data_16959 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16959 _Entry.Title ; Chemical shift assignments of the Talin F1F2 double domain (residues 86-303 (delta D139-D168)) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-27 _Entry.Accession_date 2010-05-27 _Entry.Last_release_date 2014-03-10 _Entry.Original_release_date 2014-03-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ben Goult . T. . 16959 2 Igor Barsukov . L. . 16959 3 Gordon Roberts . C.K. . 16959 4 David Critchley . R. . 16959 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16959 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 558 16959 '15N chemical shifts' 185 16959 '1H chemical shifts' 185 16959 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 . . 2014-03-10 2010-05-27 original author . 16959 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15457 'domain, 1655-1822' 16959 BMRB 15458 'F0 domain (residues 1-85)' 16959 BMRB 15615 'F0F1 double domain' 16959 BMRB 15616 F1 16959 BMRB 15625 'Residues 1815-1973' 16959 BMRB 16930 'F2 domain (residues 196-309)' 16959 BMRB 16932 'F2F3 domain (residues 196-405)' 16959 BMRB 17070 'domain C' 16959 PDB 2KBB 'structure entry' 16959 PDB 2KMA 'structure entry' 16959 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16959 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20947018 _Citation.Full_citation . _Citation.Title 'The Structure of the talin head reveals a novel extended conformation of the FERM domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 18 _Citation.Journal_issue 10 _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 1288 _Citation.Page_last 1299 _Citation.Year 2010 _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 Paul Elliott . R. . 16959 1 2 Benjamin Goult . T. . 16959 1 3 Petra Kopp . M. . 16959 1 4 Neil Bate . . . 16959 1 5 J. Grossmann . G. . 16959 1 6 Gordon Roberts . C.K. . 16959 1 7 David Critchley . R. . 16959 1 8 Igor Barsukov . L. . 16959 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID cytoskeleton 16959 1 dynamics 16959 1 'focal adhesion' 16959 1 integrin 16959 1 talin 16959 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16959 _Assembly.ID 1 _Assembly.Name F1F2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 22616.8 _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 F1F2 1 $F1F2 A . yes native no no . . . 16959 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2KC2 . . 'solution NMR' . 'Subdomain of the sample' 'Structure of F1 subdomain of talin' 16959 1 yes PDB 2KMA . . 'solution NMR' . 'Subdomain of the sample containing the loop deletion' 'Structure of the F0F1 domain of talin containing the loop deletion identical to the sample studied here.' 16959 1 yes PDB 3IVF . . X-ray . 'Full talin head' 'Structure of the whole talin head with the same loop deletion studied here.' 16959 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Actin binding' 16959 1 'Integrin activation' 16959 1 'Phospholipid binding' 16959 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_F1F2 _Entity.Sf_category entity _Entity.Sf_framecode F1F2 _Entity.Entry_ID 16959 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name F1F2 _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 ; GIDPFTRPLKIRMLDGTVKT IMVDDSKTVTDMLMTICARI GITNHDEYSLVRELMEEKKD ELNWLDHGRTLREQGVEEHE TLLLRRKFFYSDQNVDSRDP VQLNLLYVQARDDILNGSHP VSFDKACEFAGFQCQIQFGP HNEQKHKAGFLDLKDFLPKE YVKQKGERKIFQAHKNCGQM SEIEAKVRYVKLAR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues D139-D168 were deleted from the protein' _Entity.Polymer_author_seq_details 'Residues 1-6 (80-85) represent a non-native affinity 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 194 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'Residues D139-D168 inclusive were deleted from the protein' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22616.8 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes SWS P26039 . . . . . . . . . . . . . . . . 16959 1 2 no BMRB 15792 . talin-F2F3 . . . . . 51.03 201 100.00 100.00 2.09e-65 . . . . 16959 1 3 no BMRB 16930 . F2 . . . . . 55.67 120 100.00 100.00 1.48e-72 . . . . 16959 1 4 no BMRB 16932 . F2F3 . . . . . 55.67 216 100.00 100.00 2.26e-72 . . . . 16959 1 5 no PDB 3IVF . "Crystal Structure Of The Talin Head Ferm Domain" . . . . . 97.42 371 99.47 99.47 1.54e-132 . . . . 16959 1 6 no PDB 4F7G . "Crystal Structure Of Talin Autoinhibition Complex" . . . . . 51.03 222 98.99 98.99 3.23e-64 . . . . 16959 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16959 1 2 . ILE . 16959 1 3 . ASP . 16959 1 4 . PRO . 16959 1 5 . PHE . 16959 1 6 . THR . 16959 1 7 . ARG . 16959 1 8 . PRO . 16959 1 9 . LEU . 16959 1 10 . LYS . 16959 1 11 . ILE . 16959 1 12 . ARG . 16959 1 13 . MET . 16959 1 14 . LEU . 16959 1 15 . ASP . 16959 1 16 . GLY . 16959 1 17 . THR . 16959 1 18 . VAL . 16959 1 19 . LYS . 16959 1 20 . THR . 16959 1 21 . ILE . 16959 1 22 . MET . 16959 1 23 . VAL . 16959 1 24 . ASP . 16959 1 25 . ASP . 16959 1 26 . SER . 16959 1 27 . LYS . 16959 1 28 . THR . 16959 1 29 . VAL . 16959 1 30 . THR . 16959 1 31 . ASP . 16959 1 32 . MET . 16959 1 33 . LEU . 16959 1 34 . MET . 16959 1 35 . THR . 16959 1 36 . ILE . 16959 1 37 . CYS . 16959 1 38 . ALA . 16959 1 39 . ARG . 16959 1 40 . ILE . 16959 1 41 . GLY . 16959 1 42 . ILE . 16959 1 43 . THR . 16959 1 44 . ASN . 16959 1 45 . HIS . 16959 1 46 . ASP . 16959 1 47 . GLU . 16959 1 48 . TYR . 16959 1 49 . SER . 16959 1 50 . LEU . 16959 1 51 . VAL . 16959 1 52 . ARG . 16959 1 53 . GLU . 16959 1 54 . LEU . 16959 1 55 . MET . 16959 1 56 . GLU . 16959 1 57 . GLU . 16959 1 58 . LYS . 16959 1 59 . LYS . 16959 1 60 . ASP . 16959 1 61 . GLU . 16959 1 62 . LEU . 16959 1 63 . ASN . 16959 1 64 . TRP . 16959 1 65 . LEU . 16959 1 66 . ASP . 16959 1 67 . HIS . 16959 1 68 . GLY . 16959 1 69 . ARG . 16959 1 70 . THR . 16959 1 71 . LEU . 16959 1 72 . ARG . 16959 1 73 . GLU . 16959 1 74 . GLN . 16959 1 75 . GLY . 16959 1 76 . VAL . 16959 1 77 . GLU . 16959 1 78 . GLU . 16959 1 79 . HIS . 16959 1 80 . GLU . 16959 1 81 . THR . 16959 1 82 . LEU . 16959 1 83 . LEU . 16959 1 84 . LEU . 16959 1 85 . ARG . 16959 1 86 . ARG . 16959 1 87 . LYS . 16959 1 88 . PHE . 16959 1 89 . PHE . 16959 1 90 . TYR . 16959 1 91 . SER . 16959 1 92 . ASP . 16959 1 93 . GLN . 16959 1 94 . ASN . 16959 1 95 . VAL . 16959 1 96 . ASP . 16959 1 97 . SER . 16959 1 98 . ARG . 16959 1 99 . ASP . 16959 1 100 . PRO . 16959 1 101 . VAL . 16959 1 102 . GLN . 16959 1 103 . LEU . 16959 1 104 . ASN . 16959 1 105 . LEU . 16959 1 106 . LEU . 16959 1 107 . TYR . 16959 1 108 . VAL . 16959 1 109 . GLN . 16959 1 110 . ALA . 16959 1 111 . ARG . 16959 1 112 . ASP . 16959 1 113 . ASP . 16959 1 114 . ILE . 16959 1 115 . LEU . 16959 1 116 . ASN . 16959 1 117 . GLY . 16959 1 118 . SER . 16959 1 119 . HIS . 16959 1 120 . PRO . 16959 1 121 . VAL . 16959 1 122 . SER . 16959 1 123 . PHE . 16959 1 124 . ASP . 16959 1 125 . LYS . 16959 1 126 . ALA . 16959 1 127 . CYS . 16959 1 128 . GLU . 16959 1 129 . PHE . 16959 1 130 . ALA . 16959 1 131 . GLY . 16959 1 132 . PHE . 16959 1 133 . GLN . 16959 1 134 . CYS . 16959 1 135 . GLN . 16959 1 136 . ILE . 16959 1 137 . GLN . 16959 1 138 . PHE . 16959 1 139 . GLY . 16959 1 140 . PRO . 16959 1 141 . HIS . 16959 1 142 . ASN . 16959 1 143 . GLU . 16959 1 144 . GLN . 16959 1 145 . LYS . 16959 1 146 . HIS . 16959 1 147 . LYS . 16959 1 148 . ALA . 16959 1 149 . GLY . 16959 1 150 . PHE . 16959 1 151 . LEU . 16959 1 152 . ASP . 16959 1 153 . LEU . 16959 1 154 . LYS . 16959 1 155 . ASP . 16959 1 156 . PHE . 16959 1 157 . LEU . 16959 1 158 . PRO . 16959 1 159 . LYS . 16959 1 160 . GLU . 16959 1 161 . TYR . 16959 1 162 . VAL . 16959 1 163 . LYS . 16959 1 164 . GLN . 16959 1 165 . LYS . 16959 1 166 . GLY . 16959 1 167 . GLU . 16959 1 168 . ARG . 16959 1 169 . LYS . 16959 1 170 . ILE . 16959 1 171 . PHE . 16959 1 172 . GLN . 16959 1 173 . ALA . 16959 1 174 . HIS . 16959 1 175 . LYS . 16959 1 176 . ASN . 16959 1 177 . CYS . 16959 1 178 . GLY . 16959 1 179 . GLN . 16959 1 180 . MET . 16959 1 181 . SER . 16959 1 182 . GLU . 16959 1 183 . ILE . 16959 1 184 . GLU . 16959 1 185 . ALA . 16959 1 186 . LYS . 16959 1 187 . VAL . 16959 1 188 . ARG . 16959 1 189 . TYR . 16959 1 190 . VAL . 16959 1 191 . LYS . 16959 1 192 . LEU . 16959 1 193 . ALA . 16959 1 194 . ARG . 16959 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16959 1 . ILE 2 2 16959 1 . ASP 3 3 16959 1 . PRO 4 4 16959 1 . PHE 5 5 16959 1 . THR 6 6 16959 1 . ARG 7 7 16959 1 . PRO 8 8 16959 1 . LEU 9 9 16959 1 . LYS 10 10 16959 1 . ILE 11 11 16959 1 . ARG 12 12 16959 1 . MET 13 13 16959 1 . LEU 14 14 16959 1 . ASP 15 15 16959 1 . GLY 16 16 16959 1 . THR 17 17 16959 1 . VAL 18 18 16959 1 . LYS 19 19 16959 1 . THR 20 20 16959 1 . ILE 21 21 16959 1 . MET 22 22 16959 1 . VAL 23 23 16959 1 . ASP 24 24 16959 1 . ASP 25 25 16959 1 . SER 26 26 16959 1 . LYS 27 27 16959 1 . THR 28 28 16959 1 . VAL 29 29 16959 1 . THR 30 30 16959 1 . ASP 31 31 16959 1 . MET 32 32 16959 1 . LEU 33 33 16959 1 . MET 34 34 16959 1 . THR 35 35 16959 1 . ILE 36 36 16959 1 . CYS 37 37 16959 1 . ALA 38 38 16959 1 . ARG 39 39 16959 1 . ILE 40 40 16959 1 . GLY 41 41 16959 1 . ILE 42 42 16959 1 . THR 43 43 16959 1 . ASN 44 44 16959 1 . HIS 45 45 16959 1 . ASP 46 46 16959 1 . GLU 47 47 16959 1 . TYR 48 48 16959 1 . SER 49 49 16959 1 . LEU 50 50 16959 1 . VAL 51 51 16959 1 . ARG 52 52 16959 1 . GLU 53 53 16959 1 . LEU 54 54 16959 1 . MET 55 55 16959 1 . GLU 56 56 16959 1 . GLU 57 57 16959 1 . LYS 58 58 16959 1 . LYS 59 59 16959 1 . ASP 60 60 16959 1 . GLU 61 61 16959 1 . LEU 62 62 16959 1 . ASN 63 63 16959 1 . TRP 64 64 16959 1 . LEU 65 65 16959 1 . ASP 66 66 16959 1 . HIS 67 67 16959 1 . GLY 68 68 16959 1 . ARG 69 69 16959 1 . THR 70 70 16959 1 . LEU 71 71 16959 1 . ARG 72 72 16959 1 . GLU 73 73 16959 1 . GLN 74 74 16959 1 . GLY 75 75 16959 1 . VAL 76 76 16959 1 . GLU 77 77 16959 1 . GLU 78 78 16959 1 . HIS 79 79 16959 1 . GLU 80 80 16959 1 . THR 81 81 16959 1 . LEU 82 82 16959 1 . LEU 83 83 16959 1 . LEU 84 84 16959 1 . ARG 85 85 16959 1 . ARG 86 86 16959 1 . LYS 87 87 16959 1 . PHE 88 88 16959 1 . PHE 89 89 16959 1 . TYR 90 90 16959 1 . SER 91 91 16959 1 . ASP 92 92 16959 1 . GLN 93 93 16959 1 . ASN 94 94 16959 1 . VAL 95 95 16959 1 . ASP 96 96 16959 1 . SER 97 97 16959 1 . ARG 98 98 16959 1 . ASP 99 99 16959 1 . PRO 100 100 16959 1 . VAL 101 101 16959 1 . GLN 102 102 16959 1 . LEU 103 103 16959 1 . ASN 104 104 16959 1 . LEU 105 105 16959 1 . LEU 106 106 16959 1 . TYR 107 107 16959 1 . VAL 108 108 16959 1 . GLN 109 109 16959 1 . ALA 110 110 16959 1 . ARG 111 111 16959 1 . ASP 112 112 16959 1 . ASP 113 113 16959 1 . ILE 114 114 16959 1 . LEU 115 115 16959 1 . ASN 116 116 16959 1 . GLY 117 117 16959 1 . SER 118 118 16959 1 . HIS 119 119 16959 1 . PRO 120 120 16959 1 . VAL 121 121 16959 1 . SER 122 122 16959 1 . PHE 123 123 16959 1 . ASP 124 124 16959 1 . LYS 125 125 16959 1 . ALA 126 126 16959 1 . CYS 127 127 16959 1 . GLU 128 128 16959 1 . PHE 129 129 16959 1 . ALA 130 130 16959 1 . GLY 131 131 16959 1 . PHE 132 132 16959 1 . GLN 133 133 16959 1 . CYS 134 134 16959 1 . GLN 135 135 16959 1 . ILE 136 136 16959 1 . GLN 137 137 16959 1 . PHE 138 138 16959 1 . GLY 139 139 16959 1 . PRO 140 140 16959 1 . HIS 141 141 16959 1 . ASN 142 142 16959 1 . GLU 143 143 16959 1 . GLN 144 144 16959 1 . LYS 145 145 16959 1 . HIS 146 146 16959 1 . LYS 147 147 16959 1 . ALA 148 148 16959 1 . GLY 149 149 16959 1 . PHE 150 150 16959 1 . LEU 151 151 16959 1 . ASP 152 152 16959 1 . LEU 153 153 16959 1 . LYS 154 154 16959 1 . ASP 155 155 16959 1 . PHE 156 156 16959 1 . LEU 157 157 16959 1 . PRO 158 158 16959 1 . LYS 159 159 16959 1 . GLU 160 160 16959 1 . TYR 161 161 16959 1 . VAL 162 162 16959 1 . LYS 163 163 16959 1 . GLN 164 164 16959 1 . LYS 165 165 16959 1 . GLY 166 166 16959 1 . GLU 167 167 16959 1 . ARG 168 168 16959 1 . LYS 169 169 16959 1 . ILE 170 170 16959 1 . PHE 171 171 16959 1 . GLN 172 172 16959 1 . ALA 173 173 16959 1 . HIS 174 174 16959 1 . LYS 175 175 16959 1 . ASN 176 176 16959 1 . CYS 177 177 16959 1 . GLY 178 178 16959 1 . GLN 179 179 16959 1 . MET 180 180 16959 1 . SER 181 181 16959 1 . GLU 182 182 16959 1 . ILE 183 183 16959 1 . GLU 184 184 16959 1 . ALA 185 185 16959 1 . LYS 186 186 16959 1 . VAL 187 187 16959 1 . ARG 188 188 16959 1 . TYR 189 189 16959 1 . VAL 190 190 16959 1 . LYS 191 191 16959 1 . LEU 192 192 16959 1 . ALA 193 193 16959 1 . ARG 194 194 16959 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 16959 _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 $F1F2 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 16959 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 16959 _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 $F1F2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) Star . . . . . . . . . . . . . . Pet-151 . . . . . . 16959 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16959 _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 F1F2 '[U-99% 13C; U-99% 15N]' . . 1 $F1F2 . . 1 . . mM 0.05 . . . 16959 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.05 . . . 16959 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.05 . . . 16959 1 4 DTT 'natural abundance' . . . . . . 2 . . mM 0.05 . . . 16959 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16959 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16959 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16959 _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 0.05 mM 16959 1 pH 6.5 0.05 pH 16959 1 pressure 1 . atm 16959 1 temperature 298 0.05 K 16959 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16959 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16959 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16959 1 processing 16959 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 16959 _Software.ID 2 _Software.Name Analysis _Software.Version 2.1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 16959 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16959 2 'data analysis' 16959 2 'peak picking' 16959 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16959 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16959 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16959 _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 . 800 'with cryoprobe' . . 16959 1 2 spectrometer_2 Bruker DRX . 600 'with cryoprobe' . . 16959 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 16959 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16959 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16959 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16959 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16959 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16959 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16959 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 16959 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16959 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16959 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16959 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 16959 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'These are the correct errors, the errors in the assignment table simply reflect the peaks used to produce the shift lists.' _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' . . . 16959 1 4 '3D HNCACB' . . . 16959 1 6 '3D HNCO' . . . 16959 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 ILE C C 13 176.330 0.2 . 1 . . . . 2 Ile C . 16959 1 2 . 1 1 2 2 ILE CA C 13 60.963 0.2 . 1 . . . . 2 Ile CA . 16959 1 3 . 1 1 2 2 ILE CB C 13 38.908 0.2 . 1 . . . . 2 Ile CB . 16959 1 4 . 1 1 3 3 ASP H H 1 8.310 0.02 . 1 . . . . 3 Asp H . 16959 1 5 . 1 1 3 3 ASP CA C 13 52.086 0.2 . 1 . . . . 3 Asp CA . 16959 1 6 . 1 1 3 3 ASP CB C 13 41.126 0.2 . 1 . . . . 3 Asp CB . 16959 1 7 . 1 1 3 3 ASP N N 15 126.095 0.2 . 1 . . . . 3 Asp N . 16959 1 8 . 1 1 4 4 PRO C C 13 175.480 0.2 . 1 . . . . 4 Pro C . 16959 1 9 . 1 1 4 4 PRO CA C 13 63.129 0.2 . 1 . . . . 4 Pro CA . 16959 1 10 . 1 1 4 4 PRO CB C 13 32.018 0.2 . 1 . . . . 4 Pro CB . 16959 1 11 . 1 1 5 5 PHE H H 1 8.120 0.02 . 1 . . . . 5 Phe H . 16959 1 12 . 1 1 5 5 PHE C C 13 176.561 0.2 . 1 . . . . 5 Phe C . 16959 1 13 . 1 1 5 5 PHE CA C 13 57.280 0.2 . 1 . . . . 5 Phe CA . 16959 1 14 . 1 1 5 5 PHE CB C 13 38.180 0.2 . 1 . . . . 5 Phe CB . 16959 1 15 . 1 1 5 5 PHE N N 15 120.259 0.2 . 1 . . . . 5 Phe N . 16959 1 16 . 1 1 6 6 THR H H 1 7.517 0.02 . 1 . . . . 6 Thr H . 16959 1 17 . 1 1 6 6 THR C C 13 178.210 0.2 . 1 . . . . 6 Thr C . 16959 1 18 . 1 1 6 6 THR CA C 13 60.662 0.2 . 1 . . . . 6 Thr CA . 16959 1 19 . 1 1 6 6 THR CB C 13 70.997 0.2 . 1 . . . . 6 Thr CB . 16959 1 20 . 1 1 6 6 THR N N 15 112.400 0.2 . 1 . . . . 6 Thr N . 16959 1 21 . 1 1 7 7 ARG H H 1 8.932 0.02 . 1 . . . . 7 Arg H . 16959 1 22 . 1 1 7 7 ARG CA C 13 52.653 0.2 . 1 . . . . 7 Arg CA . 16959 1 23 . 1 1 7 7 ARG CB C 13 31.470 0.2 . 1 . . . . 7 Arg CB . 16959 1 24 . 1 1 7 7 ARG N N 15 121.870 0.2 . 1 . . . . 7 Arg N . 16959 1 25 . 1 1 8 8 PRO C C 13 175.898 0.2 . 1 . . . . 8 Pro C . 16959 1 26 . 1 1 8 8 PRO CA C 13 62.635 0.2 . 1 . . . . 8 Pro CA . 16959 1 27 . 1 1 8 8 PRO CB C 13 31.624 0.2 . 1 . . . . 8 Pro CB . 16959 1 28 . 1 1 9 9 LEU H H 1 9.105 0.02 . 1 . . . . 9 Leu H . 16959 1 29 . 1 1 9 9 LEU C C 13 177.555 0.2 . 1 . . . . 9 Leu C . 16959 1 30 . 1 1 9 9 LEU CA C 13 53.753 0.2 . 1 . . . . 9 Leu CA . 16959 1 31 . 1 1 9 9 LEU CB C 13 45.624 0.2 . 1 . . . . 9 Leu CB . 16959 1 32 . 1 1 9 9 LEU N N 15 129.842 0.2 . 1 . . . . 9 Leu N . 16959 1 33 . 1 1 10 10 LYS H H 1 8.507 0.02 . 1 . . . . 10 Lys H . 16959 1 34 . 1 1 10 10 LYS C C 13 177.348 0.2 . 1 . . . . 10 Lys C . 16959 1 35 . 1 1 10 10 LYS CA C 13 56.271 0.2 . 1 . . . . 10 Lys CA . 16959 1 36 . 1 1 10 10 LYS CB C 13 33.002 0.2 . 1 . . . . 10 Lys CB . 16959 1 37 . 1 1 10 10 LYS N N 15 127.680 0.2 . 1 . . . . 10 Lys N . 16959 1 38 . 1 1 11 11 ILE H H 1 8.801 0.02 . 1 . . . . 11 Ile H . 16959 1 39 . 1 1 11 11 ILE C C 13 177.365 0.2 . 1 . . . . 11 Ile C . 16959 1 40 . 1 1 11 11 ILE CA C 13 57.114 0.2 . 1 . . . . 11 Ile CA . 16959 1 41 . 1 1 11 11 ILE CB C 13 40.624 0.2 . 1 . . . . 11 Ile CB . 16959 1 42 . 1 1 11 11 ILE N N 15 122.259 0.2 . 1 . . . . 11 Ile N . 16959 1 43 . 1 1 12 12 ARG H H 1 9.230 0.02 . 1 . . . . 12 Arg H . 16959 1 44 . 1 1 12 12 ARG C C 13 176.428 0.2 . 1 . . . . 12 Arg C . 16959 1 45 . 1 1 12 12 ARG CA C 13 55.075 0.2 . 1 . . . . 12 Arg CA . 16959 1 46 . 1 1 12 12 ARG CB C 13 30.912 0.2 . 1 . . . . 12 Arg CB . 16959 1 47 . 1 1 12 12 ARG N N 15 127.267 0.2 . 1 . . . . 12 Arg N . 16959 1 48 . 1 1 13 13 MET H H 1 8.932 0.02 . 1 . . . . 13 Met H . 16959 1 49 . 1 1 13 13 MET C C 13 173.600 0.2 . 1 . . . . 13 Met C . 16959 1 50 . 1 1 13 13 MET CA C 13 53.815 0.2 . 1 . . . . 13 Met CA . 16959 1 51 . 1 1 13 13 MET CB C 13 33.538 0.2 . 1 . . . . 13 Met CB . 16959 1 52 . 1 1 13 13 MET N N 15 125.084 0.2 . 1 . . . . 13 Met N . 16959 1 53 . 1 1 14 14 LEU H H 1 8.455 0.02 . 1 . . . . 14 Leu H . 16959 1 54 . 1 1 14 14 LEU C C 13 174.148 0.2 . 1 . . . . 14 Leu C . 16959 1 55 . 1 1 14 14 LEU CA C 13 57.882 0.2 . 1 . . . . 14 Leu CA . 16959 1 56 . 1 1 14 14 LEU CB C 13 41.222 0.2 . 1 . . . . 14 Leu CB . 16959 1 57 . 1 1 14 14 LEU N N 15 121.030 0.2 . 1 . . . . 14 Leu N . 16959 1 58 . 1 1 15 15 ASP H H 1 7.668 0.02 . 1 . . . . 15 Asp H . 16959 1 59 . 1 1 15 15 ASP C C 13 174.947 0.2 . 1 . . . . 15 Asp C . 16959 1 60 . 1 1 15 15 ASP CA C 13 53.209 0.2 . 1 . . . . 15 Asp CA . 16959 1 61 . 1 1 15 15 ASP CB C 13 39.968 0.2 . 1 . . . . 15 Asp CB . 16959 1 62 . 1 1 15 15 ASP N N 15 114.969 0.2 . 1 . . . . 15 Asp N . 16959 1 63 . 1 1 16 16 GLY H H 1 7.971 0.02 . 1 . . . . 16 Gly H . 16959 1 64 . 1 1 16 16 GLY C C 13 177.327 0.2 . 1 . . . . 16 Gly C . 16959 1 65 . 1 1 16 16 GLY CA C 13 45.223 0.2 . 1 . . . . 16 Gly CA . 16959 1 66 . 1 1 16 16 GLY N N 15 107.983 0.2 . 1 . . . . 16 Gly N . 16959 1 67 . 1 1 17 17 THR H H 1 8.039 0.02 . 1 . . . . 17 Thr H . 16959 1 68 . 1 1 17 17 THR C C 13 179.038 0.2 . 1 . . . . 17 Thr C . 16959 1 69 . 1 1 17 17 THR CA C 13 62.667 0.2 . 1 . . . . 17 Thr CA . 16959 1 70 . 1 1 17 17 THR CB C 13 70.196 0.2 . 1 . . . . 17 Thr CB . 16959 1 71 . 1 1 17 17 THR N N 15 115.833 0.2 . 1 . . . . 17 Thr N . 16959 1 72 . 1 1 18 18 VAL H H 1 8.400 0.02 . 1 . . . . 18 Val H . 16959 1 73 . 1 1 18 18 VAL C C 13 175.835 0.2 . 1 . . . . 18 Val C . 16959 1 74 . 1 1 18 18 VAL CA C 13 61.388 0.2 . 1 . . . . 18 Val CA . 16959 1 75 . 1 1 18 18 VAL CB C 13 33.227 0.2 . 1 . . . . 18 Val CB . 16959 1 76 . 1 1 18 18 VAL N N 15 121.678 0.2 . 1 . . . . 18 Val N . 16959 1 77 . 1 1 19 19 LYS H H 1 9.113 0.02 . 1 . . . . 19 Lys H . 16959 1 78 . 1 1 19 19 LYS C C 13 177.388 0.2 . 1 . . . . 19 Lys C . 16959 1 79 . 1 1 19 19 LYS CA C 13 54.022 0.2 . 1 . . . . 19 Lys CA . 16959 1 80 . 1 1 19 19 LYS CB C 13 35.968 0.2 . 1 . . . . 19 Lys CB . 16959 1 81 . 1 1 19 19 LYS N N 15 128.979 0.2 . 1 . . . . 19 Lys N . 16959 1 82 . 1 1 20 20 THR H H 1 8.408 0.02 . 1 . . . . 20 Thr H . 16959 1 83 . 1 1 20 20 THR C C 13 177.720 0.2 . 1 . . . . 20 Thr C . 16959 1 84 . 1 1 20 20 THR CA C 13 62.102 0.2 . 1 . . . . 20 Thr CA . 16959 1 85 . 1 1 20 20 THR CB C 13 69.088 0.2 . 1 . . . . 20 Thr CB . 16959 1 86 . 1 1 20 20 THR N N 15 118.313 0.2 . 1 . . . . 20 Thr N . 16959 1 87 . 1 1 21 21 ILE H H 1 9.185 0.02 . 1 . . . . 21 Ile H . 16959 1 88 . 1 1 21 21 ILE C C 13 177.612 0.2 . 1 . . . . 21 Ile C . 16959 1 89 . 1 1 21 21 ILE CA C 13 58.712 0.2 . 1 . . . . 21 Ile CA . 16959 1 90 . 1 1 21 21 ILE CB C 13 40.723 0.2 . 1 . . . . 21 Ile CB . 16959 1 91 . 1 1 21 21 ILE N N 15 128.198 0.2 . 1 . . . . 21 Ile N . 16959 1 92 . 1 1 22 22 MET H H 1 8.363 0.02 . 1 . . . . 22 Met H . 16959 1 93 . 1 1 22 22 MET C C 13 175.473 0.2 . 1 . . . . 22 Met C . 16959 1 94 . 1 1 22 22 MET CA C 13 53.515 0.2 . 1 . . . . 22 Met CA . 16959 1 95 . 1 1 22 22 MET CB C 13 30.083 0.2 . 1 . . . . 22 Met CB . 16959 1 96 . 1 1 22 22 MET N N 15 123.860 0.2 . 1 . . . . 22 Met N . 16959 1 97 . 1 1 23 23 VAL H H 1 9.008 0.02 . 1 . . . . 23 Val H . 16959 1 98 . 1 1 23 23 VAL C C 13 178.374 0.2 . 1 . . . . 23 Val C . 16959 1 99 . 1 1 23 23 VAL CA C 13 59.144 0.2 . 1 . . . . 23 Val CA . 16959 1 100 . 1 1 23 23 VAL CB C 13 35.952 0.2 . 1 . . . . 23 Val CB . 16959 1 101 . 1 1 23 23 VAL N N 15 116.998 0.2 . 1 . . . . 23 Val N . 16959 1 102 . 1 1 24 24 ASP H H 1 8.120 0.02 . 1 . . . . 24 Asp H . 16959 1 103 . 1 1 24 24 ASP C C 13 175.078 0.2 . 1 . . . . 24 Asp C . 16959 1 104 . 1 1 24 24 ASP CA C 13 52.285 0.2 . 1 . . . . 24 Asp CA . 16959 1 105 . 1 1 24 24 ASP CB C 13 41.246 0.2 . 1 . . . . 24 Asp CB . 16959 1 106 . 1 1 24 24 ASP N N 15 120.404 0.2 . 1 . . . . 24 Asp N . 16959 1 107 . 1 1 25 25 ASP H H 1 8.678 0.02 . 1 . . . . 25 Asp H . 16959 1 108 . 1 1 25 25 ASP C C 13 175.468 0.2 . 1 . . . . 25 Asp C . 16959 1 109 . 1 1 25 25 ASP CA C 13 54.924 0.2 . 1 . . . . 25 Asp CA . 16959 1 110 . 1 1 25 25 ASP CB C 13 41.250 0.2 . 1 . . . . 25 Asp CB . 16959 1 111 . 1 1 25 25 ASP N N 15 123.853 0.2 . 1 . . . . 25 Asp N . 16959 1 112 . 1 1 26 26 SER H H 1 8.794 0.02 . 1 . . . . 26 Ser H . 16959 1 113 . 1 1 26 26 SER C C 13 177.350 0.2 . 1 . . . . 26 Ser C . 16959 1 114 . 1 1 26 26 SER CA C 13 59.428 0.2 . 1 . . . . 26 Ser CA . 16959 1 115 . 1 1 26 26 SER CB C 13 63.927 0.2 . 1 . . . . 26 Ser CB . 16959 1 116 . 1 1 26 26 SER N N 15 114.831 0.2 . 1 . . . . 26 Ser N . 16959 1 117 . 1 1 27 27 LYS H H 1 7.181 0.02 . 1 . . . . 27 Lys H . 16959 1 118 . 1 1 27 27 LYS C C 13 175.745 0.2 . 1 . . . . 27 Lys C . 16959 1 119 . 1 1 27 27 LYS CA C 13 53.919 0.2 . 1 . . . . 27 Lys CA . 16959 1 120 . 1 1 27 27 LYS CB C 13 33.340 0.2 . 1 . . . . 27 Lys CB . 16959 1 121 . 1 1 27 27 LYS N N 15 121.661 0.2 . 1 . . . . 27 Lys N . 16959 1 122 . 1 1 28 28 THR H H 1 8.621 0.02 . 1 . . . . 28 Thr H . 16959 1 123 . 1 1 28 28 THR C C 13 176.672 0.2 . 1 . . . . 28 Thr C . 16959 1 124 . 1 1 28 28 THR CA C 13 61.674 0.2 . 1 . . . . 28 Thr CA . 16959 1 125 . 1 1 28 28 THR CB C 13 70.833 0.2 . 1 . . . . 28 Thr CB . 16959 1 126 . 1 1 28 28 THR N N 15 109.639 0.2 . 1 . . . . 28 Thr N . 16959 1 127 . 1 1 29 29 VAL H H 1 7.759 0.02 . 1 . . . . 29 Val H . 16959 1 128 . 1 1 29 29 VAL C C 13 174.563 0.2 . 1 . . . . 29 Val C . 16959 1 129 . 1 1 29 29 VAL CA C 13 67.323 0.2 . 1 . . . . 29 Val CA . 16959 1 130 . 1 1 29 29 VAL CB C 13 31.369 0.2 . 1 . . . . 29 Val CB . 16959 1 131 . 1 1 29 29 VAL N N 15 121.412 0.2 . 1 . . . . 29 Val N . 16959 1 132 . 1 1 30 30 THR H H 1 8.712 0.02 . 1 . . . . 30 Thr H . 16959 1 133 . 1 1 30 30 THR C C 13 176.714 0.2 . 1 . . . . 30 Thr C . 16959 1 134 . 1 1 30 30 THR CA C 13 67.572 0.2 . 1 . . . . 30 Thr CA . 16959 1 135 . 1 1 30 30 THR CB C 13 69.406 0.2 . 1 . . . . 30 Thr CB . 16959 1 136 . 1 1 30 30 THR N N 15 116.774 0.2 . 1 . . . . 30 Thr N . 16959 1 137 . 1 1 31 31 ASP H H 1 7.112 0.02 . 1 . . . . 31 Asp H . 16959 1 138 . 1 1 31 31 ASP C C 13 172.847 0.2 . 1 . . . . 31 Asp C . 16959 1 139 . 1 1 31 31 ASP CA C 13 57.462 0.2 . 1 . . . . 31 Asp CA . 16959 1 140 . 1 1 31 31 ASP CB C 13 41.024 0.2 . 1 . . . . 31 Asp CB . 16959 1 141 . 1 1 31 31 ASP N N 15 121.782 0.2 . 1 . . . . 31 Asp N . 16959 1 142 . 1 1 32 32 MET H H 1 8.488 0.02 . 1 . . . . 32 Met H . 16959 1 143 . 1 1 32 32 MET C C 13 173.504 0.2 . 1 . . . . 32 Met C . 16959 1 144 . 1 1 32 32 MET CA C 13 59.064 0.2 . 1 . . . . 32 Met CA . 16959 1 145 . 1 1 32 32 MET CB C 13 33.525 0.2 . 1 . . . . 32 Met CB . 16959 1 146 . 1 1 32 32 MET N N 15 121.185 0.2 . 1 . . . . 32 Met N . 16959 1 147 . 1 1 33 33 LEU H H 1 8.830 0.02 . 1 . . . . 33 Leu H . 16959 1 148 . 1 1 33 33 LEU C C 13 173.151 0.2 . 1 . . . . 33 Leu C . 16959 1 149 . 1 1 33 33 LEU CA C 13 58.027 0.2 . 1 . . . . 33 Leu CA . 16959 1 150 . 1 1 33 33 LEU CB C 13 42.135 0.2 . 1 . . . . 33 Leu CB . 16959 1 151 . 1 1 33 33 LEU N N 15 120.435 0.2 . 1 . . . . 33 Leu N . 16959 1 152 . 1 1 34 34 MET H H 1 7.633 0.02 . 1 . . . . 34 Met H . 16959 1 153 . 1 1 34 34 MET C C 13 173.242 0.2 . 1 . . . . 34 Met C . 16959 1 154 . 1 1 34 34 MET CA C 13 59.925 0.2 . 1 . . . . 34 Met CA . 16959 1 155 . 1 1 34 34 MET CB C 13 31.964 0.2 . 1 . . . . 34 Met CB . 16959 1 156 . 1 1 34 34 MET N N 15 118.469 0.2 . 1 . . . . 34 Met N . 16959 1 157 . 1 1 35 35 THR H H 1 7.449 0.02 . 1 . . . . 35 Thr H . 16959 1 158 . 1 1 35 35 THR C C 13 175.753 0.2 . 1 . . . . 35 Thr C . 16959 1 159 . 1 1 35 35 THR CA C 13 66.586 0.2 . 1 . . . . 35 Thr CA . 16959 1 160 . 1 1 35 35 THR CB C 13 68.864 0.2 . 1 . . . . 35 Thr CB . 16959 1 161 . 1 1 35 35 THR N N 15 116.604 0.2 . 1 . . . . 35 Thr N . 16959 1 162 . 1 1 36 36 ILE H H 1 8.491 0.02 . 1 . . . . 36 Ile H . 16959 1 163 . 1 1 36 36 ILE C C 13 174.854 0.2 . 1 . . . . 36 Ile C . 16959 1 164 . 1 1 36 36 ILE CA C 13 65.421 0.2 . 1 . . . . 36 Ile CA . 16959 1 165 . 1 1 36 36 ILE CB C 13 39.031 0.2 . 1 . . . . 36 Ile CB . 16959 1 166 . 1 1 36 36 ILE N N 15 121.231 0.2 . 1 . . . . 36 Ile N . 16959 1 167 . 1 1 37 37 CYS H H 1 8.352 0.02 . 1 . . . . 37 Cys H . 16959 1 168 . 1 1 37 37 CYS C C 13 175.415 0.2 . 1 . . . . 37 Cys C . 16959 1 169 . 1 1 37 37 CYS CA C 13 65.394 0.2 . 1 . . . . 37 Cys CA . 16959 1 170 . 1 1 37 37 CYS CB C 13 26.199 0.2 . 1 . . . . 37 Cys CB . 16959 1 171 . 1 1 37 37 CYS N N 15 115.124 0.2 . 1 . . . . 37 Cys N . 16959 1 172 . 1 1 38 38 ALA H H 1 7.751 0.02 . 1 . . . . 38 Ala H . 16959 1 173 . 1 1 38 38 ALA C C 13 171.387 0.2 . 1 . . . . 38 Ala C . 16959 1 174 . 1 1 38 38 ALA CA C 13 55.050 0.2 . 1 . . . . 38 Ala CA . 16959 1 175 . 1 1 38 38 ALA CB C 13 17.877 0.2 . 1 . . . . 38 Ala CB . 16959 1 176 . 1 1 38 38 ALA N N 15 121.162 0.2 . 1 . . . . 38 Ala N . 16959 1 177 . 1 1 39 39 ARG H H 1 7.631 0.02 . 1 . . . . 39 Arg H . 16959 1 178 . 1 1 39 39 ARG C C 13 173.839 0.2 . 1 . . . . 39 Arg C . 16959 1 179 . 1 1 39 39 ARG CA C 13 57.512 0.2 . 1 . . . . 39 Arg CA . 16959 1 180 . 1 1 39 39 ARG CB C 13 29.795 0.2 . 1 . . . . 39 Arg CB . 16959 1 181 . 1 1 39 39 ARG N N 15 116.383 0.2 . 1 . . . . 39 Arg N . 16959 1 182 . 1 1 40 40 ILE H H 1 7.432 0.02 . 1 . . . . 40 Ile H . 16959 1 183 . 1 1 40 40 ILE C C 13 176.154 0.2 . 1 . . . . 40 Ile C . 16959 1 184 . 1 1 40 40 ILE CA C 13 61.099 0.2 . 1 . . . . 40 Ile CA . 16959 1 185 . 1 1 40 40 ILE CB C 13 38.116 0.2 . 1 . . . . 40 Ile CB . 16959 1 186 . 1 1 40 40 ILE N N 15 111.689 0.2 . 1 . . . . 40 Ile N . 16959 1 187 . 1 1 41 41 GLY H H 1 7.539 0.02 . 1 . . . . 41 Gly H . 16959 1 188 . 1 1 41 41 GLY C C 13 177.531 0.2 . 1 . . . . 41 Gly C . 16959 1 189 . 1 1 41 41 GLY CA C 13 46.189 0.2 . 1 . . . . 41 Gly CA . 16959 1 190 . 1 1 41 41 GLY N N 15 109.155 0.2 . 1 . . . . 41 Gly N . 16959 1 191 . 1 1 42 42 ILE H H 1 7.933 0.02 . 1 . . . . 42 Ile H . 16959 1 192 . 1 1 42 42 ILE C C 13 175.886 0.2 . 1 . . . . 42 Ile C . 16959 1 193 . 1 1 42 42 ILE CA C 13 60.531 0.2 . 1 . . . . 42 Ile CA . 16959 1 194 . 1 1 42 42 ILE CB C 13 39.809 0.2 . 1 . . . . 42 Ile CB . 16959 1 195 . 1 1 42 42 ILE N N 15 121.932 0.2 . 1 . . . . 42 Ile N . 16959 1 196 . 1 1 43 43 THR H H 1 8.441 0.02 . 1 . . . . 43 Thr H . 16959 1 197 . 1 1 43 43 THR C C 13 176.972 0.2 . 1 . . . . 43 Thr C . 16959 1 198 . 1 1 43 43 THR CA C 13 63.222 0.2 . 1 . . . . 43 Thr CA . 16959 1 199 . 1 1 43 43 THR CB C 13 69.066 0.2 . 1 . . . . 43 Thr CB . 16959 1 200 . 1 1 43 43 THR N N 15 119.484 0.2 . 1 . . . . 43 Thr N . 16959 1 201 . 1 1 44 44 ASN H H 1 8.652 0.02 . 1 . . . . 44 Asn H . 16959 1 202 . 1 1 44 44 ASN C C 13 176.483 0.2 . 1 . . . . 44 Asn C . 16959 1 203 . 1 1 44 44 ASN CA C 13 52.251 0.2 . 1 . . . . 44 Asn CA . 16959 1 204 . 1 1 44 44 ASN CB C 13 35.737 0.2 . 1 . . . . 44 Asn CB . 16959 1 205 . 1 1 44 44 ASN N N 15 121.046 0.2 . 1 . . . . 44 Asn N . 16959 1 206 . 1 1 45 45 HIS H H 1 7.694 0.02 . 1 . . . . 45 His H . 16959 1 207 . 1 1 45 45 HIS C C 13 176.191 0.2 . 1 . . . . 45 His C . 16959 1 208 . 1 1 45 45 HIS CA C 13 58.600 0.2 . 1 . . . . 45 His CA . 16959 1 209 . 1 1 45 45 HIS CB C 13 30.535 0.2 . 1 . . . . 45 His CB . 16959 1 210 . 1 1 45 45 HIS N N 15 118.631 0.2 . 1 . . . . 45 His N . 16959 1 211 . 1 1 46 46 ASP H H 1 7.940 0.02 . 1 . . . . 46 Asp H . 16959 1 212 . 1 1 46 46 ASP C C 13 171.394 0.2 . 1 . . . . 46 Asp C . 16959 1 213 . 1 1 46 46 ASP CA C 13 55.418 0.2 . 1 . . . . 46 Asp CA . 16959 1 214 . 1 1 46 46 ASP CB C 13 39.925 0.2 . 1 . . . . 46 Asp CB . 16959 1 215 . 1 1 46 46 ASP N N 15 117.428 0.2 . 1 . . . . 46 Asp N . 16959 1 216 . 1 1 47 47 GLU H H 1 7.640 0.02 . 1 . . . . 47 Glu H . 16959 1 217 . 1 1 47 47 GLU C C 13 176.799 0.2 . 1 . . . . 47 Glu C . 16959 1 218 . 1 1 47 47 GLU CA C 13 56.603 0.2 . 1 . . . . 47 Glu CA . 16959 1 219 . 1 1 47 47 GLU CB C 13 29.913 0.2 . 1 . . . . 47 Glu CB . 16959 1 220 . 1 1 47 47 GLU N N 15 116.378 0.2 . 1 . . . . 47 Glu N . 16959 1 221 . 1 1 48 48 TYR H H 1 7.800 0.02 . 1 . . . . 48 Tyr H . 16959 1 222 . 1 1 48 48 TYR C C 13 178.049 0.2 . 1 . . . . 48 Tyr C . 16959 1 223 . 1 1 48 48 TYR CA C 13 58.417 0.2 . 1 . . . . 48 Tyr CA . 16959 1 224 . 1 1 48 48 TYR CB C 13 42.441 0.2 . 1 . . . . 48 Tyr CB . 16959 1 225 . 1 1 48 48 TYR N N 15 118.510 0.2 . 1 . . . . 48 Tyr N . 16959 1 226 . 1 1 49 49 SER H H 1 8.868 0.02 . 1 . . . . 49 Ser H . 16959 1 227 . 1 1 49 49 SER C C 13 179.215 0.2 . 1 . . . . 49 Ser C . 16959 1 228 . 1 1 49 49 SER CA C 13 56.638 0.2 . 1 . . . . 49 Ser CA . 16959 1 229 . 1 1 49 49 SER CB C 13 64.532 0.2 . 1 . . . . 49 Ser CB . 16959 1 230 . 1 1 49 49 SER N N 15 112.157 0.2 . 1 . . . . 49 Ser N . 16959 1 231 . 1 1 50 50 LEU H H 1 8.873 0.02 . 1 . . . . 50 Leu H . 16959 1 232 . 1 1 50 50 LEU C C 13 176.741 0.2 . 1 . . . . 50 Leu C . 16959 1 233 . 1 1 50 50 LEU CA C 13 52.871 0.2 . 1 . . . . 50 Leu CA . 16959 1 234 . 1 1 50 50 LEU CB C 13 46.816 0.2 . 1 . . . . 50 Leu CB . 16959 1 235 . 1 1 50 50 LEU N N 15 119.719 0.2 . 1 . . . . 50 Leu N . 16959 1 236 . 1 1 51 51 VAL H H 1 8.798 0.02 . 1 . . . . 51 Val H . 16959 1 237 . 1 1 51 51 VAL C C 13 176.768 0.2 . 1 . . . . 51 Val C . 16959 1 238 . 1 1 51 51 VAL CA C 13 59.611 0.2 . 1 . . . . 51 Val CA . 16959 1 239 . 1 1 51 51 VAL CB C 13 35.266 0.2 . 1 . . . . 51 Val CB . 16959 1 240 . 1 1 51 51 VAL N N 15 119.164 0.2 . 1 . . . . 51 Val N . 16959 1 241 . 1 1 52 52 ARG H H 1 8.378 0.02 . 1 . . . . 52 Arg H . 16959 1 242 . 1 1 52 52 ARG C C 13 176.278 0.2 . 1 . . . . 52 Arg C . 16959 1 243 . 1 1 52 52 ARG CA C 13 55.628 0.2 . 1 . . . . 52 Arg CA . 16959 1 244 . 1 1 52 52 ARG CB C 13 32.102 0.2 . 1 . . . . 52 Arg CB . 16959 1 245 . 1 1 52 52 ARG N N 15 123.973 0.2 . 1 . . . . 52 Arg N . 16959 1 246 . 1 1 53 53 GLU H H 1 8.584 0.02 . 1 . . . . 53 Glu H . 16959 1 247 . 1 1 53 53 GLU C C 13 175.783 0.2 . 1 . . . . 53 Glu C . 16959 1 248 . 1 1 53 53 GLU CA C 13 57.552 0.2 . 1 . . . . 53 Glu CA . 16959 1 249 . 1 1 53 53 GLU CB C 13 30.402 0.2 . 1 . . . . 53 Glu CB . 16959 1 250 . 1 1 53 53 GLU N N 15 124.942 0.2 . 1 . . . . 53 Glu N . 16959 1 251 . 1 1 54 54 LEU H H 1 8.228 0.02 . 1 . . . . 54 Leu H . 16959 1 252 . 1 1 54 54 LEU C C 13 175.032 0.2 . 1 . . . . 54 Leu C . 16959 1 253 . 1 1 54 54 LEU CA C 13 55.151 0.2 . 1 . . . . 54 Leu CA . 16959 1 254 . 1 1 54 54 LEU CB C 13 42.617 0.2 . 1 . . . . 54 Leu CB . 16959 1 255 . 1 1 54 54 LEU N N 15 122.330 0.2 . 1 . . . . 54 Leu N . 16959 1 256 . 1 1 55 55 MET H H 1 8.177 0.02 . 1 . . . . 55 Met H . 16959 1 257 . 1 1 55 55 MET C C 13 175.686 0.2 . 1 . . . . 55 Met C . 16959 1 258 . 1 1 55 55 MET CA C 13 55.315 0.2 . 1 . . . . 55 Met CA . 16959 1 259 . 1 1 55 55 MET CB C 13 32.912 0.2 . 1 . . . . 55 Met CB . 16959 1 260 . 1 1 55 55 MET N N 15 120.139 0.2 . 1 . . . . 55 Met N . 16959 1 261 . 1 1 56 56 GLU H H 1 8.269 0.02 . 1 . . . . 56 Glu H . 16959 1 262 . 1 1 56 56 GLU C C 13 175.584 0.2 . 1 . . . . 56 Glu C . 16959 1 263 . 1 1 56 56 GLU CA C 13 57.173 0.2 . 1 . . . . 56 Glu CA . 16959 1 264 . 1 1 56 56 GLU CB C 13 30.117 0.2 . 1 . . . . 56 Glu CB . 16959 1 265 . 1 1 56 56 GLU N N 15 121.221 0.2 . 1 . . . . 56 Glu N . 16959 1 266 . 1 1 57 57 GLU H H 1 8.381 0.02 . 1 . . . . 57 Glu H . 16959 1 267 . 1 1 57 57 GLU C C 13 175.515 0.2 . 1 . . . . 57 Glu C . 16959 1 268 . 1 1 57 57 GLU CA C 13 57.186 0.2 . 1 . . . . 57 Glu CA . 16959 1 269 . 1 1 57 57 GLU CB C 13 29.975 0.2 . 1 . . . . 57 Glu CB . 16959 1 270 . 1 1 57 57 GLU N N 15 120.209 0.2 . 1 . . . . 57 Glu N . 16959 1 271 . 1 1 58 58 LYS H H 1 8.113 0.02 . 1 . . . . 58 Lys H . 16959 1 272 . 1 1 58 58 LYS C C 13 175.741 0.2 . 1 . . . . 58 Lys C . 16959 1 273 . 1 1 58 58 LYS CA C 13 56.038 0.2 . 1 . . . . 58 Lys CA . 16959 1 274 . 1 1 58 58 LYS CB C 13 32.584 0.2 . 1 . . . . 58 Lys CB . 16959 1 275 . 1 1 58 58 LYS N N 15 120.752 0.2 . 1 . . . . 58 Lys N . 16959 1 276 . 1 1 59 59 LYS H H 1 8.061 0.02 . 1 . . . . 59 Lys H . 16959 1 277 . 1 1 59 59 LYS C C 13 175.884 0.2 . 1 . . . . 59 Lys C . 16959 1 278 . 1 1 59 59 LYS CA C 13 56.760 0.2 . 1 . . . . 59 Lys CA . 16959 1 279 . 1 1 59 59 LYS CB C 13 32.809 0.2 . 1 . . . . 59 Lys CB . 16959 1 280 . 1 1 59 59 LYS N N 15 120.997 0.2 . 1 . . . . 59 Lys N . 16959 1 281 . 1 1 60 60 ASP H H 1 8.323 0.02 . 1 . . . . 60 Asp H . 16959 1 282 . 1 1 60 60 ASP C C 13 176.273 0.2 . 1 . . . . 60 Asp C . 16959 1 283 . 1 1 60 60 ASP CA C 13 54.834 0.2 . 1 . . . . 60 Asp CA . 16959 1 284 . 1 1 60 60 ASP CB C 13 40.867 0.2 . 1 . . . . 60 Asp CB . 16959 1 285 . 1 1 60 60 ASP N N 15 119.344 0.2 . 1 . . . . 60 Asp N . 16959 1 286 . 1 1 61 61 GLU H H 1 7.868 0.02 . 1 . . . . 61 Glu H . 16959 1 287 . 1 1 61 61 GLU C C 13 176.324 0.2 . 1 . . . . 61 Glu C . 16959 1 288 . 1 1 61 61 GLU CA C 13 56.137 0.2 . 1 . . . . 61 Glu CA . 16959 1 289 . 1 1 61 61 GLU CB C 13 30.883 0.2 . 1 . . . . 61 Glu CB . 16959 1 290 . 1 1 61 61 GLU N N 15 119.340 0.2 . 1 . . . . 61 Glu N . 16959 1 291 . 1 1 62 62 LEU H H 1 8.203 0.02 . 1 . . . . 62 Leu H . 16959 1 292 . 1 1 62 62 LEU C C 13 175.379 0.2 . 1 . . . . 62 Leu C . 16959 1 293 . 1 1 62 62 LEU CA C 13 54.649 0.2 . 1 . . . . 62 Leu CA . 16959 1 294 . 1 1 62 62 LEU CB C 13 42.086 0.2 . 1 . . . . 62 Leu CB . 16959 1 295 . 1 1 62 62 LEU N N 15 122.091 0.2 . 1 . . . . 62 Leu N . 16959 1 296 . 1 1 63 63 ASN H H 1 8.351 0.02 . 1 . . . . 63 Asn H . 16959 1 297 . 1 1 63 63 ASN C C 13 177.771 0.2 . 1 . . . . 63 Asn C . 16959 1 298 . 1 1 63 63 ASN CA C 13 52.360 0.2 . 1 . . . . 63 Asn CA . 16959 1 299 . 1 1 63 63 ASN CB C 13 38.592 0.2 . 1 . . . . 63 Asn CB . 16959 1 300 . 1 1 63 63 ASN N N 15 120.545 0.2 . 1 . . . . 63 Asn N . 16959 1 301 . 1 1 64 64 TRP H H 1 7.711 0.02 . 1 . . . . 64 Trp H . 16959 1 302 . 1 1 64 64 TRP HE1 H 1 10.079 0.02 . 1 . . . . 64 Trp HE1 . 16959 1 303 . 1 1 64 64 TRP C C 13 174.742 0.2 . 1 . . . . 64 Trp C . 16959 1 304 . 1 1 64 64 TRP CA C 13 57.017 0.2 . 1 . . . . 64 Trp CA . 16959 1 305 . 1 1 64 64 TRP CB C 13 29.871 0.2 . 1 . . . . 64 Trp CB . 16959 1 306 . 1 1 64 64 TRP N N 15 129.572 0.2 . 1 . . . . 64 Trp N . 16959 1 307 . 1 1 64 64 TRP NE1 N 15 129.572 0.2 . 1 . . . . 64 Trp NE1 . 16959 1 308 . 1 1 65 65 LEU H H 1 8.454 0.02 . 1 . . . . 65 Leu H . 16959 1 309 . 1 1 65 65 LEU C C 13 176.016 0.2 . 1 . . . . 65 Leu C . 16959 1 310 . 1 1 65 65 LEU CA C 13 54.863 0.2 . 1 . . . . 65 Leu CA . 16959 1 311 . 1 1 65 65 LEU CB C 13 42.777 0.2 . 1 . . . . 65 Leu CB . 16959 1 312 . 1 1 65 65 LEU N N 15 122.454 0.2 . 1 . . . . 65 Leu N . 16959 1 313 . 1 1 66 66 ASP H H 1 9.131 0.02 . 1 . . . . 66 Asp H . 16959 1 314 . 1 1 66 66 ASP C C 13 173.427 0.2 . 1 . . . . 66 Asp C . 16959 1 315 . 1 1 66 66 ASP CA C 13 53.484 0.2 . 1 . . . . 66 Asp CA . 16959 1 316 . 1 1 66 66 ASP CB C 13 41.364 0.2 . 1 . . . . 66 Asp CB . 16959 1 317 . 1 1 66 66 ASP N N 15 122.199 0.2 . 1 . . . . 66 Asp N . 16959 1 318 . 1 1 67 67 HIS H H 1 9.292 0.02 . 1 . . . . 67 His H . 16959 1 319 . 1 1 67 67 HIS C C 13 175.932 0.2 . 1 . . . . 67 His C . 16959 1 320 . 1 1 67 67 HIS CA C 13 58.986 0.2 . 1 . . . . 67 His CA . 16959 1 321 . 1 1 67 67 HIS CB C 13 28.053 0.2 . 1 . . . . 67 His CB . 16959 1 322 . 1 1 67 67 HIS N N 15 126.742 0.2 . 1 . . . . 67 His N . 16959 1 323 . 1 1 68 68 GLY H H 1 8.728 0.02 . 1 . . . . 68 Gly H . 16959 1 324 . 1 1 68 68 GLY C C 13 178.635 0.2 . 1 . . . . 68 Gly C . 16959 1 325 . 1 1 68 68 GLY CA C 13 45.153 0.2 . 1 . . . . 68 Gly CA . 16959 1 326 . 1 1 68 68 GLY N N 15 105.455 0.2 . 1 . . . . 68 Gly N . 16959 1 327 . 1 1 69 69 ARG H H 1 7.001 0.02 . 1 . . . . 69 Arg H . 16959 1 328 . 1 1 69 69 ARG C C 13 176.001 0.2 . 1 . . . . 69 Arg C . 16959 1 329 . 1 1 69 69 ARG CA C 13 54.042 0.2 . 1 . . . . 69 Arg CA . 16959 1 330 . 1 1 69 69 ARG CB C 13 35.763 0.2 . 1 . . . . 69 Arg CB . 16959 1 331 . 1 1 69 69 ARG N N 15 117.432 0.2 . 1 . . . . 69 Arg N . 16959 1 332 . 1 1 70 70 THR H H 1 9.024 0.02 . 1 . . . . 70 Thr H . 16959 1 333 . 1 1 70 70 THR C C 13 174.992 0.2 . 1 . . . . 70 Thr C . 16959 1 334 . 1 1 70 70 THR CA C 13 61.078 0.2 . 1 . . . . 70 Thr CA . 16959 1 335 . 1 1 70 70 THR CB C 13 70.976 0.2 . 1 . . . . 70 Thr CB . 16959 1 336 . 1 1 70 70 THR N N 15 112.194 0.2 . 1 . . . . 70 Thr N . 16959 1 337 . 1 1 71 71 LEU H H 1 9.062 0.02 . 1 . . . . 71 Leu H . 16959 1 338 . 1 1 71 71 LEU C C 13 172.301 0.2 . 1 . . . . 71 Leu C . 16959 1 339 . 1 1 71 71 LEU CA C 13 58.308 0.2 . 1 . . . . 71 Leu CA . 16959 1 340 . 1 1 71 71 LEU CB C 13 41.159 0.2 . 1 . . . . 71 Leu CB . 16959 1 341 . 1 1 71 71 LEU N N 15 121.101 0.2 . 1 . . . . 71 Leu N . 16959 1 342 . 1 1 72 72 ARG H H 1 8.521 0.02 . 1 . . . . 72 Arg H . 16959 1 343 . 1 1 72 72 ARG C C 13 171.601 0.2 . 1 . . . . 72 Arg C . 16959 1 344 . 1 1 72 72 ARG CA C 13 59.049 0.2 . 1 . . . . 72 Arg CA . 16959 1 345 . 1 1 72 72 ARG CB C 13 29.824 0.2 . 1 . . . . 72 Arg CB . 16959 1 346 . 1 1 72 72 ARG N N 15 120.127 0.2 . 1 . . . . 72 Arg N . 16959 1 347 . 1 1 73 73 GLU H H 1 7.746 0.02 . 1 . . . . 73 Glu H . 16959 1 348 . 1 1 73 73 GLU C C 13 175.165 0.2 . 1 . . . . 73 Glu C . 16959 1 349 . 1 1 73 73 GLU CA C 13 58.111 0.2 . 1 . . . . 73 Glu CA . 16959 1 350 . 1 1 73 73 GLU CB C 13 30.152 0.2 . 1 . . . . 73 Glu CB . 16959 1 351 . 1 1 73 73 GLU N N 15 117.847 0.2 . 1 . . . . 73 Glu N . 16959 1 352 . 1 1 74 74 GLN H H 1 7.178 0.02 . 1 . . . . 74 Gln H . 16959 1 353 . 1 1 74 74 GLN C C 13 176.999 0.2 . 1 . . . . 74 Gln C . 16959 1 354 . 1 1 74 74 GLN CA C 13 55.174 0.2 . 1 . . . . 74 Gln CA . 16959 1 355 . 1 1 74 74 GLN CB C 13 30.421 0.2 . 1 . . . . 74 Gln CB . 16959 1 356 . 1 1 74 74 GLN N N 15 114.676 0.2 . 1 . . . . 74 Gln N . 16959 1 357 . 1 1 75 75 GLY H H 1 7.517 0.02 . 1 . . . . 75 Gly H . 16959 1 358 . 1 1 75 75 GLY C C 13 178.092 0.2 . 1 . . . . 75 Gly C . 16959 1 359 . 1 1 75 75 GLY CA C 13 46.398 0.2 . 1 . . . . 75 Gly CA . 16959 1 360 . 1 1 75 75 GLY N N 15 107.266 0.2 . 1 . . . . 75 Gly N . 16959 1 361 . 1 1 76 76 VAL H H 1 7.384 0.02 . 1 . . . . 76 Val H . 16959 1 362 . 1 1 76 76 VAL C C 13 175.544 0.2 . 1 . . . . 76 Val C . 16959 1 363 . 1 1 76 76 VAL CA C 13 62.434 0.2 . 1 . . . . 76 Val CA . 16959 1 364 . 1 1 76 76 VAL CB C 13 31.193 0.2 . 1 . . . . 76 Val CB . 16959 1 365 . 1 1 76 76 VAL N N 15 119.720 0.2 . 1 . . . . 76 Val N . 16959 1 366 . 1 1 77 77 GLU H H 1 8.851 0.02 . 1 . . . . 77 Glu H . 16959 1 367 . 1 1 77 77 GLU C C 13 173.293 0.2 . 1 . . . . 77 Glu C . 16959 1 368 . 1 1 77 77 GLU CA C 13 56.136 0.2 . 1 . . . . 77 Glu CA . 16959 1 369 . 1 1 77 77 GLU CB C 13 31.321 0.2 . 1 . . . . 77 Glu CB . 16959 1 370 . 1 1 77 77 GLU N N 15 130.498 0.2 . 1 . . . . 77 Glu N . 16959 1 371 . 1 1 78 78 GLU H H 1 9.114 0.02 . 1 . . . . 78 Glu H . 16959 1 372 . 1 1 78 78 GLU C C 13 175.314 0.2 . 1 . . . . 78 Glu C . 16959 1 373 . 1 1 78 78 GLU CA C 13 59.690 0.2 . 1 . . . . 78 Glu CA . 16959 1 374 . 1 1 78 78 GLU CB C 13 29.602 0.2 . 1 . . . . 78 Glu CB . 16959 1 375 . 1 1 78 78 GLU N N 15 121.016 0.2 . 1 . . . . 78 Glu N . 16959 1 376 . 1 1 79 79 HIS H H 1 7.588 0.02 . 1 . . . . 79 His H . 16959 1 377 . 1 1 79 79 HIS C C 13 176.351 0.2 . 1 . . . . 79 His C . 16959 1 378 . 1 1 79 79 HIS CA C 13 55.895 0.2 . 1 . . . . 79 His CA . 16959 1 379 . 1 1 79 79 HIS CB C 13 30.133 0.2 . 1 . . . . 79 His CB . 16959 1 380 . 1 1 79 79 HIS N N 15 112.603 0.2 . 1 . . . . 79 His N . 16959 1 381 . 1 1 80 80 GLU H H 1 6.984 0.02 . 1 . . . . 80 Glu H . 16959 1 382 . 1 1 80 80 GLU C C 13 176.235 0.2 . 1 . . . . 80 Glu C . 16959 1 383 . 1 1 80 80 GLU CA C 13 57.736 0.2 . 1 . . . . 80 Glu CA . 16959 1 384 . 1 1 80 80 GLU CB C 13 30.937 0.2 . 1 . . . . 80 Glu CB . 16959 1 385 . 1 1 80 80 GLU N N 15 121.499 0.2 . 1 . . . . 80 Glu N . 16959 1 386 . 1 1 81 81 THR H H 1 8.587 0.02 . 1 . . . . 81 Thr H . 16959 1 387 . 1 1 81 81 THR C C 13 177.934 0.2 . 1 . . . . 81 Thr C . 16959 1 388 . 1 1 81 81 THR CA C 13 62.292 0.2 . 1 . . . . 81 Thr CA . 16959 1 389 . 1 1 81 81 THR CB C 13 69.510 0.2 . 1 . . . . 81 Thr CB . 16959 1 390 . 1 1 81 81 THR N N 15 120.856 0.2 . 1 . . . . 81 Thr N . 16959 1 391 . 1 1 82 82 LEU H H 1 8.385 0.02 . 1 . . . . 82 Leu H . 16959 1 392 . 1 1 82 82 LEU C C 13 177.439 0.2 . 1 . . . . 82 Leu C . 16959 1 393 . 1 1 82 82 LEU CA C 13 52.645 0.2 . 1 . . . . 82 Leu CA . 16959 1 394 . 1 1 82 82 LEU CB C 13 44.303 0.2 . 1 . . . . 82 Leu CB . 16959 1 395 . 1 1 82 82 LEU N N 15 125.771 0.2 . 1 . . . . 82 Leu N . 16959 1 396 . 1 1 83 83 LEU H H 1 9.101 0.02 . 1 . . . . 83 Leu H . 16959 1 397 . 1 1 83 83 LEU C C 13 176.346 0.2 . 1 . . . . 83 Leu C . 16959 1 398 . 1 1 83 83 LEU CA C 13 54.134 0.2 . 1 . . . . 83 Leu CA . 16959 1 399 . 1 1 83 83 LEU CB C 13 43.153 0.2 . 1 . . . . 83 Leu CB . 16959 1 400 . 1 1 83 83 LEU N N 15 121.303 0.2 . 1 . . . . 83 Leu N . 16959 1 401 . 1 1 84 84 LEU H H 1 7.948 0.02 . 1 . . . . 84 Leu H . 16959 1 402 . 1 1 84 84 LEU C C 13 176.387 0.2 . 1 . . . . 84 Leu C . 16959 1 403 . 1 1 84 84 LEU CA C 13 54.561 0.2 . 1 . . . . 84 Leu CA . 16959 1 404 . 1 1 84 84 LEU CB C 13 43.364 0.2 . 1 . . . . 84 Leu CB . 16959 1 405 . 1 1 84 84 LEU N N 15 125.914 0.2 . 1 . . . . 84 Leu N . 16959 1 406 . 1 1 85 85 ARG H H 1 8.645 0.02 . 1 . . . . 85 Arg H . 16959 1 407 . 1 1 85 85 ARG C C 13 177.684 0.2 . 1 . . . . 85 Arg C . 16959 1 408 . 1 1 85 85 ARG CA C 13 54.099 0.2 . 1 . . . . 85 Arg CA . 16959 1 409 . 1 1 85 85 ARG CB C 13 34.533 0.2 . 1 . . . . 85 Arg CB . 16959 1 410 . 1 1 85 85 ARG N N 15 125.609 0.2 . 1 . . . . 85 Arg N . 16959 1 411 . 1 1 86 86 ARG H H 1 8.764 0.02 . 1 . . . . 86 Arg H . 16959 1 412 . 1 1 86 86 ARG C C 13 176.960 0.2 . 1 . . . . 86 Arg C . 16959 1 413 . 1 1 86 86 ARG CA C 13 56.655 0.2 . 1 . . . . 86 Arg CA . 16959 1 414 . 1 1 86 86 ARG CB C 13 30.327 0.2 . 1 . . . . 86 Arg CB . 16959 1 415 . 1 1 86 86 ARG N N 15 124.884 0.2 . 1 . . . . 86 Arg N . 16959 1 416 . 1 1 87 87 LYS H H 1 8.288 0.02 . 1 . . . . 87 Lys H . 16959 1 417 . 1 1 87 87 LYS C C 13 176.600 0.2 . 1 . . . . 87 Lys C . 16959 1 418 . 1 1 87 87 LYS CA C 13 56.751 0.2 . 1 . . . . 87 Lys CA . 16959 1 419 . 1 1 87 87 LYS CB C 13 34.320 0.2 . 1 . . . . 87 Lys CB . 16959 1 420 . 1 1 87 87 LYS N N 15 126.381 0.2 . 1 . . . . 87 Lys N . 16959 1 421 . 1 1 88 88 PHE H H 1 7.705 0.02 . 1 . . . . 88 Phe H . 16959 1 422 . 1 1 88 88 PHE CA C 13 56.550 0.2 . 1 . . . . 88 Phe CA . 16959 1 423 . 1 1 88 88 PHE CB C 13 37.151 0.2 . 1 . . . . 88 Phe CB . 16959 1 424 . 1 1 88 88 PHE N N 15 118.914 0.2 . 1 . . . . 88 Phe N . 16959 1 425 . 1 1 90 90 TYR C C 13 175.889 0.2 . 1 . . . . 90 Tyr C . 16959 1 426 . 1 1 90 90 TYR CA C 13 57.520 0.2 . 1 . . . . 90 Tyr CA . 16959 1 427 . 1 1 90 90 TYR CB C 13 38.947 0.2 . 1 . . . . 90 Tyr CB . 16959 1 428 . 1 1 91 91 SER H H 1 8.100 0.02 . 1 . . . . 91 Ser H . 16959 1 429 . 1 1 91 91 SER C C 13 177.911 0.2 . 1 . . . . 91 Ser C . 16959 1 430 . 1 1 91 91 SER CA C 13 59.002 0.2 . 1 . . . . 91 Ser CA . 16959 1 431 . 1 1 91 91 SER CB C 13 63.756 0.2 . 1 . . . . 91 Ser CB . 16959 1 432 . 1 1 91 91 SER N N 15 116.811 0.2 . 1 . . . . 91 Ser N . 16959 1 433 . 1 1 92 92 ASP H H 1 8.154 0.02 . 1 . . . . 92 Asp H . 16959 1 434 . 1 1 92 92 ASP C C 13 175.953 0.2 . 1 . . . . 92 Asp C . 16959 1 435 . 1 1 92 92 ASP CA C 13 54.147 0.2 . 1 . . . . 92 Asp CA . 16959 1 436 . 1 1 92 92 ASP CB C 13 40.976 0.2 . 1 . . . . 92 Asp CB . 16959 1 437 . 1 1 92 92 ASP N N 15 121.809 0.2 . 1 . . . . 92 Asp N . 16959 1 438 . 1 1 93 93 GLN H H 1 7.951 0.02 . 1 . . . . 93 Gln H . 16959 1 439 . 1 1 93 93 GLN C C 13 176.280 0.2 . 1 . . . . 93 Gln C . 16959 1 440 . 1 1 93 93 GLN CA C 13 56.117 0.2 . 1 . . . . 93 Gln CA . 16959 1 441 . 1 1 93 93 GLN CB C 13 29.210 0.2 . 1 . . . . 93 Gln CB . 16959 1 442 . 1 1 93 93 GLN N N 15 118.615 0.2 . 1 . . . . 93 Gln N . 16959 1 443 . 1 1 94 94 ASN H H 1 8.377 0.02 . 1 . . . . 94 Asn H . 16959 1 444 . 1 1 94 94 ASN C C 13 176.969 0.2 . 1 . . . . 94 Asn C . 16959 1 445 . 1 1 94 94 ASN CA C 13 53.502 0.2 . 1 . . . . 94 Asn CA . 16959 1 446 . 1 1 94 94 ASN CB C 13 39.026 0.2 . 1 . . . . 94 Asn CB . 16959 1 447 . 1 1 94 94 ASN N N 15 119.093 0.2 . 1 . . . . 94 Asn N . 16959 1 448 . 1 1 95 95 VAL H H 1 8.005 0.02 . 1 . . . . 95 Val H . 16959 1 449 . 1 1 95 95 VAL C C 13 177.178 0.2 . 1 . . . . 95 Val C . 16959 1 450 . 1 1 95 95 VAL CA C 13 62.540 0.2 . 1 . . . . 95 Val CA . 16959 1 451 . 1 1 95 95 VAL CB C 13 32.581 0.2 . 1 . . . . 95 Val CB . 16959 1 452 . 1 1 95 95 VAL N N 15 120.850 0.2 . 1 . . . . 95 Val N . 16959 1 453 . 1 1 96 96 ASP H H 1 8.348 0.02 . 1 . . . . 96 Asp H . 16959 1 454 . 1 1 96 96 ASP C C 13 175.870 0.2 . 1 . . . . 96 Asp C . 16959 1 455 . 1 1 96 96 ASP CA C 13 54.189 0.2 . 1 . . . . 96 Asp CA . 16959 1 456 . 1 1 96 96 ASP CB C 13 41.747 0.2 . 1 . . . . 96 Asp CB . 16959 1 457 . 1 1 96 96 ASP N N 15 123.557 0.2 . 1 . . . . 96 Asp N . 16959 1 458 . 1 1 97 97 SER H H 1 8.206 0.02 . 1 . . . . 97 Ser H . 16959 1 459 . 1 1 97 97 SER C C 13 177.575 0.2 . 1 . . . . 97 Ser C . 16959 1 460 . 1 1 97 97 SER CA C 13 58.776 0.2 . 1 . . . . 97 Ser CA . 16959 1 461 . 1 1 97 97 SER CB C 13 63.549 0.2 . 1 . . . . 97 Ser CB . 16959 1 462 . 1 1 97 97 SER N N 15 115.936 0.2 . 1 . . . . 97 Ser N . 16959 1 463 . 1 1 98 98 ARG H H 1 8.102 0.02 . 1 . . . . 98 Arg H . 16959 1 464 . 1 1 98 98 ARG C C 13 176.261 0.2 . 1 . . . . 98 Arg C . 16959 1 465 . 1 1 98 98 ARG CA C 13 56.900 0.2 . 1 . . . . 98 Arg CA . 16959 1 466 . 1 1 98 98 ARG CB C 13 30.107 0.2 . 1 . . . . 98 Arg CB . 16959 1 467 . 1 1 98 98 ARG N N 15 120.483 0.2 . 1 . . . . 98 Arg N . 16959 1 468 . 1 1 99 99 ASP H H 1 7.868 0.02 . 1 . . . . 99 Asp H . 16959 1 469 . 1 1 99 99 ASP CA C 13 50.943 0.2 . 1 . . . . 99 Asp CA . 16959 1 470 . 1 1 99 99 ASP CB C 13 41.541 0.2 . 1 . . . . 99 Asp CB . 16959 1 471 . 1 1 99 99 ASP N N 15 119.291 0.2 . 1 . . . . 99 Asp N . 16959 1 472 . 1 1 100 100 PRO C C 13 173.112 0.2 . 1 . . . . 100 Pro C . 16959 1 473 . 1 1 100 100 PRO CA C 13 64.868 0.2 . 1 . . . . 100 Pro CA . 16959 1 474 . 1 1 100 100 PRO CB C 13 32.257 0.2 . 1 . . . . 100 Pro CB . 16959 1 475 . 1 1 101 101 VAL H H 1 7.866 0.02 . 1 . . . . 101 Val H . 16959 1 476 . 1 1 101 101 VAL C C 13 173.242 0.2 . 1 . . . . 101 Val C . 16959 1 477 . 1 1 101 101 VAL CA C 13 66.101 0.2 . 1 . . . . 101 Val CA . 16959 1 478 . 1 1 101 101 VAL CB C 13 31.381 0.2 . 1 . . . . 101 Val CB . 16959 1 479 . 1 1 101 101 VAL N N 15 120.655 0.2 . 1 . . . . 101 Val N . 16959 1 480 . 1 1 102 102 GLN H H 1 7.577 0.02 . 1 . . . . 102 Gln H . 16959 1 481 . 1 1 102 102 GLN C C 13 173.487 0.2 . 1 . . . . 102 Gln C . 16959 1 482 . 1 1 102 102 GLN CA C 13 58.148 0.2 . 1 . . . . 102 Gln CA . 16959 1 483 . 1 1 102 102 GLN CB C 13 28.387 0.2 . 1 . . . . 102 Gln CB . 16959 1 484 . 1 1 102 102 GLN N N 15 120.829 0.2 . 1 . . . . 102 Gln N . 16959 1 485 . 1 1 103 103 LEU H H 1 8.289 0.02 . 1 . . . . 103 Leu H . 16959 1 486 . 1 1 103 103 LEU C C 13 173.847 0.2 . 1 . . . . 103 Leu C . 16959 1 487 . 1 1 103 103 LEU CA C 13 57.907 0.2 . 1 . . . . 103 Leu CA . 16959 1 488 . 1 1 103 103 LEU CB C 13 41.636 0.2 . 1 . . . . 103 Leu CB . 16959 1 489 . 1 1 103 103 LEU N N 15 119.171 0.2 . 1 . . . . 103 Leu N . 16959 1 490 . 1 1 104 104 ASN H H 1 7.748 0.02 . 1 . . . . 104 Asn H . 16959 1 491 . 1 1 104 104 ASN C C 13 175.725 0.2 . 1 . . . . 104 Asn C . 16959 1 492 . 1 1 104 104 ASN CA C 13 57.845 0.2 . 1 . . . . 104 Asn CA . 16959 1 493 . 1 1 104 104 ASN CB C 13 38.859 0.2 . 1 . . . . 104 Asn CB . 16959 1 494 . 1 1 104 104 ASN N N 15 115.251 0.2 . 1 . . . . 104 Asn N . 16959 1 495 . 1 1 105 105 LEU H H 1 7.479 0.02 . 1 . . . . 105 Leu H . 16959 1 496 . 1 1 105 105 LEU C C 13 172.162 0.2 . 1 . . . . 105 Leu C . 16959 1 497 . 1 1 105 105 LEU CA C 13 58.227 0.2 . 1 . . . . 105 Leu CA . 16959 1 498 . 1 1 105 105 LEU CB C 13 41.470 0.2 . 1 . . . . 105 Leu CB . 16959 1 499 . 1 1 105 105 LEU N N 15 118.111 0.2 . 1 . . . . 105 Leu N . 16959 1 500 . 1 1 106 106 LEU H H 1 7.903 0.02 . 1 . . . . 106 Leu H . 16959 1 501 . 1 1 106 106 LEU C C 13 172.534 0.2 . 1 . . . . 106 Leu C . 16959 1 502 . 1 1 106 106 LEU CA C 13 57.574 0.2 . 1 . . . . 106 Leu CA . 16959 1 503 . 1 1 106 106 LEU CB C 13 42.287 0.2 . 1 . . . . 106 Leu CB . 16959 1 504 . 1 1 106 106 LEU N N 15 119.178 0.2 . 1 . . . . 106 Leu N . 16959 1 505 . 1 1 107 107 TYR H H 1 8.434 0.02 . 1 . . . . 107 Tyr H . 16959 1 506 . 1 1 107 107 TYR C C 13 177.330 0.2 . 1 . . . . 107 Tyr C . 16959 1 507 . 1 1 107 107 TYR CA C 13 60.714 0.2 . 1 . . . . 107 Tyr CA . 16959 1 508 . 1 1 107 107 TYR CB C 13 37.916 0.2 . 1 . . . . 107 Tyr CB . 16959 1 509 . 1 1 107 107 TYR N N 15 120.696 0.2 . 1 . . . . 107 Tyr N . 16959 1 510 . 1 1 108 108 VAL H H 1 8.272 0.02 . 1 . . . . 108 Val H . 16959 1 511 . 1 1 108 108 VAL C C 13 174.815 0.2 . 1 . . . . 108 Val C . 16959 1 512 . 1 1 108 108 VAL CA C 13 66.785 0.2 . 1 . . . . 108 Val CA . 16959 1 513 . 1 1 108 108 VAL CB C 13 31.362 0.2 . 1 . . . . 108 Val CB . 16959 1 514 . 1 1 108 108 VAL N N 15 118.107 0.2 . 1 . . . . 108 Val N . 16959 1 515 . 1 1 109 109 GLN H H 1 7.223 0.02 . 1 . . . . 109 Gln H . 16959 1 516 . 1 1 109 109 GLN C C 13 174.502 0.2 . 1 . . . . 109 Gln C . 16959 1 517 . 1 1 109 109 GLN CA C 13 58.553 0.2 . 1 . . . . 109 Gln CA . 16959 1 518 . 1 1 109 109 GLN CB C 13 28.826 0.2 . 1 . . . . 109 Gln CB . 16959 1 519 . 1 1 109 109 GLN N N 15 116.116 0.2 . 1 . . . . 109 Gln N . 16959 1 520 . 1 1 110 110 ALA H H 1 7.706 0.02 . 1 . . . . 110 Ala H . 16959 1 521 . 1 1 110 110 ALA C C 13 172.797 0.2 . 1 . . . . 110 Ala C . 16959 1 522 . 1 1 110 110 ALA CA C 13 54.834 0.2 . 1 . . . . 110 Ala CA . 16959 1 523 . 1 1 110 110 ALA CB C 13 17.806 0.2 . 1 . . . . 110 Ala CB . 16959 1 524 . 1 1 110 110 ALA N N 15 120.838 0.2 . 1 . . . . 110 Ala N . 16959 1 525 . 1 1 111 111 ARG H H 1 8.567 0.02 . 1 . . . . 111 Arg H . 16959 1 526 . 1 1 111 111 ARG C C 13 173.166 0.2 . 1 . . . . 111 Arg C . 16959 1 527 . 1 1 111 111 ARG CA C 13 56.992 0.2 . 1 . . . . 111 Arg CA . 16959 1 528 . 1 1 111 111 ARG CB C 13 29.220 0.2 . 1 . . . . 111 Arg CB . 16959 1 529 . 1 1 111 111 ARG N N 15 119.553 0.2 . 1 . . . . 111 Arg N . 16959 1 530 . 1 1 112 112 ASP H H 1 8.465 0.02 . 1 . . . . 112 Asp H . 16959 1 531 . 1 1 112 112 ASP C C 13 173.489 0.2 . 1 . . . . 112 Asp C . 16959 1 532 . 1 1 112 112 ASP CA C 13 57.660 0.2 . 1 . . . . 112 Asp CA . 16959 1 533 . 1 1 112 112 ASP CB C 13 38.625 0.2 . 1 . . . . 112 Asp CB . 16959 1 534 . 1 1 112 112 ASP N N 15 119.977 0.2 . 1 . . . . 112 Asp N . 16959 1 535 . 1 1 113 113 ASP H H 1 7.677 0.02 . 1 . . . . 113 Asp H . 16959 1 536 . 1 1 113 113 ASP C C 13 173.252 0.2 . 1 . . . . 113 Asp C . 16959 1 537 . 1 1 113 113 ASP CA C 13 56.617 0.2 . 1 . . . . 113 Asp CA . 16959 1 538 . 1 1 113 113 ASP CB C 13 40.091 0.2 . 1 . . . . 113 Asp CB . 16959 1 539 . 1 1 113 113 ASP N N 15 119.273 0.2 . 1 . . . . 113 Asp N . 16959 1 540 . 1 1 114 114 ILE H H 1 7.596 0.02 . 1 . . . . 114 Ile H . 16959 1 541 . 1 1 114 114 ILE C C 13 171.853 0.2 . 1 . . . . 114 Ile C . 16959 1 542 . 1 1 114 114 ILE CA C 13 56.600 0.2 . 1 . . . . 114 Ile CA . 16959 1 543 . 1 1 114 114 ILE CB C 13 36.828 0.2 . 1 . . . . 114 Ile CB . 16959 1 544 . 1 1 114 114 ILE N N 15 122.295 0.2 . 1 . . . . 114 Ile N . 16959 1 545 . 1 1 115 115 LEU H H 1 8.895 0.02 . 1 . . . . 115 Leu H . 16959 1 546 . 1 1 115 115 LEU C C 13 172.293 0.2 . 1 . . . . 115 Leu C . 16959 1 547 . 1 1 115 115 LEU CA C 13 58.092 0.2 . 1 . . . . 115 Leu CA . 16959 1 548 . 1 1 115 115 LEU CB C 13 41.042 0.2 . 1 . . . . 115 Leu CB . 16959 1 549 . 1 1 115 115 LEU N N 15 119.836 0.2 . 1 . . . . 115 Leu N . 16959 1 550 . 1 1 116 116 ASN H H 1 8.553 0.02 . 1 . . . . 116 Asn H . 16959 1 551 . 1 1 116 116 ASN C C 13 175.058 0.2 . 1 . . . . 116 Asn C . 16959 1 552 . 1 1 116 116 ASN CA C 13 52.898 0.2 . 1 . . . . 116 Asn CA . 16959 1 553 . 1 1 116 116 ASN CB C 13 37.860 0.2 . 1 . . . . 116 Asn CB . 16959 1 554 . 1 1 116 116 ASN N N 15 114.053 0.2 . 1 . . . . 116 Asn N . 16959 1 555 . 1 1 117 117 GLY H H 1 7.446 0.02 . 1 . . . . 117 Gly H . 16959 1 556 . 1 1 117 117 GLY C C 13 177.336 0.2 . 1 . . . . 117 Gly C . 16959 1 557 . 1 1 117 117 GLY CA C 13 45.604 0.2 . 1 . . . . 117 Gly CA . 16959 1 558 . 1 1 117 117 GLY N N 15 106.996 0.2 . 1 . . . . 117 Gly N . 16959 1 559 . 1 1 118 118 SER H H 1 8.519 0.02 . 1 . . . . 118 Ser H . 16959 1 560 . 1 1 118 118 SER C C 13 178.166 0.2 . 1 . . . . 118 Ser C . 16959 1 561 . 1 1 118 118 SER CA C 13 60.880 0.2 . 1 . . . . 118 Ser CA . 16959 1 562 . 1 1 118 118 SER CB C 13 62.734 0.2 . 1 . . . . 118 Ser CB . 16959 1 563 . 1 1 118 118 SER N N 15 117.625 0.2 . 1 . . . . 118 Ser N . 16959 1 564 . 1 1 119 119 HIS H H 1 7.601 0.02 . 1 . . . . 119 His H . 16959 1 565 . 1 1 119 119 HIS CA C 13 50.711 0.2 . 1 . . . . 119 His CA . 16959 1 566 . 1 1 119 119 HIS CB C 13 29.643 0.2 . 1 . . . . 119 His CB . 16959 1 567 . 1 1 119 119 HIS N N 15 120.005 0.2 . 1 . . . . 119 His N . 16959 1 568 . 1 1 120 120 PRO C C 13 175.621 0.2 . 1 . . . . 120 Pro C . 16959 1 569 . 1 1 120 120 PRO CA C 13 63.484 0.2 . 1 . . . . 120 Pro CA . 16959 1 570 . 1 1 120 120 PRO CB C 13 32.156 0.2 . 1 . . . . 120 Pro CB . 16959 1 571 . 1 1 121 121 VAL H H 1 8.311 0.02 . 1 . . . . 121 Val H . 16959 1 572 . 1 1 121 121 VAL C C 13 176.515 0.2 . 1 . . . . 121 Val C . 16959 1 573 . 1 1 121 121 VAL CA C 13 58.957 0.2 . 1 . . . . 121 Val CA . 16959 1 574 . 1 1 121 121 VAL CB C 13 37.336 0.2 . 1 . . . . 121 Val CB . 16959 1 575 . 1 1 121 121 VAL N N 15 115.469 0.2 . 1 . . . . 121 Val N . 16959 1 576 . 1 1 122 122 SER H H 1 8.558 0.02 . 1 . . . . 122 Ser H . 16959 1 577 . 1 1 122 122 SER C C 13 178.270 0.2 . 1 . . . . 122 Ser C . 16959 1 578 . 1 1 122 122 SER CA C 13 57.431 0.2 . 1 . . . . 122 Ser CA . 16959 1 579 . 1 1 122 122 SER CB C 13 65.015 0.2 . 1 . . . . 122 Ser CB . 16959 1 580 . 1 1 122 122 SER N N 15 118.899 0.2 . 1 . . . . 122 Ser N . 16959 1 581 . 1 1 123 123 PHE H H 1 9.004 0.02 . 1 . . . . 123 Phe H . 16959 1 582 . 1 1 123 123 PHE C C 13 174.613 0.2 . 1 . . . . 123 Phe C . 16959 1 583 . 1 1 123 123 PHE CA C 13 60.131 0.2 . 1 . . . . 123 Phe CA . 16959 1 584 . 1 1 123 123 PHE CB C 13 38.742 0.2 . 1 . . . . 123 Phe CB . 16959 1 585 . 1 1 123 123 PHE N N 15 123.256 0.2 . 1 . . . . 123 Phe N . 16959 1 586 . 1 1 124 124 ASP H H 1 8.446 0.02 . 1 . . . . 124 Asp H . 16959 1 587 . 1 1 124 124 ASP C C 13 172.549 0.2 . 1 . . . . 124 Asp C . 16959 1 588 . 1 1 124 124 ASP CA C 13 57.669 0.2 . 1 . . . . 124 Asp CA . 16959 1 589 . 1 1 124 124 ASP CB C 13 40.108 0.2 . 1 . . . . 124 Asp CB . 16959 1 590 . 1 1 124 124 ASP N N 15 117.462 0.2 . 1 . . . . 124 Asp N . 16959 1 591 . 1 1 125 125 LYS H H 1 7.640 0.02 . 1 . . . . 125 Lys H . 16959 1 592 . 1 1 125 125 LYS C C 13 174.004 0.2 . 1 . . . . 125 Lys C . 16959 1 593 . 1 1 125 125 LYS CA C 13 58.214 0.2 . 1 . . . . 125 Lys CA . 16959 1 594 . 1 1 125 125 LYS CB C 13 31.721 0.2 . 1 . . . . 125 Lys CB . 16959 1 595 . 1 1 125 125 LYS N N 15 120.782 0.2 . 1 . . . . 125 Lys N . 16959 1 596 . 1 1 126 126 ALA H H 1 9.026 0.02 . 1 . . . . 126 Ala H . 16959 1 597 . 1 1 126 126 ALA C C 13 171.027 0.2 . 1 . . . . 126 Ala C . 16959 1 598 . 1 1 126 126 ALA CA C 13 55.992 0.2 . 1 . . . . 126 Ala CA . 16959 1 599 . 1 1 126 126 ALA CB C 13 17.909 0.2 . 1 . . . . 126 Ala CB . 16959 1 600 . 1 1 126 126 ALA N N 15 121.609 0.2 . 1 . . . . 126 Ala N . 16959 1 601 . 1 1 127 127 CYS H H 1 7.708 0.02 . 1 . . . . 127 Cys H . 16959 1 602 . 1 1 127 127 CYS C C 13 176.921 0.2 . 1 . . . . 127 Cys C . 16959 1 603 . 1 1 127 127 CYS CA C 13 63.900 0.2 . 1 . . . . 127 Cys CA . 16959 1 604 . 1 1 127 127 CYS CB C 13 26.985 0.2 . 1 . . . . 127 Cys CB . 16959 1 605 . 1 1 127 127 CYS N N 15 115.770 0.2 . 1 . . . . 127 Cys N . 16959 1 606 . 1 1 128 128 GLU H H 1 7.272 0.02 . 1 . . . . 128 Glu H . 16959 1 607 . 1 1 128 128 GLU C C 13 172.133 0.2 . 1 . . . . 128 Glu C . 16959 1 608 . 1 1 128 128 GLU CA C 13 59.771 0.2 . 1 . . . . 128 Glu CA . 16959 1 609 . 1 1 128 128 GLU CB C 13 29.216 0.2 . 1 . . . . 128 Glu CB . 16959 1 610 . 1 1 128 128 GLU N N 15 121.371 0.2 . 1 . . . . 128 Glu N . 16959 1 611 . 1 1 129 129 PHE H H 1 8.436 0.02 . 1 . . . . 129 Phe H . 16959 1 612 . 1 1 129 129 PHE C C 13 173.989 0.2 . 1 . . . . 129 Phe C . 16959 1 613 . 1 1 129 129 PHE CA C 13 63.742 0.2 . 1 . . . . 129 Phe CA . 16959 1 614 . 1 1 129 129 PHE CB C 13 37.684 0.2 . 1 . . . . 129 Phe CB . 16959 1 615 . 1 1 129 129 PHE N N 15 118.590 0.2 . 1 . . . . 129 Phe N . 16959 1 616 . 1 1 130 130 ALA H H 1 8.139 0.02 . 1 . . . . 130 Ala H . 16959 1 617 . 1 1 130 130 ALA C C 13 172.012 0.2 . 1 . . . . 130 Ala C . 16959 1 618 . 1 1 130 130 ALA CA C 13 54.532 0.2 . 1 . . . . 130 Ala CA . 16959 1 619 . 1 1 130 130 ALA CB C 13 19.247 0.2 . 1 . . . . 130 Ala CB . 16959 1 620 . 1 1 130 130 ALA N N 15 119.638 0.2 . 1 . . . . 130 Ala N . 16959 1 621 . 1 1 131 131 GLY H H 1 8.134 0.02 . 1 . . . . 131 Gly H . 16959 1 622 . 1 1 131 131 GLY C C 13 176.519 0.2 . 1 . . . . 131 Gly C . 16959 1 623 . 1 1 131 131 GLY CA C 13 48.106 0.2 . 1 . . . . 131 Gly CA . 16959 1 624 . 1 1 131 131 GLY N N 15 107.277 0.2 . 1 . . . . 131 Gly N . 16959 1 625 . 1 1 132 132 PHE H H 1 7.297 0.02 . 1 . . . . 132 Phe H . 16959 1 626 . 1 1 132 132 PHE C C 13 173.956 0.2 . 1 . . . . 132 Phe C . 16959 1 627 . 1 1 132 132 PHE CA C 13 60.813 0.2 . 1 . . . . 132 Phe CA . 16959 1 628 . 1 1 132 132 PHE CB C 13 39.868 0.2 . 1 . . . . 132 Phe CB . 16959 1 629 . 1 1 132 132 PHE N N 15 119.318 0.2 . 1 . . . . 132 Phe N . 16959 1 630 . 1 1 133 133 GLN H H 1 9.041 0.02 . 1 . . . . 133 Gln H . 16959 1 631 . 1 1 133 133 GLN C C 13 172.769 0.2 . 1 . . . . 133 Gln C . 16959 1 632 . 1 1 133 133 GLN CA C 13 59.693 0.2 . 1 . . . . 133 Gln CA . 16959 1 633 . 1 1 133 133 GLN CB C 13 28.764 0.2 . 1 . . . . 133 Gln CB . 16959 1 634 . 1 1 133 133 GLN N N 15 121.835 0.2 . 1 . . . . 133 Gln N . 16959 1 635 . 1 1 134 134 CYS H H 1 8.769 0.02 . 1 . . . . 134 Cys H . 16959 1 636 . 1 1 134 134 CYS C C 13 176.308 0.2 . 1 . . . . 134 Cys C . 16959 1 637 . 1 1 134 134 CYS CA C 13 64.482 0.2 . 1 . . . . 134 Cys CA . 16959 1 638 . 1 1 134 134 CYS CB C 13 24.791 0.2 . 1 . . . . 134 Cys CB . 16959 1 639 . 1 1 134 134 CYS N N 15 117.695 0.2 . 1 . . . . 134 Cys N . 16959 1 640 . 1 1 135 135 GLN H H 1 7.620 0.02 . 1 . . . . 135 Gln H . 16959 1 641 . 1 1 135 135 GLN C C 13 172.083 0.2 . 1 . . . . 135 Gln C . 16959 1 642 . 1 1 135 135 GLN CA C 13 58.716 0.2 . 1 . . . . 135 Gln CA . 16959 1 643 . 1 1 135 135 GLN CB C 13 27.229 0.2 . 1 . . . . 135 Gln CB . 16959 1 644 . 1 1 135 135 GLN N N 15 123.075 0.2 . 1 . . . . 135 Gln N . 16959 1 645 . 1 1 136 136 ILE H H 1 8.261 0.02 . 1 . . . . 136 Ile H . 16959 1 646 . 1 1 136 136 ILE C C 13 174.815 0.2 . 1 . . . . 136 Ile C . 16959 1 647 . 1 1 136 136 ILE CA C 13 65.439 0.2 . 1 . . . . 136 Ile CA . 16959 1 648 . 1 1 136 136 ILE CB C 13 39.092 0.2 . 1 . . . . 136 Ile CB . 16959 1 649 . 1 1 136 136 ILE N N 15 119.520 0.2 . 1 . . . . 136 Ile N . 16959 1 650 . 1 1 137 137 GLN H H 1 8.223 0.02 . 1 . . . . 137 Gln H . 16959 1 651 . 1 1 137 137 GLN C C 13 174.032 0.2 . 1 . . . . 137 Gln C . 16959 1 652 . 1 1 137 137 GLN CA C 13 58.777 0.2 . 1 . . . . 137 Gln CA . 16959 1 653 . 1 1 137 137 GLN CB C 13 28.315 0.2 . 1 . . . . 137 Gln CB . 16959 1 654 . 1 1 137 137 GLN N N 15 115.708 0.2 . 1 . . . . 137 Gln N . 16959 1 655 . 1 1 138 138 PHE H H 1 8.888 0.02 . 1 . . . . 138 Phe H . 16959 1 656 . 1 1 138 138 PHE C C 13 174.652 0.2 . 1 . . . . 138 Phe C . 16959 1 657 . 1 1 138 138 PHE CA C 13 56.414 0.2 . 1 . . . . 138 Phe CA . 16959 1 658 . 1 1 138 138 PHE CB C 13 40.276 0.2 . 1 . . . . 138 Phe CB . 16959 1 659 . 1 1 138 138 PHE N N 15 114.867 0.2 . 1 . . . . 138 Phe N . 16959 1 660 . 1 1 139 139 GLY H H 1 7.653 0.02 . 1 . . . . 139 Gly H . 16959 1 661 . 1 1 139 139 GLY CA C 13 44.366 0.2 . 1 . . . . 139 Gly CA . 16959 1 662 . 1 1 139 139 GLY N N 15 111.178 0.2 . 1 . . . . 139 Gly N . 16959 1 663 . 1 1 140 140 PRO C C 13 175.987 0.2 . 1 . . . . 140 Pro C . 16959 1 664 . 1 1 140 140 PRO CA C 13 62.556 0.2 . 1 . . . . 140 Pro CA . 16959 1 665 . 1 1 140 140 PRO CB C 13 32.175 0.2 . 1 . . . . 140 Pro CB . 16959 1 666 . 1 1 141 141 HIS H H 1 8.853 0.02 . 1 . . . . 141 His H . 16959 1 667 . 1 1 141 141 HIS C C 13 177.290 0.2 . 1 . . . . 141 His C . 16959 1 668 . 1 1 141 141 HIS CA C 13 58.329 0.2 . 1 . . . . 141 His CA . 16959 1 669 . 1 1 141 141 HIS CB C 13 28.390 0.2 . 1 . . . . 141 His CB . 16959 1 670 . 1 1 141 141 HIS N N 15 124.177 0.2 . 1 . . . . 141 His N . 16959 1 671 . 1 1 142 142 ASN H H 1 10.027 0.02 . 1 . . . . 142 Asn H . 16959 1 672 . 1 1 142 142 ASN C C 13 177.152 0.2 . 1 . . . . 142 Asn C . 16959 1 673 . 1 1 142 142 ASN CA C 13 51.152 0.2 . 1 . . . . 142 Asn CA . 16959 1 674 . 1 1 142 142 ASN CB C 13 39.327 0.2 . 1 . . . . 142 Asn CB . 16959 1 675 . 1 1 142 142 ASN N N 15 130.778 0.2 . 1 . . . . 142 Asn N . 16959 1 676 . 1 1 143 143 GLU H H 1 9.064 0.02 . 1 . . . . 143 Glu H . 16959 1 677 . 1 1 143 143 GLU C C 13 175.673 0.2 . 1 . . . . 143 Glu C . 16959 1 678 . 1 1 143 143 GLU CA C 13 58.651 0.2 . 1 . . . . 143 Glu CA . 16959 1 679 . 1 1 143 143 GLU CB C 13 29.378 0.2 . 1 . . . . 143 Glu CB . 16959 1 680 . 1 1 143 143 GLU N N 15 125.314 0.2 . 1 . . . . 143 Glu N . 16959 1 681 . 1 1 144 144 GLN H H 1 7.549 0.02 . 1 . . . . 144 Gln H . 16959 1 682 . 1 1 144 144 GLN C C 13 175.977 0.2 . 1 . . . . 144 Gln C . 16959 1 683 . 1 1 144 144 GLN CA C 13 57.208 0.2 . 1 . . . . 144 Gln CA . 16959 1 684 . 1 1 144 144 GLN CB C 13 28.430 0.2 . 1 . . . . 144 Gln CB . 16959 1 685 . 1 1 144 144 GLN N N 15 114.506 0.2 . 1 . . . . 144 Gln N . 16959 1 686 . 1 1 145 145 LYS H H 1 6.775 0.02 . 1 . . . . 145 Lys H . 16959 1 687 . 1 1 145 145 LYS C C 13 176.398 0.2 . 1 . . . . 145 Lys C . 16959 1 688 . 1 1 145 145 LYS CA C 13 56.062 0.2 . 1 . . . . 145 Lys CA . 16959 1 689 . 1 1 145 145 LYS CB C 13 35.046 0.2 . 1 . . . . 145 Lys CB . 16959 1 690 . 1 1 145 145 LYS N N 15 116.209 0.2 . 1 . . . . 145 Lys N . 16959 1 691 . 1 1 146 146 HIS H H 1 7.750 0.02 . 1 . . . . 146 His H . 16959 1 692 . 1 1 146 146 HIS C C 13 180.394 0.2 . 1 . . . . 146 His C . 16959 1 693 . 1 1 146 146 HIS CA C 13 53.925 0.2 . 1 . . . . 146 His CA . 16959 1 694 . 1 1 146 146 HIS CB C 13 29.352 0.2 . 1 . . . . 146 His CB . 16959 1 695 . 1 1 146 146 HIS N N 15 122.281 0.2 . 1 . . . . 146 His N . 16959 1 696 . 1 1 147 147 LYS H H 1 6.565 0.02 . 1 . . . . 147 Lys H . 16959 1 697 . 1 1 147 147 LYS C C 13 177.014 0.2 . 1 . . . . 147 Lys C . 16959 1 698 . 1 1 147 147 LYS CA C 13 53.951 0.2 . 1 . . . . 147 Lys CA . 16959 1 699 . 1 1 147 147 LYS CB C 13 34.693 0.2 . 1 . . . . 147 Lys CB . 16959 1 700 . 1 1 147 147 LYS N N 15 118.088 0.2 . 1 . . . . 147 Lys N . 16959 1 701 . 1 1 148 148 ALA H H 1 8.346 0.02 . 1 . . . . 148 Ala H . 16959 1 702 . 1 1 148 148 ALA C C 13 173.243 0.2 . 1 . . . . 148 Ala C . 16959 1 703 . 1 1 148 148 ALA CA C 13 54.033 0.2 . 1 . . . . 148 Ala CA . 16959 1 704 . 1 1 148 148 ALA CB C 13 18.159 0.2 . 1 . . . . 148 Ala CB . 16959 1 705 . 1 1 148 148 ALA N N 15 121.775 0.2 . 1 . . . . 148 Ala N . 16959 1 706 . 1 1 149 149 GLY H H 1 10.123 0.02 . 1 . . . . 149 Gly H . 16959 1 707 . 1 1 149 149 GLY C C 13 176.871 0.2 . 1 . . . . 149 Gly C . 16959 1 708 . 1 1 149 149 GLY CA C 13 45.077 0.2 . 1 . . . . 149 Gly CA . 16959 1 709 . 1 1 149 149 GLY N N 15 114.463 0.2 . 1 . . . . 149 Gly N . 16959 1 710 . 1 1 150 150 PHE H H 1 8.560 0.02 . 1 . . . . 150 Phe H . 16959 1 711 . 1 1 150 150 PHE C C 13 176.467 0.2 . 1 . . . . 150 Phe C . 16959 1 712 . 1 1 150 150 PHE CA C 13 59.985 0.2 . 1 . . . . 150 Phe CA . 16959 1 713 . 1 1 150 150 PHE CB C 13 41.231 0.2 . 1 . . . . 150 Phe CB . 16959 1 714 . 1 1 150 150 PHE N N 15 121.667 0.2 . 1 . . . . 150 Phe N . 16959 1 715 . 1 1 151 151 LEU H H 1 7.963 0.02 . 1 . . . . 151 Leu H . 16959 1 716 . 1 1 151 151 LEU C C 13 175.700 0.2 . 1 . . . . 151 Leu C . 16959 1 717 . 1 1 151 151 LEU CA C 13 53.730 0.2 . 1 . . . . 151 Leu CA . 16959 1 718 . 1 1 151 151 LEU CB C 13 43.218 0.2 . 1 . . . . 151 Leu CB . 16959 1 719 . 1 1 151 151 LEU N N 15 115.488 0.2 . 1 . . . . 151 Leu N . 16959 1 720 . 1 1 152 152 ASP H H 1 8.696 0.02 . 1 . . . . 152 Asp H . 16959 1 721 . 1 1 152 152 ASP C C 13 174.670 0.2 . 1 . . . . 152 Asp C . 16959 1 722 . 1 1 152 152 ASP CA C 13 52.781 0.2 . 1 . . . . 152 Asp CA . 16959 1 723 . 1 1 152 152 ASP CB C 13 40.000 0.2 . 1 . . . . 152 Asp CB . 16959 1 724 . 1 1 152 152 ASP N N 15 123.123 0.2 . 1 . . . . 152 Asp N . 16959 1 725 . 1 1 153 153 LEU H H 1 8.538 0.02 . 1 . . . . 153 Leu H . 16959 1 726 . 1 1 153 153 LEU C C 13 173.770 0.2 . 1 . . . . 153 Leu C . 16959 1 727 . 1 1 153 153 LEU CA C 13 58.712 0.2 . 1 . . . . 153 Leu CA . 16959 1 728 . 1 1 153 153 LEU CB C 13 41.836 0.2 . 1 . . . . 153 Leu CB . 16959 1 729 . 1 1 153 153 LEU N N 15 124.558 0.2 . 1 . . . . 153 Leu N . 16959 1 730 . 1 1 154 154 LYS H H 1 8.302 0.02 . 1 . . . . 154 Lys H . 16959 1 731 . 1 1 154 154 LYS C C 13 174.991 0.2 . 1 . . . . 154 Lys C . 16959 1 732 . 1 1 154 154 LYS CA C 13 58.187 0.2 . 1 . . . . 154 Lys CA . 16959 1 733 . 1 1 154 154 LYS CB C 13 31.165 0.2 . 1 . . . . 154 Lys CB . 16959 1 734 . 1 1 154 154 LYS N N 15 116.466 0.2 . 1 . . . . 154 Lys N . 16959 1 735 . 1 1 155 155 ASP H H 1 7.991 0.02 . 1 . . . . 155 Asp H . 16959 1 736 . 1 1 155 155 ASP C C 13 176.835 0.2 . 1 . . . . 155 Asp C . 16959 1 737 . 1 1 155 155 ASP CA C 13 54.713 0.2 . 1 . . . . 155 Asp CA . 16959 1 738 . 1 1 155 155 ASP CB C 13 41.391 0.2 . 1 . . . . 155 Asp CB . 16959 1 739 . 1 1 155 155 ASP N N 15 117.690 0.2 . 1 . . . . 155 Asp N . 16959 1 740 . 1 1 156 156 PHE H H 1 7.488 0.02 . 1 . . . . 156 Phe H . 16959 1 741 . 1 1 156 156 PHE C C 13 178.671 0.2 . 1 . . . . 156 Phe C . 16959 1 742 . 1 1 156 156 PHE CA C 13 58.794 0.2 . 1 . . . . 156 Phe CA . 16959 1 743 . 1 1 156 156 PHE CB C 13 43.803 0.2 . 1 . . . . 156 Phe CB . 16959 1 744 . 1 1 156 156 PHE N N 15 114.955 0.2 . 1 . . . . 156 Phe N . 16959 1 745 . 1 1 157 157 LEU H H 1 7.431 0.02 . 1 . . . . 157 Leu H . 16959 1 746 . 1 1 157 157 LEU CA C 13 50.966 0.2 . 1 . . . . 157 Leu CA . 16959 1 747 . 1 1 157 157 LEU CB C 13 46.167 0.2 . 1 . . . . 157 Leu CB . 16959 1 748 . 1 1 157 157 LEU N N 15 117.978 0.2 . 1 . . . . 157 Leu N . 16959 1 749 . 1 1 158 158 PRO C C 13 174.482 0.2 . 1 . . . . 158 Pro C . 16959 1 750 . 1 1 158 158 PRO CA C 13 62.167 0.2 . 1 . . . . 158 Pro CA . 16959 1 751 . 1 1 158 158 PRO CB C 13 32.213 0.2 . 1 . . . . 158 Pro CB . 16959 1 752 . 1 1 159 159 LYS H H 1 8.498 0.02 . 1 . . . . 159 Lys H . 16959 1 753 . 1 1 159 159 LYS C C 13 173.651 0.2 . 1 . . . . 159 Lys C . 16959 1 754 . 1 1 159 159 LYS CA C 13 59.880 0.2 . 1 . . . . 159 Lys CA . 16959 1 755 . 1 1 159 159 LYS CB C 13 32.477 0.2 . 1 . . . . 159 Lys CB . 16959 1 756 . 1 1 159 159 LYS N N 15 122.586 0.2 . 1 . . . . 159 Lys N . 16959 1 757 . 1 1 160 160 GLU H H 1 9.245 0.02 . 1 . . . . 160 Glu H . 16959 1 758 . 1 1 160 160 GLU C C 13 174.813 0.2 . 1 . . . . 160 Glu C . 16959 1 759 . 1 1 160 160 GLU CA C 13 58.558 0.2 . 1 . . . . 160 Glu CA . 16959 1 760 . 1 1 160 160 GLU CB C 13 28.652 0.2 . 1 . . . . 160 Glu CB . 16959 1 761 . 1 1 160 160 GLU N N 15 117.616 0.2 . 1 . . . . 160 Glu N . 16959 1 762 . 1 1 161 161 TYR H H 1 7.963 0.02 . 1 . . . . 161 Tyr H . 16959 1 763 . 1 1 161 161 TYR C C 13 175.631 0.2 . 1 . . . . 161 Tyr C . 16959 1 764 . 1 1 161 161 TYR CA C 13 55.206 0.2 . 1 . . . . 161 Tyr CA . 16959 1 765 . 1 1 161 161 TYR CB C 13 40.088 0.2 . 1 . . . . 161 Tyr CB . 16959 1 766 . 1 1 161 161 TYR N N 15 115.928 0.2 . 1 . . . . 161 Tyr N . 16959 1 767 . 1 1 162 162 VAL H H 1 7.232 0.02 . 1 . . . . 162 Val H . 16959 1 768 . 1 1 162 162 VAL C C 13 175.886 0.2 . 1 . . . . 162 Val C . 16959 1 769 . 1 1 162 162 VAL CA C 13 66.253 0.2 . 1 . . . . 162 Val CA . 16959 1 770 . 1 1 162 162 VAL CB C 13 31.658 0.2 . 1 . . . . 162 Val CB . 16959 1 771 . 1 1 162 162 VAL N N 15 119.672 0.2 . 1 . . . . 162 Val N . 16959 1 772 . 1 1 163 163 LYS H H 1 8.112 0.02 . 1 . . . . 163 Lys H . 16959 1 773 . 1 1 163 163 LYS C C 13 175.311 0.2 . 1 . . . . 163 Lys C . 16959 1 774 . 1 1 163 163 LYS CA C 13 55.971 0.2 . 1 . . . . 163 Lys CA . 16959 1 775 . 1 1 163 163 LYS CB C 13 32.064 0.2 . 1 . . . . 163 Lys CB . 16959 1 776 . 1 1 163 163 LYS N N 15 118.509 0.2 . 1 . . . . 163 Lys N . 16959 1 777 . 1 1 164 164 GLN H H 1 7.521 0.02 . 1 . . . . 164 Gln H . 16959 1 778 . 1 1 164 164 GLN C C 13 176.227 0.2 . 1 . . . . 164 Gln C . 16959 1 779 . 1 1 164 164 GLN CA C 13 56.284 0.2 . 1 . . . . 164 Gln CA . 16959 1 780 . 1 1 164 164 GLN CB C 13 28.978 0.2 . 1 . . . . 164 Gln CB . 16959 1 781 . 1 1 164 164 GLN N N 15 119.008 0.2 . 1 . . . . 164 Gln N . 16959 1 782 . 1 1 165 165 LYS H H 1 8.356 0.02 . 1 . . . . 165 Lys H . 16959 1 783 . 1 1 165 165 LYS C C 13 174.277 0.2 . 1 . . . . 165 Lys C . 16959 1 784 . 1 1 165 165 LYS CA C 13 56.806 0.2 . 1 . . . . 165 Lys CA . 16959 1 785 . 1 1 165 165 LYS CB C 13 29.597 0.2 . 1 . . . . 165 Lys CB . 16959 1 786 . 1 1 165 165 LYS N N 15 118.038 0.2 . 1 . . . . 165 Lys N . 16959 1 787 . 1 1 166 166 GLY H H 1 8.377 0.02 . 1 . . . . 166 Gly H . 16959 1 788 . 1 1 166 166 GLY C C 13 177.880 0.2 . 1 . . . . 166 Gly C . 16959 1 789 . 1 1 166 166 GLY CA C 13 46.303 0.2 . 1 . . . . 166 Gly CA . 16959 1 790 . 1 1 166 166 GLY N N 15 106.385 0.2 . 1 . . . . 166 Gly N . 16959 1 791 . 1 1 167 167 GLU H H 1 8.778 0.02 . 1 . . . . 167 Glu H . 16959 1 792 . 1 1 167 167 GLU C C 13 175.154 0.2 . 1 . . . . 167 Glu C . 16959 1 793 . 1 1 167 167 GLU CA C 13 61.557 0.2 . 1 . . . . 167 Glu CA . 16959 1 794 . 1 1 167 167 GLU CB C 13 29.830 0.2 . 1 . . . . 167 Glu CB . 16959 1 795 . 1 1 167 167 GLU N N 15 121.242 0.2 . 1 . . . . 167 Glu N . 16959 1 796 . 1 1 168 168 ARG H H 1 8.418 0.02 . 1 . . . . 168 Arg H . 16959 1 797 . 1 1 168 168 ARG C C 13 172.796 0.2 . 1 . . . . 168 Arg C . 16959 1 798 . 1 1 168 168 ARG CA C 13 59.710 0.2 . 1 . . . . 168 Arg CA . 16959 1 799 . 1 1 168 168 ARG CB C 13 29.421 0.2 . 1 . . . . 168 Arg CB . 16959 1 800 . 1 1 168 168 ARG N N 15 116.288 0.2 . 1 . . . . 168 Arg N . 16959 1 801 . 1 1 169 169 LYS H H 1 7.451 0.02 . 1 . . . . 169 Lys H . 16959 1 802 . 1 1 169 169 LYS C C 13 171.954 0.2 . 1 . . . . 169 Lys C . 16959 1 803 . 1 1 169 169 LYS CA C 13 59.218 0.2 . 1 . . . . 169 Lys CA . 16959 1 804 . 1 1 169 169 LYS CB C 13 32.522 0.2 . 1 . . . . 169 Lys CB . 16959 1 805 . 1 1 169 169 LYS N N 15 119.287 0.2 . 1 . . . . 169 Lys N . 16959 1 806 . 1 1 170 170 ILE H H 1 8.044 0.02 . 1 . . . . 170 Ile H . 16959 1 807 . 1 1 170 170 ILE C C 13 174.128 0.2 . 1 . . . . 170 Ile C . 16959 1 808 . 1 1 170 170 ILE CA C 13 65.621 0.2 . 1 . . . . 170 Ile CA . 16959 1 809 . 1 1 170 170 ILE CB C 13 37.799 0.2 . 1 . . . . 170 Ile CB . 16959 1 810 . 1 1 170 170 ILE N N 15 122.308 0.2 . 1 . . . . 170 Ile N . 16959 1 811 . 1 1 171 171 PHE H H 1 8.433 0.02 . 1 . . . . 171 Phe H . 16959 1 812 . 1 1 171 171 PHE C C 13 173.536 0.2 . 1 . . . . 171 Phe C . 16959 1 813 . 1 1 171 171 PHE CA C 13 58.613 0.2 . 1 . . . . 171 Phe CA . 16959 1 814 . 1 1 171 171 PHE CB C 13 37.332 0.2 . 1 . . . . 171 Phe CB . 16959 1 815 . 1 1 171 171 PHE N N 15 117.890 0.2 . 1 . . . . 171 Phe N . 16959 1 816 . 1 1 172 172 GLN H H 1 7.956 0.02 . 1 . . . . 172 Gln H . 16959 1 817 . 1 1 172 172 GLN C C 13 174.459 0.2 . 1 . . . . 172 Gln C . 16959 1 818 . 1 1 172 172 GLN CA C 13 58.783 0.2 . 1 . . . . 172 Gln CA . 16959 1 819 . 1 1 172 172 GLN CB C 13 28.393 0.2 . 1 . . . . 172 Gln CB . 16959 1 820 . 1 1 172 172 GLN N N 15 120.159 0.2 . 1 . . . . 172 Gln N . 16959 1 821 . 1 1 173 173 ALA H H 1 7.459 0.02 . 1 . . . . 173 Ala H . 16959 1 822 . 1 1 173 173 ALA C C 13 172.371 0.2 . 1 . . . . 173 Ala C . 16959 1 823 . 1 1 173 173 ALA CA C 13 55.043 0.2 . 1 . . . . 173 Ala CA . 16959 1 824 . 1 1 173 173 ALA CB C 13 18.255 0.2 . 1 . . . . 173 Ala CB . 16959 1 825 . 1 1 173 173 ALA N N 15 122.684 0.2 . 1 . . . . 173 Ala N . 16959 1 826 . 1 1 174 174 HIS H H 1 8.906 0.02 . 1 . . . . 174 His H . 16959 1 827 . 1 1 174 174 HIS C C 13 172.214 0.2 . 1 . . . . 174 His C . 16959 1 828 . 1 1 174 174 HIS CA C 13 57.192 0.2 . 1 . . . . 174 His CA . 16959 1 829 . 1 1 174 174 HIS CB C 13 34.009 0.2 . 1 . . . . 174 His CB . 16959 1 830 . 1 1 174 174 HIS N N 15 119.989 0.2 . 1 . . . . 174 His N . 16959 1 831 . 1 1 175 175 LYS H H 1 8.530 0.02 . 1 . . . . 175 Lys H . 16959 1 832 . 1 1 175 175 LYS C C 13 172.619 0.2 . 1 . . . . 175 Lys C . 16959 1 833 . 1 1 175 175 LYS CA C 13 60.058 0.2 . 1 . . . . 175 Lys CA . 16959 1 834 . 1 1 175 175 LYS CB C 13 32.094 0.2 . 1 . . . . 175 Lys CB . 16959 1 835 . 1 1 175 175 LYS N N 15 122.104 0.2 . 1 . . . . 175 Lys N . 16959 1 836 . 1 1 176 176 ASN H H 1 7.998 0.02 . 1 . . . . 176 Asn H . 16959 1 837 . 1 1 176 176 ASN C C 13 175.138 0.2 . 1 . . . . 176 Asn C . 16959 1 838 . 1 1 176 176 ASN CA C 13 54.735 0.2 . 1 . . . . 176 Asn CA . 16959 1 839 . 1 1 176 176 ASN CB C 13 37.780 0.2 . 1 . . . . 176 Asn CB . 16959 1 840 . 1 1 176 176 ASN N N 15 117.844 0.2 . 1 . . . . 176 Asn N . 16959 1 841 . 1 1 177 177 CYS H H 1 7.633 0.02 . 1 . . . . 177 Cys H . 16959 1 842 . 1 1 177 177 CYS C C 13 175.801 0.2 . 1 . . . . 177 Cys C . 16959 1 843 . 1 1 177 177 CYS CA C 13 62.282 0.2 . 1 . . . . 177 Cys CA . 16959 1 844 . 1 1 177 177 CYS CB C 13 26.935 0.2 . 1 . . . . 177 Cys CB . 16959 1 845 . 1 1 177 177 CYS N N 15 116.830 0.2 . 1 . . . . 177 Cys N . 16959 1 846 . 1 1 178 178 GLY H H 1 7.851 0.02 . 1 . . . . 178 Gly H . 16959 1 847 . 1 1 178 178 GLY C C 13 176.430 0.2 . 1 . . . . 178 Gly C . 16959 1 848 . 1 1 178 178 GLY CA C 13 47.168 0.2 . 1 . . . . 178 Gly CA . 16959 1 849 . 1 1 178 178 GLY N N 15 108.619 0.2 . 1 . . . . 178 Gly N . 16959 1 850 . 1 1 179 179 GLN H H 1 8.923 0.02 . 1 . . . . 179 Gln H . 16959 1 851 . 1 1 179 179 GLN C C 13 177.072 0.2 . 1 . . . . 179 Gln C . 16959 1 852 . 1 1 179 179 GLN CA C 13 54.136 0.2 . 1 . . . . 179 Gln CA . 16959 1 853 . 1 1 179 179 GLN CB C 13 27.797 0.2 . 1 . . . . 179 Gln CB . 16959 1 854 . 1 1 179 179 GLN N N 15 124.816 0.2 . 1 . . . . 179 Gln N . 16959 1 855 . 1 1 180 180 MET H H 1 7.338 0.02 . 1 . . . . 180 Met H . 16959 1 856 . 1 1 180 180 MET C C 13 176.161 0.2 . 1 . . . . 180 Met C . 16959 1 857 . 1 1 180 180 MET CA C 13 57.260 0.2 . 1 . . . . 180 Met CA . 16959 1 858 . 1 1 180 180 MET CB C 13 35.183 0.2 . 1 . . . . 180 Met CB . 16959 1 859 . 1 1 180 180 MET N N 15 121.201 0.2 . 1 . . . . 180 Met N . 16959 1 860 . 1 1 181 181 SER H H 1 8.973 0.02 . 1 . . . . 181 Ser H . 16959 1 861 . 1 1 181 181 SER C C 13 178.614 0.2 . 1 . . . . 181 Ser C . 16959 1 862 . 1 1 181 181 SER CA C 13 57.939 0.2 . 1 . . . . 181 Ser CA . 16959 1 863 . 1 1 181 181 SER CB C 13 65.365 0.2 . 1 . . . . 181 Ser CB . 16959 1 864 . 1 1 181 181 SER N N 15 122.200 0.2 . 1 . . . . 181 Ser N . 16959 1 865 . 1 1 182 182 GLU H H 1 8.828 0.02 . 1 . . . . 182 Glu H . 16959 1 866 . 1 1 182 182 GLU C C 13 174.140 0.2 . 1 . . . . 182 Glu C . 16959 1 867 . 1 1 182 182 GLU CA C 13 60.063 0.2 . 1 . . . . 182 Glu CA . 16959 1 868 . 1 1 182 182 GLU CB C 13 29.708 0.2 . 1 . . . . 182 Glu CB . 16959 1 869 . 1 1 182 182 GLU N N 15 121.245 0.2 . 1 . . . . 182 Glu N . 16959 1 870 . 1 1 183 183 ILE H H 1 7.586 0.02 . 1 . . . . 183 Ile H . 16959 1 871 . 1 1 183 183 ILE C C 13 175.288 0.2 . 1 . . . . 183 Ile C . 16959 1 872 . 1 1 183 183 ILE CA C 13 63.915 0.2 . 1 . . . . 183 Ile CA . 16959 1 873 . 1 1 183 183 ILE CB C 13 37.530 0.2 . 1 . . . . 183 Ile CB . 16959 1 874 . 1 1 183 183 ILE N N 15 116.224 0.2 . 1 . . . . 183 Ile N . 16959 1 875 . 1 1 184 184 GLU H H 1 7.526 0.02 . 1 . . . . 184 Glu H . 16959 1 876 . 1 1 184 184 GLU C C 13 173.693 0.2 . 1 . . . . 184 Glu C . 16959 1 877 . 1 1 184 184 GLU CA C 13 59.140 0.2 . 1 . . . . 184 Glu CA . 16959 1 878 . 1 1 184 184 GLU CB C 13 28.881 0.2 . 1 . . . . 184 Glu CB . 16959 1 879 . 1 1 184 184 GLU N N 15 120.339 0.2 . 1 . . . . 184 Glu N . 16959 1 880 . 1 1 185 185 ALA H H 1 8.237 0.02 . 1 . . . . 185 Ala H . 16959 1 881 . 1 1 185 185 ALA C C 13 173.172 0.2 . 1 . . . . 185 Ala C . 16959 1 882 . 1 1 185 185 ALA CA C 13 55.453 0.2 . 1 . . . . 185 Ala CA . 16959 1 883 . 1 1 185 185 ALA CB C 13 18.448 0.2 . 1 . . . . 185 Ala CB . 16959 1 884 . 1 1 185 185 ALA N N 15 120.830 0.2 . 1 . . . . 185 Ala N . 16959 1 885 . 1 1 186 186 LYS H H 1 7.825 0.02 . 1 . . . . 186 Lys H . 16959 1 886 . 1 1 186 186 LYS C C 13 173.886 0.2 . 1 . . . . 186 Lys C . 16959 1 887 . 1 1 186 186 LYS CA C 13 60.717 0.2 . 1 . . . . 186 Lys CA . 16959 1 888 . 1 1 186 186 LYS CB C 13 33.429 0.2 . 1 . . . . 186 Lys CB . 16959 1 889 . 1 1 186 186 LYS N N 15 118.317 0.2 . 1 . . . . 186 Lys N . 16959 1 890 . 1 1 187 187 VAL H H 1 8.147 0.02 . 1 . . . . 187 Val H . 16959 1 891 . 1 1 187 187 VAL C C 13 173.790 0.2 . 1 . . . . 187 Val C . 16959 1 892 . 1 1 187 187 VAL CA C 13 67.076 0.2 . 1 . . . . 187 Val CA . 16959 1 893 . 1 1 187 187 VAL CB C 13 31.405 0.2 . 1 . . . . 187 Val CB . 16959 1 894 . 1 1 187 187 VAL N N 15 118.979 0.2 . 1 . . . . 187 Val N . 16959 1 895 . 1 1 188 188 ARG H H 1 8.113 0.02 . 1 . . . . 188 Arg H . 16959 1 896 . 1 1 188 188 ARG C C 13 173.588 0.2 . 1 . . . . 188 Arg C . 16959 1 897 . 1 1 188 188 ARG CA C 13 58.901 0.2 . 1 . . . . 188 Arg CA . 16959 1 898 . 1 1 188 188 ARG CB C 13 28.865 0.2 . 1 . . . . 188 Arg CB . 16959 1 899 . 1 1 188 188 ARG N N 15 117.343 0.2 . 1 . . . . 188 Arg N . 16959 1 900 . 1 1 189 189 TYR H H 1 8.208 0.02 . 1 . . . . 189 Tyr H . 16959 1 901 . 1 1 189 189 TYR C C 13 174.262 0.2 . 1 . . . . 189 Tyr C . 16959 1 902 . 1 1 189 189 TYR CA C 13 62.223 0.2 . 1 . . . . 189 Tyr CA . 16959 1 903 . 1 1 189 189 TYR CB C 13 39.711 0.2 . 1 . . . . 189 Tyr CB . 16959 1 904 . 1 1 189 189 TYR N N 15 122.147 0.2 . 1 . . . . 189 Tyr N . 16959 1 905 . 1 1 190 190 VAL H H 1 8.348 0.02 . 1 . . . . 190 Val H . 16959 1 906 . 1 1 190 190 VAL C C 13 173.221 0.2 . 1 . . . . 190 Val C . 16959 1 907 . 1 1 190 190 VAL CA C 13 67.387 0.2 . 1 . . . . 190 Val CA . 16959 1 908 . 1 1 190 190 VAL CB C 13 31.620 0.2 . 1 . . . . 190 Val CB . 16959 1 909 . 1 1 190 190 VAL N N 15 116.290 0.2 . 1 . . . . 190 Val N . 16959 1 910 . 1 1 191 191 LYS H H 1 8.372 0.02 . 1 . . . . 191 Lys H . 16959 1 911 . 1 1 191 191 LYS C C 13 172.522 0.2 . 1 . . . . 191 Lys C . 16959 1 912 . 1 1 191 191 LYS CA C 13 59.976 0.2 . 1 . . . . 191 Lys CA . 16959 1 913 . 1 1 191 191 LYS CB C 13 32.451 0.2 . 1 . . . . 191 Lys CB . 16959 1 914 . 1 1 191 191 LYS N N 15 117.625 0.2 . 1 . . . . 191 Lys N . 16959 1 915 . 1 1 192 192 LEU H H 1 7.980 0.02 . 1 . . . . 192 Leu H . 16959 1 916 . 1 1 192 192 LEU C C 13 174.256 0.2 . 1 . . . . 192 Leu C . 16959 1 917 . 1 1 192 192 LEU CA C 13 56.461 0.2 . 1 . . . . 192 Leu CA . 16959 1 918 . 1 1 192 192 LEU CB C 13 41.643 0.2 . 1 . . . . 192 Leu CB . 16959 1 919 . 1 1 192 192 LEU N N 15 120.830 0.2 . 1 . . . . 192 Leu N . 16959 1 920 . 1 1 193 193 ALA H H 1 7.843 0.02 . 1 . . . . 193 Ala H . 16959 1 921 . 1 1 193 193 ALA C C 13 175.855 0.2 . 1 . . . . 193 Ala C . 16959 1 922 . 1 1 193 193 ALA CA C 13 53.096 0.2 . 1 . . . . 193 Ala CA . 16959 1 923 . 1 1 193 193 ALA CB C 13 19.068 0.2 . 1 . . . . 193 Ala CB . 16959 1 924 . 1 1 193 193 ALA N N 15 120.552 0.2 . 1 . . . . 193 Ala N . 16959 1 925 . 1 1 194 194 ARG H H 1 7.230 0.02 . 1 . . . . 194 Arg H . 16959 1 926 . 1 1 194 194 ARG CA C 13 58.620 0.2 . 1 . . . . 194 Arg CA . 16959 1 927 . 1 1 194 194 ARG CB C 13 31.224 0.2 . 1 . . . . 194 Arg CB . 16959 1 928 . 1 1 194 194 ARG N N 15 123.439 0.2 . 1 . . . . 194 Arg N . 16959 1 stop_ save_