data_17065 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17065 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the Binary Tandem Ubiquitin Binding Domains of Signal Transducing Adapter Molecule 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-17 _Entry.Accession_date 2010-07-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hee-Chul Ahn . . . 17065 2 Jongsoo Lim . . . 17065 3 Yoon-Hun Hong . . . 17065 4 Bong-Jin Lee . . . 17065 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17065 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 523 17065 '15N chemical shifts' 177 17065 '1H chemical shifts' 177 17065 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 2 . . 2011-03-24 2010-07-19 update BMRB 'update entry citation' 17065 1 . . 2010-10-14 2010-07-19 original author 'original release' 17065 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7312 'VHS domain monomer of STAM1' 17065 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17065 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20927613 _Citation.Full_citation . _Citation.Title 'Backbone (1)H, (13)C, and (15)N assignments for the tandem ubiquitin binding domains of signal transducing adapter molecule 1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 51 _Citation.Page_last 54 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jongsoo Lim . . . 17065 1 2 Yoon-Hun Hong . . . 17065 1 3 Bong-Jin Lee . . . 17065 1 4 Hee-Chul Ahn . . . 17065 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17065 _Assembly.ID 1 _Assembly.Name 'STAM1 VHS-UIM' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 . _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 'STAM1 VHS-UIM' 1 $Tandem_ubiquitin_binding_domains_of_STAM1 A . yes native no no . . . 17065 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 1x5b . . 'solution NMR' . homolog . 17065 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tandem_ubiquitin_binding_domains_of_STAM1 _Entity.Sf_category entity _Entity.Sf_framecode Tandem_ubiquitin_binding_domains_of_STAM1 _Entity.Entry_ID 17065 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Tandem_ubiquitin_binding_domains_of_STAM1 _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 ; MPLFATNPFDQDVEKATSEM NTAEDWGLILDICDKVGQSR TGPKDCLRSIMRRVNHKDPH VAMQALTLLGACVSNCGKIF HLEVCSRDFASEVSNVLNKG HPKVCEKLKALMVEWTDEFK NDPQLSLISAMIKNLKEQGV TFPAIGSQAAEQAKASPALV AKDPGTVANKKEEEDLAKAI ELSLKEQRQQS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 191 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16763 . VHS . . . . . 72.25 138 100.00 100.00 1.17e-97 . . . . 17065 1 2 no BMRB 17059 . STAM1 . . . . . 93.19 178 100.00 100.00 1.36e-127 . . . . 17065 1 3 no PDB 3LDZ . "Crystal Structure Of Human Stam1 Vhs Domain In Complex With Ubiquitin" . . . . . 73.30 140 100.00 100.00 1.29e-99 . . . . 17065 1 4 no DBJ BAE26170 . "unnamed protein product [Mus musculus]" . . . . . 100.00 553 98.95 99.48 4.33e-134 . . . . 17065 1 5 no DBJ BAE28168 . "unnamed protein product [Mus musculus]" . . . . . 100.00 462 98.95 99.48 4.09e-134 . . . . 17065 1 6 no DBJ BAE34187 . "unnamed protein product [Mus musculus]" . . . . . 100.00 548 98.95 99.48 3.80e-134 . . . . 17065 1 7 no DBJ BAE37536 . "unnamed protein product [Mus musculus]" . . . . . 100.00 548 98.95 99.48 3.80e-134 . . . . 17065 1 8 no DBJ BAE40949 . "unnamed protein product [Mus musculus]" . . . . . 100.00 548 98.95 99.48 3.80e-134 . . . . 17065 1 9 no GB AAC50734 . "STAM [Homo sapiens]" . . . . . 100.00 540 100.00 100.00 3.40e-135 . . . . 17065 1 10 no GB AAC52840 . "STAM [Mus musculus]" . . . . . 100.00 548 98.95 99.48 3.80e-134 . . . . 17065 1 11 no GB AAH30586 . "STAM protein [Homo sapiens]" . . . . . 100.00 403 100.00 100.00 3.65e-135 . . . . 17065 1 12 no GB AAH44666 . "Signal transducing adaptor molecule (SH3 domain and ITAM motif) 1 [Mus musculus]" . . . . . 100.00 548 98.95 99.48 3.80e-134 . . . . 17065 1 13 no GB AAH55326 . "Signal transducing adaptor molecule (SH3 domain and ITAM motif) 1 [Mus musculus]" . . . . . 100.00 548 98.95 99.48 3.80e-134 . . . . 17065 1 14 no REF NP_001070310 . "signal transducing adapter molecule 1 [Bos taurus]" . . . . . 100.00 534 99.48 99.48 7.28e-135 . . . . 17065 1 15 no REF NP_001102591 . "signal transducing adapter molecule 1 [Rattus norvegicus]" . . . . . 100.00 547 98.43 99.48 2.49e-133 . . . . 17065 1 16 no REF NP_003464 . "signal transducing adapter molecule 1 [Homo sapiens]" . . . . . 100.00 540 100.00 100.00 3.40e-135 . . . . 17065 1 17 no REF NP_035614 . "signal transducing adapter molecule 1 [Mus musculus]" . . . . . 100.00 548 98.95 99.48 3.80e-134 . . . . 17065 1 18 no REF XP_001094352 . "PREDICTED: signal transducing adapter molecule 1 [Macaca mulatta]" . . . . . 73.82 490 99.29 99.29 4.79e-93 . . . . 17065 1 19 no SP P70297 . "RecName: Full=Signal transducing adapter molecule 1; Short=STAM-1" . . . . . 100.00 548 98.95 99.48 3.80e-134 . . . . 17065 1 20 no SP Q92783 . "RecName: Full=Signal transducing adapter molecule 1; Short=STAM-1" . . . . . 100.00 540 100.00 100.00 3.40e-135 . . . . 17065 1 21 no TPG DAA23567 . "TPA: signal transducing adaptor molecule 1 [Bos taurus]" . . . . . 100.00 534 99.48 99.48 7.28e-135 . . . . 17065 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17065 1 2 . PRO . 17065 1 3 . LEU . 17065 1 4 . PHE . 17065 1 5 . ALA . 17065 1 6 . THR . 17065 1 7 . ASN . 17065 1 8 . PRO . 17065 1 9 . PHE . 17065 1 10 . ASP . 17065 1 11 . GLN . 17065 1 12 . ASP . 17065 1 13 . VAL . 17065 1 14 . GLU . 17065 1 15 . LYS . 17065 1 16 . ALA . 17065 1 17 . THR . 17065 1 18 . SER . 17065 1 19 . GLU . 17065 1 20 . MET . 17065 1 21 . ASN . 17065 1 22 . THR . 17065 1 23 . ALA . 17065 1 24 . GLU . 17065 1 25 . ASP . 17065 1 26 . TRP . 17065 1 27 . GLY . 17065 1 28 . LEU . 17065 1 29 . ILE . 17065 1 30 . LEU . 17065 1 31 . ASP . 17065 1 32 . ILE . 17065 1 33 . CYS . 17065 1 34 . ASP . 17065 1 35 . LYS . 17065 1 36 . VAL . 17065 1 37 . GLY . 17065 1 38 . GLN . 17065 1 39 . SER . 17065 1 40 . ARG . 17065 1 41 . THR . 17065 1 42 . GLY . 17065 1 43 . PRO . 17065 1 44 . LYS . 17065 1 45 . ASP . 17065 1 46 . CYS . 17065 1 47 . LEU . 17065 1 48 . ARG . 17065 1 49 . SER . 17065 1 50 . ILE . 17065 1 51 . MET . 17065 1 52 . ARG . 17065 1 53 . ARG . 17065 1 54 . VAL . 17065 1 55 . ASN . 17065 1 56 . HIS . 17065 1 57 . LYS . 17065 1 58 . ASP . 17065 1 59 . PRO . 17065 1 60 . HIS . 17065 1 61 . VAL . 17065 1 62 . ALA . 17065 1 63 . MET . 17065 1 64 . GLN . 17065 1 65 . ALA . 17065 1 66 . LEU . 17065 1 67 . THR . 17065 1 68 . LEU . 17065 1 69 . LEU . 17065 1 70 . GLY . 17065 1 71 . ALA . 17065 1 72 . CYS . 17065 1 73 . VAL . 17065 1 74 . SER . 17065 1 75 . ASN . 17065 1 76 . CYS . 17065 1 77 . GLY . 17065 1 78 . LYS . 17065 1 79 . ILE . 17065 1 80 . PHE . 17065 1 81 . HIS . 17065 1 82 . LEU . 17065 1 83 . GLU . 17065 1 84 . VAL . 17065 1 85 . CYS . 17065 1 86 . SER . 17065 1 87 . ARG . 17065 1 88 . ASP . 17065 1 89 . PHE . 17065 1 90 . ALA . 17065 1 91 . SER . 17065 1 92 . GLU . 17065 1 93 . VAL . 17065 1 94 . SER . 17065 1 95 . ASN . 17065 1 96 . VAL . 17065 1 97 . LEU . 17065 1 98 . ASN . 17065 1 99 . LYS . 17065 1 100 . GLY . 17065 1 101 . HIS . 17065 1 102 . PRO . 17065 1 103 . LYS . 17065 1 104 . VAL . 17065 1 105 . CYS . 17065 1 106 . GLU . 17065 1 107 . LYS . 17065 1 108 . LEU . 17065 1 109 . LYS . 17065 1 110 . ALA . 17065 1 111 . LEU . 17065 1 112 . MET . 17065 1 113 . VAL . 17065 1 114 . GLU . 17065 1 115 . TRP . 17065 1 116 . THR . 17065 1 117 . ASP . 17065 1 118 . GLU . 17065 1 119 . PHE . 17065 1 120 . LYS . 17065 1 121 . ASN . 17065 1 122 . ASP . 17065 1 123 . PRO . 17065 1 124 . GLN . 17065 1 125 . LEU . 17065 1 126 . SER . 17065 1 127 . LEU . 17065 1 128 . ILE . 17065 1 129 . SER . 17065 1 130 . ALA . 17065 1 131 . MET . 17065 1 132 . ILE . 17065 1 133 . LYS . 17065 1 134 . ASN . 17065 1 135 . LEU . 17065 1 136 . LYS . 17065 1 137 . GLU . 17065 1 138 . GLN . 17065 1 139 . GLY . 17065 1 140 . VAL . 17065 1 141 . THR . 17065 1 142 . PHE . 17065 1 143 . PRO . 17065 1 144 . ALA . 17065 1 145 . ILE . 17065 1 146 . GLY . 17065 1 147 . SER . 17065 1 148 . GLN . 17065 1 149 . ALA . 17065 1 150 . ALA . 17065 1 151 . GLU . 17065 1 152 . GLN . 17065 1 153 . ALA . 17065 1 154 . LYS . 17065 1 155 . ALA . 17065 1 156 . SER . 17065 1 157 . PRO . 17065 1 158 . ALA . 17065 1 159 . LEU . 17065 1 160 . VAL . 17065 1 161 . ALA . 17065 1 162 . LYS . 17065 1 163 . ASP . 17065 1 164 . PRO . 17065 1 165 . GLY . 17065 1 166 . THR . 17065 1 167 . VAL . 17065 1 168 . ALA . 17065 1 169 . ASN . 17065 1 170 . LYS . 17065 1 171 . LYS . 17065 1 172 . GLU . 17065 1 173 . GLU . 17065 1 174 . GLU . 17065 1 175 . ASP . 17065 1 176 . LEU . 17065 1 177 . ALA . 17065 1 178 . LYS . 17065 1 179 . ALA . 17065 1 180 . ILE . 17065 1 181 . GLU . 17065 1 182 . LEU . 17065 1 183 . SER . 17065 1 184 . LEU . 17065 1 185 . LYS . 17065 1 186 . GLU . 17065 1 187 . GLN . 17065 1 188 . ARG . 17065 1 189 . GLN . 17065 1 190 . GLN . 17065 1 191 . SER . 17065 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17065 1 . PRO 2 2 17065 1 . LEU 3 3 17065 1 . PHE 4 4 17065 1 . ALA 5 5 17065 1 . THR 6 6 17065 1 . ASN 7 7 17065 1 . PRO 8 8 17065 1 . PHE 9 9 17065 1 . ASP 10 10 17065 1 . GLN 11 11 17065 1 . ASP 12 12 17065 1 . VAL 13 13 17065 1 . GLU 14 14 17065 1 . LYS 15 15 17065 1 . ALA 16 16 17065 1 . THR 17 17 17065 1 . SER 18 18 17065 1 . GLU 19 19 17065 1 . MET 20 20 17065 1 . ASN 21 21 17065 1 . THR 22 22 17065 1 . ALA 23 23 17065 1 . GLU 24 24 17065 1 . ASP 25 25 17065 1 . TRP 26 26 17065 1 . GLY 27 27 17065 1 . LEU 28 28 17065 1 . ILE 29 29 17065 1 . LEU 30 30 17065 1 . ASP 31 31 17065 1 . ILE 32 32 17065 1 . CYS 33 33 17065 1 . ASP 34 34 17065 1 . LYS 35 35 17065 1 . VAL 36 36 17065 1 . GLY 37 37 17065 1 . GLN 38 38 17065 1 . SER 39 39 17065 1 . ARG 40 40 17065 1 . THR 41 41 17065 1 . GLY 42 42 17065 1 . PRO 43 43 17065 1 . LYS 44 44 17065 1 . ASP 45 45 17065 1 . CYS 46 46 17065 1 . LEU 47 47 17065 1 . ARG 48 48 17065 1 . SER 49 49 17065 1 . ILE 50 50 17065 1 . MET 51 51 17065 1 . ARG 52 52 17065 1 . ARG 53 53 17065 1 . VAL 54 54 17065 1 . ASN 55 55 17065 1 . HIS 56 56 17065 1 . LYS 57 57 17065 1 . ASP 58 58 17065 1 . PRO 59 59 17065 1 . HIS 60 60 17065 1 . VAL 61 61 17065 1 . ALA 62 62 17065 1 . MET 63 63 17065 1 . GLN 64 64 17065 1 . ALA 65 65 17065 1 . LEU 66 66 17065 1 . THR 67 67 17065 1 . LEU 68 68 17065 1 . LEU 69 69 17065 1 . GLY 70 70 17065 1 . ALA 71 71 17065 1 . CYS 72 72 17065 1 . VAL 73 73 17065 1 . SER 74 74 17065 1 . ASN 75 75 17065 1 . CYS 76 76 17065 1 . GLY 77 77 17065 1 . LYS 78 78 17065 1 . ILE 79 79 17065 1 . PHE 80 80 17065 1 . HIS 81 81 17065 1 . LEU 82 82 17065 1 . GLU 83 83 17065 1 . VAL 84 84 17065 1 . CYS 85 85 17065 1 . SER 86 86 17065 1 . ARG 87 87 17065 1 . ASP 88 88 17065 1 . PHE 89 89 17065 1 . ALA 90 90 17065 1 . SER 91 91 17065 1 . GLU 92 92 17065 1 . VAL 93 93 17065 1 . SER 94 94 17065 1 . ASN 95 95 17065 1 . VAL 96 96 17065 1 . LEU 97 97 17065 1 . ASN 98 98 17065 1 . LYS 99 99 17065 1 . GLY 100 100 17065 1 . HIS 101 101 17065 1 . PRO 102 102 17065 1 . LYS 103 103 17065 1 . VAL 104 104 17065 1 . CYS 105 105 17065 1 . GLU 106 106 17065 1 . LYS 107 107 17065 1 . LEU 108 108 17065 1 . LYS 109 109 17065 1 . ALA 110 110 17065 1 . LEU 111 111 17065 1 . MET 112 112 17065 1 . VAL 113 113 17065 1 . GLU 114 114 17065 1 . TRP 115 115 17065 1 . THR 116 116 17065 1 . ASP 117 117 17065 1 . GLU 118 118 17065 1 . PHE 119 119 17065 1 . LYS 120 120 17065 1 . ASN 121 121 17065 1 . ASP 122 122 17065 1 . PRO 123 123 17065 1 . GLN 124 124 17065 1 . LEU 125 125 17065 1 . SER 126 126 17065 1 . LEU 127 127 17065 1 . ILE 128 128 17065 1 . SER 129 129 17065 1 . ALA 130 130 17065 1 . MET 131 131 17065 1 . ILE 132 132 17065 1 . LYS 133 133 17065 1 . ASN 134 134 17065 1 . LEU 135 135 17065 1 . LYS 136 136 17065 1 . GLU 137 137 17065 1 . GLN 138 138 17065 1 . GLY 139 139 17065 1 . VAL 140 140 17065 1 . THR 141 141 17065 1 . PHE 142 142 17065 1 . PRO 143 143 17065 1 . ALA 144 144 17065 1 . ILE 145 145 17065 1 . GLY 146 146 17065 1 . SER 147 147 17065 1 . GLN 148 148 17065 1 . ALA 149 149 17065 1 . ALA 150 150 17065 1 . GLU 151 151 17065 1 . GLN 152 152 17065 1 . ALA 153 153 17065 1 . LYS 154 154 17065 1 . ALA 155 155 17065 1 . SER 156 156 17065 1 . PRO 157 157 17065 1 . ALA 158 158 17065 1 . LEU 159 159 17065 1 . VAL 160 160 17065 1 . ALA 161 161 17065 1 . LYS 162 162 17065 1 . ASP 163 163 17065 1 . PRO 164 164 17065 1 . GLY 165 165 17065 1 . THR 166 166 17065 1 . VAL 167 167 17065 1 . ALA 168 168 17065 1 . ASN 169 169 17065 1 . LYS 170 170 17065 1 . LYS 171 171 17065 1 . GLU 172 172 17065 1 . GLU 173 173 17065 1 . GLU 174 174 17065 1 . ASP 175 175 17065 1 . LEU 176 176 17065 1 . ALA 177 177 17065 1 . LYS 178 178 17065 1 . ALA 179 179 17065 1 . ILE 180 180 17065 1 . GLU 181 181 17065 1 . LEU 182 182 17065 1 . SER 183 183 17065 1 . LEU 184 184 17065 1 . LYS 185 185 17065 1 . GLU 186 186 17065 1 . GLN 187 187 17065 1 . ARG 188 188 17065 1 . GLN 189 189 17065 1 . GLN 190 190 17065 1 . SER 191 191 17065 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 17065 _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 $Tandem_ubiquitin_binding_domains_of_STAM1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17065 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 17065 _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 $Tandem_ubiquitin_binding_domains_of_STAM1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 17065 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17065 _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 'Tandem ubiquitin binding domains of STAM1' '[U-100% 13C; U-100% 15N]' . . 1 $Tandem_ubiquitin_binding_domains_of_STAM1 . . 1 . . mM . . . . 17065 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17065 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17065 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17065 1 5 NaCl 'natural abundance' . . . . . . .1 . . M . . . . 17065 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 17065 _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' 0.1 . M 17065 1 pH 6.8 . pH 17065 1 pressure 1 . atm 17065 1 temperature 298 . K 17065 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17065 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17065 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17065 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17065 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17065 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17065 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 17065 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 17065 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 900 . . . 17065 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 17065 _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 . . . . . . . . . . . . . . . . 17065 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17065 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17065 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17065 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 17065 _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 . . . . . . . . . 17065 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17065 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17065 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 17065 _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 . _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' . . . 17065 1 2 '3D CBCA(CO)NH' . . . 17065 1 3 '3D HNCACB' . . . 17065 1 4 '3D HNCO' . . . 17065 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 PRO CA C 13 62.884 0.2 . 1 . . . . 2 P CA . 17065 1 2 . 1 1 3 3 LEU H H 1 8.34 0.02 . 1 . . . . 3 L HN . 17065 1 3 . 1 1 3 3 LEU CA C 13 55.349 0.2 . 1 . . . . 3 L CA . 17065 1 4 . 1 1 3 3 LEU CB C 13 42.558 0.2 . 1 . . . . 3 L CB . 17065 1 5 . 1 1 3 3 LEU N N 15 122.344 0.2 . 1 . . . . 3 L N . 17065 1 6 . 1 1 4 4 PHE H H 1 8.094 0.02 . 1 . . . . 4 F HN . 17065 1 7 . 1 1 4 4 PHE CA C 13 57.108 0.2 . 1 . . . . 4 F CA . 17065 1 8 . 1 1 4 4 PHE CB C 13 39.798 0.2 . 1 . . . . 4 F CB . 17065 1 9 . 1 1 4 4 PHE N N 15 120.273 0.2 . 1 . . . . 4 F N . 17065 1 10 . 1 1 5 5 ALA H H 1 8.239 0.02 . 1 . . . . 5 A HN . 17065 1 11 . 1 1 5 5 ALA CA C 13 52.16 0.2 . 1 . . . . 5 A CA . 17065 1 12 . 1 1 5 5 ALA CB C 13 19.593 0.2 . 1 . . . . 5 A CB . 17065 1 13 . 1 1 5 5 ALA N N 15 125.526 0.2 . 1 . . . . 5 A N . 17065 1 14 . 1 1 6 6 THR H H 1 8.159 0.02 . 1 . . . . 6 T HN . 17065 1 15 . 1 1 6 6 THR C C 13 173.853 0.2 . 1 . . . . 6 T C . 17065 1 16 . 1 1 6 6 THR CA C 13 62.066 0.2 . 1 . . . . 6 T CA . 17065 1 17 . 1 1 6 6 THR CB C 13 70.053 0.2 . 1 . . . . 6 T CB . 17065 1 18 . 1 1 6 6 THR N N 15 114.922 0.2 . 1 . . . . 6 T N . 17065 1 19 . 1 1 7 7 ASN H H 1 8.655 0.02 . 1 . . . . 7 N HN . 17065 1 20 . 1 1 7 7 ASN CA C 13 50.713 0.2 . 1 . . . . 7 N CA . 17065 1 21 . 1 1 7 7 ASN CB C 13 39.453 0.2 . 1 . . . . 7 N CB . 17065 1 22 . 1 1 7 7 ASN N N 15 124.763 0.2 . 1 . . . . 7 N N . 17065 1 23 . 1 1 8 8 PRO C C 13 177.292 0.2 . 1 . . . . 8 P C . 17065 1 24 . 1 1 9 9 PHE H H 1 9.017 0.02 . 1 . . . . 9 F HN . 17065 1 25 . 1 1 9 9 PHE C C 13 175.83 0.2 . 1 . . . . 9 F C . 17065 1 26 . 1 1 9 9 PHE CA C 13 60.622 0.2 . 1 . . . . 9 F CA . 17065 1 27 . 1 1 9 9 PHE CB C 13 39.573 0.2 . 1 . . . . 9 F CB . 17065 1 28 . 1 1 9 9 PHE N N 15 117.014 0.2 . 1 . . . . 9 F N . 17065 1 29 . 1 1 10 10 ASP H H 1 7.42 0.02 . 1 . . . . 10 D HN . 17065 1 30 . 1 1 10 10 ASP C C 13 178.153 0.2 . 1 . . . . 10 D C . 17065 1 31 . 1 1 10 10 ASP CA C 13 58.859 0.2 . 1 . . . . 10 D CA . 17065 1 32 . 1 1 10 10 ASP CB C 13 39.851 0.2 . 1 . . . . 10 D CB . 17065 1 33 . 1 1 10 10 ASP N N 15 119.404 0.2 . 1 . . . . 10 D N . 17065 1 34 . 1 1 11 11 GLN H H 1 8.433 0.02 . 1 . . . . 11 Q HN . 17065 1 35 . 1 1 11 11 GLN C C 13 178.713 0.2 . 1 . . . . 11 Q C . 17065 1 36 . 1 1 11 11 GLN CA C 13 59.949 0.2 . 1 . . . . 11 Q CA . 17065 1 37 . 1 1 11 11 GLN CB C 13 28.18 0.2 . 1 . . . . 11 Q CB . 17065 1 38 . 1 1 11 11 GLN N N 15 118.845 0.2 . 1 . . . . 11 Q N . 17065 1 39 . 1 1 12 12 ASP H H 1 8.485 0.02 . 1 . . . . 12 D HN . 17065 1 40 . 1 1 12 12 ASP C C 13 178.475 0.2 . 1 . . . . 12 D C . 17065 1 41 . 1 1 12 12 ASP CA C 13 57.482 0.2 . 1 . . . . 12 D CA . 17065 1 42 . 1 1 12 12 ASP CB C 13 40.665 0.2 . 1 . . . . 12 D CB . 17065 1 43 . 1 1 12 12 ASP N N 15 121.371 0.2 . 1 . . . . 12 D N . 17065 1 44 . 1 1 13 13 VAL H H 1 8.763 0.02 . 1 . . . . 13 V HN . 17065 1 45 . 1 1 13 13 VAL C C 13 179.608 0.2 . 1 . . . . 13 V C . 17065 1 46 . 1 1 13 13 VAL CA C 13 67.048 0.2 . 1 . . . . 13 V CA . 17065 1 47 . 1 1 13 13 VAL CB C 13 31.651 0.2 . 1 . . . . 13 V CB . 17065 1 48 . 1 1 13 13 VAL N N 15 120.293 0.2 . 1 . . . . 13 V N . 17065 1 49 . 1 1 14 14 GLU H H 1 8.702 0.02 . 1 . . . . 14 E HN . 17065 1 50 . 1 1 14 14 GLU C C 13 178.028 0.2 . 1 . . . . 14 E C . 17065 1 51 . 1 1 14 14 GLU CA C 13 60.854 0.2 . 1 . . . . 14 E CA . 17065 1 52 . 1 1 14 14 GLU CB C 13 28.506 0.2 . 1 . . . . 14 E CB . 17065 1 53 . 1 1 14 14 GLU N N 15 123.174 0.2 . 1 . . . . 14 E N . 17065 1 54 . 1 1 15 15 LYS H H 1 7.571 0.02 . 1 . . . . 15 K HN . 17065 1 55 . 1 1 15 15 LYS C C 13 179.82 0.2 . 1 . . . . 15 K C . 17065 1 56 . 1 1 15 15 LYS CA C 13 59.841 0.2 . 1 . . . . 15 K CA . 17065 1 57 . 1 1 15 15 LYS CB C 13 32.407 0.2 . 1 . . . . 15 K CB . 17065 1 58 . 1 1 15 15 LYS N N 15 118.987 0.2 . 1 . . . . 15 K N . 17065 1 59 . 1 1 16 16 ALA H H 1 8.351 0.02 . 1 . . . . 16 A HN . 17065 1 60 . 1 1 16 16 ALA C C 13 176.494 0.2 . 1 . . . . 16 A C . 17065 1 61 . 1 1 16 16 ALA CA C 13 53.728 0.2 . 1 . . . . 16 A CA . 17065 1 62 . 1 1 16 16 ALA CB C 13 18.877 0.2 . 1 . . . . 16 A CB . 17065 1 63 . 1 1 16 16 ALA N N 15 119.765 0.2 . 1 . . . . 16 A N . 17065 1 64 . 1 1 17 17 THR H H 1 7.242 0.02 . 1 . . . . 17 T HN . 17065 1 65 . 1 1 17 17 THR C C 13 172.632 0.2 . 1 . . . . 17 T C . 17065 1 66 . 1 1 17 17 THR CA C 13 58.953 0.2 . 1 . . . . 17 T CA . 17065 1 67 . 1 1 17 17 THR CB C 13 69.653 0.2 . 1 . . . . 17 T CB . 17065 1 68 . 1 1 17 17 THR N N 15 104.371 0.2 . 1 . . . . 17 T N . 17065 1 69 . 1 1 18 18 SER H H 1 6.42 0.02 . 1 . . . . 18 S HN . 17065 1 70 . 1 1 18 18 SER C C 13 177.292 0.2 . 1 . . . . 18 S C . 17065 1 71 . 1 1 18 18 SER CA C 13 58.966 0.2 . 1 . . . . 18 S CA . 17065 1 72 . 1 1 18 18 SER CB C 13 63.683 0.2 . 1 . . . . 18 S CB . 17065 1 73 . 1 1 18 18 SER N N 15 115.64 0.2 . 1 . . . . 18 S N . 17065 1 74 . 1 1 19 19 GLU H H 1 10.015 0.02 . 1 . . . . 19 E HN . 17065 1 75 . 1 1 19 19 GLU C C 13 176.313 0.2 . 1 . . . . 19 E C . 17065 1 76 . 1 1 19 19 GLU CA C 13 58.985 0.2 . 1 . . . . 19 E CA . 17065 1 77 . 1 1 19 19 GLU CB C 13 28.786 0.2 . 1 . . . . 19 E CB . 17065 1 78 . 1 1 19 19 GLU N N 15 129.897 0.2 . 1 . . . . 19 E N . 17065 1 79 . 1 1 20 20 MET H H 1 8.094 0.02 . 1 . . . . 20 M HN . 17065 1 80 . 1 1 20 20 MET C C 13 177.203 0.2 . 1 . . . . 20 M C . 17065 1 81 . 1 1 20 20 MET CA C 13 54.919 0.2 . 1 . . . . 20 M CA . 17065 1 82 . 1 1 20 20 MET CB C 13 32.173 0.2 . 1 . . . . 20 M CB . 17065 1 83 . 1 1 20 20 MET N N 15 115.485 0.2 . 1 . . . . 20 M N . 17065 1 84 . 1 1 21 21 ASN H H 1 7.472 0.02 . 1 . . . . 21 N HN . 17065 1 85 . 1 1 21 21 ASN C C 13 177.041 0.2 . 1 . . . . 21 N C . 17065 1 86 . 1 1 21 21 ASN CA C 13 53.674 0.2 . 1 . . . . 21 N CA . 17065 1 87 . 1 1 21 21 ASN CB C 13 37.931 0.2 . 1 . . . . 21 N CB . 17065 1 88 . 1 1 21 21 ASN N N 15 118.634 0.2 . 1 . . . . 21 N N . 17065 1 89 . 1 1 22 22 THR H H 1 9.027 0.02 . 1 . . . . 22 T HN . 17065 1 90 . 1 1 22 22 THR C C 13 173.842 0.2 . 1 . . . . 22 T C . 17065 1 91 . 1 1 22 22 THR CA C 13 62.072 0.2 . 1 . . . . 22 T CA . 17065 1 92 . 1 1 22 22 THR CB C 13 69.292 0.2 . 1 . . . . 22 T CB . 17065 1 93 . 1 1 22 22 THR N N 15 113.714 0.2 . 1 . . . . 22 T N . 17065 1 94 . 1 1 23 23 ALA H H 1 7.733 0.02 . 1 . . . . 23 A HN . 17065 1 95 . 1 1 23 23 ALA C C 13 176.277 0.2 . 1 . . . . 23 A C . 17065 1 96 . 1 1 23 23 ALA CA C 13 51.195 0.2 . 1 . . . . 23 A CA . 17065 1 97 . 1 1 23 23 ALA CB C 13 21.742 0.2 . 1 . . . . 23 A CB . 17065 1 98 . 1 1 23 23 ALA N N 15 123.862 0.2 . 1 . . . . 23 A N . 17065 1 99 . 1 1 24 24 GLU H H 1 8.761 0.02 . 1 . . . . 24 E HN . 17065 1 100 . 1 1 24 24 GLU C C 13 175.892 0.2 . 1 . . . . 24 E C . 17065 1 101 . 1 1 24 24 GLU CA C 13 57.182 0.2 . 1 . . . . 24 E CA . 17065 1 102 . 1 1 24 24 GLU CB C 13 29.872 0.2 . 1 . . . . 24 E CB . 17065 1 103 . 1 1 24 24 GLU N N 15 120.156 0.2 . 1 . . . . 24 E N . 17065 1 104 . 1 1 25 25 ASP H H 1 8.792 0.02 . 1 . . . . 25 D HN . 17065 1 105 . 1 1 25 25 ASP C C 13 176.028 0.2 . 1 . . . . 25 D C . 17065 1 106 . 1 1 25 25 ASP CA C 13 51.955 0.2 . 1 . . . . 25 D CA . 17065 1 107 . 1 1 25 25 ASP CB C 13 40.371 0.2 . 1 . . . . 25 D CB . 17065 1 108 . 1 1 25 25 ASP N N 15 124.017 0.2 . 1 . . . . 25 D N . 17065 1 109 . 1 1 26 26 TRP H H 1 8.557 0.02 . 1 . . . . 26 W HN . 17065 1 110 . 1 1 26 26 TRP C C 13 178.056 0.2 . 1 . . . . 26 W C . 17065 1 111 . 1 1 26 26 TRP CA C 13 61.141 0.2 . 1 . . . . 26 W CA . 17065 1 112 . 1 1 26 26 TRP CB C 13 28.531 0.2 . 1 . . . . 26 W CB . 17065 1 113 . 1 1 26 26 TRP N N 15 124.54 0.2 . 1 . . . . 26 W N . 17065 1 114 . 1 1 27 27 GLY H H 1 8.466 0.02 . 1 . . . . 27 G HN . 17065 1 115 . 1 1 27 27 GLY C C 13 176.185 0.2 . 1 . . . . 27 G C . 17065 1 116 . 1 1 27 27 GLY CA C 13 47.351 0.2 . 1 . . . . 27 G CA . 17065 1 117 . 1 1 27 27 GLY N N 15 108.087 0.2 . 1 . . . . 27 G N . 17065 1 118 . 1 1 28 28 LEU H H 1 7.379 0.02 . 1 . . . . 28 L HN . 17065 1 119 . 1 1 28 28 LEU C C 13 178.717 0.2 . 1 . . . . 28 L C . 17065 1 120 . 1 1 28 28 LEU CA C 13 57.121 0.2 . 1 . . . . 28 L CA . 17065 1 121 . 1 1 28 28 LEU CB C 13 41.632 0.2 . 1 . . . . 28 L CB . 17065 1 122 . 1 1 28 28 LEU N N 15 123.503 0.2 . 1 . . . . 28 L N . 17065 1 123 . 1 1 29 29 ILE H H 1 7.972 0.02 . 1 . . . . 29 I HN . 17065 1 124 . 1 1 29 29 ILE C C 13 177.895 0.2 . 1 . . . . 29 I C . 17065 1 125 . 1 1 29 29 ILE CA C 13 66.447 0.2 . 1 . . . . 29 I CA . 17065 1 126 . 1 1 29 29 ILE CB C 13 37.783 0.2 . 1 . . . . 29 I CB . 17065 1 127 . 1 1 29 29 ILE N N 15 118.859 0.2 . 1 . . . . 29 I N . 17065 1 128 . 1 1 30 30 LEU H H 1 8.34 0.02 . 1 . . . . 30 L HN . 17065 1 129 . 1 1 30 30 LEU C C 13 179.577 0.2 . 1 . . . . 30 L C . 17065 1 130 . 1 1 30 30 LEU CA C 13 57.983 0.2 . 1 . . . . 30 L CA . 17065 1 131 . 1 1 30 30 LEU CB C 13 40.356 0.2 . 1 . . . . 30 L CB . 17065 1 132 . 1 1 30 30 LEU N N 15 118.413 0.2 . 1 . . . . 30 L N . 17065 1 133 . 1 1 31 31 ASP H H 1 7.837 0.02 . 1 . . . . 31 D HN . 17065 1 134 . 1 1 31 31 ASP C C 13 179.14 0.2 . 1 . . . . 31 D C . 17065 1 135 . 1 1 31 31 ASP CA C 13 57.704 0.2 . 1 . . . . 31 D CA . 17065 1 136 . 1 1 31 31 ASP CB C 13 40.841 0.2 . 1 . . . . 31 D CB . 17065 1 137 . 1 1 31 31 ASP N N 15 122.073 0.2 . 1 . . . . 31 D N . 17065 1 138 . 1 1 32 32 ILE H H 1 8.229 0.02 . 1 . . . . 32 I HN . 17065 1 139 . 1 1 32 32 ILE C C 13 177.763 0.2 . 1 . . . . 32 I C . 17065 1 140 . 1 1 32 32 ILE CA C 13 66.55 0.2 . 1 . . . . 32 I CA . 17065 1 141 . 1 1 32 32 ILE CB C 13 37.519 0.2 . 1 . . . . 32 I CB . 17065 1 142 . 1 1 32 32 ILE N N 15 121.401 0.2 . 1 . . . . 32 I N . 17065 1 143 . 1 1 33 33 CYS H H 1 7.914 0.02 . 1 . . . . 33 C HN . 17065 1 144 . 1 1 33 33 CYS CA C 13 64.06 0.2 . 1 . . . . 33 C CA . 17065 1 145 . 1 1 33 33 CYS CB C 13 26.795 0.2 . 1 . . . . 33 C CB . 17065 1 146 . 1 1 33 33 CYS N N 15 115.831 0.2 . 1 . . . . 33 C N . 17065 1 147 . 1 1 34 34 ASP H H 1 8.091 0.02 . 1 . . . . 34 D HN . 17065 1 148 . 1 1 34 34 ASP C C 13 178.73 0.2 . 1 . . . . 34 D C . 17065 1 149 . 1 1 34 34 ASP CA C 13 57.368 0.2 . 1 . . . . 34 D CA . 17065 1 150 . 1 1 34 34 ASP CB C 13 41.155 0.2 . 1 . . . . 34 D CB . 17065 1 151 . 1 1 34 34 ASP N N 15 120.073 0.2 . 1 . . . . 34 D N . 17065 1 152 . 1 1 35 35 LYS H H 1 8.142 0.02 . 1 . . . . 35 K HN . 17065 1 153 . 1 1 35 35 LYS C C 13 180.146 0.2 . 1 . . . . 35 K C . 17065 1 154 . 1 1 35 35 LYS CA C 13 59.727 0.2 . 1 . . . . 35 K CA . 17065 1 155 . 1 1 35 35 LYS N N 15 120.636 0.2 . 1 . . . . 35 K N . 17065 1 156 . 1 1 36 36 VAL H H 1 8.082 0.02 . 1 . . . . 36 V HN . 17065 1 157 . 1 1 36 36 VAL C C 13 176.158 0.2 . 1 . . . . 36 V C . 17065 1 158 . 1 1 36 36 VAL CA C 13 67.799 0.2 . 1 . . . . 36 V CA . 17065 1 159 . 1 1 36 36 VAL CB C 13 31.94 0.2 . 1 . . . . 36 V CB . 17065 1 160 . 1 1 36 36 VAL N N 15 121.98 0.2 . 1 . . . . 36 V N . 17065 1 161 . 1 1 37 37 GLY H H 1 7.381 0.02 . 1 . . . . 37 G HN . 17065 1 162 . 1 1 37 37 GLY C C 13 175.53 0.2 . 1 . . . . 37 G C . 17065 1 163 . 1 1 37 37 GLY CA C 13 45.611 0.2 . 1 . . . . 37 G CA . 17065 1 164 . 1 1 37 37 GLY N N 15 100.493 0.2 . 1 . . . . 37 G N . 17065 1 165 . 1 1 38 38 GLN H H 1 7.556 0.02 . 1 . . . . 38 Q HN . 17065 1 166 . 1 1 38 38 GLN C C 13 175.206 0.2 . 1 . . . . 38 Q C . 17065 1 167 . 1 1 38 38 GLN CA C 13 56.104 0.2 . 1 . . . . 38 Q CA . 17065 1 168 . 1 1 38 38 GLN CB C 13 29.033 0.2 . 1 . . . . 38 Q CB . 17065 1 169 . 1 1 38 38 GLN N N 15 116.313 0.2 . 1 . . . . 38 Q N . 17065 1 170 . 1 1 39 39 SER H H 1 7.395 0.02 . 1 . . . . 39 S HN . 17065 1 171 . 1 1 39 39 SER CA C 13 56.387 0.2 . 1 . . . . 39 S CA . 17065 1 172 . 1 1 39 39 SER CB C 13 65.429 0.2 . 1 . . . . 39 S CB . 17065 1 173 . 1 1 39 39 SER N N 15 110.819 0.2 . 1 . . . . 39 S N . 17065 1 174 . 1 1 40 40 ARG C C 13 178.069 0.2 . 1 . . . . 40 R C . 17065 1 175 . 1 1 40 40 ARG CA C 13 58.972 0.2 . 1 . . . . 40 R CA . 17065 1 176 . 1 1 40 40 ARG CB C 13 30.319 0.2 . 1 . . . . 40 R CB . 17065 1 177 . 1 1 41 41 THR H H 1 7.801 0.02 . 1 . . . . 41 T HN . 17065 1 178 . 1 1 41 41 THR C C 13 173.841 0.2 . 1 . . . . 41 T C . 17065 1 179 . 1 1 41 41 THR CA C 13 61.22 0.2 . 1 . . . . 41 T CA . 17065 1 180 . 1 1 41 41 THR CB C 13 68.196 0.2 . 1 . . . . 41 T CB . 17065 1 181 . 1 1 41 41 THR N N 15 106.709 0.2 . 1 . . . . 41 T N . 17065 1 182 . 1 1 42 42 GLY H H 1 7.733 0.02 . 1 . . . . 42 G HN . 17065 1 183 . 1 1 42 42 GLY CA C 13 48.522 0.2 . 1 . . . . 42 G CA . 17065 1 184 . 1 1 42 42 GLY N N 15 110.264 0.2 . 1 . . . . 42 G N . 17065 1 185 . 1 1 43 43 PRO C C 13 176.552 0.2 . 1 . . . . 43 P C . 17065 1 186 . 1 1 43 43 PRO CA C 13 66.978 0.2 . 1 . . . . 43 P CA . 17065 1 187 . 1 1 44 44 LYS H H 1 7.535 0.02 . 1 . . . . 44 K HN . 17065 1 188 . 1 1 44 44 LYS C C 13 178.302 0.2 . 1 . . . . 44 K C . 17065 1 189 . 1 1 44 44 LYS CA C 13 59.884 0.2 . 1 . . . . 44 K CA . 17065 1 190 . 1 1 44 44 LYS CB C 13 32.385 0.2 . 1 . . . . 44 K CB . 17065 1 191 . 1 1 44 44 LYS N N 15 116.904 0.2 . 1 . . . . 44 K N . 17065 1 192 . 1 1 45 45 ASP H H 1 8.596 0.02 . 1 . . . . 45 D HN . 17065 1 193 . 1 1 45 45 ASP C C 13 178.759 0.2 . 1 . . . . 45 D C . 17065 1 194 . 1 1 45 45 ASP CA C 13 57.614 0.2 . 1 . . . . 45 D CA . 17065 1 195 . 1 1 45 45 ASP CB C 13 39.917 0.2 . 1 . . . . 45 D CB . 17065 1 196 . 1 1 45 45 ASP N N 15 119.209 0.2 . 1 . . . . 45 D N . 17065 1 197 . 1 1 46 46 CYS H H 1 8.727 0.02 . 1 . . . . 46 C HN . 17065 1 198 . 1 1 46 46 CYS C C 13 176.336 0.2 . 1 . . . . 46 C C . 17065 1 199 . 1 1 46 46 CYS CA C 13 62.482 0.2 . 1 . . . . 46 C CA . 17065 1 200 . 1 1 46 46 CYS CB C 13 26.513 0.2 . 1 . . . . 46 C CB . 17065 1 201 . 1 1 46 46 CYS N N 15 121.408 0.2 . 1 . . . . 46 C N . 17065 1 202 . 1 1 47 47 LEU H H 1 8.156 0.02 . 1 . . . . 47 L HN . 17065 1 203 . 1 1 47 47 LEU C C 13 178.559 0.2 . 1 . . . . 47 L C . 17065 1 204 . 1 1 47 47 LEU CA C 13 58.77 0.2 . 1 . . . . 47 L CA . 17065 1 205 . 1 1 47 47 LEU CB C 13 41.068 0.2 . 1 . . . . 47 L CB . 17065 1 206 . 1 1 47 47 LEU N N 15 118.5 0.2 . 1 . . . . 47 L N . 17065 1 207 . 1 1 48 48 ARG H H 1 8.217 0.02 . 1 . . . . 48 R HN . 17065 1 208 . 1 1 48 48 ARG C C 13 179.568 0.2 . 1 . . . . 48 R C . 17065 1 209 . 1 1 48 48 ARG CA C 13 59.687 0.2 . 1 . . . . 48 R CA . 17065 1 210 . 1 1 48 48 ARG CB C 13 31.219 0.2 . 1 . . . . 48 R CB . 17065 1 211 . 1 1 48 48 ARG N N 15 116.823 0.2 . 1 . . . . 48 R N . 17065 1 212 . 1 1 49 49 SER H H 1 7.664 0.02 . 1 . . . . 49 S HN . 17065 1 213 . 1 1 49 49 SER C C 13 178.738 0.2 . 1 . . . . 49 S C . 17065 1 214 . 1 1 49 49 SER CA C 13 62.384 0.2 . 1 . . . . 49 S CA . 17065 1 215 . 1 1 49 49 SER CB C 13 64.421 0.2 . 1 . . . . 49 S CB . 17065 1 216 . 1 1 49 49 SER N N 15 114.239 0.2 . 1 . . . . 49 S N . 17065 1 217 . 1 1 50 50 ILE H H 1 8.869 0.02 . 1 . . . . 50 I HN . 17065 1 218 . 1 1 50 50 ILE C C 13 179.454 0.2 . 1 . . . . 50 I C . 17065 1 219 . 1 1 50 50 ILE CA C 13 66.624 0.2 . 1 . . . . 50 I CA . 17065 1 220 . 1 1 50 50 ILE CB C 13 39.111 0.2 . 1 . . . . 50 I CB . 17065 1 221 . 1 1 50 50 ILE N N 15 119.126 0.2 . 1 . . . . 50 I N . 17065 1 222 . 1 1 51 51 MET H H 1 8.832 0.02 . 1 . . . . 51 M HN . 17065 1 223 . 1 1 51 51 MET C C 13 179.648 0.2 . 1 . . . . 51 M C . 17065 1 224 . 1 1 51 51 MET CA C 13 56.542 0.2 . 1 . . . . 51 M CA . 17065 1 225 . 1 1 51 51 MET CB C 13 28.378 0.2 . 1 . . . . 51 M CB . 17065 1 226 . 1 1 51 51 MET N N 15 116.108 0.2 . 1 . . . . 51 M N . 17065 1 227 . 1 1 52 52 ARG H H 1 7.605 0.02 . 1 . . . . 52 R HN . 17065 1 228 . 1 1 52 52 ARG C C 13 179.394 0.2 . 1 . . . . 52 R C . 17065 1 229 . 1 1 52 52 ARG CA C 13 59.926 0.2 . 1 . . . . 52 R CA . 17065 1 230 . 1 1 52 52 ARG CB C 13 30.595 0.2 . 1 . . . . 52 R CB . 17065 1 231 . 1 1 52 52 ARG N N 15 119.955 0.2 . 1 . . . . 52 R N . 17065 1 232 . 1 1 53 53 ARG H H 1 7.395 0.02 . 1 . . . . 53 R HN . 17065 1 233 . 1 1 53 53 ARG C C 13 178.207 0.2 . 1 . . . . 53 R C . 17065 1 234 . 1 1 53 53 ARG CA C 13 55.606 0.2 . 1 . . . . 53 R CA . 17065 1 235 . 1 1 53 53 ARG CB C 13 28.323 0.2 . 1 . . . . 53 R CB . 17065 1 236 . 1 1 53 53 ARG N N 15 117.374 0.2 . 1 . . . . 53 R N . 17065 1 237 . 1 1 54 54 VAL H H 1 8.396 0.02 . 1 . . . . 54 V HN . 17065 1 238 . 1 1 54 54 VAL C C 13 174.863 0.2 . 1 . . . . 54 V C . 17065 1 239 . 1 1 54 54 VAL CA C 13 66.021 0.2 . 1 . . . . 54 V CA . 17065 1 240 . 1 1 54 54 VAL CB C 13 31.599 0.2 . 1 . . . . 54 V CB . 17065 1 241 . 1 1 54 54 VAL N N 15 121.041 0.2 . 1 . . . . 54 V N . 17065 1 242 . 1 1 55 55 ASN H H 1 7.074 0.02 . 1 . . . . 55 N HN . 17065 1 243 . 1 1 55 55 ASN C C 13 173.991 0.2 . 1 . . . . 55 N C . 17065 1 244 . 1 1 55 55 ASN CA C 13 53.693 0.2 . 1 . . . . 55 N CA . 17065 1 245 . 1 1 55 55 ASN CB C 13 40.385 0.2 . 1 . . . . 55 N CB . 17065 1 246 . 1 1 55 55 ASN N N 15 113.222 0.2 . 1 . . . . 55 N N . 17065 1 247 . 1 1 56 56 HIS H H 1 7.432 0.02 . 1 . . . . 56 H HN . 17065 1 248 . 1 1 56 56 HIS C C 13 174.908 0.2 . 1 . . . . 56 H C . 17065 1 249 . 1 1 56 56 HIS CA C 13 58.995 0.2 . 1 . . . . 56 H CA . 17065 1 250 . 1 1 56 56 HIS CB C 13 33.203 0.2 . 1 . . . . 56 H CB . 17065 1 251 . 1 1 56 56 HIS N N 15 123.267 0.2 . 1 . . . . 56 H N . 17065 1 252 . 1 1 57 57 LYS H H 1 7.844 0.02 . 1 . . . . 57 K HN . 17065 1 253 . 1 1 57 57 LYS CA C 13 58.494 0.2 . 1 . . . . 57 K CA . 17065 1 254 . 1 1 57 57 LYS CB C 13 32.71 0.2 . 1 . . . . 57 K CB . 17065 1 255 . 1 1 57 57 LYS N N 15 124.004 0.2 . 1 . . . . 57 K N . 17065 1 256 . 1 1 59 59 PRO C C 13 177.723 0.2 . 1 . . . . 59 P C . 17065 1 257 . 1 1 59 59 PRO CA C 13 64.451 0.2 . 1 . . . . 59 P CA . 17065 1 258 . 1 1 60 60 HIS H H 1 8.759 0.02 . 1 . . . . 60 H HN . 17065 1 259 . 1 1 60 60 HIS C C 13 179.56 0.2 . 1 . . . . 60 H C . 17065 1 260 . 1 1 60 60 HIS CA C 13 58.005 0.2 . 1 . . . . 60 H CA . 17065 1 261 . 1 1 60 60 HIS CB C 13 30.344 0.2 . 1 . . . . 60 H CB . 17065 1 262 . 1 1 60 60 HIS N N 15 117.644 0.2 . 1 . . . . 60 H N . 17065 1 263 . 1 1 61 61 VAL H H 1 7.219 0.02 . 1 . . . . 61 V HN . 17065 1 264 . 1 1 61 61 VAL C C 13 177.867 0.2 . 1 . . . . 61 V C . 17065 1 265 . 1 1 61 61 VAL CA C 13 65.659 0.2 . 1 . . . . 61 V CA . 17065 1 266 . 1 1 61 61 VAL CB C 13 31.846 0.2 . 1 . . . . 61 V CB . 17065 1 267 . 1 1 61 61 VAL N N 15 121.734 0.2 . 1 . . . . 61 V N . 17065 1 268 . 1 1 62 62 ALA H H 1 7.621 0.02 . 1 . . . . 62 A HN . 17065 1 269 . 1 1 62 62 ALA C C 13 180.471 0.2 . 1 . . . . 62 A C . 17065 1 270 . 1 1 62 62 ALA CA C 13 55.668 0.2 . 1 . . . . 62 A CA . 17065 1 271 . 1 1 62 62 ALA CB C 13 20.781 0.2 . 1 . . . . 62 A CB . 17065 1 272 . 1 1 62 62 ALA N N 15 121.654 0.2 . 1 . . . . 62 A N . 17065 1 273 . 1 1 63 63 MET H H 1 8.904 0.02 . 1 . . . . 63 M HN . 17065 1 274 . 1 1 63 63 MET C C 13 180.579 0.2 . 1 . . . . 63 M C . 17065 1 275 . 1 1 63 63 MET CA C 13 57.779 0.2 . 1 . . . . 63 M CA . 17065 1 276 . 1 1 63 63 MET CB C 13 31.412 0.2 . 1 . . . . 63 M CB . 17065 1 277 . 1 1 63 63 MET N N 15 114.984 0.2 . 1 . . . . 63 M N . 17065 1 278 . 1 1 64 64 GLN H H 1 7.215 0.02 . 1 . . . . 64 Q HN . 17065 1 279 . 1 1 64 64 GLN C C 13 179.026 0.2 . 1 . . . . 64 Q C . 17065 1 280 . 1 1 64 64 GLN CA C 13 59.31 0.2 . 1 . . . . 64 Q CA . 17065 1 281 . 1 1 64 64 GLN CB C 13 32.184 0.2 . 1 . . . . 64 Q CB . 17065 1 282 . 1 1 64 64 GLN N N 15 118.79 0.2 . 1 . . . . 64 Q N . 17065 1 283 . 1 1 65 65 ALA H H 1 8.499 0.02 . 1 . . . . 65 A HN . 17065 1 284 . 1 1 65 65 ALA C C 13 178.631 0.2 . 1 . . . . 65 A C . 17065 1 285 . 1 1 65 65 ALA CA C 13 55.305 0.2 . 1 . . . . 65 A CA . 17065 1 286 . 1 1 65 65 ALA CB C 13 19.018 0.2 . 1 . . . . 65 A CB . 17065 1 287 . 1 1 65 65 ALA N N 15 123.73 0.2 . 1 . . . . 65 A N . 17065 1 288 . 1 1 66 66 LEU H H 1 8.199 0.02 . 1 . . . . 66 L HN . 17065 1 289 . 1 1 66 66 LEU C C 13 179.249 0.2 . 1 . . . . 66 L C . 17065 1 290 . 1 1 66 66 LEU CA C 13 57.762 0.2 . 1 . . . . 66 L CA . 17065 1 291 . 1 1 66 66 LEU CB C 13 41.731 0.2 . 1 . . . . 66 L CB . 17065 1 292 . 1 1 66 66 LEU N N 15 118.846 0.2 . 1 . . . . 66 L N . 17065 1 293 . 1 1 67 67 THR H H 1 8.025 0.02 . 1 . . . . 67 T HN . 17065 1 294 . 1 1 67 67 THR C C 13 177.159 0.2 . 1 . . . . 67 T C . 17065 1 295 . 1 1 67 67 THR CA C 13 66.641 0.2 . 1 . . . . 67 T CA . 17065 1 296 . 1 1 67 67 THR CB C 13 67.997 0.2 . 1 . . . . 67 T CB . 17065 1 297 . 1 1 67 67 THR N N 15 119.492 0.2 . 1 . . . . 67 T N . 17065 1 298 . 1 1 68 68 LEU H H 1 7.759 0.02 . 1 . . . . 68 L HN . 17065 1 299 . 1 1 68 68 LEU C C 13 177.003 0.2 . 1 . . . . 68 L C . 17065 1 300 . 1 1 68 68 LEU CA C 13 58.268 0.2 . 1 . . . . 68 L CA . 17065 1 301 . 1 1 68 68 LEU CB C 13 41.36 0.2 . 1 . . . . 68 L CB . 17065 1 302 . 1 1 68 68 LEU N N 15 123.808 0.2 . 1 . . . . 68 L N . 17065 1 303 . 1 1 69 69 LEU H H 1 8.873 0.02 . 1 . . . . 69 L HN . 17065 1 304 . 1 1 69 69 LEU C C 13 178.594 0.2 . 1 . . . . 69 L C . 17065 1 305 . 1 1 69 69 LEU CA C 13 58.647 0.2 . 1 . . . . 69 L CA . 17065 1 306 . 1 1 69 69 LEU CB C 13 41.859 0.2 . 1 . . . . 69 L CB . 17065 1 307 . 1 1 69 69 LEU N N 15 121.137 0.2 . 1 . . . . 69 L N . 17065 1 308 . 1 1 70 70 GLY H H 1 8.859 0.02 . 1 . . . . 70 G HN . 17065 1 309 . 1 1 70 70 GLY C C 13 176.336 0.2 . 1 . . . . 70 G C . 17065 1 310 . 1 1 70 70 GLY CA C 13 47.72 0.2 . 1 . . . . 70 G CA . 17065 1 311 . 1 1 70 70 GLY N N 15 103.84 0.2 . 1 . . . . 70 G N . 17065 1 312 . 1 1 71 71 ALA H H 1 8.311 0.02 . 1 . . . . 71 A HN . 17065 1 313 . 1 1 71 71 ALA C C 13 179.996 0.2 . 1 . . . . 71 A C . 17065 1 314 . 1 1 71 71 ALA CA C 13 55.111 0.2 . 1 . . . . 71 A CA . 17065 1 315 . 1 1 71 71 ALA CB C 13 18.41 0.2 . 1 . . . . 71 A CB . 17065 1 316 . 1 1 71 71 ALA N N 15 125.446 0.2 . 1 . . . . 71 A N . 17065 1 317 . 1 1 72 72 CYS H H 1 8.523 0.02 . 1 . . . . 72 C HN . 17065 1 318 . 1 1 72 72 CYS CA C 13 62.771 0.2 . 1 . . . . 72 C CA . 17065 1 319 . 1 1 72 72 CYS CB C 13 26.808 0.2 . 1 . . . . 72 C CB . 17065 1 320 . 1 1 72 72 CYS N N 15 118.649 0.2 . 1 . . . . 72 C N . 17065 1 321 . 1 1 73 73 VAL H H 1 8.026 0.02 . 1 . . . . 73 V HN . 17065 1 322 . 1 1 73 73 VAL C C 13 178.305 0.2 . 1 . . . . 73 V C . 17065 1 323 . 1 1 73 73 VAL CA C 13 68.236 0.2 . 1 . . . . 73 V CA . 17065 1 324 . 1 1 73 73 VAL CB C 13 31.589 0.2 . 1 . . . . 73 V CB . 17065 1 325 . 1 1 73 73 VAL N N 15 120.1 0.2 . 1 . . . . 73 V N . 17065 1 326 . 1 1 74 74 SER H H 1 8.343 0.02 . 1 . . . . 74 S HN . 17065 1 327 . 1 1 74 74 SER C C 13 176.195 0.2 . 1 . . . . 74 S C . 17065 1 328 . 1 1 74 74 SER CA C 13 62.171 0.2 . 1 . . . . 74 S CA . 17065 1 329 . 1 1 74 74 SER CB C 13 63.393 0.2 . 1 . . . . 74 S CB . 17065 1 330 . 1 1 74 74 SER N N 15 114.614 0.2 . 1 . . . . 74 S N . 17065 1 331 . 1 1 75 75 ASN H H 1 8.253 0.02 . 1 . . . . 75 N HN . 17065 1 332 . 1 1 75 75 ASN C C 13 177.537 0.2 . 1 . . . . 75 N C . 17065 1 333 . 1 1 75 75 ASN CA C 13 55.414 0.2 . 1 . . . . 75 N CA . 17065 1 334 . 1 1 75 75 ASN CB C 13 41.399 0.2 . 1 . . . . 75 N CB . 17065 1 335 . 1 1 75 75 ASN N N 15 114.669 0.2 . 1 . . . . 75 N N . 17065 1 336 . 1 1 76 76 CYS H H 1 8.416 0.02 . 1 . . . . 76 C HN . 17065 1 337 . 1 1 76 76 CYS C C 13 175.078 0.2 . 1 . . . . 76 C C . 17065 1 338 . 1 1 76 76 CYS CA C 13 61.186 0.2 . 1 . . . . 76 C CA . 17065 1 339 . 1 1 76 76 CYS CB C 13 29.032 0.2 . 1 . . . . 76 C CB . 17065 1 340 . 1 1 76 76 CYS N N 15 115.509 0.2 . 1 . . . . 76 C N . 17065 1 341 . 1 1 77 77 GLY H H 1 7.829 0.02 . 1 . . . . 77 G HN . 17065 1 342 . 1 1 77 77 GLY C C 13 172.689 0.2 . 1 . . . . 77 G C . 17065 1 343 . 1 1 77 77 GLY CA C 13 44.417 0.2 . 1 . . . . 77 G CA . 17065 1 344 . 1 1 77 77 GLY N N 15 105.598 0.2 . 1 . . . . 77 G N . 17065 1 345 . 1 1 78 78 LYS H H 1 8.119 0.02 . 1 . . . . 78 K HN . 17065 1 346 . 1 1 78 78 LYS C C 13 176.832 0.2 . 1 . . . . 78 K C . 17065 1 347 . 1 1 78 78 LYS CA C 13 59.059 0.2 . 1 . . . . 78 K CA . 17065 1 348 . 1 1 78 78 LYS CB C 13 31.868 0.2 . 1 . . . . 78 K CB . 17065 1 349 . 1 1 78 78 LYS N N 15 119.144 0.2 . 1 . . . . 78 K N . 17065 1 350 . 1 1 79 79 ILE H H 1 8.238 0.02 . 1 . . . . 79 I HN . 17065 1 351 . 1 1 79 79 ILE C C 13 176.639 0.2 . 1 . . . . 79 I C . 17065 1 352 . 1 1 79 79 ILE CA C 13 63.899 0.2 . 1 . . . . 79 I CA . 17065 1 353 . 1 1 79 79 ILE CB C 13 37.457 0.2 . 1 . . . . 79 I CB . 17065 1 354 . 1 1 79 79 ILE N N 15 114.151 0.2 . 1 . . . . 79 I N . 17065 1 355 . 1 1 80 80 PHE H H 1 7.334 0.02 . 1 . . . . 80 F HN . 17065 1 356 . 1 1 80 80 PHE C C 13 176.81 0.2 . 1 . . . . 80 F C . 17065 1 357 . 1 1 80 80 PHE CA C 13 60.813 0.2 . 1 . . . . 80 F CA . 17065 1 358 . 1 1 80 80 PHE CB C 13 41.893 0.2 . 1 . . . . 80 F CB . 17065 1 359 . 1 1 80 80 PHE N N 15 120.96 0.2 . 1 . . . . 80 F N . 17065 1 360 . 1 1 81 81 HIS H H 1 7.844 0.02 . 1 . . . . 81 H HN . 17065 1 361 . 1 1 81 81 HIS C C 13 177.454 0.2 . 1 . . . . 81 H C . 17065 1 362 . 1 1 81 81 HIS CA C 13 57.849 0.2 . 1 . . . . 81 H CA . 17065 1 363 . 1 1 81 81 HIS CB C 13 31.964 0.2 . 1 . . . . 81 H CB . 17065 1 364 . 1 1 81 81 HIS N N 15 121.993 0.2 . 1 . . . . 81 H N . 17065 1 365 . 1 1 82 82 LEU H H 1 8.431 0.02 . 1 . . . . 82 L HN . 17065 1 366 . 1 1 82 82 LEU C C 13 178.451 0.2 . 1 . . . . 82 L C . 17065 1 367 . 1 1 82 82 LEU CA C 13 57.72 0.2 . 1 . . . . 82 L CA . 17065 1 368 . 1 1 82 82 LEU CB C 13 42.482 0.2 . 1 . . . . 82 L CB . 17065 1 369 . 1 1 82 82 LEU N N 15 116.416 0.2 . 1 . . . . 82 L N . 17065 1 370 . 1 1 83 83 GLU H H 1 6.844 0.02 . 1 . . . . 83 E HN . 17065 1 371 . 1 1 83 83 GLU C C 13 178.662 0.2 . 1 . . . . 83 E C . 17065 1 372 . 1 1 83 83 GLU CA C 13 57.048 0.2 . 1 . . . . 83 E CA . 17065 1 373 . 1 1 83 83 GLU CB C 13 28.438 0.2 . 1 . . . . 83 E CB . 17065 1 374 . 1 1 83 83 GLU N N 15 115.819 0.2 . 1 . . . . 83 E N . 17065 1 375 . 1 1 84 84 VAL H H 1 6.938 0.02 . 1 . . . . 84 V HN . 17065 1 376 . 1 1 84 84 VAL C C 13 175.204 0.2 . 1 . . . . 84 V C . 17065 1 377 . 1 1 84 84 VAL CA C 13 64.221 0.2 . 1 . . . . 84 V CA . 17065 1 378 . 1 1 84 84 VAL CB C 13 31.083 0.2 . 1 . . . . 84 V CB . 17065 1 379 . 1 1 84 84 VAL N N 15 117.722 0.2 . 1 . . . . 84 V N . 17065 1 380 . 1 1 85 85 CYS H H 1 7.081 0.02 . 1 . . . . 85 C HN . 17065 1 381 . 1 1 85 85 CYS C C 13 173.818 0.2 . 1 . . . . 85 C C . 17065 1 382 . 1 1 85 85 CYS CA C 13 59.146 0.2 . 1 . . . . 85 C CA . 17065 1 383 . 1 1 85 85 CYS CB C 13 25.699 0.2 . 1 . . . . 85 C CB . 17065 1 384 . 1 1 85 85 CYS N N 15 115.208 0.2 . 1 . . . . 85 C N . 17065 1 385 . 1 1 86 86 SER H H 1 7.764 0.02 . 1 . . . . 86 S HN . 17065 1 386 . 1 1 86 86 SER C C 13 174.42 0.2 . 1 . . . . 86 S C . 17065 1 387 . 1 1 86 86 SER CA C 13 56.436 0.2 . 1 . . . . 86 S CA . 17065 1 388 . 1 1 86 86 SER CB C 13 67.416 0.2 . 1 . . . . 86 S CB . 17065 1 389 . 1 1 86 86 SER N N 15 113.786 0.2 . 1 . . . . 86 S N . 17065 1 390 . 1 1 87 87 ARG H H 1 9.008 0.02 . 1 . . . . 87 R HN . 17065 1 391 . 1 1 87 87 ARG C C 13 178.583 0.2 . 1 . . . . 87 R C . 17065 1 392 . 1 1 87 87 ARG CA C 13 59.064 0.2 . 1 . . . . 87 R CA . 17065 1 393 . 1 1 87 87 ARG CB C 13 29.582 0.2 . 1 . . . . 87 R CB . 17065 1 394 . 1 1 87 87 ARG N N 15 122.468 0.2 . 1 . . . . 87 R N . 17065 1 395 . 1 1 88 88 ASP H H 1 8.417 0.02 . 1 . . . . 88 D HN . 17065 1 396 . 1 1 88 88 ASP C C 13 178.373 0.2 . 1 . . . . 88 D C . 17065 1 397 . 1 1 88 88 ASP CA C 13 57.54 0.2 . 1 . . . . 88 D CA . 17065 1 398 . 1 1 88 88 ASP CB C 13 40.302 0.2 . 1 . . . . 88 D CB . 17065 1 399 . 1 1 88 88 ASP N N 15 118.732 0.2 . 1 . . . . 88 D N . 17065 1 400 . 1 1 89 89 PHE H H 1 7.782 0.02 . 1 . . . . 89 F HN . 17065 1 401 . 1 1 89 89 PHE CA C 13 61.555 0.2 . 1 . . . . 89 F CA . 17065 1 402 . 1 1 89 89 PHE CB C 13 40.026 0.2 . 1 . . . . 89 F CB . 17065 1 403 . 1 1 89 89 PHE N N 15 121.145 0.2 . 1 . . . . 89 F N . 17065 1 404 . 1 1 90 90 ALA H H 1 8.023 0.02 . 1 . . . . 90 A HN . 17065 1 405 . 1 1 90 90 ALA C C 13 180.55 0.2 . 1 . . . . 90 A C . 17065 1 406 . 1 1 90 90 ALA CA C 13 55.823 0.2 . 1 . . . . 90 A CA . 17065 1 407 . 1 1 90 90 ALA CB C 13 18.29 0.2 . 1 . . . . 90 A CB . 17065 1 408 . 1 1 90 90 ALA N N 15 120.74 0.2 . 1 . . . . 90 A N . 17065 1 409 . 1 1 91 91 SER H H 1 8.172 0.02 . 1 . . . . 91 S HN . 17065 1 410 . 1 1 91 91 SER C C 13 176.977 0.2 . 1 . . . . 91 S C . 17065 1 411 . 1 1 91 91 SER CA C 13 61.594 0.2 . 1 . . . . 91 S CA . 17065 1 412 . 1 1 91 91 SER CB C 13 62.723 0.2 . 1 . . . . 91 S CB . 17065 1 413 . 1 1 91 91 SER N N 15 113.351 0.2 . 1 . . . . 91 S N . 17065 1 414 . 1 1 92 92 GLU H H 1 7.615 0.02 . 1 . . . . 92 E HN . 17065 1 415 . 1 1 92 92 GLU C C 13 179.384 0.2 . 1 . . . . 92 E C . 17065 1 416 . 1 1 92 92 GLU CA C 13 58.759 0.2 . 1 . . . . 92 E CA . 17065 1 417 . 1 1 92 92 GLU CB C 13 29.337 0.2 . 1 . . . . 92 E CB . 17065 1 418 . 1 1 92 92 GLU N N 15 122.145 0.2 . 1 . . . . 92 E N . 17065 1 419 . 1 1 93 93 VAL H H 1 8.382 0.02 . 1 . . . . 93 V HN . 17065 1 420 . 1 1 93 93 VAL C C 13 177.497 0.2 . 1 . . . . 93 V C . 17065 1 421 . 1 1 93 93 VAL CA C 13 66.941 0.2 . 1 . . . . 93 V CA . 17065 1 422 . 1 1 93 93 VAL CB C 13 31.368 0.2 . 1 . . . . 93 V CB . 17065 1 423 . 1 1 93 93 VAL N N 15 119.713 0.2 . 1 . . . . 93 V N . 17065 1 424 . 1 1 94 94 SER H H 1 7.805 0.02 . 1 . . . . 94 S HN . 17065 1 425 . 1 1 94 94 SER C C 13 176.081 0.2 . 1 . . . . 94 S C . 17065 1 426 . 1 1 94 94 SER CA C 13 62.632 0.2 . 1 . . . . 94 S CA . 17065 1 427 . 1 1 94 94 SER N N 15 113.865 0.2 . 1 . . . . 94 S N . 17065 1 428 . 1 1 95 95 ASN H H 1 7.49 0.02 . 1 . . . . 95 N HN . 17065 1 429 . 1 1 95 95 ASN CA C 13 56.752 0.2 . 1 . . . . 95 N CA . 17065 1 430 . 1 1 95 95 ASN CB C 13 38.647 0.2 . 1 . . . . 95 N CB . 17065 1 431 . 1 1 95 95 ASN N N 15 118.486 0.2 . 1 . . . . 95 N N . 17065 1 432 . 1 1 96 96 VAL H H 1 7.998 0.02 . 1 . . . . 96 V HN . 17065 1 433 . 1 1 96 96 VAL C C 13 178.394 0.2 . 1 . . . . 96 V C . 17065 1 434 . 1 1 96 96 VAL CA C 13 66.32 0.2 . 1 . . . . 96 V CA . 17065 1 435 . 1 1 96 96 VAL CB C 13 31.454 0.2 . 1 . . . . 96 V CB . 17065 1 436 . 1 1 96 96 VAL N N 15 121.022 0.2 . 1 . . . . 96 V N . 17065 1 437 . 1 1 97 97 LEU H H 1 8.393 0.02 . 1 . . . . 97 L HN . 17065 1 438 . 1 1 97 97 LEU C C 13 179.064 0.2 . 1 . . . . 97 L C . 17065 1 439 . 1 1 97 97 LEU CA C 13 57.316 0.2 . 1 . . . . 97 L CA . 17065 1 440 . 1 1 97 97 LEU CB C 13 40.441 0.2 . 1 . . . . 97 L CB . 17065 1 441 . 1 1 97 97 LEU N N 15 117.132 0.2 . 1 . . . . 97 L N . 17065 1 442 . 1 1 98 98 ASN H H 1 7.72 0.02 . 1 . . . . 98 N HN . 17065 1 443 . 1 1 98 98 ASN C C 13 176.537 0.2 . 1 . . . . 98 N C . 17065 1 444 . 1 1 98 98 ASN CA C 13 55.203 0.2 . 1 . . . . 98 N CA . 17065 1 445 . 1 1 98 98 ASN CB C 13 39.832 0.2 . 1 . . . . 98 N CB . 17065 1 446 . 1 1 98 98 ASN N N 15 115.35 0.2 . 1 . . . . 98 N N . 17065 1 447 . 1 1 99 99 LYS H H 1 7.681 0.02 . 1 . . . . 99 K HN . 17065 1 448 . 1 1 99 99 LYS C C 13 177.682 0.2 . 1 . . . . 99 K C . 17065 1 449 . 1 1 99 99 LYS CA C 13 56.613 0.2 . 1 . . . . 99 K CA . 17065 1 450 . 1 1 99 99 LYS CB C 13 34.453 0.2 . 1 . . . . 99 K CB . 17065 1 451 . 1 1 99 99 LYS N N 15 116.555 0.2 . 1 . . . . 99 K N . 17065 1 452 . 1 1 100 100 GLY H H 1 8.706 0.02 . 1 . . . . 100 G HN . 17065 1 453 . 1 1 100 100 GLY C C 13 173.414 0.2 . 1 . . . . 100 G C . 17065 1 454 . 1 1 100 100 GLY CA C 13 45.328 0.2 . 1 . . . . 100 G CA . 17065 1 455 . 1 1 100 100 GLY N N 15 109.439 0.2 . 1 . . . . 100 G N . 17065 1 456 . 1 1 101 101 HIS H H 1 9.274 0.02 . 1 . . . . 101 H HN . 17065 1 457 . 1 1 101 101 HIS CA C 13 56.225 0.2 . 1 . . . . 101 H CA . 17065 1 458 . 1 1 101 101 HIS CB C 13 31.85 0.2 . 1 . . . . 101 H CB . 17065 1 459 . 1 1 101 101 HIS N N 15 123.626 0.2 . 1 . . . . 101 H N . 17065 1 460 . 1 1 102 102 PRO C C 13 179.396 0.2 . 1 . . . . 102 P C . 17065 1 461 . 1 1 102 102 PRO CA C 13 66.388 0.2 . 1 . . . . 102 P CA . 17065 1 462 . 1 1 103 103 LYS H H 1 10.479 0.02 . 1 . . . . 103 K HN . 17065 1 463 . 1 1 103 103 LYS C C 13 179.701 0.2 . 1 . . . . 103 K C . 17065 1 464 . 1 1 103 103 LYS CA C 13 59.43 0.2 . 1 . . . . 103 K CA . 17065 1 465 . 1 1 103 103 LYS CB C 13 32.339 0.2 . 1 . . . . 103 K CB . 17065 1 466 . 1 1 103 103 LYS N N 15 119.967 0.2 . 1 . . . . 103 K N . 17065 1 467 . 1 1 104 104 VAL H H 1 7.384 0.02 . 1 . . . . 104 V HN . 17065 1 468 . 1 1 104 104 VAL C C 13 177.391 0.2 . 1 . . . . 104 V C . 17065 1 469 . 1 1 104 104 VAL CA C 13 65.408 0.2 . 1 . . . . 104 V CA . 17065 1 470 . 1 1 104 104 VAL CB C 13 32.384 0.2 . 1 . . . . 104 V CB . 17065 1 471 . 1 1 104 104 VAL N N 15 122.833 0.2 . 1 . . . . 104 V N . 17065 1 472 . 1 1 105 105 CYS H H 1 8.267 0.02 . 1 . . . . 105 C HN . 17065 1 473 . 1 1 105 105 CYS C C 13 176.677 0.2 . 1 . . . . 105 C C . 17065 1 474 . 1 1 105 105 CYS CA C 13 63.896 0.2 . 1 . . . . 105 C CA . 17065 1 475 . 1 1 105 105 CYS CB C 13 26.85 0.2 . 1 . . . . 105 C CB . 17065 1 476 . 1 1 105 105 CYS N N 15 116.907 0.2 . 1 . . . . 105 C N . 17065 1 477 . 1 1 106 106 GLU H H 1 8.164 0.02 . 1 . . . . 106 E HN . 17065 1 478 . 1 1 106 106 GLU C C 13 178.425 0.2 . 1 . . . . 106 E C . 17065 1 479 . 1 1 106 106 GLU CA C 13 59.593 0.2 . 1 . . . . 106 E CA . 17065 1 480 . 1 1 106 106 GLU CB C 13 29.492 0.2 . 1 . . . . 106 E CB . 17065 1 481 . 1 1 106 106 GLU N N 15 117.239 0.2 . 1 . . . . 106 E N . 17065 1 482 . 1 1 107 107 LYS H H 1 7.468 0.02 . 1 . . . . 107 K HN . 17065 1 483 . 1 1 107 107 LYS C C 13 177.498 0.2 . 1 . . . . 107 K C . 17065 1 484 . 1 1 107 107 LYS CA C 13 58.567 0.2 . 1 . . . . 107 K CA . 17065 1 485 . 1 1 107 107 LYS CB C 13 31.227 0.2 . 1 . . . . 107 K CB . 17065 1 486 . 1 1 107 107 LYS N N 15 120.325 0.2 . 1 . . . . 107 K N . 17065 1 487 . 1 1 108 108 LEU H H 1 8.327 0.02 . 1 . . . . 108 L HN . 17065 1 488 . 1 1 108 108 LEU C C 13 177.828 0.2 . 1 . . . . 108 L C . 17065 1 489 . 1 1 108 108 LEU CB C 13 41.299 0.2 . 1 . . . . 108 L CB . 17065 1 490 . 1 1 108 108 LEU N N 15 119.805 0.2 . 1 . . . . 108 L N . 17065 1 491 . 1 1 109 109 LYS H H 1 8.159 0.02 . 1 . . . . 109 K HN . 17065 1 492 . 1 1 109 109 LYS C C 13 177.873 0.2 . 1 . . . . 109 K C . 17065 1 493 . 1 1 109 109 LYS CA C 13 61.014 0.2 . 1 . . . . 109 K CA . 17065 1 494 . 1 1 109 109 LYS CB C 13 31.952 0.2 . 1 . . . . 109 K CB . 17065 1 495 . 1 1 109 109 LYS N N 15 116.649 0.2 . 1 . . . . 109 K N . 17065 1 496 . 1 1 110 110 ALA H H 1 7.801 0.02 . 1 . . . . 110 A HN . 17065 1 497 . 1 1 110 110 ALA CA C 13 55.435 0.2 . 1 . . . . 110 A CA . 17065 1 498 . 1 1 110 110 ALA CB C 13 17.938 0.2 . 1 . . . . 110 A CB . 17065 1 499 . 1 1 110 110 ALA N N 15 120.091 0.2 . 1 . . . . 110 A N . 17065 1 500 . 1 1 111 111 LEU C C 13 176.584 0.2 . 1 . . . . 111 L C . 17065 1 501 . 1 1 112 112 MET H H 1 7.628 0.02 . 1 . . . . 112 M HN . 17065 1 502 . 1 1 112 112 MET C C 13 178.219 0.2 . 1 . . . . 112 M C . 17065 1 503 . 1 1 112 112 MET CA C 13 59.947 0.2 . 1 . . . . 112 M CA . 17065 1 504 . 1 1 112 112 MET CB C 13 34.089 0.2 . 1 . . . . 112 M CB . 17065 1 505 . 1 1 112 112 MET N N 15 114.206 0.2 . 1 . . . . 112 M N . 17065 1 506 . 1 1 113 113 VAL H H 1 7.71 0.02 . 1 . . . . 113 V HN . 17065 1 507 . 1 1 113 113 VAL C C 13 179.124 0.2 . 1 . . . . 113 V C . 17065 1 508 . 1 1 113 113 VAL CA C 13 66.981 0.2 . 1 . . . . 113 V CA . 17065 1 509 . 1 1 113 113 VAL CB C 13 31.944 0.2 . 1 . . . . 113 V CB . 17065 1 510 . 1 1 113 113 VAL N N 15 118 0.2 . 1 . . . . 113 V N . 17065 1 511 . 1 1 114 114 GLU H H 1 7.723 0.02 . 1 . . . . 114 E HN . 17065 1 512 . 1 1 114 114 GLU C C 13 180.002 0.2 . 1 . . . . 114 E C . 17065 1 513 . 1 1 114 114 GLU CA C 13 59.882 0.2 . 1 . . . . 114 E CA . 17065 1 514 . 1 1 114 114 GLU CB C 13 28.753 0.2 . 1 . . . . 114 E CB . 17065 1 515 . 1 1 114 114 GLU N N 15 123.245 0.2 . 1 . . . . 114 E N . 17065 1 516 . 1 1 115 115 TRP H H 1 8.831 0.02 . 1 . . . . 115 W HN . 17065 1 517 . 1 1 115 115 TRP C C 13 177.744 0.2 . 1 . . . . 115 W C . 17065 1 518 . 1 1 115 115 TRP CA C 13 57.114 0.2 . 1 . . . . 115 W CA . 17065 1 519 . 1 1 115 115 TRP CB C 13 27.764 0.2 . 1 . . . . 115 W CB . 17065 1 520 . 1 1 115 115 TRP N N 15 121.037 0.2 . 1 . . . . 115 W N . 17065 1 521 . 1 1 116 116 THR H H 1 7.899 0.02 . 1 . . . . 116 T HN . 17065 1 522 . 1 1 116 116 THR C C 13 177.095 0.2 . 1 . . . . 116 T C . 17065 1 523 . 1 1 116 116 THR CA C 13 66.621 0.2 . 1 . . . . 116 T CA . 17065 1 524 . 1 1 116 116 THR CB C 13 68.569 0.2 . 1 . . . . 116 T CB . 17065 1 525 . 1 1 116 116 THR N N 15 111.19 0.2 . 1 . . . . 116 T N . 17065 1 526 . 1 1 117 117 ASP H H 1 7.1 0.02 . 1 . . . . 117 D HN . 17065 1 527 . 1 1 117 117 ASP C C 13 177.87 0.2 . 1 . . . . 117 D C . 17065 1 528 . 1 1 117 117 ASP CA C 13 57.315 0.2 . 1 . . . . 117 D CA . 17065 1 529 . 1 1 117 117 ASP CB C 13 41.91 0.2 . 1 . . . . 117 D CB . 17065 1 530 . 1 1 117 117 ASP N N 15 120.512 0.2 . 1 . . . . 117 D N . 17065 1 531 . 1 1 118 118 GLU H H 1 7.636 0.02 . 1 . . . . 118 E HN . 17065 1 532 . 1 1 118 118 GLU C C 13 179.247 0.2 . 1 . . . . 118 E C . 17065 1 533 . 1 1 118 118 GLU CA C 13 58.477 0.2 . 1 . . . . 118 E CA . 17065 1 534 . 1 1 118 118 GLU CB C 13 29.238 0.2 . 1 . . . . 118 E CB . 17065 1 535 . 1 1 118 118 GLU N N 15 119.139 0.2 . 1 . . . . 118 E N . 17065 1 536 . 1 1 119 119 PHE H H 1 8.539 0.02 . 1 . . . . 119 F HN . 17065 1 537 . 1 1 119 119 PHE C C 13 177.948 0.2 . 1 . . . . 119 F C . 17065 1 538 . 1 1 119 119 PHE CA C 13 54.715 0.2 . 1 . . . . 119 F CA . 17065 1 539 . 1 1 119 119 PHE CB C 13 37.656 0.2 . 1 . . . . 119 F CB . 17065 1 540 . 1 1 119 119 PHE N N 15 117.484 0.2 . 1 . . . . 119 F N . 17065 1 541 . 1 1 120 120 LYS H H 1 7.131 0.02 . 1 . . . . 120 K HN . 17065 1 542 . 1 1 120 120 LYS C C 13 176.215 0.2 . 1 . . . . 120 K C . 17065 1 543 . 1 1 120 120 LYS CA C 13 59.154 0.2 . 1 . . . . 120 K CA . 17065 1 544 . 1 1 120 120 LYS CB C 13 32.313 0.2 . 1 . . . . 120 K CB . 17065 1 545 . 1 1 120 120 LYS N N 15 117.029 0.2 . 1 . . . . 120 K N . 17065 1 546 . 1 1 121 121 ASN H H 1 8.474 0.02 . 1 . . . . 121 N HN . 17065 1 547 . 1 1 121 121 ASN C C 13 174.227 0.2 . 1 . . . . 121 N C . 17065 1 548 . 1 1 121 121 ASN CA C 13 53.432 0.2 . 1 . . . . 121 N CA . 17065 1 549 . 1 1 121 121 ASN CB C 13 38.781 0.2 . 1 . . . . 121 N CB . 17065 1 550 . 1 1 121 121 ASN N N 15 116.635 0.2 . 1 . . . . 121 N N . 17065 1 551 . 1 1 122 122 ASP H H 1 7.807 0.02 . 1 . . . . 122 D HN . 17065 1 552 . 1 1 122 122 ASP CA C 13 50.473 0.2 . 1 . . . . 122 D CA . 17065 1 553 . 1 1 122 122 ASP CB C 13 42.497 0.2 . 1 . . . . 122 D CB . 17065 1 554 . 1 1 122 122 ASP N N 15 120.181 0.2 . 1 . . . . 122 D N . 17065 1 555 . 1 1 123 123 PRO C C 13 178.746 0.2 . 1 . . . . 123 P C . 17065 1 556 . 1 1 123 123 PRO CA C 13 64.477 0.2 . 1 . . . . 123 P CA . 17065 1 557 . 1 1 123 123 PRO CB C 13 32.345 0.2 . 1 . . . . 123 P CB . 17065 1 558 . 1 1 124 124 GLN H H 1 8.5 0.02 . 1 . . . . 124 Q HN . 17065 1 559 . 1 1 124 124 GLN C C 13 177.112 0.2 . 1 . . . . 124 Q C . 17065 1 560 . 1 1 124 124 GLN CA C 13 57.529 0.2 . 1 . . . . 124 Q CA . 17065 1 561 . 1 1 124 124 GLN CB C 13 29.082 0.2 . 1 . . . . 124 Q CB . 17065 1 562 . 1 1 124 124 GLN N N 15 115.19 0.2 . 1 . . . . 124 Q N . 17065 1 563 . 1 1 125 125 LEU H H 1 7.937 0.02 . 1 . . . . 125 L HN . 17065 1 564 . 1 1 125 125 LEU C C 13 176.201 0.2 . 1 . . . . 125 L C . 17065 1 565 . 1 1 125 125 LEU CA C 13 53.375 0.2 . 1 . . . . 125 L CA . 17065 1 566 . 1 1 125 125 LEU CB C 13 39.573 0.2 . 1 . . . . 125 L CB . 17065 1 567 . 1 1 125 125 LEU N N 15 119.771 0.2 . 1 . . . . 125 L N . 17065 1 568 . 1 1 126 126 SER H H 1 7.102 0.02 . 1 . . . . 126 S HN . 17065 1 569 . 1 1 126 126 SER CA C 13 60.441 0.2 . 1 . . . . 126 S CA . 17065 1 570 . 1 1 126 126 SER CB C 13 64.383 0.2 . 1 . . . . 126 S CB . 17065 1 571 . 1 1 126 126 SER N N 15 113.074 0.2 . 1 . . . . 126 S N . 17065 1 572 . 1 1 127 127 LEU C C 13 178.349 0.2 . 1 . . . . 127 L C . 17065 1 573 . 1 1 127 127 LEU CA C 13 58.393 0.2 . 1 . . . . 127 L CA . 17065 1 574 . 1 1 127 127 LEU CB C 13 41.922 0.2 . 1 . . . . 127 L CB . 17065 1 575 . 1 1 128 128 ILE H H 1 6.75 0.02 . 1 . . . . 128 I HN . 17065 1 576 . 1 1 128 128 ILE C C 13 177.581 0.2 . 1 . . . . 128 I C . 17065 1 577 . 1 1 128 128 ILE CA C 13 63.165 0.2 . 1 . . . . 128 I CA . 17065 1 578 . 1 1 128 128 ILE CB C 13 34.615 0.2 . 1 . . . . 128 I CB . 17065 1 579 . 1 1 128 128 ILE N N 15 114.9 0.2 . 1 . . . . 128 I N . 17065 1 580 . 1 1 129 129 SER H H 1 8.938 0.02 . 1 . . . . 129 S HN . 17065 1 581 . 1 1 129 129 SER C C 13 177.264 0.2 . 1 . . . . 129 S C . 17065 1 582 . 1 1 129 129 SER CA C 13 61.748 0.2 . 1 . . . . 129 S CA . 17065 1 583 . 1 1 129 129 SER CB C 13 62.647 0.2 . 1 . . . . 129 S CB . 17065 1 584 . 1 1 129 129 SER N N 15 116.36 0.2 . 1 . . . . 129 S N . 17065 1 585 . 1 1 130 130 ALA H H 1 7.742 0.02 . 1 . . . . 130 A HN . 17065 1 586 . 1 1 130 130 ALA C C 13 179.978 0.2 . 1 . . . . 130 A C . 17065 1 587 . 1 1 130 130 ALA CA C 13 55.215 0.2 . 1 . . . . 130 A CA . 17065 1 588 . 1 1 130 130 ALA CB C 13 18.214 0.2 . 1 . . . . 130 A CB . 17065 1 589 . 1 1 130 130 ALA N N 15 125.353 0.2 . 1 . . . . 130 A N . 17065 1 590 . 1 1 131 131 MET H H 1 8.762 0.02 . 1 . . . . 131 M HN . 17065 1 591 . 1 1 131 131 MET C C 13 178.688 0.2 . 1 . . . . 131 M C . 17065 1 592 . 1 1 131 131 MET CA C 13 59.396 0.2 . 1 . . . . 131 M CA . 17065 1 593 . 1 1 131 131 MET CB C 13 33.578 0.2 . 1 . . . . 131 M CB . 17065 1 594 . 1 1 131 131 MET N N 15 120.19 0.2 . 1 . . . . 131 M N . 17065 1 595 . 1 1 132 132 ILE H H 1 8.09 0.02 . 1 . . . . 132 I HN . 17065 1 596 . 1 1 132 132 ILE C C 13 177.031 0.2 . 1 . . . . 132 I C . 17065 1 597 . 1 1 132 132 ILE CA C 13 65.915 0.2 . 1 . . . . 132 I CA . 17065 1 598 . 1 1 132 132 ILE CB C 13 37.392 0.2 . 1 . . . . 132 I CB . 17065 1 599 . 1 1 132 132 ILE N N 15 119.087 0.2 . 1 . . . . 132 I N . 17065 1 600 . 1 1 133 133 LYS H H 1 7.65 0.02 . 1 . . . . 133 K HN . 17065 1 601 . 1 1 133 133 LYS C C 13 178.943 0.2 . 1 . . . . 133 K C . 17065 1 602 . 1 1 133 133 LYS CA C 13 60.312 0.2 . 1 . . . . 133 K CA . 17065 1 603 . 1 1 133 133 LYS CB C 13 32.398 0.2 . 1 . . . . 133 K CB . 17065 1 604 . 1 1 133 133 LYS N N 15 119.325 0.2 . 1 . . . . 133 K N . 17065 1 605 . 1 1 134 134 ASN H H 1 8.024 0.02 . 1 . . . . 134 N HN . 17065 1 606 . 1 1 134 134 ASN C C 13 177.961 0.2 . 1 . . . . 134 N C . 17065 1 607 . 1 1 134 134 ASN CA C 13 56.486 0.2 . 1 . . . . 134 N CA . 17065 1 608 . 1 1 134 134 ASN CB C 13 39.027 0.2 . 1 . . . . 134 N CB . 17065 1 609 . 1 1 134 134 ASN N N 15 116.97 0.2 . 1 . . . . 134 N N . 17065 1 610 . 1 1 135 135 LEU H H 1 8.642 0.02 . 1 . . . . 135 L HN . 17065 1 611 . 1 1 135 135 LEU C C 13 180.215 0.2 . 1 . . . . 135 L C . 17065 1 612 . 1 1 135 135 LEU CA C 13 58.227 0.2 . 1 . . . . 135 L CA . 17065 1 613 . 1 1 135 135 LEU CB C 13 41.423 0.2 . 1 . . . . 135 L CB . 17065 1 614 . 1 1 135 135 LEU N N 15 120.994 0.2 . 1 . . . . 135 L N . 17065 1 615 . 1 1 136 136 LYS H H 1 9.053 0.02 . 1 . . . . 136 K HN . 17065 1 616 . 1 1 136 136 LYS C C 13 182.023 0.2 . 1 . . . . 136 K C . 17065 1 617 . 1 1 136 136 LYS CA C 13 60.103 0.2 . 1 . . . . 136 K CA . 17065 1 618 . 1 1 136 136 LYS CB C 13 32.661 0.2 . 1 . . . . 136 K CB . 17065 1 619 . 1 1 136 136 LYS N N 15 122.303 0.2 . 1 . . . . 136 K N . 17065 1 620 . 1 1 137 137 GLU H H 1 7.832 0.02 . 1 . . . . 137 E HN . 17065 1 621 . 1 1 137 137 GLU C C 13 177.886 0.2 . 1 . . . . 137 E C . 17065 1 622 . 1 1 137 137 GLU CA C 13 58.985 0.2 . 1 . . . . 137 E CA . 17065 1 623 . 1 1 137 137 GLU CB C 13 29.226 0.2 . 1 . . . . 137 E CB . 17065 1 624 . 1 1 137 137 GLU N N 15 120.271 0.2 . 1 . . . . 137 E N . 17065 1 625 . 1 1 138 138 GLN H H 1 7.504 0.02 . 1 . . . . 138 Q HN . 17065 1 626 . 1 1 138 138 GLN C C 13 176.207 0.2 . 1 . . . . 138 Q C . 17065 1 627 . 1 1 138 138 GLN CA C 13 55.46 0.2 . 1 . . . . 138 Q CA . 17065 1 628 . 1 1 138 138 GLN CB C 13 29.077 0.2 . 1 . . . . 138 Q CB . 17065 1 629 . 1 1 138 138 GLN N N 15 116.29 0.2 . 1 . . . . 138 Q N . 17065 1 630 . 1 1 139 139 GLY H H 1 7.88 0.02 . 1 . . . . 139 G HN . 17065 1 631 . 1 1 139 139 GLY C C 13 174.077 0.2 . 1 . . . . 139 G C . 17065 1 632 . 1 1 139 139 GLY CA C 13 45.3 0.2 . 1 . . . . 139 G CA . 17065 1 633 . 1 1 139 139 GLY N N 15 107.015 0.2 . 1 . . . . 139 G N . 17065 1 634 . 1 1 140 140 VAL H H 1 7.882 0.02 . 1 . . . . 140 V HN . 17065 1 635 . 1 1 140 140 VAL C C 13 175.961 0.2 . 1 . . . . 140 V C . 17065 1 636 . 1 1 140 140 VAL CA C 13 63.034 0.2 . 1 . . . . 140 V CA . 17065 1 637 . 1 1 140 140 VAL CB C 13 31.653 0.2 . 1 . . . . 140 V CB . 17065 1 638 . 1 1 140 140 VAL N N 15 123.194 0.2 . 1 . . . . 140 V N . 17065 1 639 . 1 1 141 141 THR H H 1 8.347 0.02 . 1 . . . . 141 T HN . 17065 1 640 . 1 1 141 141 THR C C 13 173.89 0.2 . 1 . . . . 141 T C . 17065 1 641 . 1 1 141 141 THR CA C 13 61.173 0.2 . 1 . . . . 141 T CA . 17065 1 642 . 1 1 141 141 THR CB C 13 69.994 0.2 . 1 . . . . 141 T CB . 17065 1 643 . 1 1 141 141 THR N N 15 119.955 0.2 . 1 . . . . 141 T N . 17065 1 644 . 1 1 142 142 PHE H H 1 8.898 0.02 . 1 . . . . 142 F HN . 17065 1 645 . 1 1 142 142 PHE CA C 13 55.813 0.2 . 1 . . . . 142 F CA . 17065 1 646 . 1 1 142 142 PHE CB C 13 41.323 0.2 . 1 . . . . 142 F CB . 17065 1 647 . 1 1 142 142 PHE N N 15 122.672 0.2 . 1 . . . . 142 F N . 17065 1 648 . 1 1 143 143 PRO CA C 13 62.355 0.2 . 1 . . . . 143 P CA . 17065 1 649 . 1 1 144 144 ALA H H 1 8.296 0.02 . 1 . . . . 144 A HN . 17065 1 650 . 1 1 144 144 ALA C C 13 177.81 0.2 . 1 . . . . 144 A C . 17065 1 651 . 1 1 144 144 ALA CA C 13 51.645 0.2 . 1 . . . . 144 A CA . 17065 1 652 . 1 1 144 144 ALA CB C 13 19.476 0.2 . 1 . . . . 144 A CB . 17065 1 653 . 1 1 144 144 ALA N N 15 122.643 0.2 . 1 . . . . 144 A N . 17065 1 654 . 1 1 145 145 ILE H H 1 8.163 0.02 . 1 . . . . 145 I HN . 17065 1 655 . 1 1 145 145 ILE C C 13 176.642 0.2 . 1 . . . . 145 I C . 17065 1 656 . 1 1 145 145 ILE CA C 13 61.333 0.2 . 1 . . . . 145 I CA . 17065 1 657 . 1 1 145 145 ILE CB C 13 39.013 0.2 . 1 . . . . 145 I CB . 17065 1 658 . 1 1 145 145 ILE N N 15 120.545 0.2 . 1 . . . . 145 I N . 17065 1 659 . 1 1 146 146 GLY H H 1 8.669 0.02 . 1 . . . . 146 G HN . 17065 1 660 . 1 1 146 146 GLY C C 13 174.58 0.2 . 1 . . . . 146 G C . 17065 1 661 . 1 1 146 146 GLY CA C 13 45.443 0.2 . 1 . . . . 146 G CA . 17065 1 662 . 1 1 146 146 GLY N N 15 113.499 0.2 . 1 . . . . 146 G N . 17065 1 663 . 1 1 147 147 SER H H 1 8.226 0.02 . 1 . . . . 147 S HN . 17065 1 664 . 1 1 147 147 SER C C 13 175.049 0.2 . 1 . . . . 147 S C . 17065 1 665 . 1 1 147 147 SER CA C 13 58.895 0.2 . 1 . . . . 147 S CA . 17065 1 666 . 1 1 147 147 SER CB C 13 63.828 0.2 . 1 . . . . 147 S CB . 17065 1 667 . 1 1 147 147 SER N N 15 115.845 0.2 . 1 . . . . 147 S N . 17065 1 668 . 1 1 148 148 GLN H H 1 8.506 0.02 . 1 . . . . 148 Q HN . 17065 1 669 . 1 1 148 148 GLN C C 13 176.188 0.2 . 1 . . . . 148 Q C . 17065 1 670 . 1 1 148 148 GLN CA C 13 56.407 0.2 . 1 . . . . 148 Q CA . 17065 1 671 . 1 1 148 148 GLN CB C 13 29.119 0.2 . 1 . . . . 148 Q CB . 17065 1 672 . 1 1 148 148 GLN N N 15 122.155 0.2 . 1 . . . . 148 Q N . 17065 1 673 . 1 1 149 149 ALA H H 1 8.194 0.02 . 1 . . . . 149 A HN . 17065 1 674 . 1 1 149 149 ALA C C 13 178.094 0.2 . 1 . . . . 149 A C . 17065 1 675 . 1 1 149 149 ALA CA C 13 53.161 0.2 . 1 . . . . 149 A CA . 17065 1 676 . 1 1 149 149 ALA CB C 13 18.938 0.2 . 1 . . . . 149 A CB . 17065 1 677 . 1 1 149 149 ALA N N 15 124.374 0.2 . 1 . . . . 149 A N . 17065 1 678 . 1 1 150 150 ALA H H 1 8.186 0.02 . 1 . . . . 150 A HN . 17065 1 679 . 1 1 150 150 ALA C C 13 178.352 0.2 . 1 . . . . 150 A C . 17065 1 680 . 1 1 150 150 ALA CA C 13 53.133 0.2 . 1 . . . . 150 A CA . 17065 1 681 . 1 1 150 150 ALA CB C 13 18.965 0.2 . 1 . . . . 150 A CB . 17065 1 682 . 1 1 150 150 ALA N N 15 122.709 0.2 . 1 . . . . 150 A N . 17065 1 683 . 1 1 151 151 GLU H H 1 8.228 0.02 . 1 . . . . 151 E HN . 17065 1 684 . 1 1 151 151 GLU CA C 13 57.179 0.2 . 1 . . . . 151 E CA . 17065 1 685 . 1 1 151 151 GLU CB C 13 30.054 0.2 . 1 . . . . 151 E CB . 17065 1 686 . 1 1 151 151 GLU N N 15 119.431 0.2 . 1 . . . . 151 E N . 17065 1 687 . 1 1 152 152 GLN H H 1 8.264 0.02 . 1 . . . . 152 Q HN . 17065 1 688 . 1 1 152 152 GLN C C 13 176.185 0.2 . 1 . . . . 152 Q C . 17065 1 689 . 1 1 152 152 GLN CA C 13 56.284 0.2 . 1 . . . . 152 Q CA . 17065 1 690 . 1 1 152 152 GLN CB C 13 29.275 0.2 . 1 . . . . 152 Q CB . 17065 1 691 . 1 1 152 152 GLN N N 15 120.676 0.2 . 1 . . . . 152 Q N . 17065 1 692 . 1 1 153 153 ALA H H 1 8.171 0.02 . 1 . . . . 153 A HN . 17065 1 693 . 1 1 153 153 ALA C C 13 177.801 0.2 . 1 . . . . 153 A C . 17065 1 694 . 1 1 153 153 ALA CA C 13 52.889 0.2 . 1 . . . . 153 A CA . 17065 1 695 . 1 1 153 153 ALA CB C 13 18.994 0.2 . 1 . . . . 153 A CB . 17065 1 696 . 1 1 153 153 ALA N N 15 124.333 0.2 . 1 . . . . 153 A N . 17065 1 697 . 1 1 154 154 LYS H H 1 8.042 0.02 . 1 . . . . 154 K HN . 17065 1 698 . 1 1 154 154 LYS C C 13 176.217 0.2 . 1 . . . . 154 K C . 17065 1 699 . 1 1 154 154 LYS CA C 13 56.292 0.2 . 1 . . . . 154 K CA . 17065 1 700 . 1 1 154 154 LYS CB C 13 33.117 0.2 . 1 . . . . 154 K CB . 17065 1 701 . 1 1 154 154 LYS N N 15 119.805 0.2 . 1 . . . . 154 K N . 17065 1 702 . 1 1 155 155 ALA H H 1 8.13 0.02 . 1 . . . . 155 A HN . 17065 1 703 . 1 1 155 155 ALA C C 13 177.391 0.2 . 1 . . . . 155 A C . 17065 1 704 . 1 1 155 155 ALA CA C 13 52.283 0.2 . 1 . . . . 155 A CA . 17065 1 705 . 1 1 155 155 ALA CB C 13 19.421 0.2 . 1 . . . . 155 A CB . 17065 1 706 . 1 1 155 155 ALA N N 15 124.691 0.2 . 1 . . . . 155 A N . 17065 1 707 . 1 1 156 156 SER H H 1 8.253 0.02 . 1 . . . . 156 S HN . 17065 1 708 . 1 1 156 156 SER CA C 13 56.378 0.2 . 1 . . . . 156 S CA . 17065 1 709 . 1 1 156 156 SER CB C 13 63.41 0.2 . 1 . . . . 156 S CB . 17065 1 710 . 1 1 156 156 SER N N 15 116.741 0.2 . 1 . . . . 156 S N . 17065 1 711 . 1 1 157 157 PRO C C 13 176.547 0.2 . 1 . . . . 157 P C . 17065 1 712 . 1 1 157 157 PRO CA C 13 63.393 0.2 . 1 . . . . 157 P CA . 17065 1 713 . 1 1 157 157 PRO CB C 13 32.037 0.2 . 1 . . . . 157 P CB . 17065 1 714 . 1 1 158 158 ALA H H 1 8.242 0.02 . 1 . . . . 158 A HN . 17065 1 715 . 1 1 158 158 ALA C C 13 177.614 0.2 . 1 . . . . 158 A C . 17065 1 716 . 1 1 158 158 ALA CA C 13 52.515 0.2 . 1 . . . . 158 A CA . 17065 1 717 . 1 1 158 158 ALA CB C 13 19.098 0.2 . 1 . . . . 158 A CB . 17065 1 718 . 1 1 158 158 ALA N N 15 123.516 0.2 . 1 . . . . 158 A N . 17065 1 719 . 1 1 159 159 LEU H H 1 8.108 0.02 . 1 . . . . 159 L HN . 17065 1 720 . 1 1 159 159 LEU C C 13 177.158 0.2 . 1 . . . . 159 L C . 17065 1 721 . 1 1 159 159 LEU CA C 13 55.166 0.2 . 1 . . . . 159 L CA . 17065 1 722 . 1 1 159 159 LEU CB C 13 42.361 0.2 . 1 . . . . 159 L CB . 17065 1 723 . 1 1 159 159 LEU N N 15 121.413 0.2 . 1 . . . . 159 L N . 17065 1 724 . 1 1 160 160 VAL H H 1 7.994 0.02 . 1 . . . . 160 V HN . 17065 1 725 . 1 1 160 160 VAL C C 13 175.572 0.2 . 1 . . . . 160 V C . 17065 1 726 . 1 1 160 160 VAL CA C 13 62.056 0.2 . 1 . . . . 160 V CA . 17065 1 727 . 1 1 160 160 VAL CB C 13 32.888 0.2 . 1 . . . . 160 V CB . 17065 1 728 . 1 1 160 160 VAL N N 15 121.31 0.2 . 1 . . . . 160 V N . 17065 1 729 . 1 1 161 161 ALA H H 1 8.326 0.02 . 1 . . . . 161 A HN . 17065 1 730 . 1 1 161 161 ALA C C 13 177.231 0.2 . 1 . . . . 161 A C . 17065 1 731 . 1 1 161 161 ALA CA C 13 52.321 0.2 . 1 . . . . 161 A CA . 17065 1 732 . 1 1 161 161 ALA CB C 13 19.323 0.2 . 1 . . . . 161 A CB . 17065 1 733 . 1 1 161 161 ALA N N 15 128.253 0.2 . 1 . . . . 161 A N . 17065 1 734 . 1 1 162 162 LYS H H 1 8.238 0.02 . 1 . . . . 162 K HN . 17065 1 735 . 1 1 162 162 LYS C C 13 175.943 0.2 . 1 . . . . 162 K C . 17065 1 736 . 1 1 162 162 LYS CA C 13 55.936 0.2 . 1 . . . . 162 K CA . 17065 1 737 . 1 1 162 162 LYS CB C 13 33.291 0.2 . 1 . . . . 162 K CB . 17065 1 738 . 1 1 162 162 LYS N N 15 121.078 0.2 . 1 . . . . 162 K N . 17065 1 739 . 1 1 163 163 ASP H H 1 8.386 0.02 . 1 . . . . 163 D HN . 17065 1 740 . 1 1 163 163 ASP CA C 13 52.303 0.2 . 1 . . . . 163 D CA . 17065 1 741 . 1 1 163 163 ASP CB C 13 41.441 0.2 . 1 . . . . 163 D CB . 17065 1 742 . 1 1 163 163 ASP N N 15 123.347 0.2 . 1 . . . . 163 D N . 17065 1 743 . 1 1 164 164 PRO C C 13 177.651 0.2 . 1 . . . . 164 P C . 17065 1 744 . 1 1 164 164 PRO CA C 13 63.873 0.2 . 1 . . . . 164 P CA . 17065 1 745 . 1 1 164 164 PRO CB C 13 32.097 0.2 . 1 . . . . 164 P CB . 17065 1 746 . 1 1 165 165 GLY H H 1 8.561 0.02 . 1 . . . . 165 G HN . 17065 1 747 . 1 1 165 165 GLY CA C 13 45.521 0.2 . 1 . . . . 165 G CA . 17065 1 748 . 1 1 165 165 GLY N N 15 108.312 0.2 . 1 . . . . 165 G N . 17065 1 749 . 1 1 166 166 THR H H 1 7.935 0.02 . 1 . . . . 166 T HN . 17065 1 750 . 1 1 166 166 THR C C 13 174.721 0.2 . 1 . . . . 166 T C . 17065 1 751 . 1 1 166 166 THR CA C 13 62.19 0.2 . 1 . . . . 166 T CA . 17065 1 752 . 1 1 166 166 THR CB C 13 69.869 0.2 . 1 . . . . 166 T CB . 17065 1 753 . 1 1 166 166 THR N N 15 112.547 0.2 . 1 . . . . 166 T N . 17065 1 754 . 1 1 167 167 VAL H H 1 8.096 0.02 . 1 . . . . 167 V HN . 17065 1 755 . 1 1 167 167 VAL C C 13 175.897 0.2 . 1 . . . . 167 V C . 17065 1 756 . 1 1 167 167 VAL CA C 13 62.463 0.2 . 1 . . . . 167 V CA . 17065 1 757 . 1 1 167 167 VAL CB C 13 32.71 0.2 . 1 . . . . 167 V CB . 17065 1 758 . 1 1 167 167 VAL N N 15 122.669 0.2 . 1 . . . . 167 V N . 17065 1 759 . 1 1 168 168 ALA H H 1 8.36 0.02 . 1 . . . . 168 A HN . 17065 1 760 . 1 1 168 168 ALA C C 13 177.47 0.2 . 1 . . . . 168 A C . 17065 1 761 . 1 1 168 168 ALA CA C 13 52.724 0.2 . 1 . . . . 168 A CA . 17065 1 762 . 1 1 168 168 ALA CB C 13 19.267 0.2 . 1 . . . . 168 A CB . 17065 1 763 . 1 1 168 168 ALA N N 15 127.32 0.2 . 1 . . . . 168 A N . 17065 1 764 . 1 1 169 169 ASN H H 1 8.349 0.02 . 1 . . . . 169 N HN . 17065 1 765 . 1 1 169 169 ASN C C 13 175.216 0.2 . 1 . . . . 169 N C . 17065 1 766 . 1 1 169 169 ASN CA C 13 53.202 0.2 . 1 . . . . 169 N CA . 17065 1 767 . 1 1 169 169 ASN CB C 13 38.911 0.2 . 1 . . . . 169 N CB . 17065 1 768 . 1 1 169 169 ASN N N 15 118.249 0.2 . 1 . . . . 169 N N . 17065 1 769 . 1 1 170 170 LYS H H 1 8.259 0.02 . 1 . . . . 170 K HN . 17065 1 770 . 1 1 170 170 LYS C C 13 176.828 0.2 . 1 . . . . 170 K C . 17065 1 771 . 1 1 170 170 LYS CA C 13 55.924 0.2 . 1 . . . . 170 K CA . 17065 1 772 . 1 1 170 170 LYS CB C 13 32.885 0.2 . 1 . . . . 170 K CB . 17065 1 773 . 1 1 170 170 LYS N N 15 122.139 0.2 . 1 . . . . 170 K N . 17065 1 774 . 1 1 171 171 LYS H H 1 8.349 0.02 . 1 . . . . 171 K HN . 17065 1 775 . 1 1 171 171 LYS C C 13 177.073 0.2 . 1 . . . . 171 K C . 17065 1 776 . 1 1 171 171 LYS CA C 13 57.178 0.2 . 1 . . . . 171 K CA . 17065 1 777 . 1 1 171 171 LYS CB C 13 32.748 0.2 . 1 . . . . 171 K CB . 17065 1 778 . 1 1 171 171 LYS N N 15 122.888 0.2 . 1 . . . . 171 K N . 17065 1 779 . 1 1 172 172 GLU H H 1 8.456 0.02 . 1 . . . . 172 E HN . 17065 1 780 . 1 1 172 172 GLU C C 13 177.55 0.2 . 1 . . . . 172 E C . 17065 1 781 . 1 1 172 172 GLU CA C 13 57.69 0.2 . 1 . . . . 172 E CA . 17065 1 782 . 1 1 172 172 GLU CB C 13 29.914 0.2 . 1 . . . . 172 E CB . 17065 1 783 . 1 1 172 172 GLU N N 15 121.249 0.2 . 1 . . . . 172 E N . 17065 1 784 . 1 1 173 173 GLU H H 1 8.326 0.02 . 1 . . . . 173 E HN . 17065 1 785 . 1 1 173 173 GLU C C 13 177.638 0.2 . 1 . . . . 173 E C . 17065 1 786 . 1 1 173 173 GLU CA C 13 57.79 0.2 . 1 . . . . 173 E CA . 17065 1 787 . 1 1 173 173 GLU CB C 13 30.003 0.2 . 1 . . . . 173 E CB . 17065 1 788 . 1 1 173 173 GLU N N 15 120.627 0.2 . 1 . . . . 173 E N . 17065 1 789 . 1 1 174 174 GLU H H 1 8.344 0.02 . 1 . . . . 174 E HN . 17065 1 790 . 1 1 174 174 GLU C C 13 177.2 0.2 . 1 . . . . 174 E C . 17065 1 791 . 1 1 174 174 GLU CA C 13 57.821 0.2 . 1 . . . . 174 E CA . 17065 1 792 . 1 1 174 174 GLU CB C 13 30.145 0.2 . 1 . . . . 174 E CB . 17065 1 793 . 1 1 174 174 GLU N N 15 121.704 0.2 . 1 . . . . 174 E N . 17065 1 794 . 1 1 175 175 ASP H H 1 8.435 0.02 . 1 . . . . 175 D HN . 17065 1 795 . 1 1 175 175 ASP C C 13 177.755 0.2 . 1 . . . . 175 D C . 17065 1 796 . 1 1 175 175 ASP CA C 13 55.514 0.2 . 1 . . . . 175 D CA . 17065 1 797 . 1 1 175 175 ASP CB C 13 40.665 0.2 . 1 . . . . 175 D CB . 17065 1 798 . 1 1 175 175 ASP N N 15 121.38 0.2 . 1 . . . . 175 D N . 17065 1 799 . 1 1 176 176 LEU H H 1 8.154 0.02 . 1 . . . . 176 L HN . 17065 1 800 . 1 1 176 176 LEU C C 13 178.134 0.2 . 1 . . . . 176 L C . 17065 1 801 . 1 1 176 176 LEU CA C 13 56.918 0.2 . 1 . . . . 176 L CA . 17065 1 802 . 1 1 176 176 LEU CB C 13 41.885 0.2 . 1 . . . . 176 L CB . 17065 1 803 . 1 1 176 176 LEU N N 15 123.366 0.2 . 1 . . . . 176 L N . 17065 1 804 . 1 1 177 177 ALA H H 1 8.06 0.02 . 1 . . . . 177 A HN . 17065 1 805 . 1 1 177 177 ALA C C 13 179.575 0.2 . 1 . . . . 177 A C . 17065 1 806 . 1 1 177 177 ALA CA C 13 54.195 0.2 . 1 . . . . 177 A CA . 17065 1 807 . 1 1 177 177 ALA CB C 13 18.382 0.2 . 1 . . . . 177 A CB . 17065 1 808 . 1 1 177 177 ALA N N 15 121.98 0.2 . 1 . . . . 177 A N . 17065 1 809 . 1 1 178 178 LYS H H 1 7.964 0.02 . 1 . . . . 178 K HN . 17065 1 810 . 1 1 178 178 LYS C C 13 177.474 0.2 . 1 . . . . 178 K C . 17065 1 811 . 1 1 178 178 LYS CA C 13 57.623 0.2 . 1 . . . . 178 K CA . 17065 1 812 . 1 1 178 178 LYS CB C 13 32.541 0.2 . 1 . . . . 178 K CB . 17065 1 813 . 1 1 178 178 LYS N N 15 119.021 0.2 . 1 . . . . 178 K N . 17065 1 814 . 1 1 179 179 ALA H H 1 7.953 0.02 . 1 . . . . 179 A HN . 17065 1 815 . 1 1 179 179 ALA C C 13 179.578 0.2 . 1 . . . . 179 A C . 17065 1 816 . 1 1 179 179 ALA CA C 13 54 0.2 . 1 . . . . 179 A CA . 17065 1 817 . 1 1 179 179 ALA CB C 13 18.542 0.2 . 1 . . . . 179 A CB . 17065 1 818 . 1 1 179 179 ALA N N 15 123.306 0.2 . 1 . . . . 179 A N . 17065 1 819 . 1 1 180 180 ILE H H 1 8.088 0.02 . 1 . . . . 180 I HN . 17065 1 820 . 1 1 180 180 ILE C C 13 177.508 0.2 . 1 . . . . 180 I C . 17065 1 821 . 1 1 180 180 ILE CA C 13 63.121 0.2 . 1 . . . . 180 I CA . 17065 1 822 . 1 1 180 180 ILE CB C 13 38.324 0.2 . 1 . . . . 180 I CB . 17065 1 823 . 1 1 180 180 ILE N N 15 119.991 0.2 . 1 . . . . 180 I N . 17065 1 824 . 1 1 181 181 GLU H H 1 8.177 0.02 . 1 . . . . 181 E HN . 17065 1 825 . 1 1 181 181 GLU C C 13 177.927 0.2 . 1 . . . . 181 E C . 17065 1 826 . 1 1 181 181 GLU CA C 13 58.287 0.2 . 1 . . . . 181 E CA . 17065 1 827 . 1 1 181 181 GLU CB C 13 29.857 0.2 . 1 . . . . 181 E CB . 17065 1 828 . 1 1 181 181 GLU N N 15 122.808 0.2 . 1 . . . . 181 E N . 17065 1 829 . 1 1 182 182 LEU H H 1 8.196 0.02 . 1 . . . . 182 L HN . 17065 1 830 . 1 1 182 182 LEU C C 13 178.431 0.2 . 1 . . . . 182 L C . 17065 1 831 . 1 1 182 182 LEU CA C 13 56.649 0.2 . 1 . . . . 182 L CA . 17065 1 832 . 1 1 182 182 LEU CB C 13 42.082 0.2 . 1 . . . . 182 L CB . 17065 1 833 . 1 1 182 182 LEU N N 15 121.13 0.2 . 1 . . . . 182 L N . 17065 1 834 . 1 1 183 183 SER H H 1 8.085 0.02 . 1 . . . . 183 S HN . 17065 1 835 . 1 1 183 183 SER C C 13 175.467 0.2 . 1 . . . . 183 S C . 17065 1 836 . 1 1 183 183 SER CA C 13 59.881 0.2 . 1 . . . . 183 S CA . 17065 1 837 . 1 1 183 183 SER CB C 13 63.414 0.2 . 1 . . . . 183 S CB . 17065 1 838 . 1 1 183 183 SER N N 15 115.733 0.2 . 1 . . . . 183 S N . 17065 1 839 . 1 1 184 184 LEU H H 1 8.019 0.02 . 1 . . . . 184 L HN . 17065 1 840 . 1 1 184 184 LEU C C 13 178.296 0.2 . 1 . . . . 184 L C . 17065 1 841 . 1 1 184 184 LEU CA C 13 56.23 0.2 . 1 . . . . 184 L CA . 17065 1 842 . 1 1 184 184 LEU CB C 13 42.076 0.2 . 1 . . . . 184 L CB . 17065 1 843 . 1 1 184 184 LEU N N 15 122.732 0.2 . 1 . . . . 184 L N . 17065 1 844 . 1 1 185 185 LYS H H 1 7.978 0.02 . 1 . . . . 185 K HN . 17065 1 845 . 1 1 185 185 LYS C C 13 177.383 0.2 . 1 . . . . 185 K C . 17065 1 846 . 1 1 185 185 LYS CA C 13 57.612 0.2 . 1 . . . . 185 K CA . 17065 1 847 . 1 1 185 185 LYS CB C 13 32.842 0.2 . 1 . . . . 185 K CB . 17065 1 848 . 1 1 185 185 LYS N N 15 120.318 0.2 . 1 . . . . 185 K N . 17065 1 849 . 1 1 186 186 GLU H H 1 8.129 0.02 . 1 . . . . 186 E HN . 17065 1 850 . 1 1 186 186 GLU C C 13 176.936 0.2 . 1 . . . . 186 E C . 17065 1 851 . 1 1 186 186 GLU CA C 13 57.284 0.2 . 1 . . . . 186 E CA . 17065 1 852 . 1 1 186 186 GLU CB C 13 30.125 0.2 . 1 . . . . 186 E CB . 17065 1 853 . 1 1 186 186 GLU N N 15 119.973 0.2 . 1 . . . . 186 E N . 17065 1 854 . 1 1 187 187 GLN H H 1 8.185 0.02 . 1 . . . . 187 Q HN . 17065 1 855 . 1 1 187 187 GLN C C 13 176.238 0.2 . 1 . . . . 187 Q C . 17065 1 856 . 1 1 187 187 GLN CA C 13 56.324 0.2 . 1 . . . . 187 Q CA . 17065 1 857 . 1 1 187 187 GLN CB C 13 29.323 0.2 . 1 . . . . 187 Q CB . 17065 1 858 . 1 1 187 187 GLN N N 15 120.498 0.2 . 1 . . . . 187 Q N . 17065 1 859 . 1 1 188 188 ARG H H 1 8.228 0.02 . 1 . . . . 188 R HN . 17065 1 860 . 1 1 188 188 ARG C C 13 176.25 0.2 . 1 . . . . 188 R C . 17065 1 861 . 1 1 188 188 ARG CA C 13 56.205 0.2 . 1 . . . . 188 R CA . 17065 1 862 . 1 1 188 188 ARG CB C 13 30.813 0.2 . 1 . . . . 188 R CB . 17065 1 863 . 1 1 188 188 ARG N N 15 121.429 0.2 . 1 . . . . 188 R N . 17065 1 864 . 1 1 189 189 GLN H H 1 8.373 0.02 . 1 . . . . 189 Q HN . 17065 1 865 . 1 1 189 189 GLN C C 13 175.832 0.2 . 1 . . . . 189 Q C . 17065 1 866 . 1 1 189 189 GLN CA C 13 56.104 0.2 . 1 . . . . 189 Q CA . 17065 1 867 . 1 1 189 189 GLN CB C 13 29.367 0.2 . 1 . . . . 189 Q CB . 17065 1 868 . 1 1 189 189 GLN N N 15 121.319 0.2 . 1 . . . . 189 Q N . 17065 1 869 . 1 1 190 190 GLN H H 1 8.408 0.02 . 1 . . . . 190 Q HN . 17065 1 870 . 1 1 190 190 GLN C C 13 175.075 0.2 . 1 . . . . 190 Q C . 17065 1 871 . 1 1 190 190 GLN CA C 13 55.955 0.2 . 1 . . . . 190 Q CA . 17065 1 872 . 1 1 190 190 GLN CB C 13 29.668 0.2 . 1 . . . . 190 Q CB . 17065 1 873 . 1 1 190 190 GLN N N 15 122.121 0.2 . 1 . . . . 190 Q N . 17065 1 874 . 1 1 191 191 SER H H 1 8.038 0.02 . 1 . . . . 191 S HN . 17065 1 875 . 1 1 191 191 SER CA C 13 60.087 0.2 . 1 . . . . 191 S CA . 17065 1 876 . 1 1 191 191 SER CB C 13 64.846 0.2 . 1 . . . . 191 S CB . 17065 1 877 . 1 1 191 191 SER N N 15 123.2 0.2 . 1 . . . . 191 S N . 17065 1 stop_ save_