data_16146 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16146 _Entry.Title ; Backbone resonance assignment of Staphylococcal Enterotoxin H ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-29 _Entry.Accession_date 2009-01-29 _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 Saline . . . 16146 2 Vladislav Orekhov . . . 16146 3 Karin Lindkvist-Petersson . . . 16146 4 Goran Karlsson . B. . 16146 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Swedish NMR Centre' . 16146 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16146 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 396 16146 '15N chemical shifts' 207 16146 '1H chemical shifts' 207 16146 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 . . 2010-05-20 2009-01-29 update BMRB 'complete entry citation' 16146 1 . . 2009-03-02 2009-01-29 original author 'original release' 16146 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16146 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19888679 _Citation.Full_citation . _Citation.Title 'Backbone resonance assignment of Staphylococcal Enterotoxin H.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1 _Citation.Page_last 4 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Maria Saline . . . 16146 1 2 Vladislav Orekhov . . . 16146 1 3 Karin Lindkvist-Petersson . . . 16146 1 4 'B. Goran' Karlsson . . . 16146 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Backbone assignment' 16146 1 Superantigen 16146 1 'T-cell activation' 16146 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16146 _Assembly.ID 1 _Assembly.Name SEH _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 25143.2 _Assembly.Enzyme_commission_number . _Assembly.Details 'STAPHYLOCOCCAL ENTEROTOXIN H, a protein in the Superantigen group.' _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 SEH 1 $SEH A . yes native no no . . . 16146 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 82 82 SG . 1 . 1 CYS 92 92 SG . . . . . . . . . . 16146 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1ENF . . X-ray 1.69 . . 16146 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Activation of T-cells' 16146 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SEH _Entity.Sf_category entity _Entity.Sf_framecode SEH _Entity.Entry_ID 16146 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SEH _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EDLHDKSELTDLALANAYGQ YNHPFIKENIKSDEISGEKD LIFRNQGDSGNDLRVKFATA DLAQKFKNKNVDIYGASFYY KCEKISENISECLYGGTTLN SEKLAQERVIGANVWVDGIQ KETELIRTNKKNVTLQELDI KIRKILSDKYKIYYKDSEIS KGLIEFDMKTPRDYSFDIYD LKGENDYEIDKIYEDNKTLK SDDISHIDVNLYTKKKV ; _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 217 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25143.2 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1ENF . "Crystal Structure Of Staphylococcal Enterotoxin H Determined To 1.69 A Resolution" . . . . . 97.70 212 100.00 100.00 7.93e-149 . . . . 16146 1 2 no PDB 1EWC . "Crystal Structure Of Zn2+ Loaded Staphylococcal Enterotoxin H" . . . . . 98.62 214 99.53 99.53 4.72e-149 . . . . 16146 1 3 no PDB 1F77 . "Staphylococcal Enterotoxin H Determined To 2.4 A Resolution" . . . . . 100.00 217 100.00 100.00 6.57e-152 . . . . 16146 1 4 no PDB 1HXY . "Crystal Structure Of Staphylococcal Enterotoxin H In Complex With Human Mhc Class Ii" . . . . . 98.16 213 100.00 100.00 1.96e-149 . . . . 16146 1 5 no PDB 2XN9 . "Crystal Structure Of The Ternary Complex Between Human T Cell Receptor, Staphylococcal Enterotoxin H And Human Major Histocompa" . . . . . 100.00 217 100.00 100.00 6.57e-152 . . . . 16146 1 6 no PDB 2XNA . "Crystal Structure Of The Complex Between Human T Cell Receptor And Staphylococcal Enterotoxin" . . . . . 100.00 217 100.00 100.00 6.57e-152 . . . . 16146 1 7 no DBJ BAB85990 . "enterotoxin H, partial [Staphylococcus aureus]" . . . . . 100.00 217 100.00 100.00 6.57e-152 . . . . 16146 1 8 no DBJ BAB93916 . "enterotoxin H [Staphylococcus aureus subsp. aureus MW2]" . . . . . 100.00 241 100.00 100.00 3.16e-152 . . . . 16146 1 9 no EMBL CAG41819 . "enterotoxin H [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 100.00 241 100.00 100.00 3.16e-152 . . . . 16146 1 10 no EMBL CAI77676 . "enterotoxin H [Staphylococcus aureus]" . . . . . 100.00 241 100.00 100.00 3.16e-152 . . . . 16146 1 11 no EMBL CAI77677 . "enterotoxin H [Staphylococcus aureus]" . . . . . 100.00 241 100.00 100.00 3.16e-152 . . . . 16146 1 12 no EMBL CDR23430 . "enterotoxin H [Staphylococcus argenteus]" . . . . . 100.00 241 99.08 99.54 4.13e-151 . . . . 16146 1 13 no GB AAA19777 . "enterotoxin H [Staphylococcus aureus]" . . . . . 100.00 241 100.00 100.00 3.16e-152 . . . . 16146 1 14 no GB AAQ63188 . "enterotoxin H precursor [Staphylococcus aureus]" . . . . . 100.00 241 99.54 100.00 1.51e-151 . . . . 16146 1 15 no GB ABI98810 . "enterotoxin H [Staphylococcus aureus]" . . . . . 52.53 121 99.12 99.12 1.12e-73 . . . . 16146 1 16 no GB AII96788 . "enterotoxin H, partial [Staphylococcus aureus]" . . . . . 53.46 119 100.00 100.00 2.86e-77 . . . . 16146 1 17 no GB EFB46156 . "enterotoxin type H [Staphylococcus aureus subsp. aureus C427]" . . . . . 99.08 240 99.53 100.00 4.23e-150 . . . . 16146 1 18 no PRF 2023311A . exotoxin . . . . . 100.00 241 100.00 100.00 3.16e-152 . . . . 16146 1 19 no REF WP_000608674 . "enterotoxin [Staphylococcus aureus]" . . . . . 100.00 241 100.00 100.00 3.16e-152 . . . . 16146 1 20 no REF WP_000608675 . "enterotoxin [Staphylococcus aureus]" . . . . . 100.00 246 98.62 99.54 2.31e-150 . . . . 16146 1 21 no REF WP_000608676 . "enterotoxin [Staphylococcus aureus]" . . . . . 99.08 240 99.53 100.00 4.23e-150 . . . . 16146 1 22 no REF WP_047431826 . "enterotoxin [Staphylococcus aureus]" . . . . . 100.00 241 99.08 99.54 4.13e-151 . . . . 16146 1 23 no SP P0A0L9 . "RecName: Full=Enterotoxin type H; AltName: Full=SEH; Flags: Precursor" . . . . . 100.00 241 100.00 100.00 3.16e-152 . . . . 16146 1 24 no SP P0A0M0 . "RecName: Full=Enterotoxin type H; AltName: Full=SEH; Flags: Precursor" . . . . . 100.00 241 100.00 100.00 3.16e-152 . . . . 16146 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 . GLU . 16146 1 2 . ASP . 16146 1 3 . LEU . 16146 1 4 . HIS . 16146 1 5 . ASP . 16146 1 6 . LYS . 16146 1 7 . SER . 16146 1 8 . GLU . 16146 1 9 . LEU . 16146 1 10 . THR . 16146 1 11 . ASP . 16146 1 12 . LEU . 16146 1 13 . ALA . 16146 1 14 . LEU . 16146 1 15 . ALA . 16146 1 16 . ASN . 16146 1 17 . ALA . 16146 1 18 . TYR . 16146 1 19 . GLY . 16146 1 20 . GLN . 16146 1 21 . TYR . 16146 1 22 . ASN . 16146 1 23 . HIS . 16146 1 24 . PRO . 16146 1 25 . PHE . 16146 1 26 . ILE . 16146 1 27 . LYS . 16146 1 28 . GLU . 16146 1 29 . ASN . 16146 1 30 . ILE . 16146 1 31 . LYS . 16146 1 32 . SER . 16146 1 33 . ASP . 16146 1 34 . GLU . 16146 1 35 . ILE . 16146 1 36 . SER . 16146 1 37 . GLY . 16146 1 38 . GLU . 16146 1 39 . LYS . 16146 1 40 . ASP . 16146 1 41 . LEU . 16146 1 42 . ILE . 16146 1 43 . PHE . 16146 1 44 . ARG . 16146 1 45 . ASN . 16146 1 46 . GLN . 16146 1 47 . GLY . 16146 1 48 . ASP . 16146 1 49 . SER . 16146 1 50 . GLY . 16146 1 51 . ASN . 16146 1 52 . ASP . 16146 1 53 . LEU . 16146 1 54 . ARG . 16146 1 55 . VAL . 16146 1 56 . LYS . 16146 1 57 . PHE . 16146 1 58 . ALA . 16146 1 59 . THR . 16146 1 60 . ALA . 16146 1 61 . ASP . 16146 1 62 . LEU . 16146 1 63 . ALA . 16146 1 64 . GLN . 16146 1 65 . LYS . 16146 1 66 . PHE . 16146 1 67 . LYS . 16146 1 68 . ASN . 16146 1 69 . LYS . 16146 1 70 . ASN . 16146 1 71 . VAL . 16146 1 72 . ASP . 16146 1 73 . ILE . 16146 1 74 . TYR . 16146 1 75 . GLY . 16146 1 76 . ALA . 16146 1 77 . SER . 16146 1 78 . PHE . 16146 1 79 . TYR . 16146 1 80 . TYR . 16146 1 81 . LYS . 16146 1 82 . CYS . 16146 1 83 . GLU . 16146 1 84 . LYS . 16146 1 85 . ILE . 16146 1 86 . SER . 16146 1 87 . GLU . 16146 1 88 . ASN . 16146 1 89 . ILE . 16146 1 90 . SER . 16146 1 91 . GLU . 16146 1 92 . CYS . 16146 1 93 . LEU . 16146 1 94 . TYR . 16146 1 95 . GLY . 16146 1 96 . GLY . 16146 1 97 . THR . 16146 1 98 . THR . 16146 1 99 . LEU . 16146 1 100 . ASN . 16146 1 101 . SER . 16146 1 102 . GLU . 16146 1 103 . LYS . 16146 1 104 . LEU . 16146 1 105 . ALA . 16146 1 106 . GLN . 16146 1 107 . GLU . 16146 1 108 . ARG . 16146 1 109 . VAL . 16146 1 110 . ILE . 16146 1 111 . GLY . 16146 1 112 . ALA . 16146 1 113 . ASN . 16146 1 114 . VAL . 16146 1 115 . TRP . 16146 1 116 . VAL . 16146 1 117 . ASP . 16146 1 118 . GLY . 16146 1 119 . ILE . 16146 1 120 . GLN . 16146 1 121 . LYS . 16146 1 122 . GLU . 16146 1 123 . THR . 16146 1 124 . GLU . 16146 1 125 . LEU . 16146 1 126 . ILE . 16146 1 127 . ARG . 16146 1 128 . THR . 16146 1 129 . ASN . 16146 1 130 . LYS . 16146 1 131 . LYS . 16146 1 132 . ASN . 16146 1 133 . VAL . 16146 1 134 . THR . 16146 1 135 . LEU . 16146 1 136 . GLN . 16146 1 137 . GLU . 16146 1 138 . LEU . 16146 1 139 . ASP . 16146 1 140 . ILE . 16146 1 141 . LYS . 16146 1 142 . ILE . 16146 1 143 . ARG . 16146 1 144 . LYS . 16146 1 145 . ILE . 16146 1 146 . LEU . 16146 1 147 . SER . 16146 1 148 . ASP . 16146 1 149 . LYS . 16146 1 150 . TYR . 16146 1 151 . LYS . 16146 1 152 . ILE . 16146 1 153 . TYR . 16146 1 154 . TYR . 16146 1 155 . LYS . 16146 1 156 . ASP . 16146 1 157 . SER . 16146 1 158 . GLU . 16146 1 159 . ILE . 16146 1 160 . SER . 16146 1 161 . LYS . 16146 1 162 . GLY . 16146 1 163 . LEU . 16146 1 164 . ILE . 16146 1 165 . GLU . 16146 1 166 . PHE . 16146 1 167 . ASP . 16146 1 168 . MET . 16146 1 169 . LYS . 16146 1 170 . THR . 16146 1 171 . PRO . 16146 1 172 . ARG . 16146 1 173 . ASP . 16146 1 174 . TYR . 16146 1 175 . SER . 16146 1 176 . PHE . 16146 1 177 . ASP . 16146 1 178 . ILE . 16146 1 179 . TYR . 16146 1 180 . ASP . 16146 1 181 . LEU . 16146 1 182 . LYS . 16146 1 183 . GLY . 16146 1 184 . GLU . 16146 1 185 . ASN . 16146 1 186 . ASP . 16146 1 187 . TYR . 16146 1 188 . GLU . 16146 1 189 . ILE . 16146 1 190 . ASP . 16146 1 191 . LYS . 16146 1 192 . ILE . 16146 1 193 . TYR . 16146 1 194 . GLU . 16146 1 195 . ASP . 16146 1 196 . ASN . 16146 1 197 . LYS . 16146 1 198 . THR . 16146 1 199 . LEU . 16146 1 200 . LYS . 16146 1 201 . SER . 16146 1 202 . ASP . 16146 1 203 . ASP . 16146 1 204 . ILE . 16146 1 205 . SER . 16146 1 206 . HIS . 16146 1 207 . ILE . 16146 1 208 . ASP . 16146 1 209 . VAL . 16146 1 210 . ASN . 16146 1 211 . LEU . 16146 1 212 . TYR . 16146 1 213 . THR . 16146 1 214 . LYS . 16146 1 215 . LYS . 16146 1 216 . LYS . 16146 1 217 . VAL . 16146 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 . GLU 1 1 16146 1 . ASP 2 2 16146 1 . LEU 3 3 16146 1 . HIS 4 4 16146 1 . ASP 5 5 16146 1 . LYS 6 6 16146 1 . SER 7 7 16146 1 . GLU 8 8 16146 1 . LEU 9 9 16146 1 . THR 10 10 16146 1 . ASP 11 11 16146 1 . LEU 12 12 16146 1 . ALA 13 13 16146 1 . LEU 14 14 16146 1 . ALA 15 15 16146 1 . ASN 16 16 16146 1 . ALA 17 17 16146 1 . TYR 18 18 16146 1 . GLY 19 19 16146 1 . GLN 20 20 16146 1 . TYR 21 21 16146 1 . ASN 22 22 16146 1 . HIS 23 23 16146 1 . PRO 24 24 16146 1 . PHE 25 25 16146 1 . ILE 26 26 16146 1 . LYS 27 27 16146 1 . GLU 28 28 16146 1 . ASN 29 29 16146 1 . ILE 30 30 16146 1 . LYS 31 31 16146 1 . SER 32 32 16146 1 . ASP 33 33 16146 1 . GLU 34 34 16146 1 . ILE 35 35 16146 1 . SER 36 36 16146 1 . GLY 37 37 16146 1 . GLU 38 38 16146 1 . LYS 39 39 16146 1 . ASP 40 40 16146 1 . LEU 41 41 16146 1 . ILE 42 42 16146 1 . PHE 43 43 16146 1 . ARG 44 44 16146 1 . ASN 45 45 16146 1 . GLN 46 46 16146 1 . GLY 47 47 16146 1 . ASP 48 48 16146 1 . SER 49 49 16146 1 . GLY 50 50 16146 1 . ASN 51 51 16146 1 . ASP 52 52 16146 1 . LEU 53 53 16146 1 . ARG 54 54 16146 1 . VAL 55 55 16146 1 . LYS 56 56 16146 1 . PHE 57 57 16146 1 . ALA 58 58 16146 1 . THR 59 59 16146 1 . ALA 60 60 16146 1 . ASP 61 61 16146 1 . LEU 62 62 16146 1 . ALA 63 63 16146 1 . GLN 64 64 16146 1 . LYS 65 65 16146 1 . PHE 66 66 16146 1 . LYS 67 67 16146 1 . ASN 68 68 16146 1 . LYS 69 69 16146 1 . ASN 70 70 16146 1 . VAL 71 71 16146 1 . ASP 72 72 16146 1 . ILE 73 73 16146 1 . TYR 74 74 16146 1 . GLY 75 75 16146 1 . ALA 76 76 16146 1 . SER 77 77 16146 1 . PHE 78 78 16146 1 . TYR 79 79 16146 1 . TYR 80 80 16146 1 . LYS 81 81 16146 1 . CYS 82 82 16146 1 . GLU 83 83 16146 1 . LYS 84 84 16146 1 . ILE 85 85 16146 1 . SER 86 86 16146 1 . GLU 87 87 16146 1 . ASN 88 88 16146 1 . ILE 89 89 16146 1 . SER 90 90 16146 1 . GLU 91 91 16146 1 . CYS 92 92 16146 1 . LEU 93 93 16146 1 . TYR 94 94 16146 1 . GLY 95 95 16146 1 . GLY 96 96 16146 1 . THR 97 97 16146 1 . THR 98 98 16146 1 . LEU 99 99 16146 1 . ASN 100 100 16146 1 . SER 101 101 16146 1 . GLU 102 102 16146 1 . LYS 103 103 16146 1 . LEU 104 104 16146 1 . ALA 105 105 16146 1 . GLN 106 106 16146 1 . GLU 107 107 16146 1 . ARG 108 108 16146 1 . VAL 109 109 16146 1 . ILE 110 110 16146 1 . GLY 111 111 16146 1 . ALA 112 112 16146 1 . ASN 113 113 16146 1 . VAL 114 114 16146 1 . TRP 115 115 16146 1 . VAL 116 116 16146 1 . ASP 117 117 16146 1 . GLY 118 118 16146 1 . ILE 119 119 16146 1 . GLN 120 120 16146 1 . LYS 121 121 16146 1 . GLU 122 122 16146 1 . THR 123 123 16146 1 . GLU 124 124 16146 1 . LEU 125 125 16146 1 . ILE 126 126 16146 1 . ARG 127 127 16146 1 . THR 128 128 16146 1 . ASN 129 129 16146 1 . LYS 130 130 16146 1 . LYS 131 131 16146 1 . ASN 132 132 16146 1 . VAL 133 133 16146 1 . THR 134 134 16146 1 . LEU 135 135 16146 1 . GLN 136 136 16146 1 . GLU 137 137 16146 1 . LEU 138 138 16146 1 . ASP 139 139 16146 1 . ILE 140 140 16146 1 . LYS 141 141 16146 1 . ILE 142 142 16146 1 . ARG 143 143 16146 1 . LYS 144 144 16146 1 . ILE 145 145 16146 1 . LEU 146 146 16146 1 . SER 147 147 16146 1 . ASP 148 148 16146 1 . LYS 149 149 16146 1 . TYR 150 150 16146 1 . LYS 151 151 16146 1 . ILE 152 152 16146 1 . TYR 153 153 16146 1 . TYR 154 154 16146 1 . LYS 155 155 16146 1 . ASP 156 156 16146 1 . SER 157 157 16146 1 . GLU 158 158 16146 1 . ILE 159 159 16146 1 . SER 160 160 16146 1 . LYS 161 161 16146 1 . GLY 162 162 16146 1 . LEU 163 163 16146 1 . ILE 164 164 16146 1 . GLU 165 165 16146 1 . PHE 166 166 16146 1 . ASP 167 167 16146 1 . MET 168 168 16146 1 . LYS 169 169 16146 1 . THR 170 170 16146 1 . PRO 171 171 16146 1 . ARG 172 172 16146 1 . ASP 173 173 16146 1 . TYR 174 174 16146 1 . SER 175 175 16146 1 . PHE 176 176 16146 1 . ASP 177 177 16146 1 . ILE 178 178 16146 1 . TYR 179 179 16146 1 . ASP 180 180 16146 1 . LEU 181 181 16146 1 . LYS 182 182 16146 1 . GLY 183 183 16146 1 . GLU 184 184 16146 1 . ASN 185 185 16146 1 . ASP 186 186 16146 1 . TYR 187 187 16146 1 . GLU 188 188 16146 1 . ILE 189 189 16146 1 . ASP 190 190 16146 1 . LYS 191 191 16146 1 . ILE 192 192 16146 1 . TYR 193 193 16146 1 . GLU 194 194 16146 1 . ASP 195 195 16146 1 . ASN 196 196 16146 1 . LYS 197 197 16146 1 . THR 198 198 16146 1 . LEU 199 199 16146 1 . LYS 200 200 16146 1 . SER 201 201 16146 1 . ASP 202 202 16146 1 . ASP 203 203 16146 1 . ILE 204 204 16146 1 . SER 205 205 16146 1 . HIS 206 206 16146 1 . ILE 207 207 16146 1 . ASP 208 208 16146 1 . VAL 209 209 16146 1 . ASN 210 210 16146 1 . LEU 211 211 16146 1 . TYR 212 212 16146 1 . THR 213 213 16146 1 . LYS 214 214 16146 1 . LYS 215 215 16146 1 . LYS 216 216 16146 1 . VAL 217 217 16146 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 16146 _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 $SEH . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus UL635 . . . . . . . . . . . . . . . . . . . . 16146 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 16146 _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 $SEH . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli UL635 . . . . . . . . . . . . . . . PLR16 . . . . . . 16146 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16146 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '3 mm shigemi tube; 100 uL' _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 SEH '[U-100% 13C; U-100% 15N; 80% 2H]' . . 1 $SEH . . 0.8 . . mM . . . . 16146 1 2 'ammonium acetate' 'natural abundance' . . . . . . 300 . . mM . . . . 16146 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16146 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16146 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SEH '[U-100% 13C; U-100% 15N]' . . 1 $SEH . . 1.6 . . mM . . . . 16146 2 2 TRIS 'natural abundance' . . . . . . 20 . . uM . . . . 16146 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . uM . . . . 16146 2 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 16146 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 16146 1 pH 6.8 . pH 16146 1 pressure 1 . atm 16146 1 temperature 313 . K 16146 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 16146 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 16146 2 pH 7.0 . pH 16146 2 temperature 313 . K 16146 2 stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 16146 _Software.ID 1 _Software.Name CCPN _Software.Version . _Software.Details CCPN loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . http://www.ccpn.ac.uk/ 16146 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16146 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16146 _Software.ID 2 _Software.Name NMRDraw _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' . http://spin.niddk.nih.gov/NMRPipe/ 16146 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16146 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16146 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with a coldprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16146 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 900 'with a coldprobe' . . 16146 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 16146 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16146 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16146 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16146 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16146 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16146 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16146 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16146 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16146 1 9 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16146 1 10 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16146 1 11 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16146 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 16146 _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 . . . . . . . . . 16146 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16146 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16146 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 16146 _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' . . . 16146 1 3 '3D HNCA' . . . 16146 1 4 '3D HNCACB' . . . 16146 1 5 '3D HN(CO)CA' . . . 16146 1 6 '3D 1H-15N NOESY' . . . 16146 1 7 '3D 1H-15N TOCSY' . . . 16146 1 8 '2D 1H-15N HSQC' . . . 16146 1 9 '3D HNCA' . . . 16146 1 10 '3D HNCACB' . . . 16146 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CCPN . . 16146 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 LEU H H 1 8.071 0.005 . 1 . . . . 3 LEU H . 16146 1 2 . 1 1 3 3 LEU CB C 13 41.505 0.05 . 1 . . . . 3 LEU CB . 16146 1 3 . 1 1 3 3 LEU N N 15 121.723 0.033 . 1 . . . . 3 LEU N . 16146 1 4 . 1 1 4 4 HIS H H 1 10.641 0.001 . 1 . . . . 4 HIS H . 16146 1 5 . 1 1 4 4 HIS CA C 13 56.723 0.001 . 1 . . . . 4 HIS CA . 16146 1 6 . 1 1 4 4 HIS N N 15 122.350 0.019 . 1 . . . . 4 HIS N . 16146 1 7 . 1 1 5 5 ASP H H 1 8.590 0.001 . 1 . . . . 5 ASP H . 16146 1 8 . 1 1 5 5 ASP CA C 13 52.356 0.064 . 1 . . . . 5 ASP CA . 16146 1 9 . 1 1 5 5 ASP CB C 13 45.938 0.05 . 1 . . . . 5 ASP CB . 16146 1 10 . 1 1 5 5 ASP N N 15 122.198 0.019 . 1 . . . . 5 ASP N . 16146 1 11 . 1 1 6 6 LYS H H 1 9.212 0.002 . 1 . . . . 6 LYS H . 16146 1 12 . 1 1 6 6 LYS CA C 13 59.691 0.05 . 1 . . . . 6 LYS CA . 16146 1 13 . 1 1 6 6 LYS CB C 13 31.736 0.05 . 1 . . . . 6 LYS CB . 16146 1 14 . 1 1 6 6 LYS N N 15 128.956 0.022 . 1 . . . . 6 LYS N . 16146 1 15 . 1 1 7 7 SER H H 1 9.181 0.001 . 1 . . . . 7 SER H . 16146 1 16 . 1 1 7 7 SER CA C 13 60.520 0.05 . 1 . . . . 7 SER CA . 16146 1 17 . 1 1 7 7 SER CB C 13 62.528 0.05 . 1 . . . . 7 SER CB . 16146 1 18 . 1 1 7 7 SER N N 15 112.548 0.042 . 1 . . . . 7 SER N . 16146 1 19 . 1 1 8 8 GLU H H 1 8.128 0.002 . 1 . . . . 8 GLU H . 16146 1 20 . 1 1 8 8 GLU CA C 13 56.917 0.05 . 1 . . . . 8 GLU CA . 16146 1 21 . 1 1 8 8 GLU CB C 13 32.847 0.05 . 1 . . . . 8 GLU CB . 16146 1 22 . 1 1 8 8 GLU N N 15 120.412 0.014 . 1 . . . . 8 GLU N . 16146 1 23 . 1 1 9 9 LEU H H 1 7.625 0.001 . 1 . . . . 9 LEU H . 16146 1 24 . 1 1 9 9 LEU CA C 13 53.815 0.05 . 1 . . . . 9 LEU CA . 16146 1 25 . 1 1 9 9 LEU CB C 13 42.259 0.05 . 1 . . . . 9 LEU CB . 16146 1 26 . 1 1 9 9 LEU N N 15 118.912 0.008 . 1 . . . . 9 LEU N . 16146 1 27 . 1 1 10 10 THR H H 1 8.185 0.002 . 1 . . . . 10 THR H . 16146 1 28 . 1 1 10 10 THR CA C 13 60.483 0.065 . 1 . . . . 10 THR CA . 16146 1 29 . 1 1 10 10 THR CB C 13 70.518 0.05 . 1 . . . . 10 THR CB . 16146 1 30 . 1 1 10 10 THR N N 15 111.944 0.033 . 1 . . . . 10 THR N . 16146 1 31 . 1 1 11 11 ASP H H 1 8.652 0.001 . 1 . . . . 11 ASP H . 16146 1 32 . 1 1 11 11 ASP CA C 13 57.241 0.05 . 1 . . . . 11 ASP CA . 16146 1 33 . 1 1 11 11 ASP CB C 13 39.140 0.05 . 1 . . . . 11 ASP CB . 16146 1 34 . 1 1 11 11 ASP N N 15 120.024 0.024 . 1 . . . . 11 ASP N . 16146 1 35 . 1 1 12 12 LEU H H 1 8.088 0.002 . 1 . . . . 12 LEU H . 16146 1 36 . 1 1 12 12 LEU CA C 13 57.339 0.05 . 1 . . . . 12 LEU CA . 16146 1 37 . 1 1 12 12 LEU CB C 13 41.095 0.05 . 1 . . . . 12 LEU CB . 16146 1 38 . 1 1 12 12 LEU N N 15 120.892 0.030 . 1 . . . . 12 LEU N . 16146 1 39 . 1 1 13 13 ALA H H 1 7.899 0.001 . 1 . . . . 13 ALA H . 16146 1 40 . 1 1 13 13 ALA CA C 13 54.940 0.05 . 1 . . . . 13 ALA CA . 16146 1 41 . 1 1 13 13 ALA CB C 13 18.357 0.05 . 1 . . . . 13 ALA CB . 16146 1 42 . 1 1 13 13 ALA N N 15 121.715 0.022 . 1 . . . . 13 ALA N . 16146 1 43 . 1 1 14 14 LEU H H 1 7.864 0.001 . 1 . . . . 14 LEU H . 16146 1 44 . 1 1 14 14 LEU CA C 13 57.916 0.05 . 1 . . . . 14 LEU CA . 16146 1 45 . 1 1 14 14 LEU CB C 13 41.199 0.05 . 1 . . . . 14 LEU CB . 16146 1 46 . 1 1 14 14 LEU N N 15 115.020 0.012 . 1 . . . . 14 LEU N . 16146 1 47 . 1 1 15 15 ALA H H 1 8.069 0.002 . 1 . . . . 15 ALA H . 16146 1 48 . 1 1 15 15 ALA CA C 13 54.603 0.052 . 1 . . . . 15 ALA CA . 16146 1 49 . 1 1 15 15 ALA CB C 13 17.455 0.05 . 1 . . . . 15 ALA CB . 16146 1 50 . 1 1 15 15 ALA N N 15 120.492 0.003 . 1 . . . . 15 ALA N . 16146 1 51 . 1 1 16 16 ASN H H 1 8.956 0.001 . 1 . . . . 16 ASN H . 16146 1 52 . 1 1 16 16 ASN CA C 13 54.703 0.05 . 1 . . . . 16 ASN CA . 16146 1 53 . 1 1 16 16 ASN CB C 13 36.003 0.05 . 1 . . . . 16 ASN CB . 16146 1 54 . 1 1 16 16 ASN N N 15 120.016 0.036 . 1 . . . . 16 ASN N . 16146 1 55 . 1 1 17 17 ALA H H 1 8.844 0.009 . 1 . . . . 17 ALA H . 16146 1 56 . 1 1 17 17 ALA CA C 13 55.720 0.172 . 1 . . . . 17 ALA CA . 16146 1 57 . 1 1 17 17 ALA CB C 13 15.511 0.05 . 1 . . . . 17 ALA CB . 16146 1 58 . 1 1 17 17 ALA N N 15 125.825 0.188 . 1 . . . . 17 ALA N . 16146 1 59 . 1 1 18 18 TYR H H 1 8.541 0.001 . 1 . . . . 18 TYR H . 16146 1 60 . 1 1 18 18 TYR CA C 13 62.493 0.027 . 1 . . . . 18 TYR CA . 16146 1 61 . 1 1 18 18 TYR CB C 13 37.289 0.05 . 1 . . . . 18 TYR CB . 16146 1 62 . 1 1 18 18 TYR N N 15 116.021 0.011 . 1 . . . . 18 TYR N . 16146 1 63 . 1 1 19 19 GLY H H 1 8.406 0.002 . 1 . . . . 19 GLY H . 16146 1 64 . 1 1 19 19 GLY CA C 13 47.271 0.05 . 1 . . . . 19 GLY CA . 16146 1 65 . 1 1 19 19 GLY N N 15 105.212 0.03 . 1 . . . . 19 GLY N . 16146 1 66 . 1 1 20 20 GLN H H 1 8.349 0.002 . 1 . . . . 20 GLN H . 16146 1 67 . 1 1 20 20 GLN CA C 13 57.150 0.05 . 1 . . . . 20 GLN CA . 16146 1 68 . 1 1 20 20 GLN CB C 13 28.188 0.05 . 1 . . . . 20 GLN CB . 16146 1 69 . 1 1 20 20 GLN N N 15 119.197 0.03 . 1 . . . . 20 GLN N . 16146 1 70 . 1 1 21 21 TYR H H 1 7.606 0.001 . 1 . . . . 21 TYR H . 16146 1 71 . 1 1 21 21 TYR CA C 13 61.079 0.05 . 1 . . . . 21 TYR CA . 16146 1 72 . 1 1 21 21 TYR CB C 13 36.231 0.05 . 1 . . . . 21 TYR CB . 16146 1 73 . 1 1 21 21 TYR N N 15 112.707 0.003 . 1 . . . . 21 TYR N . 16146 1 74 . 1 1 22 22 ASN H H 1 7.207 0.002 . 1 . . . . 22 ASN H . 16146 1 75 . 1 1 22 22 ASN CA C 13 54.077 0.05 . 1 . . . . 22 ASN CA . 16146 1 76 . 1 1 22 22 ASN CB C 13 39.865 0.05 . 1 . . . . 22 ASN CB . 16146 1 77 . 1 1 22 22 ASN N N 15 110.793 0.031 . 1 . . . . 22 ASN N . 16146 1 78 . 1 1 23 23 HIS H H 1 7.274 0.001 . 1 . . . . 23 HIS H . 16146 1 79 . 1 1 23 23 HIS CA C 13 53.585 0.05 . 1 . . . . 23 HIS CA . 16146 1 80 . 1 1 23 23 HIS CB C 13 28.706 0.05 . 1 . . . . 23 HIS CB . 16146 1 81 . 1 1 23 23 HIS N N 15 115.731 0.010 . 1 . . . . 23 HIS N . 16146 1 82 . 1 1 24 24 PRO CA C 13 62.834 0.05 . 1 . . . . 24 PRO CA . 16146 1 83 . 1 1 24 24 PRO CB C 13 31.446 0.05 . 1 . . . . 24 PRO CB . 16146 1 84 . 1 1 25 25 PHE H H 1 9.387 0.002 . 1 . . . . 25 PHE H . 16146 1 85 . 1 1 25 25 PHE CA C 13 58.055 0.05 . 1 . . . . 25 PHE CA . 16146 1 86 . 1 1 25 25 PHE CB C 13 38.929 0.05 . 1 . . . . 25 PHE CB . 16146 1 87 . 1 1 25 25 PHE N N 15 124.644 0.018 . 1 . . . . 25 PHE N . 16146 1 88 . 1 1 26 26 ILE H H 1 6.841 0.001 . 1 . . . . 26 ILE H . 16146 1 89 . 1 1 26 26 ILE CA C 13 59.223 0.05 . 1 . . . . 26 ILE CA . 16146 1 90 . 1 1 26 26 ILE CB C 13 40.458 0.05 . 1 . . . . 26 ILE CB . 16146 1 91 . 1 1 26 26 ILE N N 15 125.021 0.013 . 1 . . . . 26 ILE N . 16146 1 92 . 1 1 27 27 LYS H H 1 8.471 0.001 . 1 . . . . 27 LYS H . 16146 1 93 . 1 1 27 27 LYS CA C 13 56.003 0.05 . 1 . . . . 27 LYS CA . 16146 1 94 . 1 1 27 27 LYS CB C 13 35.711 0.05 . 1 . . . . 27 LYS CB . 16146 1 95 . 1 1 27 27 LYS N N 15 127.076 0.012 . 1 . . . . 27 LYS N . 16146 1 96 . 1 1 28 28 GLU H H 1 8.304 0.001 . 1 . . . . 28 GLU H . 16146 1 97 . 1 1 28 28 GLU CA C 13 54.849 0.05 . 1 . . . . 28 GLU CA . 16146 1 98 . 1 1 28 28 GLU CB C 13 31.752 0.05 . 1 . . . . 28 GLU CB . 16146 1 99 . 1 1 28 28 GLU N N 15 122.501 0.004 . 1 . . . . 28 GLU N . 16146 1 100 . 1 1 29 29 ASN H H 1 9.058 0.001 . 1 . . . . 29 ASN H . 16146 1 101 . 1 1 29 29 ASN CA C 13 53.327 0.05 . 1 . . . . 29 ASN CA . 16146 1 102 . 1 1 29 29 ASN CB C 13 36.468 0.05 . 1 . . . . 29 ASN CB . 16146 1 103 . 1 1 29 29 ASN N N 15 121.774 0.021 . 1 . . . . 29 ASN N . 16146 1 104 . 1 1 30 30 ILE H H 1 8.839 0.001 . 1 . . . . 30 ILE H . 16146 1 105 . 1 1 30 30 ILE CA C 13 60.167 0.05 . 1 . . . . 30 ILE CA . 16146 1 106 . 1 1 30 30 ILE CB C 13 40.949 0.001 . 1 . . . . 30 ILE CB . 16146 1 107 . 1 1 30 30 ILE N N 15 114.296 0.015 . 1 . . . . 30 ILE N . 16146 1 108 . 1 1 31 31 LYS H H 1 8.338 0.002 . 1 . . . . 31 LYS H . 16146 1 109 . 1 1 31 31 LYS CA C 13 56.061 0.031 . 1 . . . . 31 LYS CA . 16146 1 110 . 1 1 31 31 LYS CB C 13 35.215 0.05 . 1 . . . . 31 LYS CB . 16146 1 111 . 1 1 31 31 LYS N N 15 118.732 0.136 . 1 . . . . 31 LYS N . 16146 1 112 . 1 1 32 32 SER H H 1 9.844 0.001 . 1 . . . . 32 SER H . 16146 1 113 . 1 1 32 32 SER CA C 13 56.063 0.05 . 1 . . . . 32 SER CA . 16146 1 114 . 1 1 32 32 SER CB C 13 63.360 0.05 . 1 . . . . 32 SER CB . 16146 1 115 . 1 1 32 32 SER N N 15 122.726 0.021 . 1 . . . . 32 SER N . 16146 1 116 . 1 1 33 33 ASP H H 1 8.653 0.002 . 1 . . . . 33 ASP H . 16146 1 117 . 1 1 33 33 ASP CA C 13 52.540 0.05 . 1 . . . . 33 ASP CA . 16146 1 118 . 1 1 33 33 ASP N N 15 127.289 0.004 . 1 . . . . 33 ASP N . 16146 1 119 . 1 1 34 34 GLU H H 1 8.614 0.002 . 1 . . . . 34 GLU H . 16146 1 120 . 1 1 34 34 GLU CA C 13 55.710 0.05 . 1 . . . . 34 GLU CA . 16146 1 121 . 1 1 34 34 GLU CB C 13 31.730 0.05 . 1 . . . . 34 GLU CB . 16146 1 122 . 1 1 34 34 GLU N N 15 123.273 0.015 . 1 . . . . 34 GLU N . 16146 1 123 . 1 1 35 35 ILE H H 1 8.147 0.002 . 1 . . . . 35 ILE H . 16146 1 124 . 1 1 35 35 ILE CA C 13 58.656 0.05 . 1 . . . . 35 ILE CA . 16146 1 125 . 1 1 35 35 ILE CB C 13 38.599 0.05 . 1 . . . . 35 ILE CB . 16146 1 126 . 1 1 35 35 ILE N N 15 125.712 0.016 . 1 . . . . 35 ILE N . 16146 1 127 . 1 1 36 36 SER H H 1 9.094 0.001 . 1 . . . . 36 SER H . 16146 1 128 . 1 1 36 36 SER CA C 13 55.754 0.05 . 1 . . . . 36 SER CA . 16146 1 129 . 1 1 36 36 SER CB C 13 63.844 0.05 . 1 . . . . 36 SER CB . 16146 1 130 . 1 1 36 36 SER N N 15 122.345 0.015 . 1 . . . . 36 SER N . 16146 1 131 . 1 1 37 37 GLY H H 1 8.819 0.002 . 1 . . . . 37 GLY H . 16146 1 132 . 1 1 37 37 GLY CA C 13 46.754 0.05 . 1 . . . . 37 GLY CA . 16146 1 133 . 1 1 37 37 GLY N N 15 116.556 0.03 . 1 . . . . 37 GLY N . 16146 1 134 . 1 1 38 38 GLU H H 1 8.497 0.001 . 1 . . . . 38 GLU H . 16146 1 135 . 1 1 38 38 GLU CA C 13 59.731 0.05 . 1 . . . . 38 GLU CA . 16146 1 136 . 1 1 38 38 GLU CB C 13 29.936 0.05 . 1 . . . . 38 GLU CB . 16146 1 137 . 1 1 38 38 GLU N N 15 114.905 0.020 . 1 . . . . 38 GLU N . 16146 1 138 . 1 1 39 39 LYS H H 1 7.859 0.001 . 1 . . . . 39 LYS H . 16146 1 139 . 1 1 39 39 LYS CA C 13 56.264 0.05 . 1 . . . . 39 LYS CA . 16146 1 140 . 1 1 39 39 LYS CB C 13 33.446 0.05 . 1 . . . . 39 LYS CB . 16146 1 141 . 1 1 39 39 LYS N N 15 115.393 0.009 . 1 . . . . 39 LYS N . 16146 1 142 . 1 1 40 40 ASP H H 1 7.471 0.001 . 1 . . . . 40 ASP H . 16146 1 143 . 1 1 40 40 ASP CA C 13 51.795 0.05 . 1 . . . . 40 ASP CA . 16146 1 144 . 1 1 40 40 ASP CB C 13 40.739 0.05 . 1 . . . . 40 ASP CB . 16146 1 145 . 1 1 40 40 ASP N N 15 116.777 0.020 . 1 . . . . 40 ASP N . 16146 1 146 . 1 1 41 41 LEU H H 1 9.662 0.002 . 1 . . . . 41 LEU H . 16146 1 147 . 1 1 41 41 LEU CA C 13 53.577 0.05 . 1 . . . . 41 LEU CA . 16146 1 148 . 1 1 41 41 LEU CB C 13 45.390 0.05 . 1 . . . . 41 LEU CB . 16146 1 149 . 1 1 41 41 LEU N N 15 124.132 0.012 . 1 . . . . 41 LEU N . 16146 1 150 . 1 1 42 42 ILE H H 1 8.183 0.001 . 1 . . . . 42 ILE H . 16146 1 151 . 1 1 42 42 ILE CA C 13 57.121 0.05 . 1 . . . . 42 ILE CA . 16146 1 152 . 1 1 42 42 ILE CB C 13 36.673 0.05 . 1 . . . . 42 ILE CB . 16146 1 153 . 1 1 42 42 ILE N N 15 119.925 0.007 . 1 . . . . 42 ILE N . 16146 1 154 . 1 1 43 43 PHE H H 1 9.955 0.001 . 1 . . . . 43 PHE H . 16146 1 155 . 1 1 43 43 PHE CA C 13 54.809 0.05 . 1 . . . . 43 PHE CA . 16146 1 156 . 1 1 43 43 PHE CB C 13 37.869 0.05 . 1 . . . . 43 PHE CB . 16146 1 157 . 1 1 43 43 PHE N N 15 130.460 0.014 . 1 . . . . 43 PHE N . 16146 1 158 . 1 1 44 44 ARG H H 1 8.832 0.006 . 1 . . . . 44 ARG H . 16146 1 159 . 1 1 44 44 ARG CA C 13 58.115 0.05 . 1 . . . . 44 ARG CA . 16146 1 160 . 1 1 44 44 ARG CB C 13 28.274 0.05 . 1 . . . . 44 ARG CB . 16146 1 161 . 1 1 44 44 ARG N N 15 125.976 0.018 . 1 . . . . 44 ARG N . 16146 1 162 . 1 1 45 45 ASN H H 1 9.653 0.001 . 1 . . . . 45 ASN H . 16146 1 163 . 1 1 45 45 ASN CA C 13 55.149 0.05 . 1 . . . . 45 ASN CA . 16146 1 164 . 1 1 45 45 ASN CB C 13 37.746 0.05 . 1 . . . . 45 ASN CB . 16146 1 165 . 1 1 45 45 ASN N N 15 114.852 0.021 . 1 . . . . 45 ASN N . 16146 1 166 . 1 1 46 46 GLN H H 1 6.954 0.001 . 1 . . . . 46 GLN H . 16146 1 167 . 1 1 46 46 GLN CA C 13 55.659 0.05 . 1 . . . . 46 GLN CA . 16146 1 168 . 1 1 46 46 GLN CB C 13 29.094 0.05 . 1 . . . . 46 GLN CB . 16146 1 169 . 1 1 46 46 GLN N N 15 114.651 0.015 . 1 . . . . 46 GLN N . 16146 1 170 . 1 1 47 47 GLY H H 1 8.869 0.013 . 1 . . . . 47 GLY H . 16146 1 171 . 1 1 47 47 GLY CA C 13 43.375 0.05 . 1 . . . . 47 GLY CA . 16146 1 172 . 1 1 47 47 GLY N N 15 106.510 0.03 . 1 . . . . 47 GLY N . 16146 1 173 . 1 1 48 48 ASP H H 1 8.904 0.002 . 1 . . . . 48 ASP H . 16146 1 174 . 1 1 48 48 ASP CA C 13 56.203 0.05 . 1 . . . . 48 ASP CA . 16146 1 175 . 1 1 48 48 ASP CB C 13 41.143 0.05 . 1 . . . . 48 ASP CB . 16146 1 176 . 1 1 48 48 ASP N N 15 120.774 0.013 . 1 . . . . 48 ASP N . 16146 1 177 . 1 1 49 49 SER H H 1 8.884 0.002 . 1 . . . . 49 SER H . 16146 1 178 . 1 1 49 49 SER CA C 13 58.555 0.040 . 1 . . . . 49 SER CA . 16146 1 179 . 1 1 49 49 SER CB C 13 61.795 0.05 . 1 . . . . 49 SER CB . 16146 1 180 . 1 1 49 49 SER N N 15 113.515 0.017 . 1 . . . . 49 SER N . 16146 1 181 . 1 1 50 50 GLY H H 1 7.717 0.001 . 1 . . . . 50 GLY H . 16146 1 182 . 1 1 50 50 GLY CA C 13 44.665 0.05 . 1 . . . . 50 GLY CA . 16146 1 183 . 1 1 50 50 GLY N N 15 105.263 0.017 . 1 . . . . 50 GLY N . 16146 1 184 . 1 1 51 51 ASN H H 1 7.549 0.001 . 1 . . . . 51 ASN H . 16146 1 185 . 1 1 51 51 ASN CA C 13 52.854 0.059 . 1 . . . . 51 ASN CA . 16146 1 186 . 1 1 51 51 ASN CB C 13 38.201 0.05 . 1 . . . . 51 ASN CB . 16146 1 187 . 1 1 51 51 ASN N N 15 118.556 0.011 . 1 . . . . 51 ASN N . 16146 1 188 . 1 1 52 52 ASP H H 1 8.498 0.001 . 1 . . . . 52 ASP H . 16146 1 189 . 1 1 52 52 ASP CA C 13 54.990 0.05 . 1 . . . . 52 ASP CA . 16146 1 190 . 1 1 52 52 ASP CB C 13 41.423 0.05 . 1 . . . . 52 ASP CB . 16146 1 191 . 1 1 52 52 ASP N N 15 119.313 0.011 . 1 . . . . 52 ASP N . 16146 1 192 . 1 1 53 53 LEU H H 1 7.695 0.001 . 1 . . . . 53 LEU H . 16146 1 193 . 1 1 53 53 LEU CA C 13 52.985 0.05 . 1 . . . . 53 LEU CA . 16146 1 194 . 1 1 53 53 LEU CB C 13 44.586 0.05 . 1 . . . . 53 LEU CB . 16146 1 195 . 1 1 53 53 LEU N N 15 122.632 0.016 . 1 . . . . 53 LEU N . 16146 1 196 . 1 1 54 54 ARG H H 1 9.118 0.003 . 1 . . . . 54 ARG H . 16146 1 197 . 1 1 54 54 ARG CA C 13 54.417 0.05 . 1 . . . . 54 ARG CA . 16146 1 198 . 1 1 54 54 ARG CB C 13 31.314 0.05 . 1 . . . . 54 ARG CB . 16146 1 199 . 1 1 54 54 ARG N N 15 130.726 0.019 . 1 . . . . 54 ARG N . 16146 1 200 . 1 1 55 55 VAL H H 1 8.992 0.001 . 1 . . . . 55 VAL H . 16146 1 201 . 1 1 55 55 VAL CA C 13 61.398 0.05 . 1 . . . . 55 VAL CA . 16146 1 202 . 1 1 55 55 VAL CB C 13 31.772 0.05 . 1 . . . . 55 VAL CB . 16146 1 203 . 1 1 55 55 VAL N N 15 128.080 0.019 . 1 . . . . 55 VAL N . 16146 1 204 . 1 1 56 56 LYS H H 1 8.845 0.001 . 1 . . . . 56 LYS H . 16146 1 205 . 1 1 56 56 LYS CA C 13 55.892 0.05 . 1 . . . . 56 LYS CA . 16146 1 206 . 1 1 56 56 LYS CB C 13 32.821 0.05 . 1 . . . . 56 LYS CB . 16146 1 207 . 1 1 56 56 LYS N N 15 125.495 0.011 . 1 . . . . 56 LYS N . 16146 1 208 . 1 1 57 57 PHE H H 1 8.068 0.001 . 1 . . . . 57 PHE H . 16146 1 209 . 1 1 57 57 PHE CA C 13 56.370 0.05 . 1 . . . . 57 PHE CA . 16146 1 210 . 1 1 57 57 PHE CB C 13 42.712 0.05 . 1 . . . . 57 PHE CB . 16146 1 211 . 1 1 57 57 PHE N N 15 116.801 0.014 . 1 . . . . 57 PHE N . 16146 1 212 . 1 1 58 58 ALA H H 1 7.999 0.001 . 1 . . . . 58 ALA H . 16146 1 213 . 1 1 58 58 ALA CA C 13 54.443 0.05 . 1 . . . . 58 ALA CA . 16146 1 214 . 1 1 58 58 ALA CB C 13 19.903 0.05 . 1 . . . . 58 ALA CB . 16146 1 215 . 1 1 58 58 ALA N N 15 118.082 0.009 . 1 . . . . 58 ALA N . 16146 1 216 . 1 1 59 59 THR H H 1 7.192 0.001 . 1 . . . . 59 THR H . 16146 1 217 . 1 1 59 59 THR CA C 13 58.065 0.05 . 1 . . . . 59 THR CA . 16146 1 218 . 1 1 59 59 THR CB C 13 72.452 0.05 . 1 . . . . 59 THR CB . 16146 1 219 . 1 1 59 59 THR N N 15 100.262 0.011 . 1 . . . . 59 THR N . 16146 1 220 . 1 1 60 60 ALA H H 1 9.017 0.002 . 1 . . . . 60 ALA H . 16146 1 221 . 1 1 60 60 ALA CA C 13 54.128 0.05 . 1 . . . . 60 ALA CA . 16146 1 222 . 1 1 60 60 ALA CB C 13 18.440 0.05 . 1 . . . . 60 ALA CB . 16146 1 223 . 1 1 60 60 ALA N N 15 124.002 0.014 . 1 . . . . 60 ALA N . 16146 1 224 . 1 1 61 61 ASP H H 1 8.139 0.002 . 1 . . . . 61 ASP H . 16146 1 225 . 1 1 61 61 ASP CA C 13 56.490 0.05 . 1 . . . . 61 ASP CA . 16146 1 226 . 1 1 61 61 ASP CB C 13 39.867 0.05 . 1 . . . . 61 ASP CB . 16146 1 227 . 1 1 61 61 ASP N N 15 114.326 0.025 . 1 . . . . 61 ASP N . 16146 1 228 . 1 1 62 62 LEU H H 1 7.352 0.001 . 1 . . . . 62 LEU H . 16146 1 229 . 1 1 62 62 LEU CA C 13 57.248 0.05 . 1 . . . . 62 LEU CA . 16146 1 230 . 1 1 62 62 LEU CB C 13 41.552 0.05 . 1 . . . . 62 LEU CB . 16146 1 231 . 1 1 62 62 LEU N N 15 120.244 0.019 . 1 . . . . 62 LEU N . 16146 1 232 . 1 1 63 63 ALA H H 1 6.620 0.001 . 1 . . . . 63 ALA H . 16146 1 233 . 1 1 63 63 ALA CA C 13 55.011 0.05 . 1 . . . . 63 ALA CA . 16146 1 234 . 1 1 63 63 ALA CB C 13 16.652 0.05 . 1 . . . . 63 ALA CB . 16146 1 235 . 1 1 63 63 ALA N N 15 118.346 0.011 . 1 . . . . 63 ALA N . 16146 1 236 . 1 1 64 64 GLN H H 1 8.090 0.002 . 1 . . . . 64 GLN H . 16146 1 237 . 1 1 64 64 GLN CA C 13 57.992 0.05 . 1 . . . . 64 GLN CA . 16146 1 238 . 1 1 64 64 GLN CB C 13 27.294 0.05 . 1 . . . . 64 GLN CB . 16146 1 239 . 1 1 64 64 GLN N N 15 111.723 0.013 . 1 . . . . 64 GLN N . 16146 1 240 . 1 1 65 65 LYS H H 1 7.391 0.001 . 1 . . . . 65 LYS H . 16146 1 241 . 1 1 65 65 LYS CA C 13 58.179 0.05 . 1 . . . . 65 LYS CA . 16146 1 242 . 1 1 65 65 LYS CB C 13 30.750 0.05 . 1 . . . . 65 LYS CB . 16146 1 243 . 1 1 65 65 LYS N N 15 118.948 0.003 . 1 . . . . 65 LYS N . 16146 1 244 . 1 1 66 66 PHE H H 1 6.792 0.001 . 1 . . . . 66 PHE H . 16146 1 245 . 1 1 66 66 PHE CA C 13 57.924 0.05 . 1 . . . . 66 PHE CA . 16146 1 246 . 1 1 66 66 PHE CB C 13 39.388 0.05 . 1 . . . . 66 PHE CB . 16146 1 247 . 1 1 66 66 PHE N N 15 113.045 0.009 . 1 . . . . 66 PHE N . 16146 1 248 . 1 1 67 67 LYS H H 1 7.300 0.002 . 1 . . . . 67 LYS H . 16146 1 249 . 1 1 67 67 LYS CA C 13 57.843 0.05 . 1 . . . . 67 LYS CA . 16146 1 250 . 1 1 67 67 LYS CB C 13 31.989 0.05 . 1 . . . . 67 LYS CB . 16146 1 251 . 1 1 67 67 LYS N N 15 123.501 0.006 . 1 . . . . 67 LYS N . 16146 1 252 . 1 1 68 68 ASN H H 1 9.753 0.002 . 1 . . . . 68 ASN H . 16146 1 253 . 1 1 68 68 ASN CA C 13 54.388 0.05 . 1 . . . . 68 ASN CA . 16146 1 254 . 1 1 68 68 ASN CB C 13 37.914 0.05 . 1 . . . . 68 ASN CB . 16146 1 255 . 1 1 68 68 ASN N N 15 121.885 0.040 . 1 . . . . 68 ASN N . 16146 1 256 . 1 1 69 69 LYS H H 1 7.631 0.001 . 1 . . . . 69 LYS H . 16146 1 257 . 1 1 69 69 LYS CA C 13 53.262 0.05 . 1 . . . . 69 LYS CA . 16146 1 258 . 1 1 69 69 LYS CB C 13 33.538 0.05 . 1 . . . . 69 LYS CB . 16146 1 259 . 1 1 69 69 LYS N N 15 115.752 0.017 . 1 . . . . 69 LYS N . 16146 1 260 . 1 1 70 70 ASN H H 1 8.794 0.001 . 1 . . . . 70 ASN H . 16146 1 261 . 1 1 70 70 ASN CA C 13 59.289 0.05 . 1 . . . . 70 ASN CA . 16146 1 262 . 1 1 70 70 ASN CB C 13 37.190 0.05 . 1 . . . . 70 ASN CB . 16146 1 263 . 1 1 70 70 ASN N N 15 119.890 0.010 . 1 . . . . 70 ASN N . 16146 1 264 . 1 1 71 71 VAL H H 1 10.158 0.001 . 1 . . . . 71 VAL H . 16146 1 265 . 1 1 71 71 VAL CA C 13 59.495 0.05 . 1 . . . . 71 VAL CA . 16146 1 266 . 1 1 71 71 VAL CB C 13 35.197 0.05 . 1 . . . . 71 VAL CB . 16146 1 267 . 1 1 71 71 VAL N N 15 123.000 0.027 . 1 . . . . 71 VAL N . 16146 1 268 . 1 1 72 72 ASP H H 1 8.996 0.001 . 1 . . . . 72 ASP H . 16146 1 269 . 1 1 72 72 ASP CA C 13 52.306 0.05 . 1 . . . . 72 ASP CA . 16146 1 270 . 1 1 72 72 ASP CB C 13 42.330 0.05 . 1 . . . . 72 ASP CB . 16146 1 271 . 1 1 72 72 ASP N N 15 118.449 0.016 . 1 . . . . 72 ASP N . 16146 1 272 . 1 1 73 73 ILE H H 1 8.864 0.002 . 1 . . . . 73 ILE H . 16146 1 273 . 1 1 73 73 ILE CA C 13 58.036 0.05 . 1 . . . . 73 ILE CA . 16146 1 274 . 1 1 73 73 ILE CB C 13 39.534 0.05 . 1 . . . . 73 ILE CB . 16146 1 275 . 1 1 73 73 ILE N N 15 119.590 0.014 . 1 . . . . 73 ILE N . 16146 1 276 . 1 1 74 74 TYR H H 1 9.054 0.002 . 1 . . . . 74 TYR H . 16146 1 277 . 1 1 74 74 TYR CA C 13 56.347 0.05 . 1 . . . . 74 TYR CA . 16146 1 278 . 1 1 74 74 TYR CB C 13 40.446 0.05 . 1 . . . . 74 TYR CB . 16146 1 279 . 1 1 74 74 TYR N N 15 133.084 0.012 . 1 . . . . 74 TYR N . 16146 1 280 . 1 1 75 75 GLY H H 1 8.495 0.001 . 1 . . . . 75 GLY H . 16146 1 281 . 1 1 75 75 GLY CA C 13 45.475 0.05 . 1 . . . . 75 GLY CA . 16146 1 282 . 1 1 75 75 GLY N N 15 107.924 0.003 . 1 . . . . 75 GLY N . 16146 1 283 . 1 1 76 76 ALA H H 1 8.147 0.001 . 1 . . . . 76 ALA H . 16146 1 284 . 1 1 76 76 ALA CA C 13 51.406 0.05 . 1 . . . . 76 ALA CA . 16146 1 285 . 1 1 76 76 ALA CB C 13 17.711 0.05 . 1 . . . . 76 ALA CB . 16146 1 286 . 1 1 76 76 ALA N N 15 125.226 0.012 . 1 . . . . 76 ALA N . 16146 1 287 . 1 1 77 77 SER H H 1 8.241 0.002 . 1 . . . . 77 SER H . 16146 1 288 . 1 1 77 77 SER CA C 13 55.123 0.05 . 1 . . . . 77 SER CA . 16146 1 289 . 1 1 77 77 SER CB C 13 66.849 0.05 . 1 . . . . 77 SER CB . 16146 1 290 . 1 1 77 77 SER N N 15 115.495 0.029 . 1 . . . . 77 SER N . 16146 1 291 . 1 1 78 78 PHE H H 1 8.742 0.001 . 1 . . . . 78 PHE H . 16146 1 292 . 1 1 78 78 PHE CA C 13 55.404 0.05 . 1 . . . . 78 PHE CA . 16146 1 293 . 1 1 78 78 PHE CB C 13 42.740 0.05 . 1 . . . . 78 PHE CB . 16146 1 294 . 1 1 78 78 PHE N N 15 116.206 0.014 . 1 . . . . 78 PHE N . 16146 1 295 . 1 1 79 79 TYR H H 1 8.864 0.002 . 1 . . . . 79 TYR H . 16146 1 296 . 1 1 79 79 TYR CA C 13 58.988 0.041 . 1 . . . . 79 TYR CA . 16146 1 297 . 1 1 79 79 TYR CB C 13 41.239 0.05 . 1 . . . . 79 TYR CB . 16146 1 298 . 1 1 79 79 TYR N N 15 116.501 0.009 . 1 . . . . 79 TYR N . 16146 1 299 . 1 1 80 80 TYR H H 1 8.974 0.002 . 1 . . . . 80 TYR H . 16146 1 300 . 1 1 80 80 TYR CA C 13 59.173 0.05 . 1 . . . . 80 TYR CA . 16146 1 301 . 1 1 80 80 TYR CB C 13 36.458 0.05 . 1 . . . . 80 TYR CB . 16146 1 302 . 1 1 80 80 TYR N N 15 124.927 0.008 . 1 . . . . 80 TYR N . 16146 1 303 . 1 1 81 81 LYS H H 1 8.475 0.001 . 1 . . . . 81 LYS H . 16146 1 304 . 1 1 81 81 LYS CA C 13 57.495 0.05 . 1 . . . . 81 LYS CA . 16146 1 305 . 1 1 81 81 LYS CB C 13 27.437 0.05 . 1 . . . . 81 LYS CB . 16146 1 306 . 1 1 81 81 LYS N N 15 118.992 0.007 . 1 . . . . 81 LYS N . 16146 1 307 . 1 1 82 82 CYS H H 1 7.698 0.001 . 1 . . . . 82 CYS H . 16146 1 308 . 1 1 82 82 CYS CA C 13 54.037 0.05 . 1 . . . . 82 CYS CA . 16146 1 309 . 1 1 82 82 CYS CB C 13 36.437 0.05 . 1 . . . . 82 CYS CB . 16146 1 310 . 1 1 82 82 CYS N N 15 117.844 0.013 . 1 . . . . 82 CYS N . 16146 1 311 . 1 1 83 83 GLU H H 1 8.816 0.001 . 1 . . . . 83 GLU H . 16146 1 312 . 1 1 83 83 GLU CA C 13 58.056 0.05 . 1 . . . . 83 GLU CA . 16146 1 313 . 1 1 83 83 GLU CB C 13 27.880 0.05 . 1 . . . . 83 GLU CB . 16146 1 314 . 1 1 83 83 GLU N N 15 131.334 0.020 . 1 . . . . 83 GLU N . 16146 1 315 . 1 1 84 84 LYS H H 1 8.475 0.002 . 1 . . . . 84 LYS H . 16146 1 316 . 1 1 84 84 LYS CA C 13 57.222 0.05 . 1 . . . . 84 LYS CA . 16146 1 317 . 1 1 84 84 LYS CB C 13 32.720 0.05 . 1 . . . . 84 LYS CB . 16146 1 318 . 1 1 84 84 LYS N N 15 125.645 0.008 . 1 . . . . 84 LYS N . 16146 1 319 . 1 1 85 85 ILE H H 1 8.731 0.001 . 1 . . . . 85 ILE H . 16146 1 320 . 1 1 85 85 ILE CA C 13 60.017 0.05 . 1 . . . . 85 ILE CA . 16146 1 321 . 1 1 85 85 ILE CB C 13 39.947 0.05 . 1 . . . . 85 ILE CB . 16146 1 322 . 1 1 85 85 ILE N N 15 120.850 0.015 . 1 . . . . 85 ILE N . 16146 1 323 . 1 1 86 86 SER H H 1 8.738 0.001 . 1 . . . . 86 SER H . 16146 1 324 . 1 1 86 86 SER CA C 13 57.053 0.05 . 1 . . . . 86 SER CA . 16146 1 325 . 1 1 86 86 SER CB C 13 64.474 0.05 . 1 . . . . 86 SER CB . 16146 1 326 . 1 1 86 86 SER N N 15 122.091 0.045 . 1 . . . . 86 SER N . 16146 1 327 . 1 1 87 87 GLU H H 1 8.590 0.001 . 1 . . . . 87 GLU H . 16146 1 328 . 1 1 87 87 GLU CA C 13 57.442 0.05 . 1 . . . . 87 GLU CA . 16146 1 329 . 1 1 87 87 GLU CB C 13 28.507 0.05 . 1 . . . . 87 GLU CB . 16146 1 330 . 1 1 87 87 GLU N N 15 117.980 0.004 . 1 . . . . 87 GLU N . 16146 1 331 . 1 1 88 88 ASN H H 1 8.348 0.001 . 1 . . . . 88 ASN H . 16146 1 332 . 1 1 88 88 ASN CA C 13 52.108 0.05 . 1 . . . . 88 ASN CA . 16146 1 333 . 1 1 88 88 ASN CB C 13 38.486 0.05 . 1 . . . . 88 ASN CB . 16146 1 334 . 1 1 88 88 ASN N N 15 118.831 0.141 . 1 . . . . 88 ASN N . 16146 1 335 . 1 1 89 89 ILE H H 1 7.951 0.001 . 1 . . . . 89 ILE H . 16146 1 336 . 1 1 89 89 ILE CA C 13 62.485 0.05 . 1 . . . . 89 ILE CA . 16146 1 337 . 1 1 89 89 ILE CB C 13 37.590 0.05 . 1 . . . . 89 ILE CB . 16146 1 338 . 1 1 89 89 ILE N N 15 123.001 0.017 . 1 . . . . 89 ILE N . 16146 1 339 . 1 1 90 90 SER H H 1 7.853 0.002 . 1 . . . . 90 SER H . 16146 1 340 . 1 1 90 90 SER CA C 13 56.294 0.05 . 1 . . . . 90 SER CA . 16146 1 341 . 1 1 90 90 SER CB C 13 65.517 0.05 . 1 . . . . 90 SER CB . 16146 1 342 . 1 1 90 90 SER N N 15 118.427 0.025 . 1 . . . . 90 SER N . 16146 1 343 . 1 1 91 91 GLU H H 1 8.696 0.016 . 1 . . . . 91 GLU H . 16146 1 344 . 1 1 91 91 GLU CA C 13 53.571 0.05 . 1 . . . . 91 GLU CA . 16146 1 345 . 1 1 91 91 GLU CB C 13 31.432 0.05 . 1 . . . . 91 GLU CB . 16146 1 346 . 1 1 91 91 GLU N N 15 125.041 0.011 . 1 . . . . 91 GLU N . 16146 1 347 . 1 1 92 92 CYS H H 1 8.258 0.006 . 1 . . . . 92 CYS H . 16146 1 348 . 1 1 92 92 CYS CA C 13 57.028 0.014 . 1 . . . . 92 CYS CA . 16146 1 349 . 1 1 92 92 CYS CB C 13 37.410 0.05 . 1 . . . . 92 CYS CB . 16146 1 350 . 1 1 92 92 CYS N N 15 123.558 0.043 . 1 . . . . 92 CYS N . 16146 1 351 . 1 1 93 93 LEU H H 1 7.838 0.002 . 1 . . . . 93 LEU H . 16146 1 352 . 1 1 93 93 LEU CA C 13 55.167 0.05 . 1 . . . . 93 LEU CA . 16146 1 353 . 1 1 93 93 LEU CB C 13 45.376 0.05 . 1 . . . . 93 LEU CB . 16146 1 354 . 1 1 93 93 LEU N N 15 116.348 0.017 . 1 . . . . 93 LEU N . 16146 1 355 . 1 1 94 94 TYR H H 1 9.896 0.002 . 1 . . . . 94 TYR H . 16146 1 356 . 1 1 94 94 TYR CA C 13 55.816 0.05 . 1 . . . . 94 TYR CA . 16146 1 357 . 1 1 94 94 TYR CB C 13 39.229 0.05 . 1 . . . . 94 TYR CB . 16146 1 358 . 1 1 94 94 TYR N N 15 120.740 0.011 . 1 . . . . 94 TYR N . 16146 1 359 . 1 1 95 95 GLY H H 1 7.995 0.001 . 1 . . . . 95 GLY H . 16146 1 360 . 1 1 95 95 GLY CA C 13 47.379 0.019 . 1 . . . . 95 GLY CA . 16146 1 361 . 1 1 95 95 GLY N N 15 108.384 0.008 . 1 . . . . 95 GLY N . 16146 1 362 . 1 1 96 96 GLY H H 1 8.634 0.001 . 1 . . . . 96 GLY H . 16146 1 363 . 1 1 96 96 GLY CA C 13 47.374 0.05 . 1 . . . . 96 GLY CA . 16146 1 364 . 1 1 96 96 GLY N N 15 110.483 0.016 . 1 . . . . 96 GLY N . 16146 1 365 . 1 1 97 97 THR H H 1 8.986 0.001 . 1 . . . . 97 THR H . 16146 1 366 . 1 1 97 97 THR CA C 13 64.280 0.05 . 1 . . . . 97 THR CA . 16146 1 367 . 1 1 97 97 THR CB C 13 69.624 0.054 . 1 . . . . 97 THR CB . 16146 1 368 . 1 1 97 97 THR N N 15 119.613 0.002 . 1 . . . . 97 THR N . 16146 1 369 . 1 1 98 98 THR H H 1 8.782 0.001 . 1 . . . . 98 THR H . 16146 1 370 . 1 1 98 98 THR CA C 13 59.207 0.05 . 1 . . . . 98 THR CA . 16146 1 371 . 1 1 98 98 THR CB C 13 71.158 0.012 . 1 . . . . 98 THR CB . 16146 1 372 . 1 1 98 98 THR N N 15 115.854 0.029 . 1 . . . . 98 THR N . 16146 1 373 . 1 1 99 99 LEU H H 1 9.087 0.001 . 1 . . . . 99 LEU H . 16146 1 374 . 1 1 99 99 LEU CA C 13 55.300 0.05 . 1 . . . . 99 LEU CA . 16146 1 375 . 1 1 99 99 LEU CB C 13 40.454 0.05 . 1 . . . . 99 LEU CB . 16146 1 376 . 1 1 99 99 LEU N N 15 118.683 0.008 . 1 . . . . 99 LEU N . 16146 1 377 . 1 1 100 100 ASN H H 1 9.082 0.001 . 1 . . . . 100 ASN H . 16146 1 378 . 1 1 100 100 ASN CA C 13 56.394 0.05 . 1 . . . . 100 ASN CA . 16146 1 379 . 1 1 100 100 ASN CB C 13 40.309 0.05 . 1 . . . . 100 ASN CB . 16146 1 380 . 1 1 100 100 ASN N N 15 125.814 0.004 . 1 . . . . 100 ASN N . 16146 1 381 . 1 1 102 102 GLU H H 1 7.216 0.002 . 1 . . . . 102 GLU H . 16146 1 382 . 1 1 102 102 GLU CA C 13 55.577 0.05 . 1 . . . . 102 GLU CA . 16146 1 383 . 1 1 102 102 GLU CB C 13 27.864 0.05 . 1 . . . . 102 GLU CB . 16146 1 384 . 1 1 102 102 GLU N N 15 122.043 0.014 . 1 . . . . 102 GLU N . 16146 1 385 . 1 1 103 103 LYS H H 1 7.694 0.001 . 1 . . . . 103 LYS H . 16146 1 386 . 1 1 103 103 LYS CA C 13 53.912 0.05 . 1 . . . . 103 LYS CA . 16146 1 387 . 1 1 103 103 LYS CB C 13 34.370 0.05 . 1 . . . . 103 LYS CB . 16146 1 388 . 1 1 103 103 LYS N N 15 123.531 0.012 . 1 . . . . 103 LYS N . 16146 1 389 . 1 1 104 104 LEU H H 1 8.521 0.001 . 1 . . . . 104 LEU H . 16146 1 390 . 1 1 104 104 LEU CA C 13 53.341 0.05 . 1 . . . . 104 LEU CA . 16146 1 391 . 1 1 104 104 LEU CB C 13 43.619 0.05 . 1 . . . . 104 LEU CB . 16146 1 392 . 1 1 104 104 LEU N N 15 121.934 0.010 . 1 . . . . 104 LEU N . 16146 1 393 . 1 1 106 106 GLN H H 1 7.368 0.002 . 1 . . . . 106 GLN H . 16146 1 394 . 1 1 106 106 GLN CA C 13 52.663 0.05 . 1 . . . . 106 GLN CA . 16146 1 395 . 1 1 106 106 GLN CB C 13 30.492 0.05 . 1 . . . . 106 GLN CB . 16146 1 396 . 1 1 106 106 GLN N N 15 113.466 0.013 . 1 . . . . 106 GLN N . 16146 1 397 . 1 1 107 107 GLU H H 1 8.445 0.002 . 1 . . . . 107 GLU H . 16146 1 398 . 1 1 107 107 GLU CA C 13 57.181 0.025 . 1 . . . . 107 GLU CA . 16146 1 399 . 1 1 107 107 GLU CB C 13 29.548 0.05 . 1 . . . . 107 GLU CB . 16146 1 400 . 1 1 107 107 GLU N N 15 121.061 0.03 . 1 . . . . 107 GLU N . 16146 1 401 . 1 1 108 108 ARG H H 1 8.616 0.001 . 1 . . . . 108 ARG H . 16146 1 402 . 1 1 108 108 ARG CA C 13 54.004 0.05 . 1 . . . . 108 ARG CA . 16146 1 403 . 1 1 108 108 ARG CB C 13 29.617 0.05 . 1 . . . . 108 ARG CB . 16146 1 404 . 1 1 108 108 ARG N N 15 124.233 0.018 . 1 . . . . 108 ARG N . 16146 1 405 . 1 1 109 109 VAL H H 1 8.467 0.004 . 1 . . . . 109 VAL H . 16146 1 406 . 1 1 109 109 VAL CA C 13 61.148 0.05 . 1 . . . . 109 VAL CA . 16146 1 407 . 1 1 109 109 VAL CB C 13 31.649 0.05 . 1 . . . . 109 VAL CB . 16146 1 408 . 1 1 109 109 VAL N N 15 125.580 0.03 . 1 . . . . 109 VAL N . 16146 1 409 . 1 1 110 110 ILE H H 1 9.514 0.002 . 1 . . . . 110 ILE H . 16146 1 410 . 1 1 110 110 ILE CA C 13 60.014 0.05 . 1 . . . . 110 ILE CA . 16146 1 411 . 1 1 110 110 ILE CB C 13 39.804 0.05 . 1 . . . . 110 ILE CB . 16146 1 412 . 1 1 110 110 ILE N N 15 130.378 0.006 . 1 . . . . 110 ILE N . 16146 1 413 . 1 1 111 111 GLY H H 1 9.040 0.002 . 1 . . . . 111 GLY H . 16146 1 414 . 1 1 111 111 GLY CA C 13 44.721 0.05 . 1 . . . . 111 GLY CA . 16146 1 415 . 1 1 111 111 GLY N N 15 114.224 0.011 . 1 . . . . 111 GLY N . 16146 1 416 . 1 1 112 112 ALA H H 1 9.179 0.010 . 1 . . . . 112 ALA H . 16146 1 417 . 1 1 112 112 ALA CA C 13 48.615 0.05 . 1 . . . . 112 ALA CA . 16146 1 418 . 1 1 112 112 ALA N N 15 126.701 0.006 . 1 . . . . 112 ALA N . 16146 1 419 . 1 1 113 113 ASN H H 1 9.145 0.013 . 1 . . . . 113 ASN H . 16146 1 420 . 1 1 113 113 ASN CA C 13 52.032 0.05 . 1 . . . . 113 ASN CA . 16146 1 421 . 1 1 113 113 ASN CB C 13 39.914 0.05 . 1 . . . . 113 ASN CB . 16146 1 422 . 1 1 113 113 ASN N N 15 123.242 0.154 . 1 . . . . 113 ASN N . 16146 1 423 . 1 1 114 114 VAL H H 1 7.900 0.002 . 1 . . . . 114 VAL H . 16146 1 424 . 1 1 114 114 VAL CA C 13 61.043 0.05 . 1 . . . . 114 VAL CA . 16146 1 425 . 1 1 114 114 VAL CB C 13 34.083 0.05 . 1 . . . . 114 VAL CB . 16146 1 426 . 1 1 114 114 VAL N N 15 122.150 0.033 . 1 . . . . 114 VAL N . 16146 1 427 . 1 1 115 115 TRP H H 1 8.926 0.001 . 1 . . . . 115 TRP H . 16146 1 428 . 1 1 115 115 TRP CA C 13 56.755 0.05 . 1 . . . . 115 TRP CA . 16146 1 429 . 1 1 115 115 TRP CB C 13 33.113 0.05 . 1 . . . . 115 TRP CB . 16146 1 430 . 1 1 115 115 TRP N N 15 126.826 0.003 . 1 . . . . 115 TRP N . 16146 1 431 . 1 1 116 116 VAL H H 1 8.518 0.001 . 1 . . . . 116 VAL H . 16146 1 432 . 1 1 116 116 VAL CA C 13 60.507 0.05 . 1 . . . . 116 VAL CA . 16146 1 433 . 1 1 116 116 VAL CB C 13 32.449 0.05 . 1 . . . . 116 VAL CB . 16146 1 434 . 1 1 116 116 VAL N N 15 118.407 0.008 . 1 . . . . 116 VAL N . 16146 1 435 . 1 1 117 117 ASP H H 1 9.376 0.002 . 1 . . . . 117 ASP H . 16146 1 436 . 1 1 117 117 ASP CA C 13 55.805 0.05 . 1 . . . . 117 ASP CA . 16146 1 437 . 1 1 117 117 ASP CB C 13 38.757 0.05 . 1 . . . . 117 ASP CB . 16146 1 438 . 1 1 117 117 ASP N N 15 127.756 0.035 . 1 . . . . 117 ASP N . 16146 1 439 . 1 1 118 118 GLY H H 1 9.223 0.001 . 1 . . . . 118 GLY H . 16146 1 440 . 1 1 118 118 GLY CA C 13 45.190 0.05 . 1 . . . . 118 GLY CA . 16146 1 441 . 1 1 118 118 GLY N N 15 102.720 0.016 . 1 . . . . 118 GLY N . 16146 1 442 . 1 1 119 119 ILE H H 1 8.098 0.001 . 1 . . . . 119 ILE H . 16146 1 443 . 1 1 119 119 ILE CA C 13 59.197 0.05 . 1 . . . . 119 ILE CA . 16146 1 444 . 1 1 119 119 ILE CB C 13 36.663 0.05 . 1 . . . . 119 ILE CB . 16146 1 445 . 1 1 119 119 ILE N N 15 123.589 0.022 . 1 . . . . 119 ILE N . 16146 1 446 . 1 1 120 120 GLN H H 1 8.833 0.001 . 1 . . . . 120 GLN H . 16146 1 447 . 1 1 120 120 GLN CA C 13 57.732 0.05 . 1 . . . . 120 GLN CA . 16146 1 448 . 1 1 120 120 GLN CB C 13 27.345 0.05 . 1 . . . . 120 GLN CB . 16146 1 449 . 1 1 120 120 GLN N N 15 129.685 0.009 . 1 . . . . 120 GLN N . 16146 1 450 . 1 1 121 121 LYS H H 1 8.913 0.002 . 1 . . . . 121 LYS H . 16146 1 451 . 1 1 121 121 LYS CA C 13 51.813 0.05 . 1 . . . . 121 LYS CA . 16146 1 452 . 1 1 121 121 LYS CB C 13 31.537 0.05 . 1 . . . . 121 LYS CB . 16146 1 453 . 1 1 121 121 LYS N N 15 127.067 0.018 . 1 . . . . 121 LYS N . 16146 1 454 . 1 1 122 122 GLU H H 1 8.369 0.001 . 1 . . . . 122 GLU H . 16146 1 455 . 1 1 122 122 GLU CA C 13 57.301 0.05 . 1 . . . . 122 GLU CA . 16146 1 456 . 1 1 122 122 GLU CB C 13 28.864 0.05 . 1 . . . . 122 GLU CB . 16146 1 457 . 1 1 122 122 GLU N N 15 121.093 0.009 . 1 . . . . 122 GLU N . 16146 1 458 . 1 1 123 123 THR H H 1 8.123 0.001 . 1 . . . . 123 THR H . 16146 1 459 . 1 1 123 123 THR CA C 13 62.881 0.05 . 1 . . . . 123 THR CA . 16146 1 460 . 1 1 123 123 THR CB C 13 69.472 0.05 . 1 . . . . 123 THR CB . 16146 1 461 . 1 1 123 123 THR N N 15 118.643 0.011 . 1 . . . . 123 THR N . 16146 1 462 . 1 1 124 124 GLU H H 1 8.895 0.001 . 1 . . . . 124 GLU H . 16146 1 463 . 1 1 124 124 GLU CA C 13 56.310 0.05 . 1 . . . . 124 GLU CA . 16146 1 464 . 1 1 124 124 GLU CB C 13 29.788 0.05 . 1 . . . . 124 GLU CB . 16146 1 465 . 1 1 124 124 GLU N N 15 126.812 0.031 . 1 . . . . 124 GLU N . 16146 1 466 . 1 1 125 125 LEU H H 1 8.601 0.001 . 1 . . . . 125 LEU H . 16146 1 467 . 1 1 125 125 LEU CA C 13 53.138 0.05 . 1 . . . . 125 LEU CA . 16146 1 468 . 1 1 125 125 LEU CB C 13 42.808 0.05 . 1 . . . . 125 LEU CB . 16146 1 469 . 1 1 125 125 LEU N N 15 119.668 0.021 . 1 . . . . 125 LEU N . 16146 1 470 . 1 1 126 126 ILE H H 1 8.850 0.002 . 1 . . . . 126 ILE H . 16146 1 471 . 1 1 126 126 ILE CA C 13 58.664 0.05 . 1 . . . . 126 ILE CA . 16146 1 472 . 1 1 126 126 ILE CB C 13 39.245 0.05 . 1 . . . . 126 ILE CB . 16146 1 473 . 1 1 126 126 ILE N N 15 119.227 0.009 . 1 . . . . 126 ILE N . 16146 1 474 . 1 1 127 127 ARG H H 1 8.375 0.001 . 1 . . . . 127 ARG H . 16146 1 475 . 1 1 127 127 ARG CA C 13 53.912 0.05 . 1 . . . . 127 ARG CA . 16146 1 476 . 1 1 127 127 ARG CB C 13 33.445 0.05 . 1 . . . . 127 ARG CB . 16146 1 477 . 1 1 127 127 ARG N N 15 120.448 0.008 . 1 . . . . 127 ARG N . 16146 1 478 . 1 1 128 128 THR H H 1 8.370 0.001 . 1 . . . . 128 THR H . 16146 1 479 . 1 1 128 128 THR CA C 13 60.990 0.016 . 1 . . . . 128 THR CA . 16146 1 480 . 1 1 128 128 THR CB C 13 68.843 0.05 . 1 . . . . 128 THR CB . 16146 1 481 . 1 1 128 128 THR N N 15 112.074 0.004 . 1 . . . . 128 THR N . 16146 1 482 . 1 1 129 129 ASN H H 1 8.064 0.001 . 1 . . . . 129 ASN H . 16146 1 483 . 1 1 129 129 ASN CA C 13 51.818 0.05 . 1 . . . . 129 ASN CA . 16146 1 484 . 1 1 129 129 ASN CB C 13 37.223 0.05 . 1 . . . . 129 ASN CB . 16146 1 485 . 1 1 129 129 ASN N N 15 124.136 0.017 . 1 . . . . 129 ASN N . 16146 1 486 . 1 1 130 130 LYS H H 1 8.255 0.002 . 1 . . . . 130 LYS H . 16146 1 487 . 1 1 130 130 LYS CA C 13 56.674 0.05 . 1 . . . . 130 LYS CA . 16146 1 488 . 1 1 130 130 LYS CB C 13 33.613 0.05 . 1 . . . . 130 LYS CB . 16146 1 489 . 1 1 130 130 LYS N N 15 122.620 0.003 . 1 . . . . 130 LYS N . 16146 1 490 . 1 1 131 131 LYS H H 1 8.088 0.001 . 1 . . . . 131 LYS H . 16146 1 491 . 1 1 131 131 LYS CA C 13 59.201 0.05 . 1 . . . . 131 LYS CA . 16146 1 492 . 1 1 131 131 LYS CB C 13 32.847 0.05 . 1 . . . . 131 LYS CB . 16146 1 493 . 1 1 131 131 LYS N N 15 122.537 0.012 . 1 . . . . 131 LYS N . 16146 1 494 . 1 1 132 132 ASN H H 1 7.764 0.001 . 1 . . . . 132 ASN H . 16146 1 495 . 1 1 132 132 ASN CA C 13 51.749 0.05 . 1 . . . . 132 ASN CA . 16146 1 496 . 1 1 132 132 ASN CB C 13 40.162 0.05 . 1 . . . . 132 ASN CB . 16146 1 497 . 1 1 132 132 ASN N N 15 115.629 0.014 . 1 . . . . 132 ASN N . 16146 1 498 . 1 1 133 133 VAL H H 1 9.210 0.001 . 1 . . . . 133 VAL H . 16146 1 499 . 1 1 133 133 VAL CA C 13 58.097 0.045 . 1 . . . . 133 VAL CA . 16146 1 500 . 1 1 133 133 VAL CB C 13 34.612 0.05 . 1 . . . . 133 VAL CB . 16146 1 501 . 1 1 133 133 VAL N N 15 122.196 0.008 . 1 . . . . 133 VAL N . 16146 1 502 . 1 1 134 134 THR H H 1 8.953 0.003 . 1 . . . . 134 THR H . 16146 1 503 . 1 1 134 134 THR CA C 13 62.604 0.05 . 1 . . . . 134 THR CA . 16146 1 504 . 1 1 134 134 THR CB C 13 69.736 0.05 . 1 . . . . 134 THR CB . 16146 1 505 . 1 1 134 134 THR N N 15 118.411 0.034 . 1 . . . . 134 THR N . 16146 1 506 . 1 1 135 135 LEU H H 1 7.884 0.010 . 1 . . . . 135 LEU H . 16146 1 507 . 1 1 135 135 LEU CA C 13 57.212 0.013 . 1 . . . . 135 LEU CA . 16146 1 508 . 1 1 135 135 LEU CB C 13 41.105 0.05 . 1 . . . . 135 LEU CB . 16146 1 509 . 1 1 135 135 LEU N N 15 121.779 0.085 . 1 . . . . 135 LEU N . 16146 1 510 . 1 1 136 136 GLN H H 1 8.128 0.002 . 1 . . . . 136 GLN H . 16146 1 511 . 1 1 136 136 GLN CA C 13 58.797 0.032 . 1 . . . . 136 GLN CA . 16146 1 512 . 1 1 136 136 GLN CB C 13 28.449 0.05 . 1 . . . . 136 GLN CB . 16146 1 513 . 1 1 136 136 GLN N N 15 115.498 0.017 . 1 . . . . 136 GLN N . 16146 1 514 . 1 1 137 137 GLU H H 1 7.935 0.004 . 1 . . . . 137 GLU H . 16146 1 515 . 1 1 137 137 GLU CA C 13 58.623 0.059 . 1 . . . . 137 GLU CA . 16146 1 516 . 1 1 137 137 GLU CB C 13 27.343 0.05 . 1 . . . . 137 GLU CB . 16146 1 517 . 1 1 137 137 GLU N N 15 118.569 0.069 . 1 . . . . 137 GLU N . 16146 1 518 . 1 1 138 138 LEU H H 1 6.921 0.001 . 1 . . . . 138 LEU H . 16146 1 519 . 1 1 138 138 LEU CA C 13 57.235 0.05 . 1 . . . . 138 LEU CA . 16146 1 520 . 1 1 138 138 LEU CB C 13 41.222 0.05 . 1 . . . . 138 LEU CB . 16146 1 521 . 1 1 138 138 LEU N N 15 113.587 0.010 . 1 . . . . 138 LEU N . 16146 1 522 . 1 1 139 139 ASP H H 1 8.786 0.001 . 1 . . . . 139 ASP H . 16146 1 523 . 1 1 139 139 ASP CA C 13 56.394 0.05 . 1 . . . . 139 ASP CA . 16146 1 524 . 1 1 139 139 ASP CB C 13 41.216 0.05 . 1 . . . . 139 ASP CB . 16146 1 525 . 1 1 139 139 ASP N N 15 117.868 0.017 . 1 . . . . 139 ASP N . 16146 1 526 . 1 1 140 140 ILE H H 1 8.886 0.001 . 1 . . . . 140 ILE H . 16146 1 527 . 1 1 140 140 ILE CA C 13 66.050 0.05 . 1 . . . . 140 ILE CA . 16146 1 528 . 1 1 140 140 ILE CB C 13 37.120 0.05 . 1 . . . . 140 ILE CB . 16146 1 529 . 1 1 140 140 ILE N N 15 117.477 0.005 . 1 . . . . 140 ILE N . 16146 1 530 . 1 1 141 141 LYS H H 1 7.945 0.002 . 1 . . . . 141 LYS H . 16146 1 531 . 1 1 141 141 LYS CA C 13 60.549 0.05 . 1 . . . . 141 LYS CA . 16146 1 532 . 1 1 141 141 LYS CB C 13 32.266 0.05 . 1 . . . . 141 LYS CB . 16146 1 533 . 1 1 141 141 LYS N N 15 115.738 0.016 . 1 . . . . 141 LYS N . 16146 1 534 . 1 1 142 142 ILE H H 1 8.352 0.002 . 1 . . . . 142 ILE H . 16146 1 535 . 1 1 142 142 ILE CA C 13 60.589 0.05 . 1 . . . . 142 ILE CA . 16146 1 536 . 1 1 142 142 ILE CB C 13 37.032 0.05 . 1 . . . . 142 ILE CB . 16146 1 537 . 1 1 142 142 ILE N N 15 116.447 0.009 . 1 . . . . 142 ILE N . 16146 1 538 . 1 1 143 143 ARG H H 1 9.433 0.002 . 1 . . . . 143 ARG H . 16146 1 539 . 1 1 143 143 ARG CA C 13 61.598 0.05 . 1 . . . . 143 ARG CA . 16146 1 540 . 1 1 143 143 ARG CB C 13 29.307 0.05 . 1 . . . . 143 ARG CB . 16146 1 541 . 1 1 143 143 ARG N N 15 122.644 0.029 . 1 . . . . 143 ARG N . 16146 1 542 . 1 1 144 144 LYS H H 1 9.166 0.002 . 1 . . . . 144 LYS H . 16146 1 543 . 1 1 144 144 LYS CA C 13 59.514 0.05 . 1 . . . . 144 LYS CA . 16146 1 544 . 1 1 144 144 LYS CB C 13 30.814 0.05 . 1 . . . . 144 LYS CB . 16146 1 545 . 1 1 144 144 LYS N N 15 121.703 0.007 . 1 . . . . 144 LYS N . 16146 1 546 . 1 1 145 145 ILE H H 1 6.962 0.001 . 1 . . . . 145 ILE H . 16146 1 547 . 1 1 145 145 ILE CA C 13 64.652 0.05 . 1 . . . . 145 ILE CA . 16146 1 548 . 1 1 145 145 ILE CB C 13 37.570 0.05 . 1 . . . . 145 ILE CB . 16146 1 549 . 1 1 145 145 ILE N N 15 119.164 0.007 . 1 . . . . 145 ILE N . 16146 1 550 . 1 1 146 146 LEU H H 1 8.547 0.002 . 1 . . . . 146 LEU H . 16146 1 551 . 1 1 146 146 LEU CA C 13 57.203 0.05 . 1 . . . . 146 LEU CA . 16146 1 552 . 1 1 146 146 LEU CB C 13 40.551 0.05 . 1 . . . . 146 LEU CB . 16146 1 553 . 1 1 146 146 LEU N N 15 116.374 0.014 . 1 . . . . 146 LEU N . 16146 1 554 . 1 1 147 147 SER H H 1 9.096 0.002 . 1 . . . . 147 SER H . 16146 1 555 . 1 1 147 147 SER CA C 13 61.621 0.038 . 1 . . . . 147 SER CA . 16146 1 556 . 1 1 147 147 SER CB C 13 62.538 0.05 . 1 . . . . 147 SER CB . 16146 1 557 . 1 1 147 147 SER N N 15 116.957 0.019 . 1 . . . . 147 SER N . 16146 1 558 . 1 1 148 148 ASP H H 1 8.476 0.001 . 1 . . . . 148 ASP H . 16146 1 559 . 1 1 148 148 ASP CA C 13 57.174 0.05 . 1 . . . . 148 ASP CA . 16146 1 560 . 1 1 148 148 ASP CB C 13 40.129 0.05 . 1 . . . . 148 ASP CB . 16146 1 561 . 1 1 148 148 ASP N N 15 120.849 0.016 . 1 . . . . 148 ASP N . 16146 1 562 . 1 1 149 149 LYS H H 1 8.421 0.001 . 1 . . . . 149 LYS H . 16146 1 563 . 1 1 149 149 LYS CA C 13 58.530 0.05 . 1 . . . . 149 LYS CA . 16146 1 564 . 1 1 149 149 LYS CB C 13 32.813 0.05 . 1 . . . . 149 LYS CB . 16146 1 565 . 1 1 149 149 LYS N N 15 115.707 0.014 . 1 . . . . 149 LYS N . 16146 1 566 . 1 1 150 150 TYR H H 1 7.913 0.002 . 1 . . . . 150 TYR H . 16146 1 567 . 1 1 150 150 TYR CA C 13 57.537 0.05 . 1 . . . . 150 TYR CA . 16146 1 568 . 1 1 150 150 TYR CB C 13 38.723 0.05 . 1 . . . . 150 TYR CB . 16146 1 569 . 1 1 150 150 TYR N N 15 113.926 0.024 . 1 . . . . 150 TYR N . 16146 1 570 . 1 1 151 151 LYS H H 1 7.610 0.001 . 1 . . . . 151 LYS H . 16146 1 571 . 1 1 151 151 LYS CA C 13 56.572 0.05 . 1 . . . . 151 LYS CA . 16146 1 572 . 1 1 151 151 LYS CB C 13 27.786 0.05 . 1 . . . . 151 LYS CB . 16146 1 573 . 1 1 151 151 LYS N N 15 115.048 0.013 . 1 . . . . 151 LYS N . 16146 1 574 . 1 1 152 152 ILE H H 1 6.499 0.001 . 1 . . . . 152 ILE H . 16146 1 575 . 1 1 152 152 ILE CA C 13 65.364 0.05 . 1 . . . . 152 ILE CA . 16146 1 576 . 1 1 152 152 ILE CB C 13 36.512 0.05 . 1 . . . . 152 ILE CB . 16146 1 577 . 1 1 152 152 ILE N N 15 106.995 0.003 . 1 . . . . 152 ILE N . 16146 1 578 . 1 1 153 153 TYR H H 1 8.812 0.001 . 1 . . . . 153 TYR H . 16146 1 579 . 1 1 153 153 TYR CA C 13 56.438 0.05 . 1 . . . . 153 TYR CA . 16146 1 580 . 1 1 153 153 TYR CB C 13 36.851 0.05 . 1 . . . . 153 TYR CB . 16146 1 581 . 1 1 153 153 TYR N N 15 118.268 0.016 . 1 . . . . 153 TYR N . 16146 1 582 . 1 1 154 154 TYR H H 1 7.267 0.001 . 1 . . . . 154 TYR H . 16146 1 583 . 1 1 154 154 TYR CA C 13 54.600 0.05 . 1 . . . . 154 TYR CA . 16146 1 584 . 1 1 154 154 TYR CB C 13 38.380 0.05 . 1 . . . . 154 TYR CB . 16146 1 585 . 1 1 154 154 TYR N N 15 116.229 0.012 . 1 . . . . 154 TYR N . 16146 1 586 . 1 1 155 155 LYS H H 1 9.394 0.001 . 1 . . . . 155 LYS H . 16146 1 587 . 1 1 155 155 LYS CA C 13 59.961 0.05 . 1 . . . . 155 LYS CA . 16146 1 588 . 1 1 155 155 LYS CB C 13 31.845 0.05 . 1 . . . . 155 LYS CB . 16146 1 589 . 1 1 155 155 LYS N N 15 128.778 0.018 . 1 . . . . 155 LYS N . 16146 1 590 . 1 1 156 156 ASP H H 1 7.353 0.002 . 1 . . . . 156 ASP H . 16146 1 591 . 1 1 156 156 ASP CA C 13 53.713 0.05 . 1 . . . . 156 ASP CA . 16146 1 592 . 1 1 156 156 ASP CB C 13 39.886 0.05 . 1 . . . . 156 ASP CB . 16146 1 593 . 1 1 156 156 ASP N N 15 112.197 0.021 . 1 . . . . 156 ASP N . 16146 1 594 . 1 1 157 157 SER H H 1 7.248 0.001 . 1 . . . . 157 SER H . 16146 1 595 . 1 1 157 157 SER CA C 13 57.314 0.05 . 1 . . . . 157 SER CA . 16146 1 596 . 1 1 157 157 SER CB C 13 65.308 0.05 . 1 . . . . 157 SER CB . 16146 1 597 . 1 1 157 157 SER N N 15 114.388 0.014 . 1 . . . . 157 SER N . 16146 1 598 . 1 1 158 158 GLU H H 1 9.367 0.009 . 1 . . . . 158 GLU H . 16146 1 599 . 1 1 158 158 GLU CA C 13 57.487 0.05 . 1 . . . . 158 GLU CA . 16146 1 600 . 1 1 158 158 GLU CB C 13 29.326 0.05 . 1 . . . . 158 GLU CB . 16146 1 601 . 1 1 158 158 GLU N N 15 119.868 0.021 . 1 . . . . 158 GLU N . 16146 1 602 . 1 1 159 159 ILE H H 1 7.082 0.001 . 1 . . . . 159 ILE H . 16146 1 603 . 1 1 159 159 ILE CA C 13 60.065 0.05 . 1 . . . . 159 ILE CA . 16146 1 604 . 1 1 159 159 ILE CB C 13 34.918 0.05 . 1 . . . . 159 ILE CB . 16146 1 605 . 1 1 159 159 ILE N N 15 116.683 0.021 . 1 . . . . 159 ILE N . 16146 1 606 . 1 1 160 160 SER H H 1 9.435 0.002 . 1 . . . . 160 SER H . 16146 1 607 . 1 1 160 160 SER CA C 13 58.824 0.05 . 1 . . . . 160 SER CA . 16146 1 608 . 1 1 160 160 SER CB C 13 66.652 0.05 . 1 . . . . 160 SER CB . 16146 1 609 . 1 1 160 160 SER N N 15 121.060 0.010 . 1 . . . . 160 SER N . 16146 1 610 . 1 1 161 161 LYS H H 1 8.183 0.001 . 1 . . . . 161 LYS H . 16146 1 611 . 1 1 161 161 LYS CA C 13 55.052 0.05 . 1 . . . . 161 LYS CA . 16146 1 612 . 1 1 161 161 LYS CB C 13 39.101 0.05 . 1 . . . . 161 LYS CB . 16146 1 613 . 1 1 161 161 LYS N N 15 117.856 0.026 . 1 . . . . 161 LYS N . 16146 1 614 . 1 1 162 162 GLY H H 1 10.877 0.001 . 1 . . . . 162 GLY H . 16146 1 615 . 1 1 162 162 GLY CA C 13 47.349 0.05 . 1 . . . . 162 GLY CA . 16146 1 616 . 1 1 162 162 GLY N N 15 109.175 0.017 . 1 . . . . 162 GLY N . 16146 1 617 . 1 1 163 163 LEU H H 1 9.005 0.002 . 1 . . . . 163 LEU H . 16146 1 618 . 1 1 163 163 LEU CA C 13 53.433 0.05 . 1 . . . . 163 LEU CA . 16146 1 619 . 1 1 163 163 LEU CB C 13 46.336 0.05 . 1 . . . . 163 LEU CB . 16146 1 620 . 1 1 163 163 LEU N N 15 124.767 0.015 . 1 . . . . 163 LEU N . 16146 1 621 . 1 1 164 164 ILE H H 1 9.118 0.002 . 1 . . . . 164 ILE H . 16146 1 622 . 1 1 164 164 ILE CA C 13 60.373 0.05 . 1 . . . . 164 ILE CA . 16146 1 623 . 1 1 164 164 ILE N N 15 125.882 0.03 . 1 . . . . 164 ILE N . 16146 1 624 . 1 1 165 165 GLU H H 1 9.386 0.002 . 1 . . . . 165 GLU H . 16146 1 625 . 1 1 165 165 GLU CA C 13 54.895 0.05 . 1 . . . . 165 GLU CA . 16146 1 626 . 1 1 165 165 GLU N N 15 125.573 0.158 . 1 . . . . 165 GLU N . 16146 1 627 . 1 1 166 166 PHE H H 1 9.119 0.006 . 1 . . . . 166 PHE H . 16146 1 628 . 1 1 166 166 PHE CA C 13 56.844 0.05 . 1 . . . . 166 PHE CA . 16146 1 629 . 1 1 166 166 PHE N N 15 123.232 0.129 . 1 . . . . 166 PHE N . 16146 1 630 . 1 1 170 170 THR H H 1 7.382 0.002 . 1 . . . . 170 THR H . 16146 1 631 . 1 1 170 170 THR CA C 13 58.905 0.05 . 1 . . . . 170 THR CA . 16146 1 632 . 1 1 170 170 THR CB C 13 67.999 0.05 . 1 . . . . 170 THR CB . 16146 1 633 . 1 1 170 170 THR N N 15 109.447 0.03 . 1 . . . . 170 THR N . 16146 1 634 . 1 1 171 171 PRO CA C 13 64.942 0.05 . 1 . . . . 171 PRO CA . 16146 1 635 . 1 1 172 172 ARG H H 1 7.970 0.002 . 1 . . . . 172 ARG H . 16146 1 636 . 1 1 172 172 ARG CA C 13 55.605 0.05 . 1 . . . . 172 ARG CA . 16146 1 637 . 1 1 172 172 ARG CB C 13 31.374 0.05 . 1 . . . . 172 ARG CB . 16146 1 638 . 1 1 172 172 ARG N N 15 121.361 0.230 . 1 . . . . 172 ARG N . 16146 1 639 . 1 1 173 173 ASP H H 1 7.933 0.004 . 1 . . . . 173 ASP H . 16146 1 640 . 1 1 173 173 ASP CA C 13 53.235 0.05 . 1 . . . . 173 ASP CA . 16146 1 641 . 1 1 173 173 ASP CB C 13 42.215 0.05 . 1 . . . . 173 ASP CB . 16146 1 642 . 1 1 173 173 ASP N N 15 122.919 0.001 . 1 . . . . 173 ASP N . 16146 1 643 . 1 1 174 174 TYR H H 1 7.937 0.002 . 1 . . . . 174 TYR H . 16146 1 644 . 1 1 174 174 TYR CA C 13 56.493 0.05 . 1 . . . . 174 TYR CA . 16146 1 645 . 1 1 174 174 TYR CB C 13 41.310 0.05 . 1 . . . . 174 TYR CB . 16146 1 646 . 1 1 174 174 TYR N N 15 116.876 0.067 . 1 . . . . 174 TYR N . 16146 1 647 . 1 1 175 175 SER H H 1 8.222 0.003 . 1 . . . . 175 SER H . 16146 1 648 . 1 1 175 175 SER CA C 13 56.815 0.05 . 1 . . . . 175 SER CA . 16146 1 649 . 1 1 175 175 SER CB C 13 65.796 0.05 . 1 . . . . 175 SER CB . 16146 1 650 . 1 1 175 175 SER N N 15 115.969 0.032 . 1 . . . . 175 SER N . 16146 1 651 . 1 1 176 176 PHE H H 1 9.295 0.002 . 1 . . . . 176 PHE H . 16146 1 652 . 1 1 176 176 PHE CA C 13 57.522 0.05 . 1 . . . . 176 PHE CA . 16146 1 653 . 1 1 176 176 PHE CB C 13 43.038 0.05 . 1 . . . . 176 PHE CB . 16146 1 654 . 1 1 176 176 PHE N N 15 117.571 0.023 . 1 . . . . 176 PHE N . 16146 1 655 . 1 1 177 177 ASP H H 1 8.718 0.001 . 1 . . . . 177 ASP H . 16146 1 656 . 1 1 177 177 ASP CA C 13 52.590 0.056 . 1 . . . . 177 ASP CA . 16146 1 657 . 1 1 177 177 ASP CB C 13 41.526 0.05 . 1 . . . . 177 ASP CB . 16146 1 658 . 1 1 177 177 ASP N N 15 123.825 0.014 . 1 . . . . 177 ASP N . 16146 1 659 . 1 1 178 178 ILE H H 1 7.921 0.002 . 1 . . . . 178 ILE H . 16146 1 660 . 1 1 178 178 ILE CA C 13 64.001 0.05 . 1 . . . . 178 ILE CA . 16146 1 661 . 1 1 178 178 ILE CB C 13 36.078 0.05 . 1 . . . . 178 ILE CB . 16146 1 662 . 1 1 178 178 ILE N N 15 120.763 0.018 . 1 . . . . 178 ILE N . 16146 1 663 . 1 1 179 179 TYR H H 1 8.605 0.001 . 1 . . . . 179 TYR H . 16146 1 664 . 1 1 179 179 TYR CA C 13 56.783 0.05 . 1 . . . . 179 TYR CA . 16146 1 665 . 1 1 179 179 TYR CB C 13 35.986 0.05 . 1 . . . . 179 TYR CB . 16146 1 666 . 1 1 179 179 TYR N N 15 116.560 0.013 . 1 . . . . 179 TYR N . 16146 1 667 . 1 1 180 180 ASP H H 1 7.367 0.002 . 1 . . . . 180 ASP H . 16146 1 668 . 1 1 180 180 ASP CA C 13 51.394 0.004 . 1 . . . . 180 ASP CA . 16146 1 669 . 1 1 180 180 ASP CB C 13 39.038 0.05 . 1 . . . . 180 ASP CB . 16146 1 670 . 1 1 180 180 ASP N N 15 122.861 0.008 . 1 . . . . 180 ASP N . 16146 1 671 . 1 1 181 181 LEU H H 1 7.145 0.002 . 1 . . . . 181 LEU H . 16146 1 672 . 1 1 181 181 LEU CA C 13 54.145 0.002 . 1 . . . . 181 LEU CA . 16146 1 673 . 1 1 181 181 LEU CB C 13 41.250 0.05 . 1 . . . . 181 LEU CB . 16146 1 674 . 1 1 181 181 LEU N N 15 120.517 0.012 . 1 . . . . 181 LEU N . 16146 1 675 . 1 1 182 182 LYS H H 1 8.545 0.002 . 1 . . . . 182 LYS H . 16146 1 676 . 1 1 182 182 LYS N N 15 118.285 0.03 . 1 . . . . 182 LYS N . 16146 1 677 . 1 1 183 183 GLY H H 1 7.168 0.001 . 1 . . . . 183 GLY H . 16146 1 678 . 1 1 183 183 GLY CA C 13 44.015 0.05 . 1 . . . . 183 GLY CA . 16146 1 679 . 1 1 183 183 GLY N N 15 103.897 0.03 . 1 . . . . 183 GLY N . 16146 1 680 . 1 1 184 184 GLU H H 1 8.084 0.001 . 1 . . . . 184 GLU H . 16146 1 681 . 1 1 184 184 GLU CA C 13 55.964 0.05 . 1 . . . . 184 GLU CA . 16146 1 682 . 1 1 184 184 GLU CB C 13 31.733 0.05 . 1 . . . . 184 GLU CB . 16146 1 683 . 1 1 184 184 GLU N N 15 113.951 0.013 . 1 . . . . 184 GLU N . 16146 1 684 . 1 1 185 185 ASN H H 1 8.062 0.001 . 1 . . . . 185 ASN H . 16146 1 685 . 1 1 185 185 ASN CA C 13 52.636 0.05 . 1 . . . . 185 ASN CA . 16146 1 686 . 1 1 185 185 ASN CB C 13 41.261 0.05 . 1 . . . . 185 ASN CB . 16146 1 687 . 1 1 185 185 ASN N N 15 113.479 0.017 . 1 . . . . 185 ASN N . 16146 1 688 . 1 1 186 186 ASP H H 1 8.856 0.001 . 1 . . . . 186 ASP H . 16146 1 689 . 1 1 186 186 ASP CA C 13 58.085 0.05 . 1 . . . . 186 ASP CA . 16146 1 690 . 1 1 186 186 ASP CB C 13 39.689 0.05 . 1 . . . . 186 ASP CB . 16146 1 691 . 1 1 186 186 ASP N N 15 124.927 0.009 . 1 . . . . 186 ASP N . 16146 1 692 . 1 1 187 187 TYR H H 1 8.684 0.002 . 1 . . . . 187 TYR H . 16146 1 693 . 1 1 187 187 TYR CA C 13 58.424 0.05 . 1 . . . . 187 TYR CA . 16146 1 694 . 1 1 187 187 TYR CB C 13 36.824 0.05 . 1 . . . . 187 TYR CB . 16146 1 695 . 1 1 187 187 TYR N N 15 113.477 0.008 . 1 . . . . 187 TYR N . 16146 1 696 . 1 1 188 188 GLU H H 1 6.687 0.002 . 1 . . . . 188 GLU H . 16146 1 697 . 1 1 188 188 GLU CA C 13 57.100 0.05 . 1 . . . . 188 GLU CA . 16146 1 698 . 1 1 188 188 GLU CB C 13 30.321 0.05 . 1 . . . . 188 GLU CB . 16146 1 699 . 1 1 188 188 GLU N N 15 118.805 0.011 . 1 . . . . 188 GLU N . 16146 1 700 . 1 1 189 189 ILE H H 1 7.745 0.002 . 1 . . . . 189 ILE H . 16146 1 701 . 1 1 189 189 ILE CA C 13 64.324 0.05 . 1 . . . . 189 ILE CA . 16146 1 702 . 1 1 189 189 ILE CB C 13 38.399 0.05 . 1 . . . . 189 ILE CB . 16146 1 703 . 1 1 189 189 ILE N N 15 119.827 0.010 . 1 . . . . 189 ILE N . 16146 1 704 . 1 1 190 190 ASP H H 1 7.631 0.002 . 1 . . . . 190 ASP H . 16146 1 705 . 1 1 190 190 ASP CA C 13 53.707 0.05 . 1 . . . . 190 ASP CA . 16146 1 706 . 1 1 190 190 ASP CB C 13 36.896 0.05 . 1 . . . . 190 ASP CB . 16146 1 707 . 1 1 190 190 ASP N N 15 112.740 0.006 . 1 . . . . 190 ASP N . 16146 1 708 . 1 1 191 191 LYS H H 1 6.741 0.001 . 1 . . . . 191 LYS H . 16146 1 709 . 1 1 191 191 LYS CA C 13 57.698 0.05 . 1 . . . . 191 LYS CA . 16146 1 710 . 1 1 191 191 LYS CB C 13 31.557 0.05 . 1 . . . . 191 LYS CB . 16146 1 711 . 1 1 191 191 LYS N N 15 119.932 0.012 . 1 . . . . 191 LYS N . 16146 1 712 . 1 1 192 192 ILE H H 1 6.409 0.002 . 1 . . . . 192 ILE H . 16146 1 713 . 1 1 192 192 ILE CA C 13 62.793 0.030 . 1 . . . . 192 ILE CA . 16146 1 714 . 1 1 192 192 ILE CB C 13 36.931 0.05 . 1 . . . . 192 ILE CB . 16146 1 715 . 1 1 192 192 ILE N N 15 110.341 0.03 . 1 . . . . 192 ILE N . 16146 1 716 . 1 1 193 193 TYR H H 1 7.570 0.001 . 1 . . . . 193 TYR H . 16146 1 717 . 1 1 193 193 TYR CA C 13 56.298 0.05 . 1 . . . . 193 TYR CA . 16146 1 718 . 1 1 193 193 TYR CB C 13 37.940 0.05 . 1 . . . . 193 TYR CB . 16146 1 719 . 1 1 193 193 TYR N N 15 120.314 0.012 . 1 . . . . 193 TYR N . 16146 1 720 . 1 1 194 194 GLU H H 1 7.846 0.002 . 1 . . . . 194 GLU H . 16146 1 721 . 1 1 194 194 GLU CA C 13 58.881 0.05 . 1 . . . . 194 GLU CA . 16146 1 722 . 1 1 194 194 GLU CB C 13 28.535 0.05 . 1 . . . . 194 GLU CB . 16146 1 723 . 1 1 194 194 GLU N N 15 120.190 0.003 . 1 . . . . 194 GLU N . 16146 1 724 . 1 1 195 195 ASP H H 1 7.937 0.010 . 1 . . . . 195 ASP H . 16146 1 725 . 1 1 195 195 ASP CA C 13 53.918 0.05 . 1 . . . . 195 ASP CA . 16146 1 726 . 1 1 195 195 ASP CB C 13 39.239 0.05 . 1 . . . . 195 ASP CB . 16146 1 727 . 1 1 195 195 ASP N N 15 118.457 0.012 . 1 . . . . 195 ASP N . 16146 1 728 . 1 1 196 196 ASN H H 1 8.666 0.002 . 1 . . . . 196 ASN H . 16146 1 729 . 1 1 196 196 ASN CA C 13 54.364 0.05 . 1 . . . . 196 ASN CA . 16146 1 730 . 1 1 196 196 ASN CB C 13 42.428 0.05 . 1 . . . . 196 ASN CB . 16146 1 731 . 1 1 196 196 ASN N N 15 119.772 0.016 . 1 . . . . 196 ASN N . 16146 1 732 . 1 1 197 197 LYS H H 1 7.823 0.002 . 1 . . . . 197 LYS H . 16146 1 733 . 1 1 197 197 LYS CA C 13 58.358 0.034 . 1 . . . . 197 LYS CA . 16146 1 734 . 1 1 197 197 LYS CB C 13 30.857 0.05 . 1 . . . . 197 LYS CB . 16146 1 735 . 1 1 197 197 LYS N N 15 118.186 0.026 . 1 . . . . 197 LYS N . 16146 1 736 . 1 1 198 198 THR CA C 13 61.384 0.05 . 1 . . . . 198 THR CA . 16146 1 737 . 1 1 199 199 LEU H H 1 9.200 0.007 . 1 . . . . 199 LEU H . 16146 1 738 . 1 1 199 199 LEU CA C 13 52.566 0.05 . 1 . . . . 199 LEU CA . 16146 1 739 . 1 1 199 199 LEU CB C 13 43.681 0.05 . 1 . . . . 199 LEU CB . 16146 1 740 . 1 1 199 199 LEU N N 15 124.583 0.115 . 1 . . . . 199 LEU N . 16146 1 741 . 1 1 200 200 LYS H H 1 8.547 0.001 . 1 . . . . 200 LYS H . 16146 1 742 . 1 1 200 200 LYS CA C 13 55.805 0.05 . 1 . . . . 200 LYS CA . 16146 1 743 . 1 1 200 200 LYS CB C 13 30.990 0.05 . 1 . . . . 200 LYS CB . 16146 1 744 . 1 1 200 200 LYS N N 15 122.882 0.013 . 1 . . . . 200 LYS N . 16146 1 745 . 1 1 201 201 SER H H 1 8.711 0.005 . 1 . . . . 201 SER H . 16146 1 746 . 1 1 201 201 SER CA C 13 61.879 0.05 . 1 . . . . 201 SER CA . 16146 1 747 . 1 1 201 201 SER CB C 13 65.585 0.05 . 1 . . . . 201 SER CB . 16146 1 748 . 1 1 201 201 SER N N 15 124.977 0.043 . 1 . . . . 201 SER N . 16146 1 749 . 1 1 202 202 ASP H H 1 8.7922 0.002 . 1 . . . . 202 ASP H . 16146 1 750 . 1 1 202 202 ASP CA C 13 55.609 0.05 . 1 . . . . 202 ASP CA . 16146 1 751 . 1 1 202 202 ASP CB C 13 40.516 0.05 . 1 . . . . 202 ASP CB . 16146 1 752 . 1 1 202 202 ASP N N 15 118.371 0.083 . 1 . . . . 202 ASP N . 16146 1 753 . 1 1 203 203 ASP H H 1 7.912 0.002 . 1 . . . . 203 ASP H . 16146 1 754 . 1 1 203 203 ASP CA C 13 54.411 0.05 . 1 . . . . 203 ASP CA . 16146 1 755 . 1 1 203 203 ASP CB C 13 41.239 0.05 . 1 . . . . 203 ASP CB . 16146 1 756 . 1 1 203 203 ASP N N 15 116.639 0.03 . 1 . . . . 203 ASP N . 16146 1 757 . 1 1 204 204 ILE H H 1 7.205 0.007 . 1 . . . . 204 ILE H . 16146 1 758 . 1 1 204 204 ILE CA C 13 61.441 0.05 . 1 . . . . 204 ILE CA . 16146 1 759 . 1 1 204 204 ILE CB C 13 39.350 0.05 . 1 . . . . 204 ILE CB . 16146 1 760 . 1 1 204 204 ILE N N 15 120.417 0.023 . 1 . . . . 204 ILE N . 16146 1 761 . 1 1 205 205 SER H H 1 9.557 0.004 . 1 . . . . 205 SER H . 16146 1 762 . 1 1 205 205 SER CA C 13 59.862 0.05 . 1 . . . . 205 SER CA . 16146 1 763 . 1 1 205 205 SER CB C 13 63.681 0.05 . 1 . . . . 205 SER CB . 16146 1 764 . 1 1 205 205 SER N N 15 123.653 0.03 . 1 . . . . 205 SER N . 16146 1 765 . 1 1 206 206 HIS H H 1 7.989 0.009 . 1 . . . . 206 HIS H . 16146 1 766 . 1 1 206 206 HIS CA C 13 55.913 0.05 . 1 . . . . 206 HIS CA . 16146 1 767 . 1 1 206 206 HIS CB C 13 30.050 0.05 . 1 . . . . 206 HIS CB . 16146 1 768 . 1 1 206 206 HIS N N 15 112.964 0.050 . 1 . . . . 206 HIS N . 16146 1 769 . 1 1 207 207 ILE H H 1 8.773 0.002 . 1 . . . . 207 ILE H . 16146 1 770 . 1 1 207 207 ILE CA C 13 59.223 0.05 . 1 . . . . 207 ILE CA . 16146 1 771 . 1 1 207 207 ILE N N 15 120.157 0.005 . 1 . . . . 207 ILE N . 16146 1 772 . 1 1 208 208 ASP H H 1 9.252 0.005 . 1 . . . . 208 ASP H . 16146 1 773 . 1 1 208 208 ASP CA C 13 53.686 0.05 . 1 . . . . 208 ASP CA . 16146 1 774 . 1 1 208 208 ASP N N 15 127.158 0.024 . 1 . . . . 208 ASP N . 16146 1 775 . 1 1 209 209 VAL H H 1 9.763 0.003 . 1 . . . . 209 VAL H . 16146 1 776 . 1 1 209 209 VAL CA C 13 60.609 0.05 . 1 . . . . 209 VAL CA . 16146 1 777 . 1 1 209 209 VAL CB C 13 32.858 0.05 . 1 . . . . 209 VAL CB . 16146 1 778 . 1 1 209 209 VAL N N 15 124.726 0.014 . 1 . . . . 209 VAL N . 16146 1 779 . 1 1 210 210 ASN H H 1 8.973 0.001 . 1 . . . . 210 ASN H . 16146 1 780 . 1 1 210 210 ASN CA C 13 52.492 0.05 . 1 . . . . 210 ASN CA . 16146 1 781 . 1 1 210 210 ASN CB C 13 42.251 0.05 . 1 . . . . 210 ASN CB . 16146 1 782 . 1 1 210 210 ASN N N 15 126.407 0.013 . 1 . . . . 210 ASN N . 16146 1 783 . 1 1 211 211 LEU H H 1 8.726 0.001 . 1 . . . . 211 LEU H . 16146 1 784 . 1 1 211 211 LEU CA C 13 52.432 0.05 . 1 . . . . 211 LEU CA . 16146 1 785 . 1 1 211 211 LEU CB C 13 42.792 0.05 . 1 . . . . 211 LEU CB . 16146 1 786 . 1 1 211 211 LEU N N 15 120.071 0.017 . 1 . . . . 211 LEU N . 16146 1 787 . 1 1 212 212 TYR H H 1 8.946 0.002 . 1 . . . . 212 TYR H . 16146 1 788 . 1 1 212 212 TYR CA C 13 56.468 0.05 . 1 . . . . 212 TYR CA . 16146 1 789 . 1 1 212 212 TYR CB C 13 40.973 0.05 . 1 . . . . 212 TYR CB . 16146 1 790 . 1 1 212 212 TYR N N 15 118.429 0.019 . 1 . . . . 212 TYR N . 16146 1 791 . 1 1 213 213 THR H H 1 10.398 0.001 . 1 . . . . 213 THR H . 16146 1 792 . 1 1 213 213 THR CA C 13 60.636 0.05 . 1 . . . . 213 THR CA . 16146 1 793 . 1 1 213 213 THR CB C 13 71.189 0.05 . 1 . . . . 213 THR CB . 16146 1 794 . 1 1 213 213 THR N N 15 116.692 0.038 . 1 . . . . 213 THR N . 16146 1 795 . 1 1 214 214 LYS H H 1 8.322 0.002 . 1 . . . . 214 LYS H . 16146 1 796 . 1 1 214 214 LYS CA C 13 56.350 0.05 . 1 . . . . 214 LYS CA . 16146 1 797 . 1 1 214 214 LYS CB C 13 32.29 0.05 . 1 . . . . 214 LYS CB . 16146 1 798 . 1 1 214 214 LYS N N 15 120.28 0.03 . 1 . . . . 214 LYS N . 16146 1 799 . 1 1 215 215 LYS H H 1 8.311 0.002 . 1 . . . . 215 LYS H . 16146 1 800 . 1 1 215 215 LYS CA C 13 56.34 0.05 . 1 . . . . 215 LYS CA . 16146 1 801 . 1 1 215 215 LYS CB C 13 32.10 0.05 . 1 . . . . 215 LYS CB . 16146 1 802 . 1 1 215 215 LYS N N 15 123.66 0.03 . 1 . . . . 215 LYS N . 16146 1 803 . 1 1 216 216 LYS H H 1 8.319 0.002 . 1 . . . . 216 LYS H . 16146 1 804 . 1 1 216 216 LYS CA C 13 56.180 0.05 . 1 . . . . 216 LYS CA . 16146 1 805 . 1 1 216 216 LYS CB C 13 32.870 0.05 . 1 . . . . 216 LYS CB . 16146 1 806 . 1 1 216 216 LYS N N 15 123.90 0.03 . 1 . . . . 216 LYS N . 16146 1 807 . 1 1 217 217 VAL H H 1 7.627 0.002 . 1 . . . . 217 VAL H . 16146 1 808 . 1 1 217 217 VAL CA C 13 63.15 0.05 . 1 . . . . 217 VAL CA . 16146 1 809 . 1 1 217 217 VAL CB C 13 32.87 0.05 . 1 . . . . 217 VAL CB . 16146 1 810 . 1 1 217 217 VAL N N 15 125.74 0.03 . 1 . . . . 217 VAL N . 16146 1 stop_ save_