data_15726 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15726 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for La NTD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-14 _Entry.Accession_date 2008-04-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _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 Maria Conte . R. . 15726 2 Domenico Sanfelice . . . 15726 3 Geoff Kelly . . . 15726 4 Stephen Curry . . . 15726 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Conte's group; King's College London' . 15726 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15726 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 479 15726 '15N chemical shifts' 172 15726 '1H chemical shifts' 323 15726 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 . . 2009-08-14 2008-04-14 update BMRB 'added PubMed ID' 15726 1 . . 2008-11-11 2008-04-14 original author 'original release' 15726 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15727 'assignment of the N-terminal region of human La protein in complex with RNA' 15726 BMRB 5719 'Full assignment of the central RRM of La protein' 15726 BMRB 6044 'Full assignment of La motif of La protein' 15726 stop_ save_ ############### # Citations # ############### save_La_NTD_apo_and_with_U4 _Citation.Sf_category citations _Citation.Sf_framecode La_NTD_apo_and_with_U4 _Citation.Entry_ID 15726 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636881 _Citation.Full_citation . _Citation.Title 'NMR assignment of the N-terminal region of human La free and in complex with RNA' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _Citation.Journal_issue 2 _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 107 _Citation.Page_last 109 _Citation.Year 2008 _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 Domenico Sanfelice . . . 15726 1 2 Geoff Kelly . . . 15726 1 3 Stephen Curry . . . 15726 1 4 Maria Conte . R. . 15726 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15726 _Assembly.ID 1 _Assembly.Name 'La NTD apo' _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 'La NTD' 1 $La_protein A . yes native no no . . . 15726 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_La_protein _Entity.Sf_category entity _Entity.Sf_framecode La_protein _Entity.Entry_ID 15726 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name La_protein _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 ; MAENGDNEKMAALEAKICHQ IEYYFGDFNLPRDKFLKEQI KLDEGWVPLEIMIKFNRLNR LTTDFNVIVEALSKSKAELM EISEDKTKIRRSPSKPLPEV TDEYKNDVKNRSVYIKGFPT DATLDDIKEWLEDKGQVLNI QMRRTLHKAFKGSIFVVFDS IESAKKFVETPGQKYKETDL LILFKDDYFAKKNEVDS ; _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 197 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'La NTD' _Entity.Mutation 'Mutations at the last three residues' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15727 . La_protein . . . . . 100.00 197 100.00 100.00 4.59e-140 . . . . 15726 1 2 no BMRB 17878 . human_La_protein . . . . . 96.95 322 100.00 100.00 8.42e-135 . . . . 15726 1 3 no PDB 1S7A . "Nmr Structure Of The La Motif Of Human La Protein" . . . . . 52.28 103 100.00 100.00 7.41e-67 . . . . 15726 1 4 no PDB 1YTY . "Structural Basis For Recognition Of Uuuoh 3'-Terminii Of Nascent Rna Pol Iii Transcripts By La Autoantigen" . . . . . 97.97 194 97.93 97.93 1.21e-132 . . . . 15726 1 5 no PDB 1ZH5 . "Structural Basis For Recognition Of Uuuoh 3'-Terminii Of Nascent Rna Pol Iii Transcripts By La Autoantigen" . . . . . 97.97 195 97.93 97.93 9.82e-133 . . . . 15726 1 6 no PDB 2VOD . "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auauuuu" . . . . . 97.97 193 98.96 98.96 1.54e-135 . . . . 15726 1 7 no PDB 2VON . "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auaauuu" . . . . . 97.97 193 98.96 98.96 1.54e-135 . . . . 15726 1 8 no PDB 2VOO . "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Uuuuuuuu" . . . . . 97.97 193 98.96 98.96 1.54e-135 . . . . 15726 1 9 no PDB 2VOP . "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auuuu" . . . . . 97.97 193 98.96 98.96 1.54e-135 . . . . 15726 1 10 no DBJ BAE87871 . "unnamed protein product [Macaca fascicularis]" . . . . . 98.48 405 99.48 99.48 3.79e-135 . . . . 15726 1 11 no DBJ BAE87890 . "unnamed protein product [Macaca fascicularis]" . . . . . 98.48 405 99.48 99.48 3.79e-135 . . . . 15726 1 12 no DBJ BAG70042 . "autoantigen La [Homo sapiens]" . . . . . 98.48 408 100.00 100.00 1.25e-136 . . . . 15726 1 13 no DBJ BAG70165 . "autoantigen La [Homo sapiens]" . . . . . 98.48 408 100.00 100.00 1.12e-136 . . . . 15726 1 14 no DBJ BAI45822 . "Sjogren syndrome antigen B [synthetic construct]" . . . . . 98.48 408 100.00 100.00 1.25e-136 . . . . 15726 1 15 no EMBL CAA31985 . "unnamed protein product [Homo sapiens]" . . . . . 98.48 408 100.00 100.00 1.25e-136 . . . . 15726 1 16 no EMBL CAA31986 . "unnamed protein product [Bos taurus]" . . . . . 98.48 404 96.91 98.45 4.87e-133 . . . . 15726 1 17 no GB AAA36577 . "ribonucleoprotein La, partial [Homo sapiens]" . . . . . 71.07 355 100.00 100.00 1.92e-92 . . . . 15726 1 18 no GB AAA51885 . "La protein [Homo sapiens]" . . . . . 98.48 408 100.00 100.00 1.25e-136 . . . . 15726 1 19 no GB AAH01289 . "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" . . . . . 98.48 408 100.00 100.00 1.25e-136 . . . . 15726 1 20 no GB AAH20818 . "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" . . . . . 98.48 408 100.00 100.00 1.25e-136 . . . . 15726 1 21 no GB AAI03235 . "Sjogren syndrome antigen B (autoantigen La) [Bos taurus]" . . . . . 98.48 404 97.42 98.45 1.14e-133 . . . . 15726 1 22 no REF NP_001267347 . "lupus La protein [Pan troglodytes]" . . . . . 98.48 408 99.48 99.48 1.79e-135 . . . . 15726 1 23 no REF NP_001270975 . "Sjogren syndrome antigen B (autoantigen La) [Macaca fascicularis]" . . . . . 98.48 405 99.48 99.48 3.79e-135 . . . . 15726 1 24 no REF NP_001281074 . "lupus La protein [Homo sapiens]" . . . . . 98.48 408 100.00 100.00 1.25e-136 . . . . 15726 1 25 no REF NP_001296114 . "Sjogren syndrome antigen B (autoantigen La) [Equus caballus]" . . . . . 98.48 405 98.45 99.48 7.77e-135 . . . . 15726 1 26 no REF NP_003133 . "lupus La protein [Homo sapiens]" . . . . . 98.48 408 100.00 100.00 1.25e-136 . . . . 15726 1 27 no SP P05455 . "RecName: Full=Lupus La protein; AltName: Full=La autoantigen; AltName: Full=La ribonucleoprotein; AltName: Full=Sjoegren syndro" . . . . . 98.48 408 100.00 100.00 1.25e-136 . . . . 15726 1 28 no SP P10881 . "RecName: Full=Lupus La protein homolog; AltName: Full=La autoantigen homolog; AltName: Full=La ribonucleoprotein" . . . . . 98.48 404 97.42 98.45 1.14e-133 . . . . 15726 1 29 no TPG DAA32804 . "TPA: lupus La protein homolog [Bos taurus]" . . . . . 98.48 404 97.42 98.45 1.14e-133 . . . . 15726 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 . 15726 1 2 . ALA . 15726 1 3 . GLU . 15726 1 4 . ASN . 15726 1 5 . GLY . 15726 1 6 . ASP . 15726 1 7 . ASN . 15726 1 8 . GLU . 15726 1 9 . LYS . 15726 1 10 . MET . 15726 1 11 . ALA . 15726 1 12 . ALA . 15726 1 13 . LEU . 15726 1 14 . GLU . 15726 1 15 . ALA . 15726 1 16 . LYS . 15726 1 17 . ILE . 15726 1 18 . CYS . 15726 1 19 . HIS . 15726 1 20 . GLN . 15726 1 21 . ILE . 15726 1 22 . GLU . 15726 1 23 . TYR . 15726 1 24 . TYR . 15726 1 25 . PHE . 15726 1 26 . GLY . 15726 1 27 . ASP . 15726 1 28 . PHE . 15726 1 29 . ASN . 15726 1 30 . LEU . 15726 1 31 . PRO . 15726 1 32 . ARG . 15726 1 33 . ASP . 15726 1 34 . LYS . 15726 1 35 . PHE . 15726 1 36 . LEU . 15726 1 37 . LYS . 15726 1 38 . GLU . 15726 1 39 . GLN . 15726 1 40 . ILE . 15726 1 41 . LYS . 15726 1 42 . LEU . 15726 1 43 . ASP . 15726 1 44 . GLU . 15726 1 45 . GLY . 15726 1 46 . TRP . 15726 1 47 . VAL . 15726 1 48 . PRO . 15726 1 49 . LEU . 15726 1 50 . GLU . 15726 1 51 . ILE . 15726 1 52 . MET . 15726 1 53 . ILE . 15726 1 54 . LYS . 15726 1 55 . PHE . 15726 1 56 . ASN . 15726 1 57 . ARG . 15726 1 58 . LEU . 15726 1 59 . ASN . 15726 1 60 . ARG . 15726 1 61 . LEU . 15726 1 62 . THR . 15726 1 63 . THR . 15726 1 64 . ASP . 15726 1 65 . PHE . 15726 1 66 . ASN . 15726 1 67 . VAL . 15726 1 68 . ILE . 15726 1 69 . VAL . 15726 1 70 . GLU . 15726 1 71 . ALA . 15726 1 72 . LEU . 15726 1 73 . SER . 15726 1 74 . LYS . 15726 1 75 . SER . 15726 1 76 . LYS . 15726 1 77 . ALA . 15726 1 78 . GLU . 15726 1 79 . LEU . 15726 1 80 . MET . 15726 1 81 . GLU . 15726 1 82 . ILE . 15726 1 83 . SER . 15726 1 84 . GLU . 15726 1 85 . ASP . 15726 1 86 . LYS . 15726 1 87 . THR . 15726 1 88 . LYS . 15726 1 89 . ILE . 15726 1 90 . ARG . 15726 1 91 . ARG . 15726 1 92 . SER . 15726 1 93 . PRO . 15726 1 94 . SER . 15726 1 95 . LYS . 15726 1 96 . PRO . 15726 1 97 . LEU . 15726 1 98 . PRO . 15726 1 99 . GLU . 15726 1 100 . VAL . 15726 1 101 . THR . 15726 1 102 . ASP . 15726 1 103 . GLU . 15726 1 104 . TYR . 15726 1 105 . LYS . 15726 1 106 . ASN . 15726 1 107 . ASP . 15726 1 108 . VAL . 15726 1 109 . LYS . 15726 1 110 . ASN . 15726 1 111 . ARG . 15726 1 112 . SER . 15726 1 113 . VAL . 15726 1 114 . TYR . 15726 1 115 . ILE . 15726 1 116 . LYS . 15726 1 117 . GLY . 15726 1 118 . PHE . 15726 1 119 . PRO . 15726 1 120 . THR . 15726 1 121 . ASP . 15726 1 122 . ALA . 15726 1 123 . THR . 15726 1 124 . LEU . 15726 1 125 . ASP . 15726 1 126 . ASP . 15726 1 127 . ILE . 15726 1 128 . LYS . 15726 1 129 . GLU . 15726 1 130 . TRP . 15726 1 131 . LEU . 15726 1 132 . GLU . 15726 1 133 . ASP . 15726 1 134 . LYS . 15726 1 135 . GLY . 15726 1 136 . GLN . 15726 1 137 . VAL . 15726 1 138 . LEU . 15726 1 139 . ASN . 15726 1 140 . ILE . 15726 1 141 . GLN . 15726 1 142 . MET . 15726 1 143 . ARG . 15726 1 144 . ARG . 15726 1 145 . THR . 15726 1 146 . LEU . 15726 1 147 . HIS . 15726 1 148 . LYS . 15726 1 149 . ALA . 15726 1 150 . PHE . 15726 1 151 . LYS . 15726 1 152 . GLY . 15726 1 153 . SER . 15726 1 154 . ILE . 15726 1 155 . PHE . 15726 1 156 . VAL . 15726 1 157 . VAL . 15726 1 158 . PHE . 15726 1 159 . ASP . 15726 1 160 . SER . 15726 1 161 . ILE . 15726 1 162 . GLU . 15726 1 163 . SER . 15726 1 164 . ALA . 15726 1 165 . LYS . 15726 1 166 . LYS . 15726 1 167 . PHE . 15726 1 168 . VAL . 15726 1 169 . GLU . 15726 1 170 . THR . 15726 1 171 . PRO . 15726 1 172 . GLY . 15726 1 173 . GLN . 15726 1 174 . LYS . 15726 1 175 . TYR . 15726 1 176 . LYS . 15726 1 177 . GLU . 15726 1 178 . THR . 15726 1 179 . ASP . 15726 1 180 . LEU . 15726 1 181 . LEU . 15726 1 182 . ILE . 15726 1 183 . LEU . 15726 1 184 . PHE . 15726 1 185 . LYS . 15726 1 186 . ASP . 15726 1 187 . ASP . 15726 1 188 . TYR . 15726 1 189 . PHE . 15726 1 190 . ALA . 15726 1 191 . LYS . 15726 1 192 . LYS . 15726 1 193 . ASN . 15726 1 194 . GLU . 15726 1 195 . VAL . 15726 1 196 . ASP . 15726 1 197 . SER . 15726 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 15726 1 . ALA 2 2 15726 1 . GLU 3 3 15726 1 . ASN 4 4 15726 1 . GLY 5 5 15726 1 . ASP 6 6 15726 1 . ASN 7 7 15726 1 . GLU 8 8 15726 1 . LYS 9 9 15726 1 . MET 10 10 15726 1 . ALA 11 11 15726 1 . ALA 12 12 15726 1 . LEU 13 13 15726 1 . GLU 14 14 15726 1 . ALA 15 15 15726 1 . LYS 16 16 15726 1 . ILE 17 17 15726 1 . CYS 18 18 15726 1 . HIS 19 19 15726 1 . GLN 20 20 15726 1 . ILE 21 21 15726 1 . GLU 22 22 15726 1 . TYR 23 23 15726 1 . TYR 24 24 15726 1 . PHE 25 25 15726 1 . GLY 26 26 15726 1 . ASP 27 27 15726 1 . PHE 28 28 15726 1 . ASN 29 29 15726 1 . LEU 30 30 15726 1 . PRO 31 31 15726 1 . ARG 32 32 15726 1 . ASP 33 33 15726 1 . LYS 34 34 15726 1 . PHE 35 35 15726 1 . LEU 36 36 15726 1 . LYS 37 37 15726 1 . GLU 38 38 15726 1 . GLN 39 39 15726 1 . ILE 40 40 15726 1 . LYS 41 41 15726 1 . LEU 42 42 15726 1 . ASP 43 43 15726 1 . GLU 44 44 15726 1 . GLY 45 45 15726 1 . TRP 46 46 15726 1 . VAL 47 47 15726 1 . PRO 48 48 15726 1 . LEU 49 49 15726 1 . GLU 50 50 15726 1 . ILE 51 51 15726 1 . MET 52 52 15726 1 . ILE 53 53 15726 1 . LYS 54 54 15726 1 . PHE 55 55 15726 1 . ASN 56 56 15726 1 . ARG 57 57 15726 1 . LEU 58 58 15726 1 . ASN 59 59 15726 1 . ARG 60 60 15726 1 . LEU 61 61 15726 1 . THR 62 62 15726 1 . THR 63 63 15726 1 . ASP 64 64 15726 1 . PHE 65 65 15726 1 . ASN 66 66 15726 1 . VAL 67 67 15726 1 . ILE 68 68 15726 1 . VAL 69 69 15726 1 . GLU 70 70 15726 1 . ALA 71 71 15726 1 . LEU 72 72 15726 1 . SER 73 73 15726 1 . LYS 74 74 15726 1 . SER 75 75 15726 1 . LYS 76 76 15726 1 . ALA 77 77 15726 1 . GLU 78 78 15726 1 . LEU 79 79 15726 1 . MET 80 80 15726 1 . GLU 81 81 15726 1 . ILE 82 82 15726 1 . SER 83 83 15726 1 . GLU 84 84 15726 1 . ASP 85 85 15726 1 . LYS 86 86 15726 1 . THR 87 87 15726 1 . LYS 88 88 15726 1 . ILE 89 89 15726 1 . ARG 90 90 15726 1 . ARG 91 91 15726 1 . SER 92 92 15726 1 . PRO 93 93 15726 1 . SER 94 94 15726 1 . LYS 95 95 15726 1 . PRO 96 96 15726 1 . LEU 97 97 15726 1 . PRO 98 98 15726 1 . GLU 99 99 15726 1 . VAL 100 100 15726 1 . THR 101 101 15726 1 . ASP 102 102 15726 1 . GLU 103 103 15726 1 . TYR 104 104 15726 1 . LYS 105 105 15726 1 . ASN 106 106 15726 1 . ASP 107 107 15726 1 . VAL 108 108 15726 1 . LYS 109 109 15726 1 . ASN 110 110 15726 1 . ARG 111 111 15726 1 . SER 112 112 15726 1 . VAL 113 113 15726 1 . TYR 114 114 15726 1 . ILE 115 115 15726 1 . LYS 116 116 15726 1 . GLY 117 117 15726 1 . PHE 118 118 15726 1 . PRO 119 119 15726 1 . THR 120 120 15726 1 . ASP 121 121 15726 1 . ALA 122 122 15726 1 . THR 123 123 15726 1 . LEU 124 124 15726 1 . ASP 125 125 15726 1 . ASP 126 126 15726 1 . ILE 127 127 15726 1 . LYS 128 128 15726 1 . GLU 129 129 15726 1 . TRP 130 130 15726 1 . LEU 131 131 15726 1 . GLU 132 132 15726 1 . ASP 133 133 15726 1 . LYS 134 134 15726 1 . GLY 135 135 15726 1 . GLN 136 136 15726 1 . VAL 137 137 15726 1 . LEU 138 138 15726 1 . ASN 139 139 15726 1 . ILE 140 140 15726 1 . GLN 141 141 15726 1 . MET 142 142 15726 1 . ARG 143 143 15726 1 . ARG 144 144 15726 1 . THR 145 145 15726 1 . LEU 146 146 15726 1 . HIS 147 147 15726 1 . LYS 148 148 15726 1 . ALA 149 149 15726 1 . PHE 150 150 15726 1 . LYS 151 151 15726 1 . GLY 152 152 15726 1 . SER 153 153 15726 1 . ILE 154 154 15726 1 . PHE 155 155 15726 1 . VAL 156 156 15726 1 . VAL 157 157 15726 1 . PHE 158 158 15726 1 . ASP 159 159 15726 1 . SER 160 160 15726 1 . ILE 161 161 15726 1 . GLU 162 162 15726 1 . SER 163 163 15726 1 . ALA 164 164 15726 1 . LYS 165 165 15726 1 . LYS 166 166 15726 1 . PHE 167 167 15726 1 . VAL 168 168 15726 1 . GLU 169 169 15726 1 . THR 170 170 15726 1 . PRO 171 171 15726 1 . GLY 172 172 15726 1 . GLN 173 173 15726 1 . LYS 174 174 15726 1 . TYR 175 175 15726 1 . LYS 176 176 15726 1 . GLU 177 177 15726 1 . THR 178 178 15726 1 . ASP 179 179 15726 1 . LEU 180 180 15726 1 . LEU 181 181 15726 1 . ILE 182 182 15726 1 . LEU 183 183 15726 1 . PHE 184 184 15726 1 . LYS 185 185 15726 1 . ASP 186 186 15726 1 . ASP 187 187 15726 1 . TYR 188 188 15726 1 . PHE 189 189 15726 1 . ALA 190 190 15726 1 . LYS 191 191 15726 1 . LYS 192 192 15726 1 . ASN 193 193 15726 1 . GLU 194 194 15726 1 . VAL 195 195 15726 1 . ASP 196 196 15726 1 . SER 197 197 15726 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 15726 _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 $La_protein . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15726 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 15726 _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 $La_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET3a . . . . . . 15726 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15726 _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 'La protein' '[U-100% 13C; U-100% 15N]' . . 1 $La_protein . . 0.2-0.3 . . mM . . . . 15726 1 2 Tris-HCl . . . . . . . 20 . . mM . . . . 15726 1 3 KCl . . . . . . . 100 . . mM . . . . 15726 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 15726 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM Tris-HCl, 100 mM KCl, 1 mM DTT, pH 7' 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' 120 . mM 15726 1 pH 7 . pH 15726 1 pressure 1 . atm 15726 1 temperature 293 . K 15726 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15726 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15726 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15726 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15726 _Software.ID 2 _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' . . 15726 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15726 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15726 _Software.ID 3 _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' . . 15726 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15726 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15726 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15726 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15726 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15726 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15726 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15726 5 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 15726 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15726 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15726 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15726 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15726 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 15726 1 2 spectrometer_2 Bruker Avance . 700 . . . 15726 1 3 spectrometer_3 Varian INOVA . 600 . . . 15726 1 4 spectrometer_4 Varian INOVA . 800 . . . 15726 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 15726 _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 . . . . . . . . . . . . . . . . . . . . . 15726 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15726 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15726 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15726 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15726 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15726 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15726 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15726 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15726 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 15726 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15726 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15726 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15726 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 15726 _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' . . . 15726 1 2 '2D 1H-13C HSQC' . . . 15726 1 3 '3D CBCA(CO)NH' . . . 15726 1 4 '3D 1H-13C NOESY' . . . 15726 1 5 '3D HNCA' . . . 15726 1 6 '3D HNCACB' . . . 15726 1 7 '3D 1H-15N NOESY' . . . 15726 1 8 '3D HN(CO)CA' . . . 15726 1 9 '3D HNCO' . . . 15726 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 3 3 GLU H H 1 8.443 0.030 . 1 . . . . 3 E HN . 15726 1 2 . 1 1 3 3 GLU C C 13 176.208 0.030 . 1 . . . . 3 E C . 15726 1 3 . 1 1 3 3 GLU CA C 13 56.413 0.030 . 1 . . . . 3 E CA . 15726 1 4 . 1 1 3 3 GLU CB C 13 30.094 0.030 . 1 . . . . 3 E CB . 15726 1 5 . 1 1 3 3 GLU N N 15 120.89 0.030 . 1 . . . . 3 E N . 15726 1 6 . 1 1 4 4 ASN H H 1 8.702 0.030 . 1 . . . . 4 N HN . 15726 1 7 . 1 1 4 4 ASN C C 13 175.825 0.030 . 1 . . . . 4 N C . 15726 1 8 . 1 1 4 4 ASN CA C 13 53.53 0.030 . 1 . . . . 4 N CA . 15726 1 9 . 1 1 4 4 ASN CB C 13 38.847 0.030 . 1 . . . . 4 N CB . 15726 1 10 . 1 1 4 4 ASN N N 15 119.89 0.030 . 1 . . . . 4 N N . 15726 1 11 . 1 1 5 5 GLY H H 1 8.519 0.030 . 1 . . . . 5 G HN . 15726 1 12 . 1 1 5 5 GLY C C 13 174.527 0.030 . 1 . . . . 5 G C . 15726 1 13 . 1 1 5 5 GLY CA C 13 45.678 0.030 . 1 . . . . 5 G CA . 15726 1 14 . 1 1 5 5 GLY N N 15 109.64 0.030 . 1 . . . . 5 G N . 15726 1 15 . 1 1 6 6 ASP H H 1 8.327 0.030 . 1 . . . . 6 D HN . 15726 1 16 . 1 1 6 6 ASP HA H 1 4.602 0.030 . 1 . . . . 6 D HA . 15726 1 17 . 1 1 6 6 ASP C C 13 177.068 0.030 . 1 . . . . 6 D C . 15726 1 18 . 1 1 6 6 ASP CA C 13 55.097 0.030 . 1 . . . . 6 D CA . 15726 1 19 . 1 1 6 6 ASP CB C 13 40.792 0.030 . 1 . . . . 6 D CB . 15726 1 20 . 1 1 6 6 ASP N N 15 120.89 0.030 . 1 . . . . 6 D N . 15726 1 21 . 1 1 7 7 ASN H H 1 8.567 0.030 . 1 . . . . 7 N HN . 15726 1 22 . 1 1 7 7 ASN HA H 1 4.605 0.030 . 1 . . . . 7 N HA . 15726 1 23 . 1 1 7 7 ASN C C 13 176.754 0.030 . 1 . . . . 7 N C . 15726 1 24 . 1 1 7 7 ASN CA C 13 54.748 0.030 . 1 . . . . 7 N CA . 15726 1 25 . 1 1 7 7 ASN CB C 13 38.43 0.030 . 1 . . . . 7 N CB . 15726 1 26 . 1 1 7 7 ASN N N 15 119.64 0.030 . 1 . . . . 7 N N . 15726 1 27 . 1 1 8 8 GLU H H 1 8.491 0.030 . 1 . . . . 8 E HN . 15726 1 28 . 1 1 8 8 GLU C C 13 178.457 0.030 . 1 . . . . 8 E C . 15726 1 29 . 1 1 8 8 GLU CA C 13 58.809 0.030 . 1 . . . . 8 E CA . 15726 1 30 . 1 1 8 8 GLU CB C 13 29.677 0.030 . 1 . . . . 8 E CB . 15726 1 31 . 1 1 8 8 GLU N N 15 121.64 0.030 . 1 . . . . 8 E N . 15726 1 32 . 1 1 9 9 LYS H H 1 8.197 0.030 . 1 . . . . 9 K HN . 15726 1 33 . 1 1 9 9 LYS C C 13 179.07 0.030 . 1 . . . . 9 K C . 15726 1 34 . 1 1 9 9 LYS CA C 13 58.857 0.030 . 1 . . . . 9 K CA . 15726 1 35 . 1 1 9 9 LYS CB C 13 32.456 0.030 . 1 . . . . 9 K CB . 15726 1 36 . 1 1 9 9 LYS N N 15 121.14 0.030 . 1 . . . . 9 K N . 15726 1 37 . 1 1 10 10 MET H H 1 8.231 0.030 . 1 . . . . 10 M HN . 15726 1 38 . 1 1 10 10 MET HA H 1 4.491 0.030 . 1 . . . . 10 M HA . 15726 1 39 . 1 1 10 10 MET C C 13 177.654 0.030 . 1 . . . . 10 M C . 15726 1 40 . 1 1 10 10 MET CA C 13 56.764 0.030 . 1 . . . . 10 M CA . 15726 1 41 . 1 1 10 10 MET CB C 13 31.831 0.030 . 1 . . . . 10 M CB . 15726 1 42 . 1 1 10 10 MET N N 15 120.39 0.030 . 1 . . . . 10 M N . 15726 1 43 . 1 1 11 11 ALA H H 1 8.276 0.030 . 1 . . . . 11 A HN . 15726 1 44 . 1 1 11 11 ALA HA H 1 4.281 0.030 . 1 . . . . 11 A HA . 15726 1 45 . 1 1 11 11 ALA C C 13 176.607 0.030 . 1 . . . . 11 A C . 15726 1 46 . 1 1 11 11 ALA CA C 13 54.864 0.030 . 1 . . . . 11 A CA . 15726 1 47 . 1 1 11 11 ALA CB C 13 17.937 0.030 . 1 . . . . 11 A CB . 15726 1 48 . 1 1 11 11 ALA N N 15 123.14 0.030 . 1 . . . . 11 A N . 15726 1 49 . 1 1 12 12 ALA H H 1 8.033 0.030 . 1 . . . . 12 A HN . 15726 1 50 . 1 1 12 12 ALA HA H 1 4.244 0.030 . 1 . . . . 12 A HA . 15726 1 51 . 1 1 12 12 ALA CA C 13 57.449 0.030 . 1 . . . . 12 A CA . 15726 1 52 . 1 1 12 12 ALA CB C 13 17.659 0.030 . 1 . . . . 12 A CB . 15726 1 53 . 1 1 12 12 ALA N N 15 121.39 0.030 . 1 . . . . 12 A N . 15726 1 54 . 1 1 13 13 LEU C C 13 179.004 0.030 . 1 . . . . 13 L C . 15726 1 55 . 1 1 14 14 GLU H H 1 8.542 0.030 . 1 . . . . 14 E HN . 15726 1 56 . 1 1 14 14 GLU HA H 1 3.773 0.030 . 1 . . . . 14 E HA . 15726 1 57 . 1 1 14 14 GLU C C 13 178.457 0.030 . 1 . . . . 14 E C . 15726 1 58 . 1 1 14 14 GLU CA C 13 60.213 0.030 . 1 . . . . 14 E CA . 15726 1 59 . 1 1 14 14 GLU CB C 13 29.26 0.030 . 1 . . . . 14 E CB . 15726 1 60 . 1 1 14 14 GLU N N 15 117.14 0.030 . 1 . . . . 14 E N . 15726 1 61 . 1 1 15 15 ALA H H 1 7.95 0.030 . 1 . . . . 15 A HN . 15726 1 62 . 1 1 15 15 ALA HA H 1 4.178 0.030 . 1 . . . . 15 A HA . 15726 1 63 . 1 1 15 15 ALA C C 13 180.56 0.030 . 1 . . . . 15 A C . 15726 1 64 . 1 1 15 15 ALA CA C 13 55.136 0.030 . 1 . . . . 15 A CA . 15726 1 65 . 1 1 15 15 ALA CB C 13 18.006 0.030 . 1 . . . . 15 A CB . 15726 1 66 . 1 1 15 15 ALA N N 15 121.14 0.030 . 1 . . . . 15 A N . 15726 1 67 . 1 1 16 16 LYS H H 1 7.768 0.030 . 1 . . . . 16 K HN . 15726 1 68 . 1 1 16 16 LYS HA H 1 4.125 0.030 . 1 . . . . 16 K HA . 15726 1 69 . 1 1 16 16 LYS C C 13 179.926 0.030 . 1 . . . . 16 K C . 15726 1 70 . 1 1 16 16 LYS CA C 13 57.854 0.030 . 1 . . . . 16 K CA . 15726 1 71 . 1 1 16 16 LYS N N 15 118.89 0.030 . 1 . . . . 16 K N . 15726 1 72 . 1 1 17 17 ILE H H 1 8.519 0.030 . 1 . . . . 17 I HN . 15726 1 73 . 1 1 17 17 ILE HA H 1 3.462 0.030 . 1 . . . . 17 I HA . 15726 1 74 . 1 1 17 17 ILE CA C 13 65.963 0.030 . 1 . . . . 17 I CA . 15726 1 75 . 1 1 17 17 ILE N N 15 120.89 0.030 . 1 . . . . 17 I N . 15726 1 76 . 1 1 18 18 CYS C C 13 176.739 0.030 . 1 . . . . 18 C C . 15726 1 77 . 1 1 18 18 CYS CA C 13 64.551 0.030 . 1 . . . . 18 C CA . 15726 1 78 . 1 1 18 18 CYS CB C 13 25.579 0.030 . 1 . . . . 18 C CB . 15726 1 79 . 1 1 19 19 HIS H H 1 8.368 0.030 . 1 . . . . 19 H HN . 15726 1 80 . 1 1 19 19 HIS CA C 13 54.386 0.030 . 1 . . . . 19 H CA . 15726 1 81 . 1 1 19 19 HIS N N 15 116.64 0.030 . 1 . . . . 19 H N . 15726 1 82 . 1 1 20 20 GLN HA H 1 4.032 0.030 . 1 . . . . 20 Q HA . 15726 1 83 . 1 1 20 20 GLN C C 13 177.993 0.030 . 1 . . . . 20 Q C . 15726 1 84 . 1 1 20 20 GLN CA C 13 57.674 0.030 . 1 . . . . 20 Q CA . 15726 1 85 . 1 1 20 20 GLN CB C 13 28.844 0.030 . 1 . . . . 20 Q CB . 15726 1 86 . 1 1 21 21 ILE H H 1 8.377 0.030 . 1 . . . . 21 I HN . 15726 1 87 . 1 1 21 21 ILE C C 13 177.256 0.030 . 1 . . . . 21 I C . 15726 1 88 . 1 1 21 21 ILE CA C 13 66.548 0.030 . 1 . . . . 21 I CA . 15726 1 89 . 1 1 21 21 ILE N N 15 119.14 0.030 . 1 . . . . 21 I N . 15726 1 90 . 1 1 22 22 GLU H H 1 8.894 0.030 . 1 . . . . 22 E HN . 15726 1 91 . 1 1 22 22 GLU HA H 1 3.863 0.030 . 1 . . . . 22 E HA . 15726 1 92 . 1 1 22 22 GLU C C 13 178.76 0.030 . 1 . . . . 22 E C . 15726 1 93 . 1 1 22 22 GLU CA C 13 59.07 0.030 . 1 . . . . 22 E CA . 15726 1 94 . 1 1 22 22 GLU N N 15 117.39 0.030 . 1 . . . . 22 E N . 15726 1 95 . 1 1 23 23 TYR H H 1 7.708 0.030 . 1 . . . . 23 Y HN . 15726 1 96 . 1 1 23 23 TYR HA H 1 4.191 0.030 . 1 . . . . 23 Y HA . 15726 1 97 . 1 1 23 23 TYR C C 13 179.306 0.030 . 1 . . . . 23 Y C . 15726 1 98 . 1 1 23 23 TYR CA C 13 61.503 0.030 . 1 . . . . 23 Y CA . 15726 1 99 . 1 1 23 23 TYR N N 15 119.39 0.030 . 1 . . . . 23 Y N . 15726 1 100 . 1 1 24 24 TYR H H 1 8.113 0.030 . 1 . . . . 24 Y HN . 15726 1 101 . 1 1 24 24 TYR HA H 1 4.178 0.030 . 1 . . . . 24 Y HA . 15726 1 102 . 1 1 24 24 TYR C C 13 177.138 0.030 . 1 . . . . 24 Y C . 15726 1 103 . 1 1 24 24 TYR CA C 13 60.467 0.030 . 1 . . . . 24 Y CA . 15726 1 104 . 1 1 24 24 TYR CB C 13 37.527 0.030 . 1 . . . . 24 Y CB . 15726 1 105 . 1 1 24 24 TYR N N 15 120.89 0.030 . 1 . . . . 24 Y N . 15726 1 106 . 1 1 25 25 PHE H H 1 7.71 0.030 . 1 . . . . 25 F HN . 15726 1 107 . 1 1 25 25 PHE HA H 1 4.456 0.030 . 1 . . . . 25 F HA . 15726 1 108 . 1 1 25 25 PHE C C 13 173.641 0.030 . 1 . . . . 25 F C . 15726 1 109 . 1 1 25 25 PHE CA C 13 58.663 0.030 . 1 . . . . 25 F CA . 15726 1 110 . 1 1 25 25 PHE CB C 13 39.334 0.030 . 1 . . . . 25 F CB . 15726 1 111 . 1 1 25 25 PHE N N 15 111.64 0.030 . 1 . . . . 25 F N . 15726 1 112 . 1 1 26 26 GLY H H 1 7.359 0.030 . 1 . . . . 26 G HN . 15726 1 113 . 1 1 26 26 GLY HA2 H 1 4.006 0.030 . 2 . . . . 26 G HA1 . 15726 1 114 . 1 1 26 26 GLY HA3 H 1 4.006 0.030 . 2 . . . . 26 G HA2 . 15726 1 115 . 1 1 26 26 GLY C C 13 172.845 0.030 . 1 . . . . 26 G C . 15726 1 116 . 1 1 26 26 GLY CA C 13 45.291 0.030 . 1 . . . . 26 G CA . 15726 1 117 . 1 1 26 26 GLY N N 15 108.14 0.030 . 1 . . . . 26 G N . 15726 1 118 . 1 1 27 27 ASP H H 1 8.545 0.030 . 1 . . . . 27 D HN . 15726 1 119 . 1 1 27 27 ASP HA H 1 4.032 0.030 . 1 . . . . 27 D HA . 15726 1 120 . 1 1 27 27 ASP C C 13 176.194 0.030 . 1 . . . . 27 D C . 15726 1 121 . 1 1 27 27 ASP CA C 13 56.57 0.030 . 1 . . . . 27 D CA . 15726 1 122 . 1 1 27 27 ASP CB C 13 40.376 0.030 . 1 . . . . 27 D CB . 15726 1 123 . 1 1 27 27 ASP N N 15 115.39 0.030 . 1 . . . . 27 D N . 15726 1 124 . 1 1 28 28 PHE H H 1 7.661 0.030 . 1 . . . . 28 F HN . 15726 1 125 . 1 1 28 28 PHE HA H 1 4.417 0.030 . 1 . . . . 28 F HA . 15726 1 126 . 1 1 28 28 PHE CA C 13 59.593 0.030 . 1 . . . . 28 F CA . 15726 1 127 . 1 1 28 28 PHE CB C 13 39.611 0.030 . 1 . . . . 28 F CB . 15726 1 128 . 1 1 28 28 PHE N N 15 116.39 0.030 . 1 . . . . 28 F N . 15726 1 129 . 1 1 29 29 ASN H H 1 8.826 0.030 . 1 . . . . 29 N HN . 15726 1 130 . 1 1 29 29 ASN HA H 1 4.006 0.030 . 1 . . . . 29 N HA . 15726 1 131 . 1 1 29 29 ASN C C 13 176.68 0.030 . 1 . . . . 29 N C . 15726 1 132 . 1 1 29 29 ASN CA C 13 57.539 0.030 . 1 . . . . 29 N CA . 15726 1 133 . 1 1 29 29 ASN CB C 13 41.001 0.030 . 1 . . . . 29 N CB . 15726 1 134 . 1 1 29 29 ASN N N 15 116.39 0.030 . 1 . . . . 29 N N . 15726 1 135 . 1 1 30 30 LEU H H 1 7.891 0.030 . 1 . . . . 30 L HN . 15726 1 136 . 1 1 30 30 LEU HA H 1 4.165 0.030 . 1 . . . . 30 L HA . 15726 1 137 . 1 1 30 30 LEU CA C 13 60.834 0.030 . 1 . . . . 30 L CA . 15726 1 138 . 1 1 30 30 LEU N N 15 118.89 0.030 . 1 . . . . 30 L N . 15726 1 139 . 1 1 31 31 PRO C C 13 177.241 0.030 . 1 . . . . 31 P C . 15726 1 140 . 1 1 31 31 PRO CA C 13 65.037 0.030 . 1 . . . . 31 P CA . 15726 1 141 . 1 1 31 31 PRO CB C 13 31.831 0.030 . 1 . . . . 31 P CB . 15726 1 142 . 1 1 32 32 ARG H H 1 7.174 0.030 . 1 . . . . 32 R HN . 15726 1 143 . 1 1 32 32 ARG HA H 1 4.324 0.030 . 1 . . . . 32 R HA . 15726 1 144 . 1 1 32 32 ARG C C 13 175.264 0.030 . 1 . . . . 32 R C . 15726 1 145 . 1 1 32 32 ARG CA C 13 55.106 0.030 . 1 . . . . 32 R CA . 15726 1 146 . 1 1 32 32 ARG CB C 13 31.692 0.030 . 1 . . . . 32 R CB . 15726 1 147 . 1 1 32 32 ARG N N 15 113.64 0.030 . 1 . . . . 32 R N . 15726 1 148 . 1 1 33 33 ASP H H 1 7.496 0.030 . 1 . . . . 33 D HN . 15726 1 149 . 1 1 33 33 ASP HA H 1 4.642 0.030 . 1 . . . . 33 D HA . 15726 1 150 . 1 1 33 33 ASP C C 13 174.718 0.030 . 1 . . . . 33 D C . 15726 1 151 . 1 1 33 33 ASP CA C 13 53.575 0.030 . 1 . . . . 33 D CA . 15726 1 152 . 1 1 33 33 ASP CB C 13 41.418 0.030 . 1 . . . . 33 D CB . 15726 1 153 . 1 1 33 33 ASP N N 15 124.14 0.030 . 1 . . . . 33 D N . 15726 1 154 . 1 1 34 34 LYS H H 1 8.517 0.030 . 1 . . . . 34 K HN . 15726 1 155 . 1 1 34 34 LYS HA H 1 3.82 0.030 . 1 . . . . 34 K HA . 15726 1 156 . 1 1 34 34 LYS C C 13 178.191 0.030 . 1 . . . . 34 K C . 15726 1 157 . 1 1 34 34 LYS CA C 13 59.989 0.030 . 1 . . . . 34 K CA . 15726 1 158 . 1 1 34 34 LYS CB C 13 32.734 0.030 . 1 . . . . 34 K CB . 15726 1 159 . 1 1 34 34 LYS N N 15 125.39 0.030 . 1 . . . . 34 K N . 15726 1 160 . 1 1 35 35 PHE H H 1 8.196 0.030 . 1 . . . . 35 F HN . 15726 1 161 . 1 1 35 35 PHE HA H 1 4.443 0.030 . 1 . . . . 35 F HA . 15726 1 162 . 1 1 35 35 PHE C C 13 178.229 0.030 . 1 . . . . 35 F C . 15726 1 163 . 1 1 35 35 PHE CA C 13 60.613 0.030 . 1 . . . . 35 F CA . 15726 1 164 . 1 1 35 35 PHE CB C 13 39.542 0.030 . 1 . . . . 35 F CB . 15726 1 165 . 1 1 35 35 PHE N N 15 118.14 0.030 . 1 . . . . 35 F N . 15726 1 166 . 1 1 36 36 LEU H H 1 8.616 0.030 . 1 . . . . 36 L HN . 15726 1 167 . 1 1 36 36 LEU HA H 1 3.719 0.030 . 1 . . . . 36 L HA . 15726 1 168 . 1 1 36 36 LEU C C 13 178.583 0.030 . 1 . . . . 36 L C . 15726 1 169 . 1 1 36 36 LEU CA C 13 57.602 0.030 . 1 . . . . 36 L CA . 15726 1 170 . 1 1 36 36 LEU CB C 13 41.765 0.030 . 1 . . . . 36 L CB . 15726 1 171 . 1 1 36 36 LEU N N 15 121.89 0.030 . 1 . . . . 36 L N . 15726 1 172 . 1 1 37 37 LYS H H 1 8.733 0.030 . 1 . . . . 37 K HN . 15726 1 173 . 1 1 37 37 LYS HA H 1 3.78 0.030 . 1 . . . . 37 K HA . 15726 1 174 . 1 1 37 37 LYS C C 13 178.746 0.030 . 1 . . . . 37 K C . 15726 1 175 . 1 1 37 37 LYS CA C 13 60.209 0.030 . 1 . . . . 37 K CA . 15726 1 176 . 1 1 37 37 LYS CB C 13 31.553 0.030 . 1 . . . . 37 K CB . 15726 1 177 . 1 1 37 37 LYS N N 15 117.39 0.030 . 1 . . . . 37 K N . 15726 1 178 . 1 1 38 38 GLU H H 1 7.18 0.030 . 1 . . . . 38 E HN . 15726 1 179 . 1 1 38 38 GLU HA H 1 4.112 0.030 . 1 . . . . 38 E HA . 15726 1 180 . 1 1 38 38 GLU C C 13 179.601 0.030 . 1 . . . . 38 E C . 15726 1 181 . 1 1 38 38 GLU CA C 13 58.08 0.030 . 1 . . . . 38 E CA . 15726 1 182 . 1 1 38 38 GLU CB C 13 29.121 0.030 . 1 . . . . 38 E CB . 15726 1 183 . 1 1 38 38 GLU N N 15 115.89 0.030 . 1 . . . . 38 E N . 15726 1 184 . 1 1 39 39 GLN H H 1 7.76 0.030 . 1 . . . . 39 Q HN . 15726 1 185 . 1 1 39 39 GLN HA H 1 3.847 0.030 . 1 . . . . 39 Q HA . 15726 1 186 . 1 1 39 39 GLN C C 13 180.708 0.030 . 1 . . . . 39 Q C . 15726 1 187 . 1 1 39 39 GLN CA C 13 57.786 0.030 . 1 . . . . 39 Q CA . 15726 1 188 . 1 1 39 39 GLN CB C 13 28.149 0.030 . 1 . . . . 39 Q CB . 15726 1 189 . 1 1 39 39 GLN N N 15 118.39 0.030 . 1 . . . . 39 Q N . 15726 1 190 . 1 1 40 40 ILE H H 1 8.277 0.030 . 1 . . . . 40 I HN . 15726 1 191 . 1 1 40 40 ILE HA H 1 4.045 0.030 . 1 . . . . 40 I HA . 15726 1 192 . 1 1 40 40 ILE C C 13 175.559 0.030 . 1 . . . . 40 I C . 15726 1 193 . 1 1 40 40 ILE CA C 13 64.611 0.030 . 1 . . . . 40 I CA . 15726 1 194 . 1 1 40 40 ILE N N 15 114.14 0.030 . 1 . . . . 40 I N . 15726 1 195 . 1 1 41 41 LYS H H 1 7.028 0.030 . 1 . . . . 41 K HN . 15726 1 196 . 1 1 41 41 LYS HA H 1 4.271 0.030 . 1 . . . . 41 K HA . 15726 1 197 . 1 1 41 41 LYS C C 13 178.510 0.030 . 1 . . . . 41 K C . 15726 1 198 . 1 1 41 41 LYS CA C 13 57.162 0.030 . 1 . . . . 41 K CA . 15726 1 199 . 1 1 41 41 LYS CB C 13 33.359 0.030 . 1 . . . . 41 K CB . 15726 1 200 . 1 1 41 41 LYS N N 15 118.14 0.030 . 1 . . . . 41 K N . 15726 1 201 . 1 1 42 42 LEU H H 1 7.099 0.030 . 1 . . . . 42 L HN . 15726 1 202 . 1 1 42 42 LEU HA H 1 4.112 0.030 . 1 . . . . 42 L HA . 15726 1 203 . 1 1 42 42 LEU C C 13 177.182 0.030 . 1 . . . . 42 L C . 15726 1 204 . 1 1 42 42 LEU CA C 13 57.492 0.030 . 1 . . . . 42 L CA . 15726 1 205 . 1 1 42 42 LEU CB C 13 42.599 0.030 . 1 . . . . 42 L CB . 15726 1 206 . 1 1 42 42 LEU N N 15 117.89 0.030 . 1 . . . . 42 L N . 15726 1 207 . 1 1 43 43 ASP H H 1 9.411 0.030 . 1 . . . . 43 D HN . 15726 1 208 . 1 1 43 43 ASP HA H 1 4.894 0.030 . 1 . . . . 43 D HA . 15726 1 209 . 1 1 43 43 ASP C C 13 174.689 0.030 . 1 . . . . 43 D C . 15726 1 210 . 1 1 43 43 ASP CA C 13 53.196 0.030 . 1 . . . . 43 D CA . 15726 1 211 . 1 1 43 43 ASP CB C 13 41.001 0.030 . 1 . . . . 43 D CB . 15726 1 212 . 1 1 43 43 ASP N N 15 121.14 0.030 . 1 . . . . 43 D N . 15726 1 213 . 1 1 44 44 GLU H H 1 8.965 0.030 . 1 . . . . 44 E HN . 15726 1 214 . 1 1 44 44 GLU HA H 1 3.807 0.030 . 1 . . . . 44 E HA . 15726 1 215 . 1 1 44 44 GLU C C 13 175.161 0.030 . 1 . . . . 44 E C . 15726 1 216 . 1 1 44 44 GLU CA C 13 57.125 0.030 . 1 . . . . 44 E CA . 15726 1 217 . 1 1 44 44 GLU CB C 13 28.01 0.030 . 1 . . . . 44 E CB . 15726 1 218 . 1 1 44 44 GLU N N 15 114.14 0.030 . 1 . . . . 44 E N . 15726 1 219 . 1 1 45 45 GLY H H 1 7.504 0.030 . 1 . . . . 45 G HN . 15726 1 220 . 1 1 45 45 GLY HA2 H 1 3.78 0.030 . 2 . . . . 45 G HA1 . 15726 1 221 . 1 1 45 45 GLY HA3 H 1 3.78 0.030 . 2 . . . . 45 G HA2 . 15726 1 222 . 1 1 45 45 GLY C C 13 173.774 0.030 . 1 . . . . 45 G C . 15726 1 223 . 1 1 45 45 GLY CA C 13 45.705 0.030 . 1 . . . . 45 G CA . 15726 1 224 . 1 1 45 45 GLY N N 15 106.89 0.030 . 1 . . . . 45 G N . 15726 1 225 . 1 1 46 46 TRP H H 1 7.691 0.030 . 1 . . . . 46 W HN . 15726 1 226 . 1 1 46 46 TRP HA H 1 4.523 0.030 . 1 . . . . 46 W HA . 15726 1 227 . 1 1 46 46 TRP C C 13 177.669 0.030 . 1 . . . . 46 W C . 15726 1 228 . 1 1 46 46 TRP CA C 13 57.314 0.030 . 1 . . . . 46 W CA . 15726 1 229 . 1 1 46 46 TRP CB C 13 30.302 0.030 . 1 . . . . 46 W CB . 15726 1 230 . 1 1 46 46 TRP N N 15 117.89 0.030 . 1 . . . . 46 W N . 15726 1 231 . 1 1 47 47 VAL H H 1 10.158 0.030 . 1 . . . . 47 V HN . 15726 1 232 . 1 1 47 47 VAL HA H 1 4.801 0.030 . 1 . . . . 47 V HA . 15726 1 233 . 1 1 47 47 VAL CA C 13 59.438 0.030 . 1 . . . . 47 V CA . 15726 1 234 . 1 1 47 47 VAL N N 15 125.64 0.030 . 1 . . . . 47 V N . 15726 1 235 . 1 1 48 48 PRO C C 13 178.937 0.030 . 1 . . . . 48 P C . 15726 1 236 . 1 1 49 49 LEU H H 1 8.892 0.030 . 1 . . . . 49 L HN . 15726 1 237 . 1 1 49 49 LEU HA H 1 3.714 0.030 . 1 . . . . 49 L HA . 15726 1 238 . 1 1 49 49 LEU C C 13 177.89 0.030 . 1 . . . . 49 L C . 15726 1 239 . 1 1 49 49 LEU CA C 13 58.04 0.030 . 1 . . . . 49 L CA . 15726 1 240 . 1 1 49 49 LEU CB C 13 39.889 0.030 . 1 . . . . 49 L CB . 15726 1 241 . 1 1 49 49 LEU N N 15 127.14 0.030 . 1 . . . . 49 L N . 15726 1 242 . 1 1 50 50 GLU H H 1 8.825 0.030 . 1 . . . . 50 E HN . 15726 1 243 . 1 1 50 50 GLU HA H 1 4.13 0.030 . 1 . . . . 50 E HA . 15726 1 244 . 1 1 50 50 GLU C C 13 177.477 0.030 . 1 . . . . 50 E C . 15726 1 245 . 1 1 50 50 GLU CA C 13 59.475 0.030 . 1 . . . . 50 E CA . 15726 1 246 . 1 1 50 50 GLU CB C 13 29.816 0.030 . 1 . . . . 50 E CB . 15726 1 247 . 1 1 50 50 GLU N N 15 116.64 0.030 . 1 . . . . 50 E N . 15726 1 248 . 1 1 51 51 ILE H H 1 7.107 0.030 . 1 . . . . 51 I HN . 15726 1 249 . 1 1 51 51 ILE HA H 1 3.979 0.030 . 1 . . . . 51 I HA . 15726 1 250 . 1 1 51 51 ILE C C 13 177.993 0.030 . 1 . . . . 51 I C . 15726 1 251 . 1 1 51 51 ILE CA C 13 62.076 0.030 . 1 . . . . 51 I CA . 15726 1 252 . 1 1 51 51 ILE CB C 13 36.833 0.030 . 1 . . . . 51 I CB . 15726 1 253 . 1 1 51 51 ILE N N 15 116.64 0.030 . 1 . . . . 51 I N . 15726 1 254 . 1 1 52 52 MET H H 1 7.421 0.030 . 1 . . . . 52 M HN . 15726 1 255 . 1 1 52 52 MET HA H 1 4.375 0.030 . 1 . . . . 52 M HA . 15726 1 256 . 1 1 52 52 MET C C 13 178.5 0.030 . 1 . . . . 52 M C . 15726 1 257 . 1 1 52 52 MET CA C 13 55.349 0.030 . 1 . . . . 52 M CA . 15726 1 258 . 1 1 52 52 MET CB C 13 28.705 0.030 . 1 . . . . 52 M CB . 15726 1 259 . 1 1 52 52 MET N N 15 117.39 0.030 . 1 . . . . 52 M N . 15726 1 260 . 1 1 53 53 ILE H H 1 8.088 0.030 . 1 . . . . 53 I HN . 15726 1 261 . 1 1 53 53 ILE HA H 1 4.244 0.030 . 1 . . . . 53 I HA . 15726 1 262 . 1 1 53 53 ILE C C 13 176.253 0.030 . 1 . . . . 53 I C . 15726 1 263 . 1 1 53 53 ILE CA C 13 62.899 0.030 . 1 . . . . 53 I CA . 15726 1 264 . 1 1 53 53 ILE CB C 13 38.5 0.030 . 1 . . . . 53 I CB . 15726 1 265 . 1 1 53 53 ILE N N 15 109.64 0.030 . 1 . . . . 53 I N . 15726 1 266 . 1 1 54 54 LYS H H 1 7.662 0.030 . 1 . . . . 54 K HN . 15726 1 267 . 1 1 54 54 LYS HA H 1 4.231 0.030 . 1 . . . . 54 K HA . 15726 1 268 . 1 1 54 54 LYS C C 13 174.881 0.030 . 1 . . . . 54 K C . 15726 1 269 . 1 1 54 54 LYS CA C 13 56.47 0.030 . 1 . . . . 54 K CA . 15726 1 270 . 1 1 54 54 LYS CB C 13 27.385 0.030 . 1 . . . . 54 K CB . 15726 1 271 . 1 1 54 54 LYS N N 15 120.39 0.030 . 1 . . . . 54 K N . 15726 1 272 . 1 1 55 55 PHE H H 1 7.901 0.030 . 1 . . . . 55 F HN . 15726 1 273 . 1 1 55 55 PHE CA C 13 56.694 0.030 . 1 . . . . 55 F CA . 15726 1 274 . 1 1 55 55 PHE N N 15 120.14 0.030 . 1 . . . . 55 F N . 15726 1 275 . 1 1 57 57 ARG C C 13 177.447 0.030 . 1 . . . . 57 R C . 15726 1 276 . 1 1 58 58 LEU H H 1 7.532 0.030 . 1 . . . . 58 L HN . 15726 1 277 . 1 1 58 58 LEU C C 13 177.3 0.030 . 1 . . . . 58 L C . 15726 1 278 . 1 1 58 58 LEU CA C 13 56.233 0.030 . 1 . . . . 58 L CA . 15726 1 279 . 1 1 58 58 LEU CB C 13 43.71 0.030 . 1 . . . . 58 L CB . 15726 1 280 . 1 1 58 58 LEU N N 15 115.64 0.030 . 1 . . . . 58 L N . 15726 1 281 . 1 1 59 59 ASN H H 1 8.561 0.030 . 1 . . . . 59 N HN . 15726 1 282 . 1 1 59 59 ASN HA H 1 4.589 0.030 . 1 . . . . 59 N HA . 15726 1 283 . 1 1 59 59 ASN C C 13 176.961 0.030 . 1 . . . . 59 N C . 15726 1 284 . 1 1 59 59 ASN CA C 13 55.557 0.030 . 1 . . . . 59 N CA . 15726 1 285 . 1 1 59 59 ASN N N 15 116.89 0.030 . 1 . . . . 59 N N . 15726 1 286 . 1 1 60 60 ARG H H 1 7.661 0.030 . 1 . . . . 60 R HN . 15726 1 287 . 1 1 60 60 ARG HA H 1 4.218 0.030 . 1 . . . . 60 R HA . 15726 1 288 . 1 1 60 60 ARG C C 13 177.064 0.030 . 1 . . . . 60 R C . 15726 1 289 . 1 1 60 60 ARG CA C 13 57.179 0.030 . 1 . . . . 60 R CA . 15726 1 290 . 1 1 60 60 ARG CB C 13 29.955 0.030 . 1 . . . . 60 R CB . 15726 1 291 . 1 1 60 60 ARG N N 15 115.64 0.030 . 1 . . . . 60 R N . 15726 1 292 . 1 1 61 61 LEU H H 1 7.962 0.030 . 1 . . . . 61 L HN . 15726 1 293 . 1 1 61 61 LEU HA H 1 4.35 0.030 . 1 . . . . 61 L HA . 15726 1 294 . 1 1 61 61 LEU CA C 13 56.156 0.030 . 1 . . . . 61 L CA . 15726 1 295 . 1 1 61 61 LEU CB C 13 42.112 0.030 . 1 . . . . 61 L CB . 15726 1 296 . 1 1 61 61 LEU N N 15 120.14 0.030 . 1 . . . . 61 L N . 15726 1 297 . 1 1 62 62 THR H H 1 7.882 0.030 . 1 . . . . 62 T HN . 15726 1 298 . 1 1 62 62 THR HA H 1 4.549 0.030 . 1 . . . . 62 T HA . 15726 1 299 . 1 1 62 62 THR C C 13 170.278 0.030 . 1 . . . . 62 T C . 15726 1 300 . 1 1 62 62 THR CA C 13 61.851 0.030 . 1 . . . . 62 T CA . 15726 1 301 . 1 1 62 62 THR CB C 13 67.608 0.030 . 1 . . . . 62 T CB . 15726 1 302 . 1 1 62 62 THR N N 15 111.64 0.030 . 1 . . . . 62 T N . 15726 1 303 . 1 1 63 63 THR H H 1 7.912 0.030 . 1 . . . . 63 T HN . 15726 1 304 . 1 1 63 63 THR HA H 1 4.549 0.030 . 1 . . . . 63 T HA . 15726 1 305 . 1 1 63 63 THR C C 13 173.125 0.030 . 1 . . . . 63 T C . 15726 1 306 . 1 1 63 63 THR CA C 13 60.327 0.030 . 1 . . . . 63 T CA . 15726 1 307 . 1 1 63 63 THR CB C 13 69.136 0.030 . 1 . . . . 63 T CB . 15726 1 308 . 1 1 63 63 THR N N 15 110.64 0.030 . 1 . . . . 63 T N . 15726 1 309 . 1 1 64 64 ASP H H 1 8.729 0.030 . 1 . . . . 64 D HN . 15726 1 310 . 1 1 64 64 ASP HA H 1 4.576 0.030 . 1 . . . . 64 D HA . 15726 1 311 . 1 1 64 64 ASP C C 13 176.916 0.030 . 1 . . . . 64 D C . 15726 1 312 . 1 1 64 64 ASP CA C 13 53.51 0.030 . 1 . . . . 64 D CA . 15726 1 313 . 1 1 64 64 ASP CB C 13 42.182 0.030 . 1 . . . . 64 D CB . 15726 1 314 . 1 1 64 64 ASP N N 15 124.89 0.030 . 1 . . . . 64 D N . 15726 1 315 . 1 1 65 65 PHE H H 1 8.98 0.030 . 1 . . . . 65 F HN . 15726 1 316 . 1 1 65 65 PHE HA H 1 4.284 0.030 . 1 . . . . 65 F HA . 15726 1 317 . 1 1 65 65 PHE C C 13 177.949 0.030 . 1 . . . . 65 F C . 15726 1 318 . 1 1 65 65 PHE CA C 13 58.578 0.030 . 1 . . . . 65 F CA . 15726 1 319 . 1 1 65 65 PHE CB C 13 37.597 0.030 . 1 . . . . 65 F CB . 15726 1 320 . 1 1 65 65 PHE N N 15 126.64 0.030 . 1 . . . . 65 F N . 15726 1 321 . 1 1 66 66 ASN H H 1 8.495 0.030 . 1 . . . . 66 N HN . 15726 1 322 . 1 1 66 66 ASN HA H 1 4.47 0.030 . 1 . . . . 66 N HA . 15726 1 323 . 1 1 66 66 ASN C C 13 178.023 0.030 . 1 . . . . 66 N C . 15726 1 324 . 1 1 66 66 ASN CA C 13 56.515 0.030 . 1 . . . . 66 N CA . 15726 1 325 . 1 1 66 66 ASN CB C 13 38.222 0.030 . 1 . . . . 66 N CB . 15726 1 326 . 1 1 66 66 ASN N N 15 115.89 0.030 . 1 . . . . 66 N N . 15726 1 327 . 1 1 67 67 VAL H H 1 7.521 0.030 . 1 . . . . 67 V HN . 15726 1 328 . 1 1 67 67 VAL HA H 1 3.701 0.030 . 1 . . . . 67 V HA . 15726 1 329 . 1 1 67 67 VAL C C 13 178.318 0.030 . 1 . . . . 67 V C . 15726 1 330 . 1 1 67 67 VAL CA C 13 65.753 0.030 . 1 . . . . 67 V CA . 15726 1 331 . 1 1 67 67 VAL CB C 13 31.831 0.030 . 1 . . . . 67 V CB . 15726 1 332 . 1 1 67 67 VAL N N 15 121.64 0.030 . 1 . . . . 67 V N . 15726 1 333 . 1 1 68 68 ILE H H 1 7.694 0.030 . 1 . . . . 68 I HN . 15726 1 334 . 1 1 68 68 ILE HA H 1 3.582 0.030 . 1 . . . . 68 I HA . 15726 1 335 . 1 1 68 68 ILE C C 13 177.02 0.030 . 1 . . . . 68 I C . 15726 1 336 . 1 1 68 68 ILE CA C 13 66.425 0.030 . 1 . . . . 68 I CA . 15726 1 337 . 1 1 68 68 ILE CB C 13 37.875 0.030 . 1 . . . . 68 I CB . 15726 1 338 . 1 1 68 68 ILE N N 15 118.64 0.030 . 1 . . . . 68 I N . 15726 1 339 . 1 1 69 69 VAL H H 1 8.322 0.030 . 1 . . . . 69 V HN . 15726 1 340 . 1 1 69 69 VAL HA H 1 3.582 0.030 . 1 . . . . 69 V HA . 15726 1 341 . 1 1 69 69 VAL C C 13 176.063 0.030 . 1 . . . . 69 V C . 15726 1 342 . 1 1 69 69 VAL CB C 13 31.30 0.030 . 1 . . . . 69 V CB . 15726 1 343 . 1 1 69 69 VAL N N 15 116.64 0.030 . 1 . . . . 69 V N . 15726 1 344 . 1 1 70 70 GLU H H 1 8.258 0.030 . 1 . . . . 70 E HN . 15726 1 345 . 1 1 70 70 GLU CA C 13 59.609 0.030 . 1 . . . . 70 E CA . 15726 1 346 . 1 1 70 70 GLU N N 15 122.39 0.030 . 1 . . . . 70 E N . 15726 1 347 . 1 1 71 71 ALA HA H 1 3.833 0.030 . 1 . . . . 71 A HA . 15726 1 348 . 1 1 71 71 ALA C C 13 180.073 0.030 . 1 . . . . 71 A C . 15726 1 349 . 1 1 71 71 ALA CA C 13 55.798 0.030 . 1 . . . . 71 A CA . 15726 1 350 . 1 1 71 71 ALA CB C 13 18.979 0.030 . 1 . . . . 71 A CB . 15726 1 351 . 1 1 72 72 LEU H H 1 8.264 0.030 . 1 . . . . 72 L HN . 15726 1 352 . 1 1 72 72 LEU HA H 1 4.032 0.030 . 1 . . . . 72 L HA . 15726 1 353 . 1 1 72 72 LEU C C 13 180.339 0.030 . 1 . . . . 72 L C . 15726 1 354 . 1 1 72 72 LEU CA C 13 57.134 0.030 . 1 . . . . 72 L CA . 15726 1 355 . 1 1 72 72 LEU CB C 13 42.738 0.030 . 1 . . . . 72 L CB . 15726 1 356 . 1 1 72 72 LEU N N 15 115.89 0.030 . 1 . . . . 72 L N . 15726 1 357 . 1 1 73 73 SER H H 1 8.404 0.030 . 1 . . . . 73 S HN . 15726 1 358 . 1 1 73 73 SER HA H 1 4.284 0.030 . 1 . . . . 73 S HA . 15726 1 359 . 1 1 73 73 SER C C 13 174.925 0.030 . 1 . . . . 73 S C . 15726 1 360 . 1 1 73 73 SER CA C 13 61.233 0.030 . 1 . . . . 73 S CA . 15726 1 361 . 1 1 73 73 SER CB C 13 63.092 0.030 . 1 . . . . 73 S CB . 15726 1 362 . 1 1 73 73 SER N N 15 115.89 0.030 . 1 . . . . 73 S N . 15726 1 363 . 1 1 74 74 LYS H H 1 7.213 0.030 . 1 . . . . 74 K HN . 15726 1 364 . 1 1 74 74 LYS HA H 1 4.417 0.030 . 1 . . . . 74 K HA . 15726 1 365 . 1 1 74 74 LYS C C 13 176.725 0.030 . 1 . . . . 74 K C . 15726 1 366 . 1 1 74 74 LYS CA C 13 55.977 0.030 . 1 . . . . 74 K CA . 15726 1 367 . 1 1 74 74 LYS CB C 13 33.429 0.030 . 1 . . . . 74 K CB . 15726 1 368 . 1 1 74 74 LYS N N 15 119.14 0.030 . 1 . . . . 74 K N . 15726 1 369 . 1 1 75 75 SER H H 1 7.252 0.030 . 1 . . . . 75 S HN . 15726 1 370 . 1 1 75 75 SER HA H 1 4.801 0.030 . 1 . . . . 75 S HA . 15726 1 371 . 1 1 75 75 SER C C 13 177.211 0.030 . 1 . . . . 75 S C . 15726 1 372 . 1 1 75 75 SER CA C 13 58.443 0.030 . 1 . . . . 75 S CA . 15726 1 373 . 1 1 75 75 SER CB C 13 63.717 0.030 . 1 . . . . 75 S CB . 15726 1 374 . 1 1 75 75 SER N N 15 113.89 0.030 . 1 . . . . 75 S N . 15726 1 375 . 1 1 76 76 LYS H H 1 9.207 0.030 . 1 . . . . 76 K HN . 15726 1 376 . 1 1 76 76 LYS HA H 1 4.509 0.030 . 1 . . . . 76 K HA . 15726 1 377 . 1 1 76 76 LYS C C 13 177.329 0.030 . 1 . . . . 76 K C . 15726 1 378 . 1 1 76 76 LYS CA C 13 55.977 0.030 . 1 . . . . 76 K CA . 15726 1 379 . 1 1 76 76 LYS CB C 13 31.97 0.030 . 1 . . . . 76 K CB . 15726 1 380 . 1 1 76 76 LYS N N 15 127.39 0.030 . 1 . . . . 76 K N . 15726 1 381 . 1 1 77 77 ALA H H 1 8.42 0.030 . 1 . . . . 77 A HN . 15726 1 382 . 1 1 77 77 ALA HA H 1 4.112 0.030 . 1 . . . . 77 A HA . 15726 1 383 . 1 1 77 77 ALA C C 13 177.846 0.030 . 1 . . . . 77 A C . 15726 1 384 . 1 1 77 77 ALA CA C 13 53.959 0.030 . 1 . . . . 77 A CA . 15726 1 385 . 1 1 77 77 ALA CB C 13 18.701 0.030 . 1 . . . . 77 A CB . 15726 1 386 . 1 1 77 77 ALA N N 15 122.39 0.030 . 1 . . . . 77 A N . 15726 1 387 . 1 1 78 78 GLU H H 1 7.982 0.030 . 1 . . . . 78 E HN . 15726 1 388 . 1 1 78 78 GLU HA H 1 3.955 0.030 . 1 . . . . 78 E HA . 15726 1 389 . 1 1 78 78 GLU CA C 13 56.548 0.030 . 1 . . . . 78 E CA . 15726 1 390 . 1 1 78 78 GLU CB C 13 27.43 0.030 . 1 . . . . 78 E CB . 15726 1 391 . 1 1 78 78 GLU N N 15 111.14 0.030 . 1 . . . . 78 E N . 15726 1 392 . 1 1 79 79 LEU HA H 1 4.324 0.030 . 1 . . . . 79 L HA . 15726 1 393 . 1 1 79 79 LEU C C 13 175.692 0.030 . 1 . . . . 79 L C . 15726 1 394 . 1 1 80 80 MET H H 1 8.063 0.030 . 1 . . . . 80 M HN . 15726 1 395 . 1 1 80 80 MET HA H 1 5.252 0.030 . 1 . . . . 80 M HA . 15726 1 396 . 1 1 80 80 MET C C 13 177.171 0.030 . 1 . . . . 80 M C . 15726 1 397 . 1 1 80 80 MET CA C 13 51.403 0.030 . 1 . . . . 80 M CA . 15726 1 398 . 1 1 80 80 MET CB C 13 30.58 0.030 . 1 . . . . 80 M CB . 15726 1 399 . 1 1 80 80 MET N N 15 112.14 0.030 . 1 . . . . 80 M N . 15726 1 400 . 1 1 81 81 GLU H H 1 9.407 0.030 . 1 . . . . 81 E HN . 15726 1 401 . 1 1 81 81 GLU HA H 1 4.629 0.030 . 1 . . . . 81 E HA . 15726 1 402 . 1 1 81 81 GLU C C 13 174.6 0.030 . 1 . . . . 81 E C . 15726 1 403 . 1 1 81 81 GLU CA C 13 54.452 0.030 . 1 . . . . 81 E CA . 15726 1 404 . 1 1 81 81 GLU CB C 13 33.568 0.030 . 1 . . . . 81 E CB . 15726 1 405 . 1 1 81 81 GLU N N 15 121.14 0.030 . 1 . . . . 81 E N . 15726 1 406 . 1 1 82 82 ILE H H 1 8.701 0.030 . 1 . . . . 82 I HN . 15726 1 407 . 1 1 82 82 ILE HA H 1 4.807 0.030 . 1 . . . . 82 I HA . 15726 1 408 . 1 1 82 82 ILE C C 13 177.197 0.030 . 1 . . . . 82 I C . 15726 1 409 . 1 1 82 82 ILE CA C 13 60.192 0.030 . 1 . . . . 82 I CA . 15726 1 410 . 1 1 82 82 ILE CB C 13 40.792 0.030 . 1 . . . . 82 I CB . 15726 1 411 . 1 1 82 82 ILE N N 15 121.89 0.030 . 1 . . . . 82 I N . 15726 1 412 . 1 1 83 83 SER H H 1 8.593 0.030 . 1 . . . . 83 S HN . 15726 1 413 . 1 1 83 83 SER HA H 1 3.712 0.030 . 1 . . . . 83 S HA . 15726 1 414 . 1 1 83 83 SER C C 13 176.474 0.030 . 1 . . . . 83 S C . 15726 1 415 . 1 1 83 83 SER CA C 13 60.062 0.030 . 1 . . . . 83 S CA . 15726 1 416 . 1 1 83 83 SER CB C 13 63.092 0.030 . 1 . . . . 83 S CB . 15726 1 417 . 1 1 83 83 SER N N 15 124.39 0.030 . 1 . . . . 83 S N . 15726 1 418 . 1 1 84 84 GLU H H 1 8.866 0.030 . 1 . . . . 84 E HN . 15726 1 419 . 1 1 84 84 GLU HA H 1 3.992 0.030 . 1 . . . . 84 E HA . 15726 1 420 . 1 1 84 84 GLU C C 13 177.831 0.030 . 1 . . . . 84 E C . 15726 1 421 . 1 1 84 84 GLU CA C 13 59.789 0.030 . 1 . . . . 84 E CA . 15726 1 422 . 1 1 84 84 GLU CB C 13 29.26 0.030 . 1 . . . . 84 E CB . 15726 1 423 . 1 1 84 84 GLU N N 15 123.89 0.030 . 1 . . . . 84 E N . 15726 1 424 . 1 1 85 85 ASP H H 1 8.058 0.030 . 1 . . . . 85 D HN . 15726 1 425 . 1 1 85 85 ASP HA H 1 4.43 0.030 . 1 . . . . 85 D HA . 15726 1 426 . 1 1 85 85 ASP C C 13 175.53 0.030 . 1 . . . . 85 D C . 15726 1 427 . 1 1 85 85 ASP CA C 13 52.927 0.030 . 1 . . . . 85 D CA . 15726 1 428 . 1 1 85 85 ASP CB C 13 39.959 0.030 . 1 . . . . 85 D CB . 15726 1 429 . 1 1 85 85 ASP N N 15 114.14 0.030 . 1 . . . . 85 D N . 15726 1 430 . 1 1 86 86 LYS H H 1 8.018 0.030 . 1 . . . . 86 K HN . 15726 1 431 . 1 1 86 86 LYS HA H 1 3.582 0.030 . 1 . . . . 86 K HA . 15726 1 432 . 1 1 86 86 LYS C C 13 175.131 0.030 . 1 . . . . 86 K C . 15726 1 433 . 1 1 86 86 LYS CA C 13 57.546 0.030 . 1 . . . . 86 K CA . 15726 1 434 . 1 1 86 86 LYS CB C 13 29.26 0.030 . 1 . . . . 86 K CB . 15726 1 435 . 1 1 86 86 LYS N N 15 112.89 0.030 . 1 . . . . 86 K N . 15726 1 436 . 1 1 87 87 THR H H 1 7.569 0.030 . 1 . . . . 87 T HN . 15726 1 437 . 1 1 87 87 THR HA H 1 4.205 0.030 . 1 . . . . 87 T HA . 15726 1 438 . 1 1 87 87 THR CA C 13 61.896 0.030 . 1 . . . . 87 T CA . 15726 1 439 . 1 1 87 87 THR CB C 13 71.081 0.030 . 1 . . . . 87 T CB . 15726 1 440 . 1 1 87 87 THR N N 15 102.89 0.030 . 1 . . . . 87 T N . 15726 1 441 . 1 1 88 88 LYS H H 1 7.919 0.030 . 1 . . . . 88 K HN . 15726 1 442 . 1 1 88 88 LYS HA H 1 5.079 0.030 . 1 . . . . 88 K HA . 15726 1 443 . 1 1 88 88 LYS C C 13 173.523 0.030 . 1 . . . . 88 K C . 15726 1 444 . 1 1 88 88 LYS CA C 13 54.856 0.030 . 1 . . . . 88 K CA . 15726 1 445 . 1 1 88 88 LYS CB C 13 36.833 0.030 . 1 . . . . 88 K CB . 15726 1 446 . 1 1 88 88 LYS N N 15 121.14 0.030 . 1 . . . . 88 K N . 15726 1 447 . 1 1 89 89 ILE H H 1 8.437 0.030 . 1 . . . . 89 I HN . 15726 1 448 . 1 1 89 89 ILE HA H 1 5.782 0.030 . 1 . . . . 89 I HA . 15726 1 449 . 1 1 89 89 ILE C C 13 173.919 0.030 . 1 . . . . 89 I C . 15726 1 450 . 1 1 89 89 ILE CA C 13 58.802 0.030 . 1 . . . . 89 I CA . 15726 1 451 . 1 1 89 89 ILE CB C 13 42.738 0.030 . 1 . . . . 89 I CB . 15726 1 452 . 1 1 89 89 ILE N N 15 112.14 0.030 . 1 . . . . 89 I N . 15726 1 453 . 1 1 90 90 ARG H H 1 8.504 0.030 . 1 . . . . 90 R HN . 15726 1 454 . 1 1 90 90 ARG HA H 1 4.403 0.030 . 1 . . . . 90 R HA . 15726 1 455 . 1 1 90 90 ARG C C 13 173.7 0.030 . 1 . . . . 90 R C . 15726 1 456 . 1 1 90 90 ARG CA C 13 54.138 0.030 . 1 . . . . 90 R CA . 15726 1 457 . 1 1 90 90 ARG CB C 13 34.262 0.030 . 1 . . . . 90 R CB . 15726 1 458 . 1 1 90 90 ARG N N 15 115.64 0.030 . 1 . . . . 90 R N . 15726 1 459 . 1 1 91 91 ARG H H 1 9.24 0.030 . 1 . . . . 91 R HN . 15726 1 460 . 1 1 91 91 ARG HA H 1 4.483 0.030 . 1 . . . . 91 R HA . 15726 1 461 . 1 1 91 91 ARG C C 13 176.238 0.030 . 1 . . . . 91 R C . 15726 1 462 . 1 1 91 91 ARG CA C 13 56.022 0.030 . 1 . . . . 91 R CA . 15726 1 463 . 1 1 91 91 ARG N N 15 124.39 0.030 . 1 . . . . 91 R N . 15726 1 464 . 1 1 92 92 SER H H 1 9.277 0.030 . 1 . . . . 92 S HN . 15726 1 465 . 1 1 92 92 SER HA H 1 4.814 0.030 . 1 . . . . 92 S HA . 15726 1 466 . 1 1 92 92 SER CA C 13 56.246 0.030 . 1 . . . . 92 S CA . 15726 1 467 . 1 1 92 92 SER N N 15 122.64 0.030 . 1 . . . . 92 S N . 15726 1 468 . 1 1 93 93 PRO CA C 13 63.959 0.030 . 1 . . . . 93 P CA . 15726 1 469 . 1 1 93 93 PRO CB C 13 31.831 0.030 . 1 . . . . 93 P CB . 15726 1 470 . 1 1 94 94 SER H H 1 7.807 0.030 . 1 . . . . 94 S HN . 15726 1 471 . 1 1 94 94 SER HA H 1 4.337 0.030 . 1 . . . . 94 S HA . 15726 1 472 . 1 1 94 94 SER C C 13 173.332 0.030 . 1 . . . . 94 S C . 15726 1 473 . 1 1 94 94 SER CA C 13 59.071 0.030 . 1 . . . . 94 S CA . 15726 1 474 . 1 1 94 94 SER CB C 13 63.023 0.030 . 1 . . . . 94 S CB . 15726 1 475 . 1 1 94 94 SER N N 15 110.936 0.030 . 1 . . . . 94 S N . 15726 1 476 . 1 1 95 95 LYS H H 1 7.615 0.030 . 1 . . . . 95 K HN . 15726 1 477 . 1 1 95 95 LYS HA H 1 4.867 0.030 . 1 . . . . 95 K HA . 15726 1 478 . 1 1 95 95 LYS CA C 13 52.524 0.030 . 1 . . . . 95 K CA . 15726 1 479 . 1 1 96 96 PRO C C 13 177.211 0.030 . 1 . . . . 96 P C . 15726 1 480 . 1 1 96 96 PRO CA C 13 62.928 0.030 . 1 . . . . 96 P CA . 15726 1 481 . 1 1 96 96 PRO CB C 13 32.387 0.030 . 1 . . . . 96 P CB . 15726 1 482 . 1 1 97 97 LEU H H 1 8.603 0.030 . 1 . . . . 97 L HN . 15726 1 483 . 1 1 97 97 LEU HA H 1 4.377 0.030 . 1 . . . . 97 L HA . 15726 1 484 . 1 1 97 97 LEU CA C 13 53.286 0.030 . 1 . . . . 97 L CA . 15726 1 485 . 1 1 97 97 LEU CB C 13 41.765 0.030 . 1 . . . . 97 L CB . 15726 1 486 . 1 1 97 97 LEU N N 15 124.39 0.030 . 1 . . . . 97 L N . 15726 1 487 . 1 1 98 98 PRO C C 13 176.517 0.030 . 1 . . . . 98 P C . 15726 1 488 . 1 1 98 98 PRO CA C 13 62.838 0.030 . 1 . . . . 98 P CA . 15726 1 489 . 1 1 99 99 GLU H H 1 8.433 0.030 . 1 . . . . 99 E HN . 15726 1 490 . 1 1 99 99 GLU HA H 1 4.218 0.030 . 1 . . . . 99 E HA . 15726 1 491 . 1 1 99 99 GLU C C 13 176.666 0.030 . 1 . . . . 99 E C . 15726 1 492 . 1 1 99 99 GLU CA C 13 56.425 0.030 . 1 . . . . 99 E CA . 15726 1 493 . 1 1 99 99 GLU CB C 13 30.233 0.030 . 1 . . . . 99 E CB . 15726 1 494 . 1 1 99 99 GLU N N 15 121.14 0.030 . 1 . . . . 99 E N . 15726 1 495 . 1 1 100 100 VAL H H 1 8.284 0.030 . 1 . . . . 100 V HN . 15726 1 496 . 1 1 100 100 VAL HA H 1 4.205 0.030 . 1 . . . . 100 V HA . 15726 1 497 . 1 1 100 100 VAL C C 13 176.179 0.030 . 1 . . . . 100 V C . 15726 1 498 . 1 1 100 100 VAL CA C 13 62.21 0.030 . 1 . . . . 100 V CA . 15726 1 499 . 1 1 100 100 VAL CB C 13 32.664 0.030 . 1 . . . . 100 V CB . 15726 1 500 . 1 1 100 100 VAL N N 15 121.64 0.030 . 1 . . . . 100 V N . 15726 1 501 . 1 1 101 101 THR H H 1 8.176 0.030 . 1 . . . . 101 T HN . 15726 1 502 . 1 1 101 101 THR HA H 1 4.39 0.030 . 1 . . . . 101 T HA . 15726 1 503 . 1 1 101 101 THR C C 13 174.527 0.030 . 1 . . . . 101 T C . 15726 1 504 . 1 1 101 101 THR CA C 13 61.368 0.030 . 1 . . . . 101 T CA . 15726 1 505 . 1 1 101 101 THR CB C 13 70.248 0.030 . 1 . . . . 101 T CB . 15726 1 506 . 1 1 101 101 THR N N 15 117.39 0.030 . 1 . . . . 101 T N . 15726 1 507 . 1 1 102 102 ASP H H 1 8.459 0.030 . 1 . . . . 102 D HN . 15726 1 508 . 1 1 102 102 ASP HA H 1 4.496 0.030 . 1 . . . . 102 D HA . 15726 1 509 . 1 1 102 102 ASP C C 13 174.836 0.030 . 1 . . . . 102 D C . 15726 1 510 . 1 1 102 102 ASP CA C 13 55.016 0.030 . 1 . . . . 102 D CA . 15726 1 511 . 1 1 102 102 ASP CB C 13 41.001 0.030 . 1 . . . . 102 D CB . 15726 1 512 . 1 1 102 102 ASP N N 15 122.39 0.030 . 1 . . . . 102 D N . 15726 1 513 . 1 1 103 103 GLU H H 1 8.436 0.030 . 1 . . . . 103 E HN . 15726 1 514 . 1 1 103 103 GLU HA H 1 4.112 0.030 . 1 . . . . 103 E HA . 15726 1 515 . 1 1 103 103 GLU C C 13 177.211 0.030 . 1 . . . . 103 E C . 15726 1 516 . 1 1 103 103 GLU CA C 13 62.921 0.030 . 1 . . . . 103 E CA . 15726 1 517 . 1 1 103 103 GLU CB C 13 32.387 0.030 . 1 . . . . 103 E CB . 15726 1 518 . 1 1 103 103 GLU N N 15 120.89 0.030 . 1 . . . . 103 E N . 15726 1 519 . 1 1 104 104 TYR H H 1 8.599 0.030 . 1 . . . . 104 Y HN . 15726 1 520 . 1 1 104 104 TYR HA H 1 4.417 0.030 . 1 . . . . 104 Y HA . 15726 1 521 . 1 1 104 104 TYR C C 13 175.854 0.030 . 1 . . . . 104 Y C . 15726 1 522 . 1 1 104 104 TYR CA C 13 60.079 0.030 . 1 . . . . 104 Y CA . 15726 1 523 . 1 1 104 104 TYR N N 15 124.14 0.030 . 1 . . . . 104 Y N . 15726 1 524 . 1 1 105 105 LYS H H 1 8.399 0.030 . 1 . . . . 105 K HN . 15726 1 525 . 1 1 105 105 LYS C C 13 176.474 0.030 . 1 . . . . 105 K C . 15726 1 526 . 1 1 105 105 LYS CA C 13 54.49 0.030 . 1 . . . . 105 K CA . 15726 1 527 . 1 1 105 105 LYS CB C 13 38.361 0.030 . 1 . . . . 105 K CB . 15726 1 528 . 1 1 105 105 LYS N N 15 123.89 0.030 . 1 . . . . 105 K N . 15726 1 529 . 1 1 106 106 ASN H H 1 8.541 0.030 . 1 . . . . 106 N HN . 15726 1 530 . 1 1 106 106 ASN HA H 1 4.7 0.030 . 1 . . . . 106 N HA . 15726 1 531 . 1 1 106 106 ASN CA C 13 58.911 0.030 . 1 . . . . 106 N CA . 15726 1 532 . 1 1 106 106 ASN N N 15 121.64 0.030 . 1 . . . . 106 N N . 15726 1 533 . 1 1 107 107 ASP H H 1 8.218 0.030 . 1 . . . . 107 D HN . 15726 1 534 . 1 1 107 107 ASP HA H 1 4.536 0.030 . 1 . . . . 107 D HA . 15726 1 535 . 1 1 107 107 ASP C C 13 177.477 0.030 . 1 . . . . 107 D C . 15726 1 536 . 1 1 107 107 ASP CA C 13 55.252 0.030 . 1 . . . . 107 D CA . 15726 1 537 . 1 1 107 107 ASP CB C 13 41.487 0.030 . 1 . . . . 107 D CB . 15726 1 538 . 1 1 107 107 ASP N N 15 121.14 0.030 . 1 . . . . 107 D N . 15726 1 539 . 1 1 108 108 VAL H H 1 8.137 0.030 . 1 . . . . 108 V HN . 15726 1 540 . 1 1 108 108 VAL HA H 1 3.847 0.030 . 1 . . . . 108 V HA . 15726 1 541 . 1 1 108 108 VAL C C 13 175.987 0.030 . 1 . . . . 108 V C . 15726 1 542 . 1 1 108 108 VAL CA C 13 64.836 0.030 . 1 . . . . 108 V CA . 15726 1 543 . 1 1 108 108 VAL CB C 13 31.9 0.030 . 1 . . . . 108 V CB . 15726 1 544 . 1 1 108 108 VAL N N 15 121.14 0.030 . 1 . . . . 108 V N . 15726 1 545 . 1 1 109 109 LYS H H 1 8.622 0.030 . 1 . . . . 109 K HN . 15726 1 546 . 1 1 109 109 LYS C C 13 178.495 0.030 . 1 . . . . 109 K C . 15726 1 547 . 1 1 109 109 LYS CA C 13 59.328 0.030 . 1 . . . . 109 K CA . 15726 1 548 . 1 1 109 109 LYS CB C 13 31.761 0.030 . 1 . . . . 109 K CB . 15726 1 549 . 1 1 109 109 LYS N N 15 124.39 0.030 . 1 . . . . 109 K N . 15726 1 550 . 1 1 110 110 ASN H H 1 7.918 0.030 . 1 . . . . 110 N HN . 15726 1 551 . 1 1 110 110 ASN HA H 1 4.615 0.030 . 1 . . . . 110 N HA . 15726 1 552 . 1 1 110 110 ASN C C 13 174.01 0.030 . 1 . . . . 110 N C . 15726 1 553 . 1 1 110 110 ASN CA C 13 54.481 0.030 . 1 . . . . 110 N CA . 15726 1 554 . 1 1 110 110 ASN CB C 13 38.639 0.030 . 1 . . . . 110 N CB . 15726 1 555 . 1 1 110 110 ASN N N 15 115.64 0.030 . 1 . . . . 110 N N . 15726 1 556 . 1 1 111 111 ARG H H 1 7.669 0.030 . 1 . . . . 111 R HN . 15726 1 557 . 1 1 111 111 ARG HA H 1 4.764 0.030 . 1 . . . . 111 R HA . 15726 1 558 . 1 1 111 111 ARG C C 13 174.321 0.030 . 1 . . . . 111 R C . 15726 1 559 . 1 1 111 111 ARG CA C 13 54.738 0.030 . 1 . . . . 111 R CA . 15726 1 560 . 1 1 111 111 ARG CB C 13 30.789 0.030 . 1 . . . . 111 R CB . 15726 1 561 . 1 1 111 111 ARG N N 15 114.39 0.030 . 1 . . . . 111 R N . 15726 1 562 . 1 1 112 112 SER H H 1 7.602 0.030 . 1 . . . . 112 S HN . 15726 1 563 . 1 1 112 112 SER HA H 1 5.861 0.030 . 1 . . . . 112 S HA . 15726 1 564 . 1 1 112 112 SER C C 13 173.435 0.030 . 1 . . . . 112 S C . 15726 1 565 . 1 1 112 112 SER CA C 13 58.263 0.030 . 1 . . . . 112 S CA . 15726 1 566 . 1 1 112 112 SER N N 15 115.39 0.030 . 1 . . . . 112 S N . 15726 1 567 . 1 1 113 113 VAL H H 1 9.705 0.030 . 1 . . . . 113 V HN . 15726 1 568 . 1 1 113 113 VAL HA H 1 4.746 0.030 . 1 . . . . 113 V HA . 15726 1 569 . 1 1 113 113 VAL C C 13 173.155 0.030 . 1 . . . . 113 V C . 15726 1 570 . 1 1 113 113 VAL CA C 13 61.605 0.030 . 1 . . . . 113 V CA . 15726 1 571 . 1 1 113 113 VAL N N 15 124.64 0.030 . 1 . . . . 113 V N . 15726 1 572 . 1 1 114 114 TYR H H 1 9.874 0.030 . 1 . . . . 114 Y HN . 15726 1 573 . 1 1 114 114 TYR HA H 1 5.437 0.030 . 1 . . . . 114 Y HA . 15726 1 574 . 1 1 114 114 TYR C C 13 173.287 0.030 . 1 . . . . 114 Y C . 15726 1 575 . 1 1 114 114 TYR CA C 13 56.023 0.030 . 1 . . . . 114 Y CA . 15726 1 576 . 1 1 114 114 TYR N N 15 128.64 0.030 . 1 . . . . 114 Y N . 15726 1 577 . 1 1 115 115 ILE H H 1 8.075 0.030 . 1 . . . . 115 I HN . 15726 1 578 . 1 1 115 115 ILE HA H 1 5 0.030 . 1 . . . . 115 I HA . 15726 1 579 . 1 1 115 115 ILE C C 13 173.73 0.030 . 1 . . . . 115 I C . 15726 1 580 . 1 1 115 115 ILE CA C 13 59.732 0.030 . 1 . . . . 115 I CA . 15726 1 581 . 1 1 115 115 ILE N N 15 124.14 0.030 . 1 . . . . 115 I N . 15726 1 582 . 1 1 116 116 LYS H H 1 9.054 0.030 . 1 . . . . 116 K HN . 15726 1 583 . 1 1 116 116 LYS HA H 1 4.483 0.030 . 1 . . . . 116 K HA . 15726 1 584 . 1 1 116 116 LYS CA C 13 54.738 0.030 . 1 . . . . 116 K CA . 15726 1 585 . 1 1 116 116 LYS N N 15 126.64 0.030 . 1 . . . . 116 K N . 15726 1 586 . 1 1 119 119 PRO C C 13 178.111 0.030 . 1 . . . . 119 P C . 15726 1 587 . 1 1 120 120 THR H H 1 8.593 0.030 . 1 . . . . 120 T HN . 15726 1 588 . 1 1 120 120 THR C C 13 174.6 0.030 . 1 . . . . 120 T C . 15726 1 589 . 1 1 120 120 THR CA C 13 64.773 0.030 . 1 . . . . 120 T CA . 15726 1 590 . 1 1 120 120 THR N N 15 111.64 0.030 . 1 . . . . 120 T N . 15726 1 591 . 1 1 121 121 ASP H H 1 8.244 0.030 . 1 . . . . 121 D HN . 15726 1 592 . 1 1 121 121 ASP CA C 13 52.62 0.030 . 1 . . . . 121 D CA . 15726 1 593 . 1 1 121 121 ASP N N 15 117.39 0.030 . 1 . . . . 121 D N . 15726 1 594 . 1 1 122 122 ALA H H 1 7.701 0.030 . 1 . . . . 122 A HN . 15726 1 595 . 1 1 122 122 ALA HA H 1 4.47 0.030 . 1 . . . . 122 A HA . 15726 1 596 . 1 1 122 122 ALA C C 13 176.459 0.030 . 1 . . . . 122 A C . 15726 1 597 . 1 1 122 122 ALA CA C 13 52.772 0.030 . 1 . . . . 122 A CA . 15726 1 598 . 1 1 122 122 ALA CB C 13 18.77 0.030 . 1 . . . . 122 A CB . 15726 1 599 . 1 1 122 122 ALA N N 15 124.14 0.030 . 1 . . . . 122 A N . 15726 1 600 . 1 1 123 123 THR H H 1 8.533 0.030 . 1 . . . . 123 T HN . 15726 1 601 . 1 1 123 123 THR HA H 1 4.337 0.030 . 1 . . . . 123 T HA . 15726 1 602 . 1 1 123 123 THR C C 13 175.19 0.030 . 1 . . . . 123 T C . 15726 1 603 . 1 1 123 123 THR CA C 13 59.116 0.030 . 1 . . . . 123 T CA . 15726 1 604 . 1 1 123 123 THR CB C 13 71.915 0.030 . 1 . . . . 123 T CB . 15726 1 605 . 1 1 123 123 THR N N 15 111.14 0.030 . 1 . . . . 123 T N . 15726 1 606 . 1 1 124 124 LEU H H 1 8.631 0.030 . 1 . . . . 124 L HN . 15726 1 607 . 1 1 124 124 LEU C C 13 178.48 0.030 . 1 . . . . 124 L C . 15726 1 608 . 1 1 124 124 LEU CA C 13 58.085 0.030 . 1 . . . . 124 L CA . 15726 1 609 . 1 1 124 124 LEU CB C 13 40.306 0.030 . 1 . . . . 124 L CB . 15726 1 610 . 1 1 124 124 LEU N N 15 121.39 0.030 . 1 . . . . 124 L N . 15726 1 611 . 1 1 125 125 ASP H H 1 7.861 0.030 . 1 . . . . 125 D HN . 15726 1 612 . 1 1 125 125 ASP HA H 1 4.311 0.030 . 1 . . . . 125 D HA . 15726 1 613 . 1 1 125 125 ASP C C 13 178.554 0.030 . 1 . . . . 125 D C . 15726 1 614 . 1 1 125 125 ASP CA C 13 57.855 0.030 . 1 . . . . 125 D CA . 15726 1 615 . 1 1 125 125 ASP CB C 13 40.376 0.030 . 1 . . . . 125 D CB . 15726 1 616 . 1 1 125 125 ASP N N 15 116.14 0.030 . 1 . . . . 125 D N . 15726 1 617 . 1 1 126 126 ASP H H 1 7.745 0.030 . 1 . . . . 126 D HN . 15726 1 618 . 1 1 126 126 ASP HA H 1 4.364 0.030 . 1 . . . . 126 D HA . 15726 1 619 . 1 1 126 126 ASP C C 13 179.424 0.030 . 1 . . . . 126 D C . 15726 1 620 . 1 1 126 126 ASP CA C 13 57.626 0.030 . 1 . . . . 126 D CA . 15726 1 621 . 1 1 126 126 ASP CB C 13 40.167 0.030 . 1 . . . . 126 D CB . 15726 1 622 . 1 1 126 126 ASP N N 15 121.39 0.030 . 1 . . . . 126 D N . 15726 1 623 . 1 1 127 127 ILE H H 1 7.824 0.030 . 1 . . . . 127 I HN . 15726 1 624 . 1 1 127 127 ILE C C 13 177.58 0.030 . 1 . . . . 127 I C . 15726 1 625 . 1 1 127 127 ILE CA C 13 65.422 0.030 . 1 . . . . 127 I CA . 15726 1 626 . 1 1 127 127 ILE CB C 13 37.805 0.030 . 1 . . . . 127 I CB . 15726 1 627 . 1 1 127 127 ILE N N 15 122.64 0.030 . 1 . . . . 127 I N . 15726 1 628 . 1 1 128 128 LYS H H 1 9.036 0.030 . 1 . . . . 128 K HN . 15726 1 629 . 1 1 128 128 LYS HA H 1 3.754 0.030 . 1 . . . . 128 K HA . 15726 1 630 . 1 1 128 128 LYS C C 13 179.439 0.030 . 1 . . . . 128 K C . 15726 1 631 . 1 1 128 128 LYS CA C 13 60.645 0.030 . 1 . . . . 128 K CA . 15726 1 632 . 1 1 128 128 LYS CB C 13 32.664 0.030 . 1 . . . . 128 K CB . 15726 1 633 . 1 1 128 128 LYS N N 15 120.39 0.030 . 1 . . . . 128 K N . 15726 1 634 . 1 1 129 129 GLU H H 1 8.058 0.030 . 1 . . . . 129 E HN . 15726 1 635 . 1 1 129 129 GLU HA H 1 4.112 0.030 . 1 . . . . 129 E HA . 15726 1 636 . 1 1 129 129 GLU C C 13 178.878 0.030 . 1 . . . . 129 E C . 15726 1 637 . 1 1 129 129 GLU CA C 13 59.328 0.030 . 1 . . . . 129 E CA . 15726 1 638 . 1 1 129 129 GLU CB C 13 29.538 0.030 . 1 . . . . 129 E CB . 15726 1 639 . 1 1 129 129 GLU N N 15 118.39 0.030 . 1 . . . . 129 E N . 15726 1 640 . 1 1 130 130 TRP H H 1 7.932 0.030 . 1 . . . . 130 W HN . 15726 1 641 . 1 1 130 130 TRP HA H 1 4.337 0.030 . 1 . . . . 130 W HA . 15726 1 642 . 1 1 130 130 TRP C C 13 177.713 0.030 . 1 . . . . 130 W C . 15726 1 643 . 1 1 130 130 TRP CA C 13 61.935 0.030 . 1 . . . . 130 W CA . 15726 1 644 . 1 1 130 130 TRP N N 15 121.39 0.030 . 1 . . . . 130 W N . 15726 1 645 . 1 1 131 131 LEU H H 1 8.263 0.030 . 1 . . . . 131 L HN . 15726 1 646 . 1 1 131 131 LEU HA H 1 3.767 0.030 . 1 . . . . 131 L HA . 15726 1 647 . 1 1 131 131 LEU C C 13 178.524 0.030 . 1 . . . . 131 L C . 15726 1 648 . 1 1 131 131 LEU CA C 13 56.501 0.030 . 1 . . . . 131 L CA . 15726 1 649 . 1 1 131 131 LEU CB C 13 43.224 0.030 . 1 . . . . 131 L CB . 15726 1 650 . 1 1 131 131 LEU N N 15 116.64 0.030 . 1 . . . . 131 L N . 15726 1 651 . 1 1 132 132 GLU H H 1 7.544 0.030 . 1 . . . . 132 E HN . 15726 1 652 . 1 1 132 132 GLU HA H 1 4.059 0.030 . 1 . . . . 132 E HA . 15726 1 653 . 1 1 132 132 GLU C C 13 177.211 0.030 . 1 . . . . 132 E C . 15726 1 654 . 1 1 132 132 GLU CA C 13 59.769 0.030 . 1 . . . . 132 E CA . 15726 1 655 . 1 1 132 132 GLU CB C 13 29.816 0.030 . 1 . . . . 132 E CB . 15726 1 656 . 1 1 132 132 GLU N N 15 119.39 0.030 . 1 . . . . 132 E N . 15726 1 657 . 1 1 133 133 ASP H H 1 7.798 0.030 . 1 . . . . 133 D HN . 15726 1 658 . 1 1 133 133 ASP HA H 1 4.682 0.030 . 1 . . . . 133 D HA . 15726 1 659 . 1 1 133 133 ASP C C 13 176.828 0.030 . 1 . . . . 133 D C . 15726 1 660 . 1 1 133 133 ASP CA C 13 53.747 0.030 . 1 . . . . 133 D CA . 15726 1 661 . 1 1 133 133 ASP CB C 13 40.306 0.030 . 1 . . . . 133 D CB . 15726 1 662 . 1 1 133 133 ASP N N 15 114.39 0.030 . 1 . . . . 133 D N . 15726 1 663 . 1 1 134 134 LYS H H 1 7.913 0.030 . 1 . . . . 134 K HN . 15726 1 664 . 1 1 134 134 LYS HA H 1 4.39 0.030 . 1 . . . . 134 K HA . 15726 1 665 . 1 1 134 134 LYS C C 13 175.598 0.030 . 1 . . . . 134 K C . 15726 1 666 . 1 1 134 134 LYS CA C 13 55.142 0.030 . 1 . . . . 134 K CA . 15726 1 667 . 1 1 134 134 LYS CB C 13 31.9 0.030 . 1 . . . . 134 K CB . 15726 1 668 . 1 1 134 134 LYS N N 15 117.89 0.030 . 1 . . . . 134 K N . 15726 1 669 . 1 1 135 135 GLY H H 1 7.628 0.030 . 1 . . . . 135 G HN . 15726 1 670 . 1 1 135 135 GLY HA2 H 1 3.807 0.030 . 2 . . . . 135 G HA1 . 15726 1 671 . 1 1 135 135 GLY HA3 H 1 3.807 0.030 . 2 . . . . 135 G HA2 . 15726 1 672 . 1 1 135 135 GLY C C 13 171.613 0.030 . 1 . . . . 135 G C . 15726 1 673 . 1 1 135 135 GLY CA C 13 44.126 0.030 . 1 . . . . 135 G CA . 15726 1 674 . 1 1 135 135 GLY N N 15 106.14 0.030 . 1 . . . . 135 G N . 15726 1 675 . 1 1 136 136 GLN H H 1 8.572 0.030 . 1 . . . . 136 Q HN . 15726 1 676 . 1 1 136 136 GLN HA H 1 4.377 0.030 . 1 . . . . 136 Q HA . 15726 1 677 . 1 1 136 136 GLN C C 13 174.335 0.030 . 1 . . . . 136 Q C . 15726 1 678 . 1 1 136 136 GLN CA C 13 55.986 0.030 . 1 . . . . 136 Q CA . 15726 1 679 . 1 1 136 136 GLN CB C 13 28.079 0.030 . 1 . . . . 136 Q CB . 15726 1 680 . 1 1 136 136 GLN N N 15 119.64 0.030 . 1 . . . . 136 Q N . 15726 1 681 . 1 1 137 137 VAL H H 1 8.011 0.030 . 1 . . . . 137 V HN . 15726 1 682 . 1 1 137 137 VAL HA H 1 3.926 0.030 . 1 . . . . 137 V HA . 15726 1 683 . 1 1 137 137 VAL C C 13 176.223 0.030 . 1 . . . . 137 V C . 15726 1 684 . 1 1 137 137 VAL CA C 13 61.788 0.030 . 1 . . . . 137 V CA . 15726 1 685 . 1 1 137 137 VAL N N 15 124.64 0.030 . 1 . . . . 137 V N . 15726 1 686 . 1 1 138 138 LEU H H 1 8.995 0.030 . 1 . . . . 138 L HN . 15726 1 687 . 1 1 138 138 LEU HA H 1 4.39 0.030 . 1 . . . . 138 L HA . 15726 1 688 . 1 1 138 138 LEU C C 13 176.887 0.030 . 1 . . . . 138 L C . 15726 1 689 . 1 1 138 138 LEU CA C 13 54.922 0.030 . 1 . . . . 138 L CA . 15726 1 690 . 1 1 138 138 LEU CB C 13 43.224 0.030 . 1 . . . . 138 L CB . 15726 1 691 . 1 1 138 138 LEU N N 15 125.14 0.030 . 1 . . . . 138 L N . 15726 1 692 . 1 1 139 139 ASN H H 1 7.216 0.030 . 1 . . . . 139 N HN . 15726 1 693 . 1 1 139 139 ASN HA H 1 4.775 0.030 . 1 . . . . 139 N HA . 15726 1 694 . 1 1 139 139 ASN C C 13 172.432 0.030 . 1 . . . . 139 N C . 15726 1 695 . 1 1 139 139 ASN CA C 13 53.71 0.030 . 1 . . . . 139 N CA . 15726 1 696 . 1 1 139 139 ASN CB C 13 42.39 0.030 . 1 . . . . 139 N CB . 15726 1 697 . 1 1 139 139 ASN N N 15 114.39 0.030 . 1 . . . . 139 N N . 15726 1 698 . 1 1 140 140 ILE H H 1 8.248 0.030 . 1 . . . . 140 I HN . 15726 1 699 . 1 1 140 140 ILE HA H 1 4.443 0.030 . 1 . . . . 140 I HA . 15726 1 700 . 1 1 140 140 ILE C C 13 174.128 0.030 . 1 . . . . 140 I C . 15726 1 701 . 1 1 140 140 ILE CA C 13 60.87 0.030 . 1 . . . . 140 I CA . 15726 1 702 . 1 1 140 140 ILE CB C 13 41.487 0.030 . 1 . . . . 140 I CB . 15726 1 703 . 1 1 140 140 ILE N N 15 123.14 0.030 . 1 . . . . 140 I N . 15726 1 704 . 1 1 141 141 GLN H H 1 9.175 0.030 . 1 . . . . 141 Q HN . 15726 1 705 . 1 1 141 141 GLN C C 13 175.5 0.030 . 1 . . . . 141 Q C . 15726 1 706 . 1 1 141 141 GLN CA C 13 53.93 0.030 . 1 . . . . 141 Q CA . 15726 1 707 . 1 1 141 141 GLN CB C 13 31.136 0.030 . 1 . . . . 141 Q CB . 15726 1 708 . 1 1 141 141 GLN N N 15 126.64 0.030 . 1 . . . . 141 Q N . 15726 1 709 . 1 1 142 142 MET H H 1 9.051 0.030 . 1 . . . . 142 M HN . 15726 1 710 . 1 1 142 142 MET C C 13 175.338 0.030 . 1 . . . . 142 M C . 15726 1 711 . 1 1 142 142 MET CA C 13 55.95 0.030 . 1 . . . . 142 M CA . 15726 1 712 . 1 1 142 142 MET N N 15 125.14 0.030 . 1 . . . . 142 M N . 15726 1 713 . 1 1 143 143 ARG H H 1 8.309 0.030 . 1 . . . . 143 R HN . 15726 1 714 . 1 1 143 143 ARG C C 13 176.105 0.030 . 1 . . . . 143 R C . 15726 1 715 . 1 1 143 143 ARG CA C 13 57.529 0.030 . 1 . . . . 143 R CA . 15726 1 716 . 1 1 143 143 ARG N N 15 125.14 0.030 . 1 . . . . 143 R N . 15726 1 717 . 1 1 144 144 ARG H H 1 8.796 0.030 . 1 . . . . 144 R HN . 15726 1 718 . 1 1 144 144 ARG CA C 13 54.371 0.030 . 1 . . . . 144 R CA . 15726 1 719 . 1 1 144 144 ARG N N 15 122.14 0.030 . 1 . . . . 144 R N . 15726 1 720 . 1 1 147 147 HIS C C 13 173.742 0.030 . 1 . . . . 147 H C . 15726 1 721 . 1 1 148 148 LYS H H 1 8.065 0.030 . 1 . . . . 148 K HN . 15726 1 722 . 1 1 148 148 LYS HA H 1 3.595 0.030 . 1 . . . . 148 K HA . 15726 1 723 . 1 1 148 148 LYS C C 13 175.102 0.030 . 1 . . . . 148 K C . 15726 1 724 . 1 1 148 148 LYS CA C 13 57.989 0.030 . 1 . . . . 148 K CA . 15726 1 725 . 1 1 148 148 LYS N N 15 112.89 0.030 . 1 . . . . 148 K N . 15726 1 726 . 1 1 149 149 ALA H H 1 8.155 0.030 . 1 . . . . 149 A HN . 15726 1 727 . 1 1 149 149 ALA HA H 1 4.47 0.030 . 1 . . . . 149 A HA . 15726 1 728 . 1 1 149 149 ALA CA C 13 54.026 0.030 . 1 . . . . 149 A CA . 15726 1 729 . 1 1 149 149 ALA CB C 13 19.326 0.030 . 1 . . . . 149 A CB . 15726 1 730 . 1 1 149 149 ALA N N 15 123.64 0.030 . 1 . . . . 149 A N . 15726 1 731 . 1 1 153 153 SER H H 1 6.835 0.030 . 1 . . . . 153 S HN . 15726 1 732 . 1 1 153 153 SER C C 13 172.682 0.030 . 1 . . . . 153 S C . 15726 1 733 . 1 1 153 153 SER CA C 13 54.183 0.030 . 1 . . . . 153 S CA . 15726 1 734 . 1 1 153 153 SER N N 15 111.64 0.030 . 1 . . . . 153 S N . 15726 1 735 . 1 1 154 154 ILE H H 1 8.719 0.030 . 1 . . . . 154 I HN . 15726 1 736 . 1 1 154 154 ILE HA H 1 5.278 0.030 . 1 . . . . 154 I HA . 15726 1 737 . 1 1 154 154 ILE C C 13 173.936 0.030 . 1 . . . . 154 I C . 15726 1 738 . 1 1 154 154 ILE CA C 13 58.41 0.030 . 1 . . . . 154 I CA . 15726 1 739 . 1 1 154 154 ILE CB C 13 41.001 0.030 . 1 . . . . 154 I CB . 15726 1 740 . 1 1 154 154 ILE N N 15 111.39 0.030 . 1 . . . . 154 I N . 15726 1 741 . 1 1 155 155 PHE H H 1 8.469 0.030 . 1 . . . . 155 F HN . 15726 1 742 . 1 1 155 155 PHE HA H 1 6.127 0.030 . 1 . . . . 155 F HA . 15726 1 743 . 1 1 155 155 PHE C C 13 176.076 0.030 . 1 . . . . 155 F C . 15726 1 744 . 1 1 155 155 PHE CA C 13 55.472 0.030 . 1 . . . . 155 F CA . 15726 1 745 . 1 1 155 155 PHE N N 15 114.89 0.030 . 1 . . . . 155 F N . 15726 1 746 . 1 1 156 156 VAL H H 1 9.638 0.030 . 1 . . . . 156 V HN . 15726 1 747 . 1 1 156 156 VAL HA H 1 5 0.030 . 1 . . . . 156 V HA . 15726 1 748 . 1 1 156 156 VAL C C 13 173.818 0.030 . 1 . . . . 156 V C . 15726 1 749 . 1 1 156 156 VAL CA C 13 59.548 0.030 . 1 . . . . 156 V CA . 15726 1 750 . 1 1 156 156 VAL CB C 13 35.096 0.030 . 1 . . . . 156 V CB . 15726 1 751 . 1 1 156 156 VAL N N 15 120.14 0.030 . 1 . . . . 156 V N . 15726 1 752 . 1 1 157 157 VAL H H 1 8.134 0.030 . 1 . . . . 157 V HN . 15726 1 753 . 1 1 157 157 VAL HA H 1 4.735 0.030 . 1 . . . . 157 V HA . 15726 1 754 . 1 1 157 157 VAL C C 13 176.415 0.030 . 1 . . . . 157 V C . 15726 1 755 . 1 1 157 157 VAL CA C 13 61.421 0.030 . 1 . . . . 157 V CA . 15726 1 756 . 1 1 157 157 VAL N N 15 124.64 0.030 . 1 . . . . 157 V N . 15726 1 757 . 1 1 158 158 PHE H H 1 8.889 0.030 . 1 . . . . 158 F HN . 15726 1 758 . 1 1 158 158 PHE HA H 1 4.987 0.030 . 1 . . . . 158 F HA . 15726 1 759 . 1 1 158 158 PHE C C 13 175.485 0.030 . 1 . . . . 158 F C . 15726 1 760 . 1 1 158 158 PHE CA C 13 58.667 0.030 . 1 . . . . 158 F CA . 15726 1 761 . 1 1 158 158 PHE CB C 13 40.167 0.030 . 1 . . . . 158 F CB . 15726 1 762 . 1 1 158 158 PHE N N 15 125.89 0.030 . 1 . . . . 158 F N . 15726 1 763 . 1 1 159 159 ASP H H 1 8.735 0.030 . 1 . . . . 159 D HN . 15726 1 764 . 1 1 159 159 ASP HA H 1 4.244 0.030 . 1 . . . . 159 D HA . 15726 1 765 . 1 1 159 159 ASP CA C 13 56.133 0.030 . 1 . . . . 159 D CA . 15726 1 766 . 1 1 159 159 ASP CB C 13 40.653 0.030 . 1 . . . . 159 D CB . 15726 1 767 . 1 1 159 159 ASP N N 15 118.39 0.030 . 1 . . . . 159 D N . 15726 1 768 . 1 1 160 160 SER C C 13 174.29 0.030 . 1 . . . . 160 S C . 15726 1 769 . 1 1 160 160 SER N N 15 118.39 0.030 . 1 . . . . 160 S N . 15726 1 770 . 1 1 161 161 ILE H H 1 9.099 0.030 . 1 . . . . 161 I HN . 15726 1 771 . 1 1 161 161 ILE HA H 1 3.9 0.030 . 1 . . . . 161 I HA . 15726 1 772 . 1 1 161 161 ILE C C 13 177.462 0.030 . 1 . . . . 161 I C . 15726 1 773 . 1 1 161 161 ILE CA C 13 64.836 0.030 . 1 . . . . 161 I CA . 15726 1 774 . 1 1 161 161 ILE CB C 13 37.875 0.030 . 1 . . . . 161 I CB . 15726 1 775 . 1 1 161 161 ILE N N 15 123.39 0.030 . 1 . . . . 161 I N . 15726 1 776 . 1 1 162 162 GLU H H 1 8.779 0.030 . 1 . . . . 162 E HN . 15726 1 777 . 1 1 162 162 GLU HA H 1 3.979 0.030 . 1 . . . . 162 E HA . 15726 1 778 . 1 1 162 162 GLU C C 13 179.528 0.030 . 1 . . . . 162 E C . 15726 1 779 . 1 1 162 162 GLU CA C 13 60.613 0.030 . 1 . . . . 162 E CA . 15726 1 780 . 1 1 162 162 GLU CB C 13 28.774 0.030 . 1 . . . . 162 E CB . 15726 1 781 . 1 1 162 162 GLU N N 15 120.39 0.030 . 1 . . . . 162 E N . 15726 1 782 . 1 1 163 163 SER H H 1 8.204 0.030 . 1 . . . . 163 S HN . 15726 1 783 . 1 1 163 163 SER HA H 1 4.138 0.030 . 1 . . . . 163 S HA . 15726 1 784 . 1 1 163 163 SER C C 13 176.607 0.030 . 1 . . . . 163 S C . 15726 1 785 . 1 1 163 163 SER CA C 13 61.201 0.030 . 1 . . . . 163 S CA . 15726 1 786 . 1 1 163 163 SER CB C 13 62.814 0.030 . 1 . . . . 163 S CB . 15726 1 787 . 1 1 163 163 SER N N 15 116.64 0.030 . 1 . . . . 163 S N . 15726 1 788 . 1 1 164 164 ALA H H 1 7.657 0.030 . 1 . . . . 164 A HN . 15726 1 789 . 1 1 164 164 ALA HA H 1 3.038 0.030 . 1 . . . . 164 A HA . 15726 1 790 . 1 1 164 164 ALA C C 13 177.743 0.030 . 1 . . . . 164 A C . 15726 1 791 . 1 1 164 164 ALA CA C 13 55.142 0.030 . 1 . . . . 164 A CA . 15726 1 792 . 1 1 164 164 ALA CB C 13 18.84 0.030 . 1 . . . . 164 A CB . 15726 1 793 . 1 1 164 164 ALA N N 15 124.89 0.030 . 1 . . . . 164 A N . 15726 1 794 . 1 1 165 165 LYS H H 1 8.825 0.030 . 1 . . . . 165 K HN . 15726 1 795 . 1 1 165 165 LYS HA H 1 3.985 0.030 . 1 . . . . 165 K HA . 15726 1 796 . 1 1 165 165 LYS C C 13 177.743 0.030 . 1 . . . . 165 K C . 15726 1 797 . 1 1 165 165 LYS CA C 13 60.283 0.030 . 1 . . . . 165 K CA . 15726 1 798 . 1 1 165 165 LYS CB C 13 33.012 0.030 . 1 . . . . 165 K CB . 15726 1 799 . 1 1 165 165 LYS N N 15 117.64 0.030 . 1 . . . . 165 K N . 15726 1 800 . 1 1 166 166 LYS H H 1 7.771 0.030 . 1 . . . . 166 K HN . 15726 1 801 . 1 1 166 166 LYS HA H 1 3.992 0.030 . 1 . . . . 166 K HA . 15726 1 802 . 1 1 166 166 LYS C C 13 178.613 0.030 . 1 . . . . 166 K C . 15726 1 803 . 1 1 166 166 LYS CA C 13 58.998 0.030 . 1 . . . . 166 K CA . 15726 1 804 . 1 1 166 166 LYS CB C 13 32.387 0.030 . 1 . . . . 166 K CB . 15726 1 805 . 1 1 166 166 LYS N N 15 117.14 0.030 . 1 . . . . 166 K N . 15726 1 806 . 1 1 167 167 PHE H H 1 7.414 0.030 . 1 . . . . 167 F HN . 15726 1 807 . 1 1 167 167 PHE HA H 1 4.178 0.030 . 1 . . . . 167 F HA . 15726 1 808 . 1 1 167 167 PHE C C 13 177.049 0.030 . 1 . . . . 167 F C . 15726 1 809 . 1 1 167 167 PHE CA C 13 61.495 0.030 . 1 . . . . 167 F CA . 15726 1 810 . 1 1 167 167 PHE CB C 13 39.82 0.030 . 1 . . . . 167 F CB . 15726 1 811 . 1 1 167 167 PHE N N 15 119.39 0.030 . 1 . . . . 167 F N . 15726 1 812 . 1 1 168 168 VAL H H 1 8.322 0.030 . 1 . . . . 168 V HN . 15726 1 813 . 1 1 168 168 VAL HA H 1 3.21 0.030 . 1 . . . . 168 V HA . 15726 1 814 . 1 1 168 168 VAL C C 13 178.875 0.030 . 1 . . . . 168 V C . 15726 1 815 . 1 1 168 168 VAL CA C 13 65.901 0.030 . 1 . . . . 168 V CA . 15726 1 816 . 1 1 168 168 VAL CB C 13 31.831 0.030 . 1 . . . . 168 V CB . 15726 1 817 . 1 1 168 168 VAL N N 15 118.39 0.030 . 1 . . . . 168 V N . 15726 1 818 . 1 1 169 169 GLU H H 1 8.067 0.030 . 1 . . . . 169 E HN . 15726 1 819 . 1 1 169 169 GLU HA H 1 4.138 0.030 . 1 . . . . 169 E HA . 15726 1 820 . 1 1 169 169 GLU C C 13 176.68 0.030 . 1 . . . . 169 E C . 15726 1 821 . 1 1 169 169 GLU CA C 13 56.647 0.030 . 1 . . . . 169 E CA . 15726 1 822 . 1 1 169 169 GLU CB C 13 29.121 0.030 . 1 . . . . 169 E CB . 15726 1 823 . 1 1 169 169 GLU N N 15 115.39 0.030 . 1 . . . . 169 E N . 15726 1 824 . 1 1 170 170 THR H H 1 7.234 0.030 . 1 . . . . 170 T HN . 15726 1 825 . 1 1 170 170 THR HA H 1 4.47 0.030 . 1 . . . . 170 T HA . 15726 1 826 . 1 1 170 170 THR CA C 13 61.458 0.030 . 1 . . . . 170 T CA . 15726 1 827 . 1 1 170 170 THR CB C 13 69.483 0.030 . 1 . . . . 170 T CB . 15726 1 828 . 1 1 170 170 THR N N 15 120.39 0.030 . 1 . . . . 170 T N . 15726 1 829 . 1 1 171 171 PRO HA H 1 4.655 0.030 . 1 . . . . 171 P HA . 15726 1 830 . 1 1 171 171 PRO C C 13 177.669 0.030 . 1 . . . . 171 P C . 15726 1 831 . 1 1 171 171 PRO CA C 13 62.467 0.030 . 1 . . . . 171 P CA . 15726 1 832 . 1 1 171 171 PRO CB C 13 32.664 0.030 . 1 . . . . 171 P CB . 15726 1 833 . 1 1 172 172 GLY H H 1 8.68 0.030 . 1 . . . . 172 G HN . 15726 1 834 . 1 1 172 172 GLY HA2 H 1 3.78 0.030 . 2 . . . . 172 G HA1 . 15726 1 835 . 1 1 172 172 GLY HA3 H 1 3.78 0.030 . 2 . . . . 172 G HA2 . 15726 1 836 . 1 1 172 172 GLY C C 13 175.618 0.030 . 1 . . . . 172 G C . 15726 1 837 . 1 1 172 172 GLY CA C 13 47.137 0.030 . 1 . . . . 172 G CA . 15726 1 838 . 1 1 172 172 GLY N N 15 107.39 0.030 . 1 . . . . 172 G N . 15726 1 839 . 1 1 173 173 GLN H H 1 8.566 0.030 . 1 . . . . 173 Q HN . 15726 1 840 . 1 1 173 173 GLN HA H 1 4.417 0.030 . 1 . . . . 173 Q HA . 15726 1 841 . 1 1 173 173 GLN C C 13 175.928 0.030 . 1 . . . . 173 Q C . 15726 1 842 . 1 1 173 173 GLN CA C 13 57.565 0.030 . 1 . . . . 173 Q CA . 15726 1 843 . 1 1 173 173 GLN CB C 13 30.094 0.030 . 1 . . . . 173 Q CB . 15726 1 844 . 1 1 173 173 GLN N N 15 119.14 0.030 . 1 . . . . 173 Q N . 15726 1 845 . 1 1 174 174 LYS H H 1 8.673 0.030 . 1 . . . . 174 K HN . 15726 1 846 . 1 1 174 174 LYS HA H 1 4.987 0.030 . 1 . . . . 174 K HA . 15726 1 847 . 1 1 174 174 LYS CA C 13 55.179 0.030 . 1 . . . . 174 K CA . 15726 1 848 . 1 1 174 174 LYS CB C 13 38.014 0.030 . 1 . . . . 174 K CB . 15726 1 849 . 1 1 174 174 LYS N N 15 122.14 0.030 . 1 . . . . 174 K N . 15726 1 850 . 1 1 175 175 TYR H H 1 8.229 0.030 . 1 . . . . 175 Y HN . 15726 1 851 . 1 1 175 175 TYR HA H 1 4.43 0.030 . 1 . . . . 175 Y HA . 15726 1 852 . 1 1 175 175 TYR C C 13 174.497 0.030 . 1 . . . . 175 Y C . 15726 1 853 . 1 1 175 175 TYR CA C 13 57.015 0.030 . 1 . . . . 175 Y CA . 15726 1 854 . 1 1 175 175 TYR CB C 13 40.306 0.030 . 1 . . . . 175 Y CB . 15726 1 855 . 1 1 175 175 TYR N N 15 121.39 0.030 . 1 . . . . 175 Y N . 15726 1 856 . 1 1 176 176 LYS H H 1 9.241 0.030 . 1 . . . . 176 K HN . 15726 1 857 . 1 1 176 176 LYS HA H 1 3.582 0.030 . 1 . . . . 176 K HA . 15726 1 858 . 1 1 176 176 LYS C C 13 176.151 0.030 . 1 . . . . 176 K C . 15726 1 859 . 1 1 176 176 LYS CA C 13 58.447 0.030 . 1 . . . . 176 K CA . 15726 1 860 . 1 1 176 176 LYS CB C 13 29.608 0.030 . 1 . . . . 176 K CB . 15726 1 861 . 1 1 176 176 LYS N N 15 127.14 0.030 . 1 . . . . 176 K N . 15726 1 862 . 1 1 177 177 GLU H H 1 8.417 0.030 . 1 . . . . 177 E HN . 15726 1 863 . 1 1 177 177 GLU HA H 1 4.098 0.030 . 1 . . . . 177 E HA . 15726 1 864 . 1 1 177 177 GLU C C 13 176.105 0.030 . 1 . . . . 177 E C . 15726 1 865 . 1 1 177 177 GLU CA C 13 57.224 0.030 . 1 . . . . 177 E CA . 15726 1 866 . 1 1 177 177 GLU CB C 13 28.844 0.030 . 1 . . . . 177 E CB . 15726 1 867 . 1 1 177 177 GLU N N 15 115.14 0.030 . 1 . . . . 177 E N . 15726 1 868 . 1 1 178 178 THR H H 1 8.371 0.030 . 1 . . . . 178 T HN . 15726 1 869 . 1 1 178 178 THR HA H 1 4.364 0.030 . 1 . . . . 178 T HA . 15726 1 870 . 1 1 178 178 THR C C 13 173.376 0.030 . 1 . . . . 178 T C . 15726 1 871 . 1 1 178 178 THR CA C 13 62.633 0.030 . 1 . . . . 178 T CA . 15726 1 872 . 1 1 178 178 THR CB C 13 70.248 0.030 . 1 . . . . 178 T CB . 15726 1 873 . 1 1 178 178 THR N N 15 119.64 0.030 . 1 . . . . 178 T N . 15726 1 874 . 1 1 179 179 ASP H H 1 8.525 0.030 . 1 . . . . 179 D HN . 15726 1 875 . 1 1 179 179 ASP HA H 1 4.443 0.030 . 1 . . . . 179 D HA . 15726 1 876 . 1 1 179 179 ASP C C 13 175.058 0.030 . 1 . . . . 179 D C . 15726 1 877 . 1 1 179 179 ASP CA C 13 55.766 0.030 . 1 . . . . 179 D CA . 15726 1 878 . 1 1 179 179 ASP CB C 13 41.348 0.030 . 1 . . . . 179 D CB . 15726 1 879 . 1 1 179 179 ASP N N 15 126.14 0.030 . 1 . . . . 179 D N . 15726 1 880 . 1 1 180 180 LEU H H 1 7.623 0.030 . 1 . . . . 180 L HN . 15726 1 881 . 1 1 180 180 LEU HA H 1 4.629 0.030 . 1 . . . . 180 L HA . 15726 1 882 . 1 1 180 180 LEU C C 13 176.164 0.030 . 1 . . . . 180 L C . 15726 1 883 . 1 1 180 180 LEU CA C 13 53.122 0.030 . 1 . . . . 180 L CA . 15726 1 884 . 1 1 180 180 LEU CB C 13 43.988 0.030 . 1 . . . . 180 L CB . 15726 1 885 . 1 1 180 180 LEU N N 15 120.89 0.030 . 1 . . . . 180 L N . 15726 1 886 . 1 1 181 181 LEU H H 1 8.445 0.030 . 1 . . . . 181 L HN . 15726 1 887 . 1 1 181 181 LEU HA H 1 4.629 0.030 . 1 . . . . 181 L HA . 15726 1 888 . 1 1 181 181 LEU C C 13 174.453 0.030 . 1 . . . . 181 L C . 15726 1 889 . 1 1 181 181 LEU CA C 13 54.408 0.030 . 1 . . . . 181 L CA . 15726 1 890 . 1 1 181 181 LEU CB C 13 43.641 0.030 . 1 . . . . 181 L CB . 15726 1 891 . 1 1 181 181 LEU N N 15 125.39 0.030 . 1 . . . . 181 L N . 15726 1 892 . 1 1 182 182 ILE H H 1 8.437 0.030 . 1 . . . . 182 I HN . 15726 1 893 . 1 1 182 182 ILE HA H 1 5.079 0.030 . 1 . . . . 182 I HA . 15726 1 894 . 1 1 182 182 ILE C C 13 174.866 0.030 . 1 . . . . 182 I C . 15726 1 895 . 1 1 182 182 ILE CA C 13 60.577 0.030 . 1 . . . . 182 I CA . 15726 1 896 . 1 1 182 182 ILE CB C 13 39.889 0.030 . 1 . . . . 182 I CB . 15726 1 897 . 1 1 182 182 ILE N N 15 127.39 0.030 . 1 . . . . 182 I N . 15726 1 898 . 1 1 183 183 LEU H H 1 9.213 0.030 . 1 . . . . 183 L HN . 15726 1 899 . 1 1 183 183 LEU HA H 1 5.053 0.030 . 1 . . . . 183 L HA . 15726 1 900 . 1 1 183 183 LEU C C 13 177.3 0.030 . 1 . . . . 183 L C . 15726 1 901 . 1 1 183 183 LEU CA C 13 53.086 0.030 . 1 . . . . 183 L CA . 15726 1 902 . 1 1 183 183 LEU N N 15 125.89 0.030 . 1 . . . . 183 L N . 15726 1 903 . 1 1 184 184 PHE H H 1 9.783 0.030 . 1 . . . . 184 F HN . 15726 1 904 . 1 1 184 184 PHE C C 13 178.038 0.030 . 1 . . . . 184 F C . 15726 1 905 . 1 1 184 184 PHE CA C 13 62.266 0.030 . 1 . . . . 184 F CA . 15726 1 906 . 1 1 184 184 PHE N N 15 121.14 0.030 . 1 . . . . 184 F N . 15726 1 907 . 1 1 185 185 LYS H H 1 9.099 0.030 . 1 . . . . 185 K HN . 15726 1 908 . 1 1 185 185 LYS C C 13 177.3 0.030 . 1 . . . . 185 K C . 15726 1 909 . 1 1 185 185 LYS CA C 13 61.384 0.030 . 1 . . . . 185 K CA . 15726 1 910 . 1 1 185 185 LYS CB C 13 33.359 0.030 . 1 . . . . 185 K CB . 15726 1 911 . 1 1 185 185 LYS N N 15 124.89 0.030 . 1 . . . . 185 K N . 15726 1 912 . 1 1 186 186 ASP H H 1 9.54 0.030 . 1 . . . . 186 D HN . 15726 1 913 . 1 1 186 186 ASP C C 13 178.628 0.030 . 1 . . . . 186 D C . 15726 1 914 . 1 1 186 186 ASP CA C 13 57.455 0.030 . 1 . . . . 186 D CA . 15726 1 915 . 1 1 186 186 ASP CB C 13 41.557 0.030 . 1 . . . . 186 D CB . 15726 1 916 . 1 1 186 186 ASP N N 15 116.64 0.030 . 1 . . . . 186 D N . 15726 1 917 . 1 1 187 187 ASP H H 1 7.28 0.030 . 1 . . . . 187 D HN . 15726 1 918 . 1 1 187 187 ASP HA H 1 4.642 0.030 . 1 . . . . 187 D HA . 15726 1 919 . 1 1 187 187 ASP C C 13 177.905 0.030 . 1 . . . . 187 D C . 15726 1 920 . 1 1 187 187 ASP CA C 13 56.611 0.030 . 1 . . . . 187 D CA . 15726 1 921 . 1 1 187 187 ASP CB C 13 41.487 0.030 . 1 . . . . 187 D CB . 15726 1 922 . 1 1 187 187 ASP N N 15 119.89 0.030 . 1 . . . . 187 D N . 15726 1 923 . 1 1 188 188 TYR H H 1 8.069 0.030 . 1 . . . . 188 Y HN . 15726 1 924 . 1 1 188 188 TYR HA H 1 3.86 0.030 . 1 . . . . 188 Y HA . 15726 1 925 . 1 1 188 188 TYR C C 13 176.607 0.030 . 1 . . . . 188 Y C . 15726 1 926 . 1 1 188 188 TYR CA C 13 60.944 0.030 . 1 . . . . 188 Y CA . 15726 1 927 . 1 1 188 188 TYR CB C 13 39.959 0.030 . 1 . . . . 188 Y CB . 15726 1 928 . 1 1 188 188 TYR N N 15 120.64 0.030 . 1 . . . . 188 Y N . 15726 1 929 . 1 1 189 189 PHE H H 1 7.924 0.030 . 1 . . . . 189 F HN . 15726 1 930 . 1 1 189 189 PHE HA H 1 3.82 0.030 . 1 . . . . 189 F HA . 15726 1 931 . 1 1 189 189 PHE C C 13 177.743 0.030 . 1 . . . . 189 F C . 15726 1 932 . 1 1 189 189 PHE CA C 13 60.737 0.030 . 1 . . . . 189 F CA . 15726 1 933 . 1 1 189 189 PHE CB C 13 41.348 0.030 . 1 . . . . 189 F CB . 15726 1 934 . 1 1 189 189 PHE N N 15 116.64 0.030 . 1 . . . . 189 F N . 15726 1 935 . 1 1 190 190 ALA H H 1 7.605 0.030 . 1 . . . . 190 A HN . 15726 1 936 . 1 1 190 190 ALA HA H 1 4.191 0.030 . 1 . . . . 190 A HA . 15726 1 937 . 1 1 190 190 ALA C C 13 170.805 0.030 . 1 . . . . 190 A C . 15726 1 938 . 1 1 190 190 ALA CA C 13 54.025 0.030 . 1 . . . . 190 A CA . 15726 1 939 . 1 1 190 190 ALA CB C 13 18.562 0.030 . 1 . . . . 190 A CB . 15726 1 940 . 1 1 190 190 ALA N N 15 120.64 0.030 . 1 . . . . 190 A N . 15726 1 941 . 1 1 191 191 LYS H H 1 7.541 0.030 . 1 . . . . 191 K HN . 15726 1 942 . 1 1 191 191 LYS C C 13 177.152 0.030 . 1 . . . . 191 K C . 15726 1 943 . 1 1 191 191 LYS CA C 13 55.879 0.030 . 1 . . . . 191 K CA . 15726 1 944 . 1 1 191 191 LYS CB C 13 33.081 0.030 . 1 . . . . 191 K CB . 15726 1 945 . 1 1 191 191 LYS N N 15 117.39 0.030 . 1 . . . . 191 K N . 15726 1 946 . 1 1 192 192 LYS H H 1 7.438 0.030 . 1 . . . . 192 K HN . 15726 1 947 . 1 1 192 192 LYS CA C 13 58.658 0.030 . 1 . . . . 192 K CA . 15726 1 948 . 1 1 192 192 LYS CB C 13 32.526 0.030 . 1 . . . . 192 K CB . 15726 1 949 . 1 1 192 192 LYS N N 15 121.89 0.030 . 1 . . . . 192 K N . 15726 1 950 . 1 1 193 193 ASN H H 1 8.37 0.030 . 1 . . . . 193 N HN . 15726 1 951 . 1 1 193 193 ASN HA H 1 4.523 0.030 . 1 . . . . 193 N HA . 15726 1 952 . 1 1 193 193 ASN C C 13 175.766 0.030 . 1 . . . . 193 N C . 15726 1 953 . 1 1 193 193 ASN CA C 13 54.427 0.030 . 1 . . . . 193 N CA . 15726 1 954 . 1 1 193 193 ASN CB C 13 38.361 0.030 . 1 . . . . 193 N CB . 15726 1 955 . 1 1 193 193 ASN N N 15 116.64 0.030 . 1 . . . . 193 N N . 15726 1 956 . 1 1 194 194 GLU H H 1 8.066 0.030 . 1 . . . . 194 E HN . 15726 1 957 . 1 1 194 194 GLU HA H 1 4.297 0.030 . 1 . . . . 194 E HA . 15726 1 958 . 1 1 194 194 GLU C C 13 177.241 0.030 . 1 . . . . 194 E C . 15726 1 959 . 1 1 194 194 GLU CA C 13 57.179 0.030 . 1 . . . . 194 E CA . 15726 1 960 . 1 1 194 194 GLU CB C 13 30.65 0.030 . 1 . . . . 194 E CB . 15726 1 961 . 1 1 194 194 GLU N N 15 119.14 0.030 . 1 . . . . 194 E N . 15726 1 962 . 1 1 195 195 VAL H H 1 7.889 0.030 . 1 . . . . 195 V HN . 15726 1 963 . 1 1 195 195 VAL C C 13 176.076 0.030 . 1 . . . . 195 V C . 15726 1 964 . 1 1 195 195 VAL CA C 13 62.854 0.030 . 1 . . . . 195 V CA . 15726 1 965 . 1 1 195 195 VAL CB C 13 32.942 0.030 . 1 . . . . 195 V CB . 15726 1 966 . 1 1 195 195 VAL N N 15 116.89 0.030 . 1 . . . . 195 V N . 15726 1 967 . 1 1 196 196 ASP H H 1 8.269 0.030 . 1 . . . . 196 D HN . 15726 1 968 . 1 1 196 196 ASP C C 13 175.264 0.030 . 1 . . . . 196 D C . 15726 1 969 . 1 1 196 196 ASP CA C 13 54.16 0.030 . 1 . . . . 196 D CA . 15726 1 970 . 1 1 196 196 ASP CB C 13 41.487 0.030 . 1 . . . . 196 D CB . 15726 1 971 . 1 1 196 196 ASP N N 15 122.39 0.030 . 1 . . . . 196 D N . 15726 1 972 . 1 1 197 197 SER H H 1 7.76 0.030 . 1 . . . . 197 S HN . 15726 1 973 . 1 1 197 197 SER CA C 13 60.062 0.030 . 1 . . . . 197 S CA . 15726 1 974 . 1 1 197 197 SER N N 15 121.14 0.030 . 1 . . . . 197 S N . 15726 1 stop_ save_