLU HG3 . 15616 1 1181 . 1 1 108 108 GLU C C 13 176.851 0.25 . 1 . . . . 182 GLU C . 15616 1 1182 . 1 1 108 108 GLU CA C 13 57.944 0.25 . 1 . . . . 182 GLU CA . 15616 1 1183 . 1 1 108 108 GLU CB C 13 30.090 0.25 . 1 . . . . 182 GLU CB . 15616 1 1184 . 1 1 108 108 GLU CG C 13 37.340 0.25 . 1 . . . . 182 GLU CG . 15616 1 1185 . 1 1 108 108 GLU N N 15 117.972 0.25 . 1 . . . . 182 GLU N . 15616 1 1186 . 1 1 109 109 GLN H H 1 7.242 0.015 . 1 . . . . 183 GLN H . 15616 1 1187 . 1 1 109 109 GLN HA H 1 4.577 0.015 . 1 . . . . 183 GLN HA . 15616 1 1188 . 1 1 109 109 GLN HB2 H 1 2.084 0.015 . 1 . . . . 183 GLN HB2 . 15616 1 1189 . 1 1 109 109 GLN HB3 H 1 2.084 0.015 . 1 . . . . 183 GLN HB3 . 15616 1 1190 . 1 1 109 109 GLN HE21 H 1 6.405 0.015 . 1 . . . . 183 GLN HE21 . 15616 1 1191 . 1 1 109 109 GLN HE22 H 1 7.411 0.015 . 1 . . . . 183 GLN HE22 . 15616 1 1192 . 1 1 109 109 GLN HG2 H 1 2.311 0.015 . 1 . . . . 183 GLN HG2 . 15616 1 1193 . 1 1 109 109 GLN HG3 H 1 2.471 0.015 . 1 . . . . 183 GLN HG3 . 15616 1 1194 . 1 1 109 109 GLN C C 13 174.970 0.25 . 1 . . . . 183 GLN C . 15616 1 1195 . 1 1 109 109 GLN CA C 13 54.869 0.25 . 1 . . . . 183 GLN CA . 15616 1 1196 . 1 1 109 109 GLN CB C 13 30.282 0.25 . 1 . . . . 183 GLN CB . 15616 1 1197 . 1 1 109 109 GLN CG C 13 34.739 0.25 . 1 . . . . 183 GLN CG . 15616 1 1198 . 1 1 109 109 GLN N N 15 114.538 0.25 . 1 . . . . 183 GLN N . 15616 1 1199 . 1 1 109 109 GLN NE2 N 15 113.094 0.25 . 1 . . . . 183 GLN NE2 . 15616 1 1200 . 1 1 110 110 GLY H H 1 7.576 0.015 . 1 . . . . 184 GLY H . 15616 1 1201 . 1 1 110 110 GLY HA2 H 1 3.731 0.015 . 1 . . . . 184 GLY HA2 . 15616 1 1202 . 1 1 110 110 GLY HA3 H 1 3.995 0.015 . 1 . . . . 184 GLY HA3 . 15616 1 1203 . 1 1 110 110 GLY C C 13 173.847 0.25 . 1 . . . . 184 GLY C . 15616 1 1204 . 1 1 110 110 GLY CA C 13 46.183 0.25 . 1 . . . . 184 GLY CA . 15616 1 1205 . 1 1 110 110 GLY N N 15 107.387 0.25 . 1 . . . . 184 GLY N . 15616 1 1206 . 1 1 111 111 VAL H H 1 7.485 0.015 . 1 . . . . 185 VAL H . 15616 1 1207 . 1 1 111 111 VAL HA H 1 3.891 0.015 . 1 . . . . 185 VAL HA . 15616 1 1208 . 1 1 111 111 VAL HB H 1 1.689 0.015 . 1 . . . . 185 VAL HB . 15616 1 1209 . 1 1 111 111 VAL HG11 H 1 0.726 0.015 . 1 . . . . 185 VAL HG11 . 15616 1 1210 . 1 1 111 111 VAL HG12 H 1 0.726 0.015 . 1 . . . . 185 VAL HG12 . 15616 1 1211 . 1 1 111 111 VAL HG13 H 1 0.726 0.015 . 1 . . . . 185 VAL HG13 . 15616 1 1212 . 1 1 111 111 VAL HG21 H 1 0.791 0.015 . 1 . . . . 185 VAL HG21 . 15616 1 1213 . 1 1 111 111 VAL HG22 H 1 0.791 0.015 . 1 . . . . 185 VAL HG22 . 15616 1 1214 . 1 1 111 111 VAL HG23 H 1 0.791 0.015 . 1 . . . . 185 VAL HG23 . 15616 1 1215 . 1 1 111 111 VAL C C 13 176.480 0.25 . 1 . . . . 185 VAL C . 15616 1 1216 . 1 1 111 111 VAL CA C 13 62.097 0.25 . 1 . . . . 185 VAL CA . 15616 1 1217 . 1 1 111 111 VAL CB C 13 30.891 0.25 . 1 . . . . 185 VAL CB . 15616 1 1218 . 1 1 111 111 VAL CG1 C 13 21.200 0.25 . 1 . . . . 185 VAL CG1 . 15616 1 1219 . 1 1 111 111 VAL CG2 C 13 21.207 0.25 . 1 . . . . 185 VAL CG2 . 15616 1 1220 . 1 1 111 111 VAL N N 15 119.800 0.25 . 1 . . . . 185 VAL N . 15616 1 1221 . 1 1 112 112 GLU H H 1 8.935 0.015 . 1 . . . . 186 GLU H . 15616 1 1222 . 1 1 112 112 GLU HA H 1 4.355 0.015 . 1 . . . . 186 GLU HA . 15616 1 1223 . 1 1 112 112 GLU HB2 H 1 1.693 0.015 . 1 . . . . 186 GLU HB2 . 15616 1 1224 . 1 1 112 112 GLU HB3 H 1 2.186 0.015 . 1 . . . . 186 GLU HB3 . 15616 1 1225 . 1 1 112 112 GLU HG2 H 1 2.444 0.015 . 1 . . . . 186 GLU HG2 . 15616 1 1226 . 1 1 112 112 GLU HG3 H 1 2.254 0.015 . 1 . . . . 186 GLU HG3 . 15616 1 1227 . 1 1 112 112 GLU C C 13 177.022 0.25 . 1 . . . . 186 GLU C . 15616 1 1228 . 1 1 112 112 GLU CA C 13 55.650 0.25 . 1 . . . . 186 GLU CA . 15616 1 1229 . 1 1 112 112 GLU CB C 13 31.052 0.25 . 1 . . . . 186 GLU CB . 15616 1 1230 . 1 1 112 112 GLU CG C 13 36.315 0.25 . 1 . . . . 186 GLU CG . 15616 1 1231 . 1 1 112 112 GLU N N 15 130.417 0.25 . 1 . . . . 186 GLU N . 15616 1 1232 . 1 1 113 113 GLU H H 1 9.168 0.015 . 1 . . . . 187 GLU H . 15616 1 1233 . 1 1 113 113 GLU HA H 1 3.869 0.015 . 1 . . . . 187 GLU HA . 15616 1 1234 . 1 1 113 113 GLU HB2 H 1 2.006 0.015 . 1 . . . . 187 GLU HB2 . 15616 1 1235 . 1 1 113 113 GLU HB3 H 1 1.965 0.015 . 1 . . . . 187 GLU HB3 . 15616 1 1236 . 1 1 113 113 GLU HG2 H 1 2.143 0.015 . 1 . . . . 187 GLU HG2 . 15616 1 1237 . 1 1 113 113 GLU HG3 H 1 2.274 0.015 . 1 . . . . 187 GLU HG3 . 15616 1 1238 . 1 1 113 113 GLU C C 13 176.472 0.25 . 1 . . . . 187 GLU C . 15616 1 1239 . 1 1 113 113 GLU CA C 13 59.621 0.25 . 1 . . . . 187 GLU CA . 15616 1 1240 . 1 1 113 113 GLU CB C 13 29.447 0.25 . 1 . . . . 187 GLU CB . 15616 1 1241 . 1 1 113 113 GLU CG C 13 36.706 0.25 . 1 . . . . 187 GLU CG . 15616 1 1242 . 1 1 113 113 GLU N N 15 121.030 0.25 . 1 . . . . 187 GLU N . 15616 1 1243 . 1 1 114 114 HIS H H 1 7.613 0.015 . 1 . . . . 188 HIS H . 15616 1 1244 . 1 1 114 114 HIS HA H 1 4.549 0.015 . 1 . . . . 188 HIS HA . 15616 1 1245 . 1 1 114 114 HIS HB2 H 1 3.272 0.015 . 1 . . . . 188 HIS HB2 . 15616 1 1246 . 1 1 114 114 HIS HB3 H 1 3.018 0.015 . 1 . . . . 188 HIS HB3 . 15616 1 1247 . 1 1 114 114 HIS HD2 H 1 7.016 0.015 . 1 . . . . 188 HIS HD2 . 15616 1 1248 . 1 1 114 114 HIS HE1 H 1 7.859 0.015 . 1 . . . . 188 HIS HE1 . 15616 1 1249 . 1 1 114 114 HIS C C 13 175.608 0.25 . 1 . . . . 188 HIS C . 15616 1 1250 . 1 1 114 114 HIS CA C 13 55.864 0.25 . 1 . . . . 188 HIS CA . 15616 1 1251 . 1 1 114 114 HIS CB C 13 29.979 0.25 . 1 . . . . 188 HIS CB . 15616 1 1252 . 1 1 114 114 HIS CD2 C 13 118.587 0.25 . 1 . . . . 188 HIS CD2 . 15616 1 1253 . 1 1 114 114 HIS CE1 C 13 139.055 0.25 . 1 . . . . 188 HIS CE1 . 15616 1 1254 . 1 1 114 114 HIS N N 15 112.437 0.25 . 1 . . . . 188 HIS N . 15616 1 1255 . 1 1 115 115 GLU H H 1 6.982 0.015 . 1 . . . . 189 GLU H . 15616 1 1256 . 1 1 115 115 GLU HA H 1 4.036 0.015 . 1 . . . . 189 GLU HA . 15616 1 1257 . 1 1 115 115 GLU HB2 H 1 1.821 0.015 . 1 . . . . 189 GLU HB2 . 15616 1 1258 . 1 1 115 115 GLU HB3 H 1 1.902 0.015 . 1 . . . . 189 GLU HB3 . 15616 1 1259 . 1 1 115 115 GLU HG2 H 1 1.839 0.015 . 1 . . . . 189 GLU HG2 . 15616 1 1260 . 1 1 115 115 GLU HG3 H 1 2.012 0.015 . 1 . . . . 189 GLU HG3 . 15616 1 1261 . 1 1 115 115 GLU C C 13 175.813 0.25 . 1 . . . . 189 GLU C . 15616 1 1262 . 1 1 115 115 GLU CA C 13 57.480 0.25 . 1 . . . . 189 GLU CA . 15616 1 1263 . 1 1 115 115 GLU CB C 13 30.669 0.25 . 1 . . . . 189 GLU CB . 15616 1 1264 . 1 1 115 115 GLU CG C 13 37.693 0.25 . 1 . . . . 189 GLU CG . 15616 1 1265 . 1 1 115 115 GLU N N 15 121.462 0.25 . 1 . . . . 189 GLU N . 15616 1 1266 . 1 1 116 116 THR H H 1 8.663 0.015 . 1 . . . . 190 THR H . 15616 1 1267 . 1 1 116 116 THR HA H 1 4.602 0.015 . 1 . . . . 190 THR HA . 15616 1 1268 . 1 1 116 116 THR HB H 1 3.921 0.015 . 1 . . . . 190 THR HB . 15616 1 1269 . 1 1 116 116 THR HG21 H 1 0.968 0.015 . 1 . . . . 190 THR HG21 . 15616 1 1270 . 1 1 116 116 THR HG22 H 1 0.968 0.015 . 1 . . . . 190 THR HG22 . 15616 1 1271 . 1 1 116 116 THR HG23 H 1 0.968 0.015 . 1 . . . . 190 THR HG23 . 15616 1 1272 . 1 1 116 116 THR C C 13 173.968 0.25 . 1 . . . . 190 THR C . 15616 1 1273 . 1 1 116 116 THR CA C 13 62.035 0.25 . 1 . . . . 190 THR CA . 15616 1 1274 . 1 1 116 116 THR CB C 13 69.273 0.25 . 1 . . . . 190 THR CB . 15616 1 1275 . 1 1 116 116 THR CG2 C 13 22.037 0.25 . 1 . . . . 190 THR CG2 . 15616 1 1276 . 1 1 116 116 THR N N 15 120.887 0.25 . 1 . . . . 190 THR N . 15616 1 1277 . 1 1 117 117 LEU H H 1 8.421 0.015 . 1 . . . . 191 LEU H . 15616 1 1278 . 1 1 117 117 LEU HA H 1 4.963 0.015 . 1 . . . . 191 LEU HA . 15616 1 1279 . 1 1 117 117 LEU HB2 H 1 1.274 0.015 . 1 . . . . 191 LEU HB2 . 15616 1 1280 . 1 1 117 117 LEU HB3 H 1 1.632 0.015 . 1 . . . . 191 LEU HB3 . 15616 1 1281 . 1 1 117 117 LEU HD11 H 1 0.822 0.015 . 1 . . . . 191 LEU HD11 . 15616 1 1282 . 1 1 117 117 LEU HD12 H 1 0.822 0.015 . 1 . . . . 191 LEU HD12 . 15616 1 1283 . 1 1 117 117 LEU HD13 H 1 0.822 0.015 . 1 . . . . 191 LEU HD13 . 15616 1 1284 . 1 1 117 117 LEU HD21 H 1 0.784 0.015 . 1 . . . . 191 LEU HD21 . 15616 1 1285 . 1 1 117 117 LEU HD22 H 1 0.784 0.015 . 1 . . . . 191 LEU HD22 . 15616 1 1286 . 1 1 117 117 LEU HD23 H 1 0.784 0.015 . 1 . . . . 191 LEU HD23 . 15616 1 1287 . 1 1 117 117 LEU HG H 1 1.651 0.015 . 1 . . . . 191 LEU HG . 15616 1 1288 . 1 1 117 117 LEU C C 13 174.612 0.25 . 1 . . . . 191 LEU C . 15616 1 1289 . 1 1 117 117 LEU CA C 13 52.342 0.25 . 1 . . . . 191 LEU CA . 15616 1 1290 . 1 1 117 117 LEU CB C 13 44.147 0.25 . 1 . . . . 191 LEU CB . 15616 1 1291 . 1 1 117 117 LEU CD1 C 13 27.224 0.25 . 1 . . . . 191 LEU CD1 . 15616 1 1292 . 1 1 117 117 LEU CD2 C 13 23.242 0.25 . 1 . . . . 191 LEU CD2 . 15616 1 1293 . 1 1 117 117 LEU CG C 13 27.149 0.25 . 1 . . . . 191 LEU CG . 15616 1 1294 . 1 1 117 117 LEU N N 15 125.784 0.25 . 1 . . . . 191 LEU N . 15616 1 1295 . 1 1 118 118 LEU H H 1 9.087 0.015 . 1 . . . . 192 LEU H . 15616 1 1296 . 1 1 118 118 LEU HA H 1 4.751 0.015 . 1 . . . . 192 LEU HA . 15616 1 1297 . 1 1 118 118 LEU HB2 H 1 1.565 0.015 . 1 . . . . 192 LEU HB2 . 15616 1 1298 . 1 1 118 118 LEU HB3 H 1 1.454 0.015 . 1 . . . . 192 LEU HB3 . 15616 1 1299 . 1 1 118 118 LEU HD11 H 1 0.716 0.015 . 1 . . . . 192 LEU HD11 . 15616 1 1300 . 1 1 118 118 LEU HD12 H 1 0.716 0.015 . 1 . . . . 192 LEU HD12 . 15616 1 1301 . 1 1 118 118 LEU HD13 H 1 0.716 0.015 . 1 . . . . 192 LEU HD13 . 15616 1 1302 . 1 1 118 118 LEU HD21 H 1 0.746 0.015 . 1 . . . . 192 LEU HD21 . 15616 1 1303 . 1 1 118 118 LEU HD22 H 1 0.746 0.015 . 1 . . . . 192 LEU HD22 . 15616 1 1304 . 1 1 118 118 LEU HD23 H 1 0.746 0.015 . 1 . . . . 192 LEU HD23 . 15616 1 1305 . 1 1 118 118 LEU HG H 1 1.381 0.015 . 1 . . . . 192 LEU HG . 15616 1 1306 . 1 1 118 118 LEU C C 13 175.637 0.25 . 1 . . . . 192 LEU C . 15616 1 1307 . 1 1 118 118 LEU CA C 13 53.902 0.25 . 1 . . . . 192 LEU CA . 15616 1 1308 . 1 1 118 118 LEU CB C 13 42.917 0.25 . 1 . . . . 192 LEU CB . 15616 1 1309 . 1 1 118 118 LEU CD1 C 13 24.882 0.25 . 1 . . . . 192 LEU CD1 . 15616 1 1310 . 1 1 118 118 LEU CD2 C 13 24.092 0.25 . 1 . . . . 192 LEU CD2 . 15616 1 1311 . 1 1 118 118 LEU CG C 13 27.135 0.25 . 1 . . . . 192 LEU CG . 15616 1 1312 . 1 1 118 118 LEU N N 15 121.460 0.25 . 1 . . . . 192 LEU N . 15616 1 1313 . 1 1 119 119 LEU H H 1 8.017 0.015 . 1 . . . . 193 LEU H . 15616 1 1314 . 1 1 119 119 LEU HA H 1 4.900 0.015 . 1 . . . . 193 LEU HA . 15616 1 1315 . 1 1 119 119 LEU HB2 H 1 1.057 0.015 . 1 . . . . 193 LEU HB2 . 15616 1 1316 . 1 1 119 119 LEU HB3 H 1 1.904 0.015 . 1 . . . . 193 LEU HB3 . 15616 1 1317 . 1 1 119 119 LEU HD11 H 1 0.621 0.015 . 1 . . . . 193 LEU HD11 . 15616 1 1318 . 1 1 119 119 LEU HD12 H 1 0.621 0.015 . 1 . . . . 193 LEU HD12 . 15616 1 1319 . 1 1 119 119 LEU HD13 H 1 0.621 0.015 . 1 . . . . 193 LEU HD13 . 15616 1 1320 . 1 1 119 119 LEU HD21 H 1 0.781 0.015 . 1 . . . . 193 LEU HD21 . 15616 1 1321 . 1 1 119 119 LEU HD22 H 1 0.781 0.015 . 1 . . . . 193 LEU HD22 . 15616 1 1322 . 1 1 119 119 LEU HD23 H 1 0.781 0.015 . 1 . . . . 193 LEU HD23 . 15616 1 1323 . 1 1 119 119 LEU HG H 1 1.427 0.015 . 1 . . . . 193 LEU HG . 15616 1 1324 . 1 1 119 119 LEU C C 13 175.590 0.25 . 1 . . . . 193 LEU C . 15616 1 1325 . 1 1 119 119 LEU CA C 13 54.360 0.25 . 1 . . . . 193 LEU CA . 15616 1 1326 . 1 1 119 119 LEU CB C 13 43.194 0.25 . 1 . . . . 193 LEU CB . 15616 1 1327 . 1 1 119 119 LEU CD1 C 13 26.383 0.25 . 1 . . . . 193 LEU CD1 . 15616 1 1328 . 1 1 119 119 LEU CD2 C 13 24.078 0.25 . 1 . . . . 193 LEU CD2 . 15616 1 1329 . 1 1 119 119 LEU CG C 13 27.170 0.25 . 1 . . . . 193 LEU CG . 15616 1 1330 . 1 1 119 119 LEU N N 15 126.254 0.25 . 1 . . . . 193 LEU N . 15616 1 1331 . 1 1 120 120 ARG H H 1 8.652 0.015 . 1 . . . . 194 ARG H . 15616 1 1332 . 1 1 120 120 ARG HA H 1 4.762 0.015 . 1 . . . . 194 ARG HA . 15616 1 1333 . 1 1 120 120 ARG HB2 H 1 1.762 0.015 . 1 . . . . 194 ARG HB2 . 15616 1 1334 . 1 1 120 120 ARG HB3 H 1 1.533 0.015 . 1 . . . . 194 ARG HB3 . 15616 1 1335 . 1 1 120 120 ARG HD2 H 1 2.994 0.015 . 1 . . . . 194 ARG HD2 . 15616 1 1336 . 1 1 120 120 ARG HD3 H 1 2.994 0.015 . 1 . . . . 194 ARG HD3 . 15616 1 1337 . 1 1 120 120 ARG HG2 H 1 1.454 0.015 . 1 . . . . 194 ARG HG2 . 15616 1 1338 . 1 1 120 120 ARG HG3 H 1 1.454 0.015 . 1 . . . . 194 ARG HG3 . 15616 1 1339 . 1 1 120 120 ARG C C 13 174.080 0.25 . 1 . . . . 194 ARG C . 15616 1 1340 . 1 1 120 120 ARG CA C 13 53.842 0.25 . 1 . . . . 194 ARG CA . 15616 1 1341 . 1 1 120 120 ARG CB C 13 34.265 0.25 . 1 . . . . 194 ARG CB . 15616 1 1342 . 1 1 120 120 ARG CD C 13 42.926 0.25 . 1 . . . . 194 ARG CD . 15616 1 1343 . 1 1 120 120 ARG CG C 13 26.592 0.25 . 1 . . . . 194 ARG CG . 15616 1 1344 . 1 1 120 120 ARG N N 15 125.681 0.25 . 1 . . . . 194 ARG N . 15616 1 1345 . 1 1 121 121 ARG H H 1 8.785 0.015 . 1 . . . . 195 ARG H . 15616 1 1346 . 1 1 121 121 ARG HA H 1 3.620 0.015 . 1 . . . . 195 ARG HA . 15616 1 1347 . 1 1 121 121 ARG HB2 H 1 1.228 0.015 . 1 . . . . 195 ARG HB2 . 15616 1 1348 . 1 1 121 121 ARG HB3 H 1 1.543 0.015 . 1 . . . . 195 ARG HB3 . 15616 1 1349 . 1 1 121 121 ARG HD2 H 1 2.731 0.015 . 1 . . . . 195 ARG HD2 . 15616 1 1350 . 1 1 121 121 ARG HD3 H 1 2.731 0.015 . 1 . . . . 195 ARG HD3 . 15616 1 1351 . 1 1 121 121 ARG HG2 H 1 0.822 0.015 . 1 . . . . 195 ARG HG2 . 15616 1 1352 . 1 1 121 121 ARG HG3 H 1 0.822 0.015 . 1 . . . . 195 ARG HG3 . 15616 1 1353 . 1 1 121 121 ARG C C 13 174.925 0.25 . 1 . . . . 195 ARG C . 15616 1 1354 . 1 1 121 121 ARG CA C 13 56.609 0.25 . 1 . . . . 195 ARG CA . 15616 1 1355 . 1 1 121 121 ARG CB C 13 30.147 0.25 . 1 . . . . 195 ARG CB . 15616 1 1356 . 1 1 121 121 ARG CD C 13 43.230 0.25 . 1 . . . . 195 ARG CD . 15616 1 1357 . 1 1 121 121 ARG CG C 13 26.871 0.25 . 1 . . . . 195 ARG CG . 15616 1 1358 . 1 1 121 121 ARG N N 15 125.176 0.25 . 1 . . . . 195 ARG N . 15616 1 1359 . 1 1 122 122 LYS H H 1 8.391 0.015 . 1 . . . . 196 LYS H . 15616 1 1360 . 1 1 122 122 LYS HA H 1 3.828 0.015 . 1 . . . . 196 LYS HA . 15616 1 1361 . 1 1 122 122 LYS HB2 H 1 0.858 0.015 . 1 . . . . 196 LYS HB2 . 15616 1 1362 . 1 1 122 122 LYS HB3 H 1 0.917 0.015 . 1 . . . . 196 LYS HB3 . 15616 1 1363 . 1 1 122 122 LYS HD2 H 1 0.845 0.015 . 1 . . . . 196 LYS HD2 . 15616 1 1364 . 1 1 122 122 LYS HD3 H 1 0.503 0.015 . 1 . . . . 196 LYS HD3 . 15616 1 1365 . 1 1 122 122 LYS HE2 H 1 1.939 0.015 . 1 . . . . 196 LYS HE2 . 15616 1 1366 . 1 1 122 122 LYS HE3 H 1 2.200 0.015 . 1 . . . . 196 LYS HE3 . 15616 1 1367 . 1 1 122 122 LYS HG2 H 1 0.131 0.015 . 1 . . . . 196 LYS HG2 . 15616 1 1368 . 1 1 122 122 LYS HG3 H 1 0.166 0.015 . 1 . . . . 196 LYS HG3 . 15616 1 1369 . 1 1 122 122 LYS C C 13 175.080 0.25 . 1 . . . . 196 LYS C . 15616 1 1370 . 1 1 122 122 LYS CA C 13 56.686 0.25 . 1 . . . . 196 LYS CA . 15616 1 1371 . 1 1 122 122 LYS CB C 13 34.290 0.25 . 1 . . . . 196 LYS CB . 15616 1 1372 . 1 1 122 122 LYS CD C 13 28.975 0.25 . 1 . . . . 196 LYS CD . 15616 1 1373 . 1 1 122 122 LYS CE C 13 41.386 0.25 . 1 . . . . 196 LYS CE . 15616 1 1374 . 1 1 122 122 LYS CG C 13 24.729 0.25 . 1 . . . . 196 LYS CG . 15616 1 1375 . 1 1 122 122 LYS N N 15 126.993 0.25 . 1 . . . . 196 LYS N . 15616 1 1376 . 1 1 123 123 PHE H H 1 7.593 0.015 . 1 . . . . 197 PHE H . 15616 1 1377 . 1 1 123 123 PHE HA H 1 4.526 0.015 . 1 . . . . 197 PHE HA . 15616 1 1378 . 1 1 123 123 PHE HB2 H 1 2.458 0.015 . 1 . . . . 197 PHE HB2 . 15616 1 1379 . 1 1 123 123 PHE HB3 H 1 2.715 0.015 . 1 . . . . 197 PHE HB3 . 15616 1 1380 . 1 1 123 123 PHE HD1 H 1 7.044 0.015 . 3 . . . . 197 PHE HD1 . 15616 1 1381 . 1 1 123 123 PHE HD2 H 1 7.044 0.015 . 3 . . . . 197 PHE HD2 . 15616 1 1382 . 1 1 123 123 PHE HE1 H 1 7.122 0.015 . 3 . . . . 197 PHE HE1 . 15616 1 1383 . 1 1 123 123 PHE HE2 H 1 7.122 0.015 . 3 . . . . 197 PHE HE2 . 15616 1 1384 . 1 1 123 123 PHE C C 13 173.906 0.25 . 1 . . . . 197 PHE C . 15616 1 1385 . 1 1 123 123 PHE CA C 13 55.945 0.25 . 1 . . . . 197 PHE CA . 15616 1 1386 . 1 1 123 123 PHE CB C 13 40.885 0.25 . 1 . . . . 197 PHE CB . 15616 1 1387 . 1 1 123 123 PHE CD1 C 13 131.862 0.25 . 3 . . . . 197 PHE CD1 . 15616 1 1388 . 1 1 123 123 PHE CD2 C 13 131.862 0.25 . 3 . . . . 197 PHE CD2 . 15616 1 1389 . 1 1 123 123 PHE CE1 C 13 131.276 0.25 . 3 . . . . 197 PHE CE1 . 15616 1 1390 . 1 1 123 123 PHE CE2 C 13 131.276 0.25 . 3 . . . . 197 PHE CE2 . 15616 1 1391 . 1 1 123 123 PHE N N 15 117.499 0.25 . 1 . . . . 197 PHE N . 15616 1 1392 . 1 1 124 124 PHE H H 1 8.197 0.015 . 1 . . . . 198 PHE H . 15616 1 1393 . 1 1 124 124 PHE HA H 1 4.459 0.015 . 1 . . . . 198 PHE HA . 15616 1 1394 . 1 1 124 124 PHE HB2 H 1 2.979 0.015 . 1 . . . . 198 PHE HB2 . 15616 1 1395 . 1 1 124 124 PHE HB3 H 1 2.711 0.015 . 1 . . . . 198 PHE HB3 . 15616 1 1396 . 1 1 124 124 PHE HD1 H 1 6.984 0.015 . 3 . . . . 198 PHE HD1 . 15616 1 1397 . 1 1 124 124 PHE HD2 H 1 6.984 0.015 . 3 . . . . 198 PHE HD2 . 15616 1 1398 . 1 1 124 124 PHE HE1 H 1 7.111 0.015 . 3 . . . . 198 PHE HE1 . 15616 1 1399 . 1 1 124 124 PHE HE2 H 1 7.111 0.015 . 3 . . . . 198 PHE HE2 . 15616 1 1400 . 1 1 124 124 PHE C C 13 175.117 0.25 . 1 . . . . 198 PHE C . 15616 1 1401 . 1 1 124 124 PHE CA C 13 56.833 0.25 . 1 . . . . 198 PHE CA . 15616 1 1402 . 1 1 124 124 PHE CB C 13 39.308 0.25 . 1 . . . . 198 PHE CB . 15616 1 1403 . 1 1 124 124 PHE CD1 C 13 131.723 0.25 . 3 . . . . 198 PHE CD1 . 15616 1 1404 . 1 1 124 124 PHE CD2 C 13 131.723 0.25 . 3 . . . . 198 PHE CD2 . 15616 1 1405 . 1 1 124 124 PHE CE1 C 13 129.266 0.25 . 3 . . . . 198 PHE CE1 . 15616 1 1406 . 1 1 124 124 PHE CE2 C 13 129.266 0.25 . 3 . . . . 198 PHE CE2 . 15616 1 1407 . 1 1 124 124 PHE N N 15 119.975 0.25 . 1 . . . . 198 PHE N . 15616 1 1408 . 1 1 125 125 TYR H H 1 7.902 0.015 . 1 . . . . 199 TYR H . 15616 1 1409 . 1 1 125 125 TYR HA H 1 4.526 0.015 . 1 . . . . 199 TYR HA . 15616 1 1410 . 1 1 125 125 TYR HB2 H 1 2.819 0.015 . 1 . . . . 199 TYR HB2 . 15616 1 1411 . 1 1 125 125 TYR HB3 H 1 3.003 0.015 . 1 . . . . 199 TYR HB3 . 15616 1 1412 . 1 1 125 125 TYR HD1 H 1 7.010 0.015 . 3 . . . . 199 TYR HD1 . 15616 1 1413 . 1 1 125 125 TYR HD2 H 1 7.010 0.015 . 3 . . . . 199 TYR HD2 . 15616 1 1414 . 1 1 125 125 TYR HE1 H 1 6.634 0.015 . 3 . . . . 199 TYR HE1 . 15616 1 1415 . 1 1 125 125 TYR HE2 H 1 6.634 0.015 . 3 . . . . 199 TYR HE2 . 15616 1 1416 . 1 1 125 125 TYR C C 13 176.217 0.25 . 1 . . . . 199 TYR C . 15616 1 1417 . 1 1 125 125 TYR CA C 13 57.398 0.25 . 1 . . . . 199 TYR CA . 15616 1 1418 . 1 1 125 125 TYR CB C 13 38.429 0.25 . 1 . . . . 199 TYR CB . 15616 1 1419 . 1 1 125 125 TYR CD1 C 13 132.838 0.25 . 3 . . . . 199 TYR CD1 . 15616 1 1420 . 1 1 125 125 TYR CD2 C 13 132.838 0.25 . 3 . . . . 199 TYR CD2 . 15616 1 1421 . 1 1 125 125 TYR CE1 C 13 118.186 0.25 . 3 . . . . 199 TYR CE1 . 15616 1 1422 . 1 1 125 125 TYR CE2 C 13 118.186 0.25 . 3 . . . . 199 TYR CE2 . 15616 1 1423 . 1 1 125 125 TYR N N 15 121.184 0.25 . 1 . . . . 199 TYR N . 15616 1 1424 . 1 1 126 126 SER H H 1 8.305 0.015 . 1 . . . . 200 SER H . 15616 1 1425 . 1 1 126 126 SER HA H 1 4.387 0.015 . 1 . . . . 200 SER HA . 15616 1 1426 . 1 1 126 126 SER HB2 H 1 3.752 0.015 . 1 . . . . 200 SER HB2 . 15616 1 1427 . 1 1 126 126 SER HB3 H 1 3.858 0.015 . 1 . . . . 200 SER HB3 . 15616 1 1428 . 1 1 126 126 SER C C 13 173.997 0.25 . 1 . . . . 200 SER C . 15616 1 1429 . 1 1 126 126 SER CA C 13 58.088 0.25 . 1 . . . . 200 SER CA . 15616 1 1430 . 1 1 126 126 SER CB C 13 63.548 0.25 . 1 . . . . 200 SER CB . 15616 1 1431 . 1 1 126 126 SER N N 15 116.500 0.25 . 1 . . . . 200 SER N . 15616 1 1432 . 1 1 127 127 ASP H H 1 8.207 0.015 . 1 . . . . 201 ASP H . 15616 1 1433 . 1 1 127 127 ASP HA H 1 4.624 0.015 . 1 . . . . 201 ASP HA . 15616 1 1434 . 1 1 127 127 ASP HB2 H 1 2.635 0.015 . 1 . . . . 201 ASP HB2 . 15616 1 1435 . 1 1 127 127 ASP HB3 H 1 2.709 0.015 . 1 . . . . 201 ASP HB3 . 15616 1 1436 . 1 1 127 127 ASP C C 13 175.241 0.25 . 1 . . . . 201 ASP C . 15616 1 1437 . 1 1 127 127 ASP CA C 13 54.177 0.25 . 1 . . . . 201 ASP CA . 15616 1 1438 . 1 1 127 127 ASP CB C 13 40.713 0.25 . 1 . . . . 201 ASP CB . 15616 1 1439 . 1 1 127 127 ASP N N 15 122.179 0.25 . 1 . . . . 201 ASP N . 15616 1 1440 . 1 1 128 128 GLN H H 1 7.745 0.015 . 1 . . . . 202 GLN H . 15616 1 1441 . 1 1 128 128 GLN HA H 1 4.106 0.015 . 1 . . . . 202 GLN HA . 15616 1 1442 . 1 1 128 128 GLN HB2 H 1 2.081 0.015 . 1 . . . . 202 GLN HB2 . 15616 1 1443 . 1 1 128 128 GLN HB3 H 1 1.875 0.015 . 1 . . . . 202 GLN HB3 . 15616 1 1444 . 1 1 128 128 GLN HE21 H 1 6.718 0.015 . 1 . . . . 202 GLN HE21 . 15616 1 1445 . 1 1 128 128 GLN HE22 H 1 7.464 0.015 . 1 . . . . 202 GLN HE22 . 15616 1 1446 . 1 1 128 128 GLN HG2 H 1 2.247 0.015 . 1 . . . . 202 GLN HG2 . 15616 1 1447 . 1 1 128 128 GLN HG3 H 1 2.247 0.015 . 1 . . . . 202 GLN HG3 . 15616 1 1448 . 1 1 128 128 GLN C C 13 180.545 0.25 . 1 . . . . 202 GLN C . 15616 1 1449 . 1 1 128 128 GLN CA C 13 57.037 0.25 . 1 . . . . 202 GLN CA . 15616 1 1450 . 1 1 128 128 GLN CB C 13 30.183 0.25 . 1 . . . . 202 GLN CB . 15616 1 1451 . 1 1 128 128 GLN CG C 13 33.957 0.25 . 1 . . . . 202 GLN CG . 15616 1 1452 . 1 1 128 128 GLN N N 15 124.314 0.25 . 1 . . . . 202 GLN N . 15616 1 1453 . 1 1 128 128 GLN NE2 N 15 112.296 0.25 . 1 . . . . 202 GLN NE2 . 15616 1 stop_ save_