data_5547 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5547 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Streptopain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-10-07 _Entry.Accession_date 2002-10-07 _Entry.Last_release_date 2003-02-18 _Entry.Original_release_date 2003-02-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Woei-Jer Chuang . . . 5547 2 Shih-Chi Luo . . . 5547 3 Chiu-Yueh Chen . . . 5547 4 Yee-Shin Lin . . . 5547 5 Wen-Yih Jeng . . . 5547 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5547 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 512 5547 '13C chemical shifts' 462 5547 '15N chemical shifts' 235 5547 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-02-18 2002-10-07 original author . 5547 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5547 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone 1H, 15N and 13C resonance assignments of the 28 kDa mature form of streptopain* ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 165 _Citation.Page_last 166 _Citation.Year 2003 _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 Shih-Chi Luo . . . 5547 1 2 Chiu-Yueh Chen . . . 5547 1 3 Yee-Shin Lin . . . 5547 1 4 Wen-Yih Jeng . . . 5547 1 5 Woei-Jer Chuang . . . 5547 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'resonance assignment' 5547 1 'streptococcal cysteine protease' 5547 1 streptopain 5547 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SpeB_SPE_B_or_streptopain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SpeB_SPE_B_or_streptopain _Assembly.Entry_ID 5547 _Assembly.ID 1 _Assembly.Name 'streptococcal pyrogenic exotoxin B' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.4.22.10 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5547 1 stop_ 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 streptopain 1 $streptopain . . . native . . . . . 5547 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 1DKI . . . . . ; The propeptide segment of streptopain has been removed by the native cysteine protease. ; 5547 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'streptococcal pyrogenic exotoxin B' system 5547 1 'SpeB, SPE B or streptopain' abbreviation 5547 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'extracellular cysteine protease' 5547 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_streptopain _Entity.Sf_category entity _Entity.Sf_framecode streptopain _Entity.Entry_ID 5547 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'streptococcal pyrogenic exotoxin B' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QPVVKSLLDSKGIHYNQGNP YNLLTPVIEKVKPGEQSFVG QHAATGSVATATAQIMKYHN YPNKGLKDYTYTLSSNNPYF NHPKNLFAAISTRQYNWNNI LPTYSGRESNVQKMAISELM ADVGISVDMDYGPSSGSAGS SRVQRALKENFGYNQSVHQI NRGDFSKQDWEAQIDKELSQ NQPVYYQGVGKVGGHAFVID GADGRNFYHVNWGWGGVSDG FFRLDALNPSALGTGGGAGG FNGYQSAVVGIKP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 253 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1DKI . "Crystal Structure Of The Zymogen Form Of Streptococcal Pyrogenic Exotoxin B Active Site (C47s) Mutant" . . . . . 100.00 371 100.00 100.00 0.00e+00 . . . . 5547 1 2 no PDB 1PVJ . "Crystal Structure Of The Streptococcal Pyrogenic Exotoxin B (Speb)- Inhibitor Complex" . . . . . 100.00 368 99.21 99.21 0.00e+00 . . . . 5547 1 3 no PDB 2JTC . "3d Structure And Backbone Dynamics Of Spe B" . . . . . 100.00 253 100.00 100.00 0.00e+00 . . . . 5547 1 4 no PDB 2UZJ . "Crystal Structure Of The Mature Streptococcal Cysteine Protease, Mspeb" . . . . . 100.00 253 99.21 99.21 0.00e+00 . . . . 5547 1 5 no PDB 4D8B . "High Resolution Structure Of Monomeric S. Progenies Speb Reveals Role Of Glycine-Rich Active Site Loop" . . . . . 100.00 261 98.81 99.21 0.00e+00 . . . . 5547 1 6 no PDB 4D8E . "High Resolution Structures Of Monomeric S. Pyogenes Speb Reveals Role Of Glycine-Rich Active Site Loop" . . . . . 100.00 261 98.81 99.21 0.00e+00 . . . . 5547 1 7 no PDB 4D8I . "High Resolution Structures Of Monomeric S. Pyogenes Speb Reveals Role Of Glycine-rich Active Site Loop" . . . . . 100.00 261 98.81 99.21 0.00e+00 . . . . 5547 1 8 no DBJ BAB16027 . "exotoxin B [Streptococcus pyogenes]" . . . . . 100.00 398 98.81 99.21 0.00e+00 . . . . 5547 1 9 no DBJ BAB40954 . "pyrogenic exotoxin B [Streptococcus pyogenes]" . . . . . 100.00 398 98.81 99.21 0.00e+00 . . . . 5547 1 10 no DBJ BAC64834 . "SpeB precursor [Streptococcus pyogenes SSI-1]" . . . . . 100.00 398 99.21 99.21 0.00e+00 . . . . 5547 1 11 no DBJ BAM31095 . "exotoxin B [Streptococcus pyogenes M1 476]" . . . . . 100.00 398 99.60 99.60 0.00e+00 . . . . 5547 1 12 no EMBL CAM31018 . "Streptopain precursor [Streptococcus pyogenes str. Manfredo]" . . . . . 100.00 398 99.21 99.21 0.00e+00 . . . . 5547 1 13 no EMBL CCG26933 . "Strepotococcal cysteine protease (Streptopain) / Streptococcal pyrogenic exotoxin B (SpeB) [Streptococcus pyogenes NS88.2]" . . . . . 100.00 398 99.21 99.21 0.00e+00 . . . . 5547 1 14 no GB AAA26978 . "pyrogenic exotoxin type B [Streptococcus pyogenes]" . . . . . 100.00 398 99.21 99.21 0.00e+00 . . . . 5547 1 15 no GB AAA26979 . "pyrogenic exotoxin B [Streptococcus pyogenes]" . . . . . 100.00 398 99.21 99.21 0.00e+00 . . . . 5547 1 16 no GB AAA26980 . "pyrogenic exotoxin B [Streptococcus pyogenes]" . . . . . 100.00 398 99.21 99.21 0.00e+00 . . . . 5547 1 17 no GB AAA26981 . "pyrogenic exotoxin B [Streptococcus pyogenes]" . . . . . 100.00 398 98.81 99.21 0.00e+00 . . . . 5547 1 18 no GB AAA26982 . "pyrogenic exotoxin B [Streptococcus pyogenes]" . . . . . 100.00 398 99.60 99.60 0.00e+00 . . . . 5547 1 19 no REF NP_269985 . "pyrogenic exotoxin B [Streptococcus pyogenes M1 GAS]" . . . . . 100.00 398 99.60 99.60 0.00e+00 . . . . 5547 1 20 no REF NP_608060 . "pyrogenic exotoxin B [Streptococcus pyogenes MGAS8232]" . . . . . 100.00 398 99.21 99.21 0.00e+00 . . . . 5547 1 21 no REF NP_665546 . "pyrogenic exotoxin B [Streptococcus pyogenes MGAS315]" . . . . . 100.00 398 99.21 99.21 0.00e+00 . . . . 5547 1 22 no REF NP_803001 . "protein SpeB [Streptococcus pyogenes SSI-1]" . . . . . 100.00 398 99.21 99.21 0.00e+00 . . . . 5547 1 23 no REF WP_002982421 . "peptidase C10 [Streptococcus pyogenes]" . . . . . 100.00 398 98.81 99.21 0.00e+00 . . . . 5547 1 24 no SP P0C0J0 . "RecName: Full=Streptopain; AltName: Full=Exotoxin type B; AltName: Full=SPE B; AltName: Full=Streptococcal cysteine proteinase;" . . . . . 100.00 398 99.21 99.21 0.00e+00 . . . . 5547 1 25 no SP P0C0J1 . "RecName: Full=Streptopain; AltName: Full=Exotoxin type B; AltName: Full=SPE B; AltName: Full=Streptococcal cysteine proteinase;" . . . . . 100.00 398 99.60 99.60 0.00e+00 . . . . 5547 1 26 no SP P0DD38 . "RecName: Full=Streptopain; AltName: Full=Exotoxin type B; AltName: Full=SPE B; AltName: Full=Streptococcal cysteine proteinase;" . . . . . 100.00 398 99.21 99.21 0.00e+00 . . . . 5547 1 27 no SP P0DD39 . "RecName: Full=Streptopain; AltName: Full=Exotoxin type B; AltName: Full=SPE B; AltName: Full=Streptococcal cysteine proteinase;" . . . . . 100.00 398 99.21 99.21 0.00e+00 . . . . 5547 1 28 no SP P68885 . "RecName: Full=Streptopain; AltName: Full=Exotoxin type B; AltName: Full=SPE B; AltName: Full=Streptococcal cysteine proteinase;" . . . . . 100.00 398 99.21 99.21 0.00e+00 . . . . 5547 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'streptococcal pyrogenic exotoxin B' common 5547 1 'Speb or SPE B' abbreviation 5547 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 . GLN . 5547 1 2 . PRO . 5547 1 3 . VAL . 5547 1 4 . VAL . 5547 1 5 . LYS . 5547 1 6 . SER . 5547 1 7 . LEU . 5547 1 8 . LEU . 5547 1 9 . ASP . 5547 1 10 . SER . 5547 1 11 . LYS . 5547 1 12 . GLY . 5547 1 13 . ILE . 5547 1 14 . HIS . 5547 1 15 . TYR . 5547 1 16 . ASN . 5547 1 17 . GLN . 5547 1 18 . GLY . 5547 1 19 . ASN . 5547 1 20 . PRO . 5547 1 21 . TYR . 5547 1 22 . ASN . 5547 1 23 . LEU . 5547 1 24 . LEU . 5547 1 25 . THR . 5547 1 26 . PRO . 5547 1 27 . VAL . 5547 1 28 . ILE . 5547 1 29 . GLU . 5547 1 30 . LYS . 5547 1 31 . VAL . 5547 1 32 . LYS . 5547 1 33 . PRO . 5547 1 34 . GLY . 5547 1 35 . GLU . 5547 1 36 . GLN . 5547 1 37 . SER . 5547 1 38 . PHE . 5547 1 39 . VAL . 5547 1 40 . GLY . 5547 1 41 . GLN . 5547 1 42 . HIS . 5547 1 43 . ALA . 5547 1 44 . ALA . 5547 1 45 . THR . 5547 1 46 . GLY . 5547 1 47 . SER . 5547 1 48 . VAL . 5547 1 49 . ALA . 5547 1 50 . THR . 5547 1 51 . ALA . 5547 1 52 . THR . 5547 1 53 . ALA . 5547 1 54 . GLN . 5547 1 55 . ILE . 5547 1 56 . MET . 5547 1 57 . LYS . 5547 1 58 . TYR . 5547 1 59 . HIS . 5547 1 60 . ASN . 5547 1 61 . TYR . 5547 1 62 . PRO . 5547 1 63 . ASN . 5547 1 64 . LYS . 5547 1 65 . GLY . 5547 1 66 . LEU . 5547 1 67 . LYS . 5547 1 68 . ASP . 5547 1 69 . TYR . 5547 1 70 . THR . 5547 1 71 . TYR . 5547 1 72 . THR . 5547 1 73 . LEU . 5547 1 74 . SER . 5547 1 75 . SER . 5547 1 76 . ASN . 5547 1 77 . ASN . 5547 1 78 . PRO . 5547 1 79 . TYR . 5547 1 80 . PHE . 5547 1 81 . ASN . 5547 1 82 . HIS . 5547 1 83 . PRO . 5547 1 84 . LYS . 5547 1 85 . ASN . 5547 1 86 . LEU . 5547 1 87 . PHE . 5547 1 88 . ALA . 5547 1 89 . ALA . 5547 1 90 . ILE . 5547 1 91 . SER . 5547 1 92 . THR . 5547 1 93 . ARG . 5547 1 94 . GLN . 5547 1 95 . TYR . 5547 1 96 . ASN . 5547 1 97 . TRP . 5547 1 98 . ASN . 5547 1 99 . ASN . 5547 1 100 . ILE . 5547 1 101 . LEU . 5547 1 102 . PRO . 5547 1 103 . THR . 5547 1 104 . TYR . 5547 1 105 . SER . 5547 1 106 . GLY . 5547 1 107 . ARG . 5547 1 108 . GLU . 5547 1 109 . SER . 5547 1 110 . ASN . 5547 1 111 . VAL . 5547 1 112 . GLN . 5547 1 113 . LYS . 5547 1 114 . MET . 5547 1 115 . ALA . 5547 1 116 . ILE . 5547 1 117 . SER . 5547 1 118 . GLU . 5547 1 119 . LEU . 5547 1 120 . MET . 5547 1 121 . ALA . 5547 1 122 . ASP . 5547 1 123 . VAL . 5547 1 124 . GLY . 5547 1 125 . ILE . 5547 1 126 . SER . 5547 1 127 . VAL . 5547 1 128 . ASP . 5547 1 129 . MET . 5547 1 130 . ASP . 5547 1 131 . TYR . 5547 1 132 . GLY . 5547 1 133 . PRO . 5547 1 134 . SER . 5547 1 135 . SER . 5547 1 136 . GLY . 5547 1 137 . SER . 5547 1 138 . ALA . 5547 1 139 . GLY . 5547 1 140 . SER . 5547 1 141 . SER . 5547 1 142 . ARG . 5547 1 143 . VAL . 5547 1 144 . GLN . 5547 1 145 . ARG . 5547 1 146 . ALA . 5547 1 147 . LEU . 5547 1 148 . LYS . 5547 1 149 . GLU . 5547 1 150 . ASN . 5547 1 151 . PHE . 5547 1 152 . GLY . 5547 1 153 . TYR . 5547 1 154 . ASN . 5547 1 155 . GLN . 5547 1 156 . SER . 5547 1 157 . VAL . 5547 1 158 . HIS . 5547 1 159 . GLN . 5547 1 160 . ILE . 5547 1 161 . ASN . 5547 1 162 . ARG . 5547 1 163 . GLY . 5547 1 164 . ASP . 5547 1 165 . PHE . 5547 1 166 . SER . 5547 1 167 . LYS . 5547 1 168 . GLN . 5547 1 169 . ASP . 5547 1 170 . TRP . 5547 1 171 . GLU . 5547 1 172 . ALA . 5547 1 173 . GLN . 5547 1 174 . ILE . 5547 1 175 . ASP . 5547 1 176 . LYS . 5547 1 177 . GLU . 5547 1 178 . LEU . 5547 1 179 . SER . 5547 1 180 . GLN . 5547 1 181 . ASN . 5547 1 182 . GLN . 5547 1 183 . PRO . 5547 1 184 . VAL . 5547 1 185 . TYR . 5547 1 186 . TYR . 5547 1 187 . GLN . 5547 1 188 . GLY . 5547 1 189 . VAL . 5547 1 190 . GLY . 5547 1 191 . LYS . 5547 1 192 . VAL . 5547 1 193 . GLY . 5547 1 194 . GLY . 5547 1 195 . HIS . 5547 1 196 . ALA . 5547 1 197 . PHE . 5547 1 198 . VAL . 5547 1 199 . ILE . 5547 1 200 . ASP . 5547 1 201 . GLY . 5547 1 202 . ALA . 5547 1 203 . ASP . 5547 1 204 . GLY . 5547 1 205 . ARG . 5547 1 206 . ASN . 5547 1 207 . PHE . 5547 1 208 . TYR . 5547 1 209 . HIS . 5547 1 210 . VAL . 5547 1 211 . ASN . 5547 1 212 . TRP . 5547 1 213 . GLY . 5547 1 214 . TRP . 5547 1 215 . GLY . 5547 1 216 . GLY . 5547 1 217 . VAL . 5547 1 218 . SER . 5547 1 219 . ASP . 5547 1 220 . GLY . 5547 1 221 . PHE . 5547 1 222 . PHE . 5547 1 223 . ARG . 5547 1 224 . LEU . 5547 1 225 . ASP . 5547 1 226 . ALA . 5547 1 227 . LEU . 5547 1 228 . ASN . 5547 1 229 . PRO . 5547 1 230 . SER . 5547 1 231 . ALA . 5547 1 232 . LEU . 5547 1 233 . GLY . 5547 1 234 . THR . 5547 1 235 . GLY . 5547 1 236 . GLY . 5547 1 237 . GLY . 5547 1 238 . ALA . 5547 1 239 . GLY . 5547 1 240 . GLY . 5547 1 241 . PHE . 5547 1 242 . ASN . 5547 1 243 . GLY . 5547 1 244 . TYR . 5547 1 245 . GLN . 5547 1 246 . SER . 5547 1 247 . ALA . 5547 1 248 . VAL . 5547 1 249 . VAL . 5547 1 250 . GLY . 5547 1 251 . ILE . 5547 1 252 . LYS . 5547 1 253 . PRO . 5547 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 . GLN 1 1 5547 1 . PRO 2 2 5547 1 . VAL 3 3 5547 1 . VAL 4 4 5547 1 . LYS 5 5 5547 1 . SER 6 6 5547 1 . LEU 7 7 5547 1 . LEU 8 8 5547 1 . ASP 9 9 5547 1 . SER 10 10 5547 1 . LYS 11 11 5547 1 . GLY 12 12 5547 1 . ILE 13 13 5547 1 . HIS 14 14 5547 1 . TYR 15 15 5547 1 . ASN 16 16 5547 1 . GLN 17 17 5547 1 . GLY 18 18 5547 1 . ASN 19 19 5547 1 . PRO 20 20 5547 1 . TYR 21 21 5547 1 . ASN 22 22 5547 1 . LEU 23 23 5547 1 . LEU 24 24 5547 1 . THR 25 25 5547 1 . PRO 26 26 5547 1 . VAL 27 27 5547 1 . ILE 28 28 5547 1 . GLU 29 29 5547 1 . LYS 30 30 5547 1 . VAL 31 31 5547 1 . LYS 32 32 5547 1 . PRO 33 33 5547 1 . GLY 34 34 5547 1 . GLU 35 35 5547 1 . GLN 36 36 5547 1 . SER 37 37 5547 1 . PHE 38 38 5547 1 . VAL 39 39 5547 1 . GLY 40 40 5547 1 . GLN 41 41 5547 1 . HIS 42 42 5547 1 . ALA 43 43 5547 1 . ALA 44 44 5547 1 . THR 45 45 5547 1 . GLY 46 46 5547 1 . SER 47 47 5547 1 . VAL 48 48 5547 1 . ALA 49 49 5547 1 . THR 50 50 5547 1 . ALA 51 51 5547 1 . THR 52 52 5547 1 . ALA 53 53 5547 1 . GLN 54 54 5547 1 . ILE 55 55 5547 1 . MET 56 56 5547 1 . LYS 57 57 5547 1 . TYR 58 58 5547 1 . HIS 59 59 5547 1 . ASN 60 60 5547 1 . TYR 61 61 5547 1 . PRO 62 62 5547 1 . ASN 63 63 5547 1 . LYS 64 64 5547 1 . GLY 65 65 5547 1 . LEU 66 66 5547 1 . LYS 67 67 5547 1 . ASP 68 68 5547 1 . TYR 69 69 5547 1 . THR 70 70 5547 1 . TYR 71 71 5547 1 . THR 72 72 5547 1 . LEU 73 73 5547 1 . SER 74 74 5547 1 . SER 75 75 5547 1 . ASN 76 76 5547 1 . ASN 77 77 5547 1 . PRO 78 78 5547 1 . TYR 79 79 5547 1 . PHE 80 80 5547 1 . ASN 81 81 5547 1 . HIS 82 82 5547 1 . PRO 83 83 5547 1 . LYS 84 84 5547 1 . ASN 85 85 5547 1 . LEU 86 86 5547 1 . PHE 87 87 5547 1 . ALA 88 88 5547 1 . ALA 89 89 5547 1 . ILE 90 90 5547 1 . SER 91 91 5547 1 . THR 92 92 5547 1 . ARG 93 93 5547 1 . GLN 94 94 5547 1 . TYR 95 95 5547 1 . ASN 96 96 5547 1 . TRP 97 97 5547 1 . ASN 98 98 5547 1 . ASN 99 99 5547 1 . ILE 100 100 5547 1 . LEU 101 101 5547 1 . PRO 102 102 5547 1 . THR 103 103 5547 1 . TYR 104 104 5547 1 . SER 105 105 5547 1 . GLY 106 106 5547 1 . ARG 107 107 5547 1 . GLU 108 108 5547 1 . SER 109 109 5547 1 . ASN 110 110 5547 1 . VAL 111 111 5547 1 . GLN 112 112 5547 1 . LYS 113 113 5547 1 . MET 114 114 5547 1 . ALA 115 115 5547 1 . ILE 116 116 5547 1 . SER 117 117 5547 1 . GLU 118 118 5547 1 . LEU 119 119 5547 1 . MET 120 120 5547 1 . ALA 121 121 5547 1 . ASP 122 122 5547 1 . VAL 123 123 5547 1 . GLY 124 124 5547 1 . ILE 125 125 5547 1 . SER 126 126 5547 1 . VAL 127 127 5547 1 . ASP 128 128 5547 1 . MET 129 129 5547 1 . ASP 130 130 5547 1 . TYR 131 131 5547 1 . GLY 132 132 5547 1 . PRO 133 133 5547 1 . SER 134 134 5547 1 . SER 135 135 5547 1 . GLY 136 136 5547 1 . SER 137 137 5547 1 . ALA 138 138 5547 1 . GLY 139 139 5547 1 . SER 140 140 5547 1 . SER 141 141 5547 1 . ARG 142 142 5547 1 . VAL 143 143 5547 1 . GLN 144 144 5547 1 . ARG 145 145 5547 1 . ALA 146 146 5547 1 . LEU 147 147 5547 1 . LYS 148 148 5547 1 . GLU 149 149 5547 1 . ASN 150 150 5547 1 . PHE 151 151 5547 1 . GLY 152 152 5547 1 . TYR 153 153 5547 1 . ASN 154 154 5547 1 . GLN 155 155 5547 1 . SER 156 156 5547 1 . VAL 157 157 5547 1 . HIS 158 158 5547 1 . GLN 159 159 5547 1 . ILE 160 160 5547 1 . ASN 161 161 5547 1 . ARG 162 162 5547 1 . GLY 163 163 5547 1 . ASP 164 164 5547 1 . PHE 165 165 5547 1 . SER 166 166 5547 1 . LYS 167 167 5547 1 . GLN 168 168 5547 1 . ASP 169 169 5547 1 . TRP 170 170 5547 1 . GLU 171 171 5547 1 . ALA 172 172 5547 1 . GLN 173 173 5547 1 . ILE 174 174 5547 1 . ASP 175 175 5547 1 . LYS 176 176 5547 1 . GLU 177 177 5547 1 . LEU 178 178 5547 1 . SER 179 179 5547 1 . GLN 180 180 5547 1 . ASN 181 181 5547 1 . GLN 182 182 5547 1 . PRO 183 183 5547 1 . VAL 184 184 5547 1 . TYR 185 185 5547 1 . TYR 186 186 5547 1 . GLN 187 187 5547 1 . GLY 188 188 5547 1 . VAL 189 189 5547 1 . GLY 190 190 5547 1 . LYS 191 191 5547 1 . VAL 192 192 5547 1 . GLY 193 193 5547 1 . GLY 194 194 5547 1 . HIS 195 195 5547 1 . ALA 196 196 5547 1 . PHE 197 197 5547 1 . VAL 198 198 5547 1 . ILE 199 199 5547 1 . ASP 200 200 5547 1 . GLY 201 201 5547 1 . ALA 202 202 5547 1 . ASP 203 203 5547 1 . GLY 204 204 5547 1 . ARG 205 205 5547 1 . ASN 206 206 5547 1 . PHE 207 207 5547 1 . TYR 208 208 5547 1 . HIS 209 209 5547 1 . VAL 210 210 5547 1 . ASN 211 211 5547 1 . TRP 212 212 5547 1 . GLY 213 213 5547 1 . TRP 214 214 5547 1 . GLY 215 215 5547 1 . GLY 216 216 5547 1 . VAL 217 217 5547 1 . SER 218 218 5547 1 . ASP 219 219 5547 1 . GLY 220 220 5547 1 . PHE 221 221 5547 1 . PHE 222 222 5547 1 . ARG 223 223 5547 1 . LEU 224 224 5547 1 . ASP 225 225 5547 1 . ALA 226 226 5547 1 . LEU 227 227 5547 1 . ASN 228 228 5547 1 . PRO 229 229 5547 1 . SER 230 230 5547 1 . ALA 231 231 5547 1 . LEU 232 232 5547 1 . GLY 233 233 5547 1 . THR 234 234 5547 1 . GLY 235 235 5547 1 . GLY 236 236 5547 1 . GLY 237 237 5547 1 . ALA 238 238 5547 1 . GLY 239 239 5547 1 . GLY 240 240 5547 1 . PHE 241 241 5547 1 . ASN 242 242 5547 1 . GLY 243 243 5547 1 . TYR 244 244 5547 1 . GLN 245 245 5547 1 . SER 246 246 5547 1 . ALA 247 247 5547 1 . VAL 248 248 5547 1 . VAL 249 249 5547 1 . GLY 250 250 5547 1 . ILE 251 251 5547 1 . LYS 252 252 5547 1 . PRO 253 253 5547 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 5547 _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 $streptopain . 1314 . . 'Streptococcus pyogenes' 'Streptococcus pyogenes' . . Eubacteria . Streptococcus pyogenes . . . . . . . . . . . . . . . . . . . . . 5547 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 5547 _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 $streptopain . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pET-21a . . . . . . 5547 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5547 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'streptococcal pyrogenic exotoxin B' . . . 1 $streptopain . . . 1.2 1.8 mM . . . . 5547 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5547 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'streptococcal pyrogenic exotoxin B' '[U-75% 2H; U-95% 13C; U-95% 15N]' . . 1 $streptopain . . . 2.0 2.5 mM . . . . 5547 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5547 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'streptococcal pyrogenic exotoxin B' '[U-95% 13C; U-95% 15N]' . . 1 $streptopain . . . 2.0 2.5 mM . . . . 5547 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 5547 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'streptococcal pyrogenic exotoxin B' '[U-95% 15N]' . . 1 $streptopain . . . 2 2.5 mM . . . . 5547 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 5547 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'streptococcal pyrogenic exotoxin B' [15N]-Ala . . 1 $streptopain . . . 2 2.5 mM . . . . 5547 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 5547 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'streptococcal pyrogenic exotoxin B' [15N]-Asp . . 1 $streptopain . . . 2 2.5 mM . . . . 5547 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 5547 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'streptococcal pyrogenic exotoxin B' [15N]-Glu . . 1 $streptopain . . . 2 2.5 mM . . . . 5547 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 5547 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'streptococcal pyrogenic exotoxin B' [15N]-Phe . . 1 $streptopain . . . 2 2.5 mM . . . . 5547 8 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 5547 _Sample.ID 9 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'streptococcal pyrogenic exotoxin B' [15N]-Gly . . 1 $streptopain . . . 2 2.5 mM . . . . 5547 9 stop_ save_ save_sample_10 _Sample.Sf_category sample _Sample.Sf_framecode sample_10 _Sample.Entry_ID 5547 _Sample.ID 10 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'streptococcal pyrogenic exotoxin B' [15N]-His . . 1 $streptopain . . . 2 2.5 mM . . . . 5547 10 stop_ save_ save_sample_11 _Sample.Sf_category sample _Sample.Sf_framecode sample_11 _Sample.Entry_ID 5547 _Sample.ID 11 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'streptococcal pyrogenic exotoxin B' [15N]-Ile . . 1 $streptopain . . . 2 2.5 mM . . . . 5547 11 stop_ save_ save_sample_12 _Sample.Sf_category sample _Sample.Sf_framecode sample_12 _Sample.Entry_ID 5547 _Sample.ID 12 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'streptococcal pyrogenic exotoxin B' [15N]-Lys . . 1 $streptopain . . . 2 2.5 mM . . . . 5547 12 stop_ save_ save_sample_13 _Sample.Sf_category sample _Sample.Sf_framecode sample_13 _Sample.Entry_ID 5547 _Sample.ID 13 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'streptococcal pyrogenic exotoxin B' [15N]-Leu . . 1 $streptopain . . . 2 2.5 mM . . . . 5547 13 stop_ save_ save_sample_14 _Sample.Sf_category sample _Sample.Sf_framecode sample_14 _Sample.Entry_ID 5547 _Sample.ID 14 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'streptococcal pyrogenic exotoxin B' [15N]-Met . . 1 $streptopain . . . 2 2.5 mM . . . . 5547 14 stop_ save_ save_sample_15 _Sample.Sf_category sample _Sample.Sf_framecode sample_15 _Sample.Entry_ID 5547 _Sample.ID 15 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'streptococcal pyrogenic exotoxin B' [15N]-Gln . . 1 $streptopain . . . 2 2.5 mM . . . . 5547 15 stop_ save_ save_sample_16 _Sample.Sf_category sample _Sample.Sf_framecode sample_16 _Sample.Entry_ID 5547 _Sample.ID 16 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'streptococcal pyrogenic exotoxin B' [15N]-Val . . 1 $streptopain . . . 2 2.5 mM . . . . 5547 16 stop_ save_ save_sample_17 _Sample.Sf_category sample _Sample.Sf_framecode sample_17 _Sample.Entry_ID 5547 _Sample.ID 17 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'streptococcal pyrogenic exotoxin B' [15N]-Tyr . . 1 $streptopain . . . 2 2.5 mM . . . . 5547 17 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5547 _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 pH 6.0 0.005 na 5547 1 temperature 300 0.1 K 5547 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 5547 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5547 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5547 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5547 _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 NMR_spectrometer Bruker Avance . 600 . . . 5547 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 5547 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5547 1 2 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5547 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5547 1 4 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5547 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5547 1 6 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5547 1 7 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5547 1 8 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5547 1 9 1H-15N-TOCSY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5547 1 10 1H-15N-NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5547 1 11 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5547 1 12 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5547 1 13 '2D COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5547 1 14 HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5547 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5547 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5547 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5547 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5547 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5547 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5547 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5547 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5547 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5547 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 1H-15N-TOCSY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5547 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 1H-15N-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5547 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5547 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5547 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '2D COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5547 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5547 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5547 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5547 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5547 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5547 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 HNCA . . . 5547 1 2 HN(CO)CA . . . 5547 1 3 HNCO . . . 5547 1 4 HN(CA)CO . . . 5547 1 5 HNCACB . . . 5547 1 6 CBCA(CO)NH . . . 5547 1 7 HNHA . . . 5547 1 8 HCCH-TOCSY . . . 5547 1 9 1H-15N-TOCSY-HSQC . . . 5547 1 10 1H-15N-NOESY-HSQC . . . 5547 1 11 '2D NOESY' . . . 5547 1 12 '2D TOCSY' . . . 5547 1 13 '2D COSY' . . . 5547 1 14 HSQC . . . 5547 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 4 4 VAL H H 1 8.68 0.01 . 1 . . . . . . . . 5547 1 2 . 1 1 4 4 VAL HA H 1 3.70 0.01 . 1 . . . . . . . . 5547 1 3 . 1 1 4 4 VAL CA C 13 58.7 0.1 . 1 . . . . . . . . 5547 1 4 . 1 1 4 4 VAL CB C 13 31.5 0.1 . 1 . . . . . . . . 5547 1 5 . 1 1 4 4 VAL N N 15 128.4 0.1 . 1 . . . . . . . . 5547 1 6 . 1 1 5 5 LYS H H 1 8.70 0.01 . 1 . . . . . . . . 5547 1 7 . 1 1 5 5 LYS HA H 1 4.28 0.01 . 1 . . . . . . . . 5547 1 8 . 1 1 5 5 LYS CA C 13 53.9 0.1 . 1 . . . . . . . . 5547 1 9 . 1 1 5 5 LYS CB C 13 28.0 0.1 . 1 . . . . . . . . 5547 1 10 . 1 1 5 5 LYS N N 15 128.8 0.1 . 1 . . . . . . . . 5547 1 11 . 1 1 6 6 SER H H 1 8.28 0.01 . 1 . . . . . . . . 5547 1 12 . 1 1 6 6 SER HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 13 . 1 1 6 6 SER CA C 13 55.2 0.1 . 1 . . . . . . . . 5547 1 14 . 1 1 6 6 SER CB C 13 58.5 0.1 . 1 . . . . . . . . 5547 1 15 . 1 1 6 6 SER N N 15 111.5 0.1 . 1 . . . . . . . . 5547 1 16 . 1 1 7 7 LEU H H 1 9.21 0.01 . 1 . . . . . . . . 5547 1 17 . 1 1 7 7 LEU HA H 1 3.96 0.01 . 1 . . . . . . . . 5547 1 18 . 1 1 7 7 LEU CA C 13 54.7 0.1 . 1 . . . . . . . . 5547 1 19 . 1 1 7 7 LEU CB C 13 38.5 0.1 . 1 . . . . . . . . 5547 1 20 . 1 1 7 7 LEU N N 15 100.6 0.1 . 1 . . . . . . . . 5547 1 21 . 1 1 8 8 LEU H H 1 9.35 0.01 . 1 . . . . . . . . 5547 1 22 . 1 1 8 8 LEU HA H 1 4.66 0.01 . 1 . . . . . . . . 5547 1 23 . 1 1 8 8 LEU CA C 13 55.9 0.1 . 1 . . . . . . . . 5547 1 24 . 1 1 8 8 LEU CB C 13 33.9 0.1 . 1 . . . . . . . . 5547 1 25 . 1 1 8 8 LEU N N 15 118.5 0.1 . 1 . . . . . . . . 5547 1 26 . 1 1 9 9 ASP H H 1 7.71 0.01 . 1 . . . . . . . . 5547 1 27 . 1 1 9 9 ASP HA H 1 4.16 0.01 . 1 . . . . . . . . 5547 1 28 . 1 1 9 9 ASP CA C 13 54.7 0.1 . 1 . . . . . . . . 5547 1 29 . 1 1 9 9 ASP CB C 13 35.0 0.1 . 1 . . . . . . . . 5547 1 30 . 1 1 9 9 ASP N N 15 119.5 0.1 . 1 . . . . . . . . 5547 1 31 . 1 1 10 10 SER H H 1 7.54 0.01 . 1 . . . . . . . . 5547 1 32 . 1 1 10 10 SER HA H 1 4.19 0.01 . 1 . . . . . . . . 5547 1 33 . 1 1 10 10 SER CA C 13 58.7 0.1 . 1 . . . . . . . . 5547 1 34 . 1 1 10 10 SER CB C 13 59.6 0.1 . 1 . . . . . . . . 5547 1 35 . 1 1 10 10 SER N N 15 115.2 0.1 . 1 . . . . . . . . 5547 1 36 . 1 1 11 11 LYS H H 1 6.76 0.01 . 1 . . . . . . . . 5547 1 37 . 1 1 11 11 LYS HA H 1 4.52 0.01 . 1 . . . . . . . . 5547 1 38 . 1 1 11 11 LYS CA C 13 52.2 0.1 . 1 . . . . . . . . 5547 1 39 . 1 1 11 11 LYS CB C 13 30.3 0.1 . 1 . . . . . . . . 5547 1 40 . 1 1 11 11 LYS N N 15 112.8 0.1 . 1 . . . . . . . . 5547 1 41 . 1 1 12 12 GLY H H 1 7.77 0.01 . 1 . . . . . . . . 5547 1 42 . 1 1 12 12 GLY HA2 H 1 3.81 0.01 . 1 . . . . . . . . 5547 1 43 . 1 1 12 12 GLY HA3 H 1 3.96 0.01 . 1 . . . . . . . . 5547 1 44 . 1 1 12 12 GLY CA C 13 43.7 0.1 . 1 . . . . . . . . 5547 1 45 . 1 1 12 12 GLY N N 15 109.8 0.1 . 1 . . . . . . . . 5547 1 46 . 1 1 13 13 ILE H H 1 7.31 0.01 . 1 . . . . . . . . 5547 1 47 . 1 1 13 13 ILE HA H 1 4.25 0.01 . 1 . . . . . . . . 5547 1 48 . 1 1 13 13 ILE CA C 13 57.9 0.1 . 1 . . . . . . . . 5547 1 49 . 1 1 13 13 ILE CB C 13 35.0 0.1 . 1 . . . . . . . . 5547 1 50 . 1 1 13 13 ILE N N 15 120.2 0.1 . 1 . . . . . . . . 5547 1 51 . 1 1 14 14 HIS H H 1 7.85 0.01 . 1 . . . . . . . . 5547 1 52 . 1 1 14 14 HIS HA H 1 4.28 0.01 . 1 . . . . . . . . 5547 1 53 . 1 1 14 14 HIS CA C 13 54.2 0.1 . 1 . . . . . . . . 5547 1 54 . 1 1 14 14 HIS CB C 13 24.5 0.1 . 1 . . . . . . . . 5547 1 55 . 1 1 14 14 HIS N N 15 120.2 0.1 . 1 . . . . . . . . 5547 1 56 . 1 1 15 15 TYR H H 1 9.1 0.1 . 1 . . . . . . . . 5547 1 57 . 1 1 15 15 TYR HA H 1 4.52 0.01 . 1 . . . . . . . . 5547 1 58 . 1 1 15 15 TYR CA C 13 57.2 0.1 . 1 . . . . . . . . 5547 1 59 . 1 1 15 15 TYR CB C 13 35.0 0.1 . 1 . . . . . . . . 5547 1 60 . 1 1 15 15 TYR N N 15 122.5 0.1 . 1 . . . . . . . . 5547 1 61 . 1 1 16 16 ASN H H 1 7.54 0.01 . 1 . . . . . . . . 5547 1 62 . 1 1 16 16 ASN HA H 1 4.46 0.01 . 1 . . . . . . . . 5547 1 63 . 1 1 16 16 ASN CA C 13 48.7 0.1 . 1 . . . . . . . . 5547 1 64 . 1 1 16 16 ASN CB C 13 33.9 0.1 . 1 . . . . . . . . 5547 1 65 . 1 1 16 16 ASN N N 15 114.3 0.1 . 1 . . . . . . . . 5547 1 66 . 1 1 17 17 GLN H H 1 8.93 0.01 . 1 . . . . . . . . 5547 1 67 . 1 1 17 17 GLN HA H 1 5.16 0.01 . 1 . . . . . . . . 5547 1 68 . 1 1 17 17 GLN CA C 13 53.4 0.1 . 1 . . . . . . . . 5547 1 69 . 1 1 17 17 GLN CB C 13 37.4 0.1 . 1 . . . . . . . . 5547 1 70 . 1 1 17 17 GLN N N 15 115.5 0.1 . 1 . . . . . . . . 5547 1 71 . 1 1 18 18 GLY H H 1 7.62 0.01 . 1 . . . . . . . . 5547 1 72 . 1 1 18 18 GLY HA2 H 1 3.67 0.01 . 1 . . . . . . . . 5547 1 73 . 1 1 18 18 GLY HA3 H 1 3.67 0.01 . 1 . . . . . . . . 5547 1 74 . 1 1 18 18 GLY CA C 13 40.4 0.1 . 1 . . . . . . . . 5547 1 75 . 1 1 18 18 GLY N N 15 107.0 0.1 . 1 . . . . . . . . 5547 1 76 . 1 1 19 19 ASN H H 1 8.96 0.01 . 1 . . . . . . . . 5547 1 77 . 1 1 19 19 ASN HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 78 . 1 1 19 19 ASN CA C 13 50.2 0.1 . 1 . . . . . . . . 5547 1 79 . 1 1 19 19 ASN CB C 13 36.2 0.1 . 1 . . . . . . . . 5547 1 80 . 1 1 19 19 ASN N N 15 123.2 0.1 . 1 . . . . . . . . 5547 1 81 . 1 1 20 20 PRO HA H 1 4.49 0.01 . 1 . . . . . . . . 5547 1 82 . 1 1 20 20 PRO CA C 13 62.0 0.1 . 1 . . . . . . . . 5547 1 83 . 1 1 20 20 PRO CB C 13 26.8 0.1 . 1 . . . . . . . . 5547 1 84 . 1 1 21 21 TYR H H 1 8.55 0.01 . 1 . . . . . . . . 5547 1 85 . 1 1 21 21 TYR HA H 1 4.49 0.01 . 1 . . . . . . . . 5547 1 86 . 1 1 21 21 TYR CA C 13 56.9 0.1 . 1 . . . . . . . . 5547 1 87 . 1 1 21 21 TYR CB C 13 33.9 0.1 . 1 . . . . . . . . 5547 1 88 . 1 1 21 21 TYR N N 15 119.7 0.1 . 1 . . . . . . . . 5547 1 89 . 1 1 22 22 ASN H H 1 7.54 0.01 . 1 . . . . . . . . 5547 1 90 . 1 1 22 22 ASN HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 91 . 1 1 22 22 ASN CA C 13 48.7 0.1 . 1 . . . . . . . . 5547 1 92 . 1 1 22 22 ASN CB C 13 33.9 0.1 . 1 . . . . . . . . 5547 1 93 . 1 1 22 22 ASN N N 15 114.3 0.1 . 1 . . . . . . . . 5547 1 94 . 1 1 23 23 LEU H H 1 7.03 0.01 . 1 . . . . . . . . 5547 1 95 . 1 1 23 23 LEU HA H 1 4.25 0.01 . 1 . . . . . . . . 5547 1 96 . 1 1 23 23 LEU CA C 13 57.4 0.1 . 1 . . . . . . . . 5547 1 97 . 1 1 23 23 LEU CB C 13 36.2 0.1 . 1 . . . . . . . . 5547 1 98 . 1 1 23 23 LEU N N 15 110.8 0.1 . 1 . . . . . . . . 5547 1 99 . 1 1 24 24 LEU H H 1 8.44 0.01 . 1 . . . . . . . . 5547 1 100 . 1 1 24 24 LEU HA H 1 4.34 0.01 . 1 . . . . . . . . 5547 1 101 . 1 1 24 24 LEU CA C 13 50.2 0.1 . 1 . . . . . . . . 5547 1 102 . 1 1 24 24 LEU CB C 13 38.5 0.1 . 1 . . . . . . . . 5547 1 103 . 1 1 24 24 LEU N N 15 114.0 0.1 . 1 . . . . . . . . 5547 1 104 . 1 1 25 25 THR H H 1 7.08 0.01 . 1 . . . . . . . . 5547 1 105 . 1 1 25 25 THR HA H 1 4.25 0.01 . 1 . . . . . . . . 5547 1 106 . 1 1 25 25 THR CA C 13 53.7 0.1 . 1 . . . . . . . . 5547 1 107 . 1 1 25 25 THR CB C 13 63.1 0.1 . 1 . . . . . . . . 5547 1 108 . 1 1 25 25 THR N N 15 111.1 0.1 . 1 . . . . . . . . 5547 1 109 . 1 1 26 26 PRO HA H 1 4.25 0.01 . 1 . . . . . . . . 5547 1 110 . 1 1 26 26 PRO CA C 13 61.0 0.1 . 1 . . . . . . . . 5547 1 111 . 1 1 26 26 PRO CB C 13 28.0 0.1 . 1 . . . . . . . . 5547 1 112 . 1 1 27 27 VAL H H 1 8.11 0.01 . 1 . . . . . . . . 5547 1 113 . 1 1 27 27 VAL HA H 1 4.25 0.01 . 1 . . . . . . . . 5547 1 114 . 1 1 27 27 VAL CA C 13 58.9 0.1 . 1 . . . . . . . . 5547 1 115 . 1 1 27 27 VAL CB C 13 28.0 0.1 . 1 . . . . . . . . 5547 1 116 . 1 1 27 27 VAL N N 15 121.5 0.1 . 1 . . . . . . . . 5547 1 117 . 1 1 28 28 ILE H H 1 8.44 0.01 . 1 . . . . . . . . 5547 1 118 . 1 1 28 28 ILE HA H 1 3.96 0.01 . 1 . . . . . . . . 5547 1 119 . 1 1 28 28 ILE CA C 13 61.0 0.1 . 1 . . . . . . . . 5547 1 120 . 1 1 28 28 ILE CB C 13 33.4 0.1 . 1 . . . . . . . . 5547 1 121 . 1 1 28 28 ILE N N 15 128.2 0.1 . 1 . . . . . . . . 5547 1 122 . 1 1 29 29 GLU H H 1 7.50 0.01 . 1 . . . . . . . . 5547 1 123 . 1 1 29 29 GLU HA H 1 4.54 0.01 . 1 . . . . . . . . 5547 1 124 . 1 1 29 29 GLU CA C 13 53.9 0.1 . 1 . . . . . . . . 5547 1 125 . 1 1 29 29 GLU CB C 13 29.2 0.1 . 1 . . . . . . . . 5547 1 126 . 1 1 29 29 GLU N N 15 124.8 0.1 . 1 . . . . . . . . 5547 1 127 . 1 1 30 30 LYS H H 1 7.43 0.01 . 1 . . . . . . . . 5547 1 128 . 1 1 30 30 LYS HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 129 . 1 1 30 30 LYS CA C 13 51.9 0.1 . 1 . . . . . . . . 5547 1 130 . 1 1 30 30 LYS CB C 13 32.7 0.1 . 1 . . . . . . . . 5547 1 131 . 1 1 30 30 LYS N N 15 118.5 0.1 . 1 . . . . . . . . 5547 1 132 . 1 1 31 31 VAL H H 1 8.23 0.01 . 1 . . . . . . . . 5547 1 133 . 1 1 31 31 VAL HA H 1 4.49 0.01 . 1 . . . . . . . . 5547 1 134 . 1 1 31 31 VAL CA C 13 58.4 0.1 . 1 . . . . . . . . 5547 1 135 . 1 1 31 31 VAL CB C 13 29.2 0.1 . 1 . . . . . . . . 5547 1 136 . 1 1 31 31 VAL N N 15 119.5 0.1 . 1 . . . . . . . . 5547 1 137 . 1 1 32 32 LYS H H 1 8.69 0.01 . 1 . . . . . . . . 5547 1 138 . 1 1 32 32 LYS HA H 1 4.28 0.01 . 1 . . . . . . . . 5547 1 139 . 1 1 32 32 LYS CA C 13 50.3 0.1 . 1 . . . . . . . . 5547 1 140 . 1 1 32 32 LYS CB C 13 29.2 0.1 . 1 . . . . . . . . 5547 1 141 . 1 1 32 32 LYS N N 15 101.1 0.1 . 1 . . . . . . . . 5547 1 142 . 1 1 33 33 PRO HA H 1 4.37 0.01 . 1 . . . . . . . . 5547 1 143 . 1 1 33 33 PRO CA C 13 61.5 0.1 . 1 . . . . . . . . 5547 1 144 . 1 1 33 33 PRO CB C 13 26.8 0.1 . 1 . . . . . . . . 5547 1 145 . 1 1 34 34 GLY H H 1 8.63 0.01 . 1 . . . . . . . . 5547 1 146 . 1 1 34 34 GLY HA2 H 1 4.37 0.01 . 1 . . . . . . . . 5547 1 147 . 1 1 34 34 GLY HA3 H 1 4.37 0.01 . 1 . . . . . . . . 5547 1 148 . 1 1 34 34 GLY CA C 13 42.2 0.1 . 1 . . . . . . . . 5547 1 149 . 1 1 34 34 GLY N N 15 112.5 0.1 . 1 . . . . . . . . 5547 1 150 . 1 1 35 35 GLU H H 1 8.47 0.01 . 1 . . . . . . . . 5547 1 151 . 1 1 35 35 GLU HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 152 . 1 1 35 35 GLU CA C 13 51.7 0.1 . 1 . . . . . . . . 5547 1 153 . 1 1 35 35 GLU CB C 13 29.2 0.1 . 1 . . . . . . . . 5547 1 154 . 1 1 35 35 GLU N N 15 123.5 0.1 . 1 . . . . . . . . 5547 1 155 . 1 1 36 36 GLN H H 1 8.14 0.01 . 1 . . . . . . . . 5547 1 156 . 1 1 36 36 GLN HA H 1 4.22 0.01 . 1 . . . . . . . . 5547 1 157 . 1 1 36 36 GLN CA C 13 52.9 0.1 . 1 . . . . . . . . 5547 1 158 . 1 1 36 36 GLN CB C 13 29.2 0.1 . 1 . . . . . . . . 5547 1 159 . 1 1 36 36 GLN N N 15 120.2 0.1 . 1 . . . . . . . . 5547 1 160 . 1 1 37 37 SER H H 1 8.33 0.01 . 1 . . . . . . . . 5547 1 161 . 1 1 37 37 SER HA H 1 4.49 0.01 . 1 . . . . . . . . 5547 1 162 . 1 1 37 37 SER CA C 13 55.7 0.1 . 1 . . . . . . . . 5547 1 163 . 1 1 37 37 SER CB C 13 59.6 0.1 . 1 . . . . . . . . 5547 1 164 . 1 1 37 37 SER N N 15 112.3 0.1 . 1 . . . . . . . . 5547 1 165 . 1 1 38 38 PHE H H 1 9.67 0.01 . 1 . . . . . . . . 5547 1 166 . 1 1 38 38 PHE HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 167 . 1 1 38 38 PHE CA C 13 54.4 0.1 . 1 . . . . . . . . 5547 1 168 . 1 1 38 38 PHE CB C 13 36.2 0.1 . 1 . . . . . . . . 5547 1 169 . 1 1 38 38 PHE N N 15 128.4 0.1 . 1 . . . . . . . . 5547 1 170 . 1 1 39 39 VAL H H 1 7.76 0.01 . 1 . . . . . . . . 5547 1 171 . 1 1 39 39 VAL HA H 1 4.54 0.01 . 1 . . . . . . . . 5547 1 172 . 1 1 39 39 VAL CA C 13 62.2 0.1 . 1 . . . . . . . . 5547 1 173 . 1 1 39 39 VAL CB C 13 26.8 0.1 . 1 . . . . . . . . 5547 1 174 . 1 1 39 39 VAL N N 15 119.7 0.1 . 1 . . . . . . . . 5547 1 175 . 1 1 40 40 GLY H H 1 8.44 0.01 . 1 . . . . . . . . 5547 1 176 . 1 1 40 40 GLY HA2 H 1 3.73 0.01 . 2 . . . . . . . . 5547 1 177 . 1 1 40 40 GLY HA3 H 1 3.579 0.01 . 2 . . . . . . . . 5547 1 178 . 1 1 40 40 GLY CA C 13 41.9 0.1 . 1 . . . . . . . . 5547 1 179 . 1 1 40 40 GLY N N 15 114.0 0.1 . 1 . . . . . . . . 5547 1 180 . 1 1 41 41 GLN H H 1 8.11 0.01 . 1 . . . . . . . . 5547 1 181 . 1 1 41 41 GLN HA H 1 4.63 0.01 . 1 . . . . . . . . 5547 1 182 . 1 1 41 41 GLN CA C 13 51.2 0.1 . 1 . . . . . . . . 5547 1 183 . 1 1 41 41 GLN CB C 13 25.7 0.1 . 1 . . . . . . . . 5547 1 184 . 1 1 41 41 GLN N N 15 118.5 0.1 . 1 . . . . . . . . 5547 1 185 . 1 1 42 42 HIS H H 1 8.96 0.01 . 1 . . . . . . . . 5547 1 186 . 1 1 42 42 HIS HA H 1 4.66 0.01 . 1 . . . . . . . . 5547 1 187 . 1 1 42 42 HIS CA C 13 54.7 0.1 . 1 . . . . . . . . 5547 1 188 . 1 1 42 42 HIS CB C 13 24.5 0.1 . 1 . . . . . . . . 5547 1 189 . 1 1 42 42 HIS N N 15 119.2 0.1 . 1 . . . . . . . . 5547 1 190 . 1 1 43 43 ALA H H 1 8.20 0.01 . 1 . . . . . . . . 5547 1 191 . 1 1 43 43 ALA HA H 1 4.19 0.01 . 1 . . . . . . . . 5547 1 192 . 1 1 43 43 ALA CA C 13 48.7 0.1 . 1 . . . . . . . . 5547 1 193 . 1 1 43 43 ALA CB C 13 16.3 0.1 . 1 . . . . . . . . 5547 1 194 . 1 1 43 43 ALA N N 15 124.4 0.1 . 1 . . . . . . . . 5547 1 195 . 1 1 44 44 ALA H H 1 7.87 0.01 . 1 . . . . . . . . 5547 1 196 . 1 1 44 44 ALA HA H 1 4.69 0.01 . 1 . . . . . . . . 5547 1 197 . 1 1 44 44 ALA CA C 13 49.9 0.1 . 1 . . . . . . . . 5547 1 198 . 1 1 44 44 ALA CB C 13 15.1 0.1 . 1 . . . . . . . . 5547 1 199 . 1 1 44 44 ALA N N 15 123.0 0.1 . 1 . . . . . . . . 5547 1 200 . 1 1 45 45 THR H H 1 8.88 0.01 . 1 . . . . . . . . 5547 1 201 . 1 1 45 45 THR HA H 1 4.63 0.01 . 1 . . . . . . . . 5547 1 202 . 1 1 45 45 THR CA C 13 62.5 0.1 . 1 . . . . . . . . 5547 1 203 . 1 1 45 45 THR CB C 13 65.5 0.1 . 1 . . . . . . . . 5547 1 204 . 1 1 45 45 THR N N 15 109.8 0.1 . 1 . . . . . . . . 5547 1 205 . 1 1 46 46 GLY H H 1 7.37 0.01 . 1 . . . . . . . . 5547 1 206 . 1 1 46 46 GLY HA2 H 1 4.05 0.01 . 1 . . . . . . . . 5547 1 207 . 1 1 46 46 GLY HA3 H 1 4.05 0.01 . 1 . . . . . . . . 5547 1 208 . 1 1 46 46 GLY CA C 13 42.2 0.1 . 1 . . . . . . . . 5547 1 209 . 1 1 46 46 GLY N N 15 104.0 0.1 . 1 . . . . . . . . 5547 1 210 . 1 1 47 47 SER H H 1 6.89 0.01 . 1 . . . . . . . . 5547 1 211 . 1 1 47 47 SER HA H 1 4.52 0.01 . 1 . . . . . . . . 5547 1 212 . 1 1 47 47 SER CA C 13 59.7 0.1 . 1 . . . . . . . . 5547 1 213 . 1 1 47 47 SER CB C 13 65.5 0.1 . 1 . . . . . . . . 5547 1 214 . 1 1 47 47 SER N N 15 105.3 0.1 . 1 . . . . . . . . 5547 1 215 . 1 1 48 48 VAL H H 1 7.89 0.01 . 1 . . . . . . . . 5547 1 216 . 1 1 48 48 VAL HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 217 . 1 1 48 48 VAL CA C 13 54.9 0.1 . 1 . . . . . . . . 5547 1 218 . 1 1 48 48 VAL CB C 13 25.7 0.1 . 1 . . . . . . . . 5547 1 219 . 1 1 48 48 VAL N N 15 114.7 0.1 . 1 . . . . . . . . 5547 1 220 . 1 1 49 49 ALA H H 1 8.13 0.01 . 1 . . . . . . . . 5547 1 221 . 1 1 49 49 ALA HA H 1 4.34 0.01 . 1 . . . . . . . . 5547 1 222 . 1 1 49 49 ALA CA C 13 51.4 0.1 . 1 . . . . . . . . 5547 1 223 . 1 1 49 49 ALA CB C 13 13.9 0.1 . 1 . . . . . . . . 5547 1 224 . 1 1 49 49 ALA N N 15 121.5 0.1 . 1 . . . . . . . . 5547 1 225 . 1 1 50 50 THR H H 1 8.19 0.01 . 1 . . . . . . . . 5547 1 226 . 1 1 50 50 THR HA H 1 3.55 0.01 . 1 . . . . . . . . 5547 1 227 . 1 1 50 50 THR CA C 13 61.7 0.1 . 1 . . . . . . . . 5547 1 228 . 1 1 50 50 THR CB C 13 61.6 0.1 . 1 . . . . . . . . 5547 1 229 . 1 1 50 50 THR N N 15 115.0 0.1 . 1 . . . . . . . . 5547 1 230 . 1 1 51 51 ALA H H 1 8.25 0.01 . 1 . . . . . . . . 5547 1 231 . 1 1 51 51 ALA HA H 1 3.84 0.01 . 1 . . . . . . . . 5547 1 232 . 1 1 51 51 ALA CA C 13 52.9 0.1 . 1 . . . . . . . . 5547 1 233 . 1 1 51 51 ALA CB C 13 14.6 0.1 . 1 . . . . . . . . 5547 1 234 . 1 1 51 51 ALA N N 15 122.0 0.1 . 1 . . . . . . . . 5547 1 235 . 1 1 52 52 THR H H 1 7.19 0.01 . 1 . . . . . . . . 5547 1 236 . 1 1 52 52 THR HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 237 . 1 1 52 52 THR CA C 13 63.1 0.1 . 1 . . . . . . . . 5547 1 238 . 1 1 52 52 THR CB C 13 63.1 0.1 . 1 . . . . . . . . 5547 1 239 . 1 1 52 52 THR N N 15 111.8 0.1 . 1 . . . . . . . . 5547 1 240 . 1 1 53 53 ALA CA C 13 52.7 0.1 . 1 . . . . . . . . 5547 1 241 . 1 1 53 53 ALA CB C 13 13.9 0.1 . 1 . . . . . . . . 5547 1 242 . 1 1 54 54 GLN H H 1 7.76 0.01 . 1 . . . . . . . . 5547 1 243 . 1 1 54 54 GLN HA H 1 3.40 0.01 . 1 . . . . . . . . 5547 1 244 . 1 1 54 54 GLN CA C 13 57.4 0.1 . 1 . . . . . . . . 5547 1 245 . 1 1 54 54 GLN CB C 13 26.8 0.1 . 1 . . . . . . . . 5547 1 246 . 1 1 54 54 GLN N N 15 112.0 0.1 . 1 . . . . . . . . 5547 1 247 . 1 1 55 55 ILE H H 1 7.22 0.01 . 1 . . . . . . . . 5547 1 248 . 1 1 55 55 ILE HA H 1 3.32 0.01 . 1 . . . . . . . . 5547 1 249 . 1 1 55 55 ILE CA C 13 63.2 0.1 . 1 . . . . . . . . 5547 1 250 . 1 1 55 55 ILE CB C 13 33.9 0.1 . 1 . . . . . . . . 5547 1 251 . 1 1 55 55 ILE N N 15 117.7 0.1 . 1 . . . . . . . . 5547 1 252 . 1 1 56 56 MET H H 1 8.54 0.01 . 1 . . . . . . . . 5547 1 253 . 1 1 56 56 MET HA H 1 3.59 0.01 . 1 . . . . . . . . 5547 1 254 . 1 1 56 56 MET CA C 13 56.2 0.1 . 1 . . . . . . . . 5547 1 255 . 1 1 56 56 MET N N 15 119.2 0.1 . 1 . . . . . . . . 5547 1 256 . 1 1 57 57 LYS H H 1 8.47 0.01 . 1 . . . . . . . . 5547 1 257 . 1 1 57 57 LYS HA H 1 4.25 0.01 . 1 . . . . . . . . 5547 1 258 . 1 1 57 57 LYS CA C 13 53.4 0.1 . 1 . . . . . . . . 5547 1 259 . 1 1 57 57 LYS CB C 13 25.7 0.1 . 1 . . . . . . . . 5547 1 260 . 1 1 57 57 LYS N N 15 117.0 0.1 . 1 . . . . . . . . 5547 1 261 . 1 1 58 58 TYR H H 1 7.68 0.01 . 1 . . . . . . . . 5547 1 262 . 1 1 58 58 TYR HA H 1 4.22 0.01 . 1 . . . . . . . . 5547 1 263 . 1 1 58 58 TYR CA C 13 52.2 0.1 . 1 . . . . . . . . 5547 1 264 . 1 1 58 58 TYR CB C 13 33.9 0.1 . 1 . . . . . . . . 5547 1 265 . 1 1 58 58 TYR N N 15 121.2 0.1 . 1 . . . . . . . . 5547 1 266 . 1 1 59 59 HIS H H 1 7.06 0.01 . 1 . . . . . . . . 5547 1 267 . 1 1 59 59 HIS HA H 1 4.11 0.01 . 1 . . . . . . . . 5547 1 268 . 1 1 59 59 HIS CA C 13 54.4 0.1 . 1 . . . . . . . . 5547 1 269 . 1 1 59 59 HIS CB C 13 28.0 0.1 . 1 . . . . . . . . 5547 1 270 . 1 1 59 59 HIS N N 15 113.5 0.1 . 1 . . . . . . . . 5547 1 271 . 1 1 60 60 ASN H H 1 7.92 0.01 . 1 . . . . . . . . 5547 1 272 . 1 1 60 60 ASN HA H 1 4.67 0.01 . 1 . . . . . . . . 5547 1 273 . 1 1 60 60 ASN CA C 13 54.2 0.1 . 1 . . . . . . . . 5547 1 274 . 1 1 60 60 ASN CB C 13 33.856 0.1 . 1 . . . . . . . . 5547 1 275 . 1 1 61 61 TYR H H 1 6.24 0.01 . 1 . . . . . . . . 5547 1 276 . 1 1 61 61 TYR HA H 1 4.43 0.01 . 1 . . . . . . . . 5547 1 277 . 1 1 61 61 TYR CA C 13 53.4 0.1 . 1 . . . . . . . . 5547 1 278 . 1 1 61 61 TYR CB C 13 35.0 0.1 . 1 . . . . . . . . 5547 1 279 . 1 1 61 61 TYR N N 15 116.2 0.1 . 1 . . . . . . . . 5547 1 280 . 1 1 62 62 PRO HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 281 . 1 1 62 62 PRO CA C 13 59.7 0.1 . 1 . . . . . . . . 5547 1 282 . 1 1 62 62 PRO CB C 13 30.3 0.1 . 1 . . . . . . . . 5547 1 283 . 1 1 63 63 ASN H H 1 8.55 0.01 . 1 . . . . . . . . 5547 1 284 . 1 1 63 63 ASN HA H 1 5.16 0.01 . 1 . . . . . . . . 5547 1 285 . 1 1 63 63 ASN CA C 13 52.9 0.1 . 1 . . . . . . . . 5547 1 286 . 1 1 63 63 ASN CB C 13 35.0 0.1 . 1 . . . . . . . . 5547 1 287 . 1 1 63 63 ASN N N 15 116.5 0.1 . 1 . . . . . . . . 5547 1 288 . 1 1 64 64 LYS H H 1 7.52 0.01 . 1 . . . . . . . . 5547 1 289 . 1 1 64 64 LYS HA H 1 5.19 0.01 . 1 . . . . . . . . 5547 1 290 . 1 1 64 64 LYS CA C 13 51.4 0.1 . 1 . . . . . . . . 5547 1 291 . 1 1 64 64 LYS CB C 13 31.5 0.1 . 1 . . . . . . . . 5547 1 292 . 1 1 64 64 LYS N N 15 117.0 0.1 . 1 . . . . . . . . 5547 1 293 . 1 1 65 65 GLY H H 1 7.82 0.01 . 1 . . . . . . . . 5547 1 294 . 1 1 65 65 GLY HA2 H 1 3.90 0.01 . 2 . . . . . . . . 5547 1 295 . 1 1 65 65 GLY HA3 H 1 4.22 0.01 . 2 . . . . . . . . 5547 1 296 . 1 1 65 65 GLY CA C 13 42.2 0.1 . 1 . . . . . . . . 5547 1 297 . 1 1 65 65 GLY N N 15 108.0 0.1 . 1 . . . . . . . . 5547 1 298 . 1 1 66 66 LEU H H 1 7.61 0.01 . 1 . . . . . . . . 5547 1 299 . 1 1 66 66 LEU HA H 1 4.55 0.01 . 1 . . . . . . . . 5547 1 300 . 1 1 66 66 LEU CA C 13 53.4 0.1 . 1 . . . . . . . . 5547 1 301 . 1 1 66 66 LEU CB C 13 39.7 0.1 . 1 . . . . . . . . 5547 1 302 . 1 1 66 66 LEU N N 15 115.0 0.1 . 1 . . . . . . . . 5547 1 303 . 1 1 67 67 LYS H H 1 6.86 0.01 . 1 . . . . . . . . 5547 1 304 . 1 1 67 67 LYS HA H 1 4.57 0.01 . 1 . . . . . . . . 5547 1 305 . 1 1 67 67 LYS CA C 13 53.2 0.1 . 1 . . . . . . . . 5547 1 306 . 1 1 67 67 LYS CB C 13 32.7 0.1 . 1 . . . . . . . . 5547 1 307 . 1 1 67 67 LYS N N 15 116.5 0.1 . 1 . . . . . . . . 5547 1 308 . 1 1 68 68 ASP H H 1 8.87 0.01 . 1 . . . . . . . . 5547 1 309 . 1 1 68 68 ASP HA H 1 4.57 0.01 . 1 . . . . . . . . 5547 1 310 . 1 1 68 68 ASP CA C 13 52.4 0.1 . 1 . . . . . . . . 5547 1 311 . 1 1 68 68 ASP CB C 13 38.5 0.1 . 1 . . . . . . . . 5547 1 312 . 1 1 68 68 ASP N N 15 126.4 0.1 . 1 . . . . . . . . 5547 1 313 . 1 1 69 69 TYR H H 1 8.11 0.01 . 1 . . . . . . . . 5547 1 314 . 1 1 69 69 TYR HA H 1 4.63 0.01 . 1 . . . . . . . . 5547 1 315 . 1 1 69 69 TYR CA C 13 56.1 0.1 . 1 . . . . . . . . 5547 1 316 . 1 1 69 69 TYR CB C 13 39.7 0.1 . 1 . . . . . . . . 5547 1 317 . 1 1 69 69 TYR N N 15 117.5 0.1 . 1 . . . . . . . . 5547 1 318 . 1 1 70 70 THR H H 1 6.76 0.01 . 1 . . . . . . . . 5547 1 319 . 1 1 70 70 THR HA H 1 5.39 0.01 . 1 . . . . . . . . 5547 1 320 . 1 1 70 70 THR CA C 13 56.2 0.1 . 1 . . . . . . . . 5547 1 321 . 1 1 70 70 THR CB C 13 67.7 0.1 . 1 . . . . . . . . 5547 1 322 . 1 1 70 70 THR N N 15 120.2 0.1 . 1 . . . . . . . . 5547 1 323 . 1 1 71 71 TYR H H 1 8.55 0.01 . 1 . . . . . . . . 5547 1 324 . 1 1 71 71 TYR HA H 1 4.75 0.01 . 1 . . . . . . . . 5547 1 325 . 1 1 71 71 TYR CA C 13 53.7 0.1 . 1 . . . . . . . . 5547 1 326 . 1 1 71 71 TYR CB C 13 36.2 0.1 . 1 . . . . . . . . 5547 1 327 . 1 1 71 71 TYR N N 15 122.2 0.1 . 1 . . . . . . . . 5547 1 328 . 1 1 72 72 THR H H 1 8.38 0.01 . 1 . . . . . . . . 5547 1 329 . 1 1 72 72 THR HA H 1 4.75 0.01 . 1 . . . . . . . . 5547 1 330 . 1 1 72 72 THR CA C 13 58.2 0.1 . 1 . . . . . . . . 5547 1 331 . 1 1 72 72 THR CB C 13 66.6 0.1 . 1 . . . . . . . . 5547 1 332 . 1 1 72 72 THR N N 15 117.0 0.1 . 1 . . . . . . . . 5547 1 333 . 1 1 73 73 LEU H H 1 8.23 0.01 . 1 . . . . . . . . 5547 1 334 . 1 1 73 73 LEU HA H 1 4.31 0.01 . 1 . . . . . . . . 5547 1 335 . 1 1 73 73 LEU CA C 13 52.7 0.1 . 1 . . . . . . . . 5547 1 336 . 1 1 73 73 LEU CB C 13 32.7 0.1 . 1 . . . . . . . . 5547 1 337 . 1 1 73 73 LEU N N 15 125.9 0.1 . 1 . . . . . . . . 5547 1 338 . 1 1 74 74 SER H H 1 9.96 0.01 . 1 . . . . . . . . 5547 1 339 . 1 1 74 74 SER HA H 1 4.31 0.01 . 1 . . . . . . . . 5547 1 340 . 1 1 74 74 SER CA C 13 55.7 0.1 . 1 . . . . . . . . 5547 1 341 . 1 1 74 74 SER CB C 13 60.8 0.1 . 1 . . . . . . . . 5547 1 342 . 1 1 74 74 SER N N 15 117.7 0.1 . 1 . . . . . . . . 5547 1 343 . 1 1 75 75 SER H H 1 8.50 0.01 . 1 . . . . . . . . 5547 1 344 . 1 1 75 75 SER HA H 1 4.28 0.01 . 1 . . . . . . . . 5547 1 345 . 1 1 75 75 SER CA C 13 56.9 0.1 . 1 . . . . . . . . 5547 1 346 . 1 1 75 75 SER CB C 13 59.6 0.1 . 1 . . . . . . . . 5547 1 347 . 1 1 75 75 SER N N 15 121.2 0.1 . 1 . . . . . . . . 5547 1 348 . 1 1 76 76 ASN H H 1 7.93 0.01 . 1 . . . . . . . . 5547 1 349 . 1 1 76 76 ASN HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 350 . 1 1 76 76 ASN CA C 13 50.4 0.1 . 1 . . . . . . . . 5547 1 351 . 1 1 76 76 ASN CB C 13 35.0 0.1 . 1 . . . . . . . . 5547 1 352 . 1 1 76 76 ASN N N 15 117.0 0.1 . 1 . . . . . . . . 5547 1 353 . 1 1 77 77 ASN H H 1 7.92 0.01 . 1 . . . . . . . . 5547 1 354 . 1 1 77 77 ASN HA H 1 5.07 0.01 . 1 . . . . . . . . 5547 1 355 . 1 1 77 77 ASN CA C 13 48.9 0.1 . 1 . . . . . . . . 5547 1 356 . 1 1 77 77 ASN CB C 13 36.2 0.1 . 1 . . . . . . . . 5547 1 357 . 1 1 77 77 ASN N N 15 123.0 0.1 . 1 . . . . . . . . 5547 1 358 . 1 1 78 78 PRO HA H 1 4.16 0.01 . 1 . . . . . . . . 5547 1 359 . 1 1 78 78 PRO CA C 13 60.7 0.1 . 1 . . . . . . . . 5547 1 360 . 1 1 78 78 PRO CB C 13 28.0 0.1 . 1 . . . . . . . . 5547 1 361 . 1 1 79 79 TYR H H 1 8.88 0.01 . 1 . . . . . . . . 5547 1 362 . 1 1 79 79 TYR HA H 1 4.16 0.01 . 1 . . . . . . . . 5547 1 363 . 1 1 79 79 TYR CA C 13 57.7 0.1 . 1 . . . . . . . . 5547 1 364 . 1 1 79 79 TYR CB C 13 35.0 0.1 . 1 . . . . . . . . 5547 1 365 . 1 1 79 79 TYR N N 15 115.7 0.1 . 1 . . . . . . . . 5547 1 366 . 1 1 80 80 PHE H H 1 6.8 0.1 . 1 . . . . . . . . 5547 1 367 . 1 1 80 80 PHE HA H 1 4.78 0.01 . 1 . . . . . . . . 5547 1 368 . 1 1 80 80 PHE CA C 13 53.7 0.1 . 1 . . . . . . . . 5547 1 369 . 1 1 80 80 PHE CB C 13 40.9 0.1 . 1 . . . . . . . . 5547 1 370 . 1 1 80 80 PHE N N 15 113.3 0.1 . 1 . . . . . . . . 5547 1 371 . 1 1 81 81 ASN H H 1 8.72 0.01 . 1 . . . . . . . . 5547 1 372 . 1 1 81 81 ASN HA H 1 4.49 0.01 . 1 . . . . . . . . 5547 1 373 . 1 1 81 81 ASN CA C 13 50.7 0.1 . 1 . . . . . . . . 5547 1 374 . 1 1 81 81 ASN CB C 13 35.0 0.1 . 1 . . . . . . . . 5547 1 375 . 1 1 81 81 ASN N N 15 118.0 0.1 . 1 . . . . . . . . 5547 1 376 . 1 1 82 82 HIS H H 1 8.30 0.01 . 1 . . . . . . . . 5547 1 377 . 1 1 82 82 HIS HA H 1 4.49 0.01 . 1 . . . . . . . . 5547 1 378 . 1 1 82 82 HIS CA C 13 52.4 0.1 . 1 . . . . . . . . 5547 1 379 . 1 1 82 82 HIS CB C 13 36.2 0.1 . 1 . . . . . . . . 5547 1 380 . 1 1 82 82 HIS N N 15 120.7 0.1 . 1 . . . . . . . . 5547 1 381 . 1 1 83 83 PRO HA H 1 4.75 0.01 . 1 . . . . . . . . 5547 1 382 . 1 1 83 83 PRO CA C 13 59.2 0.1 . 1 . . . . . . . . 5547 1 383 . 1 1 83 83 PRO CB C 13 30.3 0.1 . 1 . . . . . . . . 5547 1 384 . 1 1 84 84 LYS H H 1 9.80 0.01 . 1 . . . . . . . . 5547 1 385 . 1 1 84 84 LYS HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 386 . 1 1 84 84 LYS CA C 13 51.7 0.1 . 1 . . . . . . . . 5547 1 387 . 1 1 84 84 LYS CB C 13 29.2 0.1 . 1 . . . . . . . . 5547 1 388 . 1 1 84 84 LYS N N 15 126.4 0.1 . 1 . . . . . . . . 5547 1 389 . 1 1 85 85 ASN H H 1 8.68 0.01 . 1 . . . . . . . . 5547 1 390 . 1 1 85 85 ASN HA H 1 5.13 0.01 . 1 . . . . . . . . 5547 1 391 . 1 1 85 85 ASN CA C 13 49.2 0.1 . 1 . . . . . . . . 5547 1 392 . 1 1 85 85 ASN CB C 13 36.2 0.1 . 1 . . . . . . . . 5547 1 393 . 1 1 85 85 ASN N N 15 124.9 0.1 . 1 . . . . . . . . 5547 1 394 . 1 1 86 86 LEU H H 1 8.74 0.01 . 1 . . . . . . . . 5547 1 395 . 1 1 86 86 LEU HA H 1 4.84 0.01 . 1 . . . . . . . . 5547 1 396 . 1 1 86 86 LEU CA C 13 51.4 0.1 . 1 . . . . . . . . 5547 1 397 . 1 1 86 86 LEU CB C 13 39.7 0.1 . 1 . . . . . . . . 5547 1 398 . 1 1 86 86 LEU N N 15 124.2 0.1 . 1 . . . . . . . . 5547 1 399 . 1 1 87 87 PHE H H 1 8.66 0.01 . 1 . . . . . . . . 5547 1 400 . 1 1 87 87 PHE HA H 1 5.36 0.01 . 1 . . . . . . . . 5547 1 401 . 1 1 87 87 PHE CA C 13 53.4 0.1 . 1 . . . . . . . . 5547 1 402 . 1 1 87 87 PHE CB C 13 39.7 0.1 . 1 . . . . . . . . 5547 1 403 . 1 1 87 87 PHE N N 15 122.7 0.1 . 1 . . . . . . . . 5547 1 404 . 1 1 88 88 ALA H H 1 8.80 0.01 . 1 . . . . . . . . 5547 1 405 . 1 1 88 88 ALA HA H 1 4.54 0.01 . 1 . . . . . . . . 5547 1 406 . 1 1 88 88 ALA CA C 13 47.4 0.1 . 1 . . . . . . . . 5547 1 407 . 1 1 88 88 ALA CB C 13 17.5 0.1 . 1 . . . . . . . . 5547 1 408 . 1 1 88 88 ALA N N 15 128.7 0.1 . 1 . . . . . . . . 5547 1 409 . 1 1 89 89 ALA H H 1 8.39 0.01 . 1 . . . . . . . . 5547 1 410 . 1 1 89 89 ALA HA H 1 4.34 0.01 . 1 . . . . . . . . 5547 1 411 . 1 1 89 89 ALA CA C 13 47.7 0.1 . 1 . . . . . . . . 5547 1 412 . 1 1 89 89 ALA CB C 13 11.6 0.1 . 1 . . . . . . . . 5547 1 413 . 1 1 89 89 ALA N N 15 100.1 0.1 . 1 . . . . . . . . 5547 1 414 . 1 1 90 90 ILE H H 1 7.96 0.01 . 1 . . . . . . . . 5547 1 415 . 1 1 90 90 ILE HA H 1 4.37 0.01 . 1 . . . . . . . . 5547 1 416 . 1 1 90 90 ILE CA C 13 62.0 0.1 . 1 . . . . . . . . 5547 1 417 . 1 1 90 90 ILE CB C 13 35.0 0.1 . 1 . . . . . . . . 5547 1 418 . 1 1 90 90 ILE N N 15 123.9 0.1 . 1 . . . . . . . . 5547 1 419 . 1 1 91 91 SER H H 1 8.98 0.01 . 1 . . . . . . . . 5547 1 420 . 1 1 91 91 SER HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 421 . 1 1 91 91 SER CA C 13 58.7 0.1 . 1 . . . . . . . . 5547 1 422 . 1 1 91 91 SER CB C 13 59.6 0.1 . 1 . . . . . . . . 5547 1 423 . 1 1 91 91 SER N N 15 112.3 0.1 . 1 . . . . . . . . 5547 1 424 . 1 1 92 92 THR H H 1 7.50 0.01 . 1 . . . . . . . . 5547 1 425 . 1 1 92 92 THR HA H 1 4.48 0.01 . 1 . . . . . . . . 5547 1 426 . 1 1 92 92 THR CA C 13 57.9 0.1 . 1 . . . . . . . . 5547 1 427 . 1 1 92 92 THR CB C 13 66.6 0.1 . 1 . . . . . . . . 5547 1 428 . 1 1 92 92 THR N N 15 109.8 0.1 . 1 . . . . . . . . 5547 1 429 . 1 1 93 93 ARG H H 1 7.38 0.01 . 1 . . . . . . . . 5547 1 430 . 1 1 93 93 ARG HA H 1 3.81 0.01 . 1 . . . . . . . . 5547 1 431 . 1 1 93 93 ARG CA C 13 52.2 0.1 . 1 . . . . . . . . 5547 1 432 . 1 1 93 93 ARG CB C 13 25.7 0.1 . 1 . . . . . . . . 5547 1 433 . 1 1 93 93 ARG N N 15 123.2 0.1 . 1 . . . . . . . . 5547 1 434 . 1 1 94 94 GLN H H 1 8.36 0.01 . 1 . . . . . . . . 5547 1 435 . 1 1 94 94 GLN HA H 1 4.75 0.01 . 1 . . . . . . . . 5547 1 436 . 1 1 94 94 GLN CA C 13 51.4 0.1 . 1 . . . . . . . . 5547 1 437 . 1 1 94 94 GLN CB C 13 24.5 0.1 . 1 . . . . . . . . 5547 1 438 . 1 1 94 94 GLN N N 15 124.4 0.1 . 1 . . . . . . . . 5547 1 439 . 1 1 95 95 TYR H H 1 7.52 0.01 . 1 . . . . . . . . 5547 1 440 . 1 1 95 95 TYR HA H 1 4.11 0.01 . 1 . . . . . . . . 5547 1 441 . 1 1 95 95 TYR CA C 13 55.4 0.1 . 1 . . . . . . . . 5547 1 442 . 1 1 95 95 TYR CB C 13 33.9 0.1 . 1 . . . . . . . . 5547 1 443 . 1 1 95 95 TYR N N 15 124.2 0.1 . 1 . . . . . . . . 5547 1 444 . 1 1 96 96 ASN H H 1 9.06 0.01 . 1 . . . . . . . . 5547 1 445 . 1 1 96 96 ASN HA H 1 4.75 0.01 . 1 . . . . . . . . 5547 1 446 . 1 1 96 96 ASN CA C 13 47.9 0.1 . 1 . . . . . . . . 5547 1 447 . 1 1 96 96 ASN CB C 13 33.9 0.1 . 1 . . . . . . . . 5547 1 448 . 1 1 96 96 ASN N N 15 122.0 0.1 . 1 . . . . . . . . 5547 1 449 . 1 1 97 97 TRP H H 1 8.19 0.01 . 1 . . . . . . . . 5547 1 450 . 1 1 97 97 TRP HA H 1 4.02 0.01 . 1 . . . . . . . . 5547 1 451 . 1 1 97 97 TRP CA C 13 57.4 0.1 . 1 . . . . . . . . 5547 1 452 . 1 1 97 97 TRP CB C 13 24.5 0.1 . 1 . . . . . . . . 5547 1 453 . 1 1 97 97 TRP N N 15 124.9 0.1 . 1 . . . . . . . . 5547 1 454 . 1 1 98 98 ASN H H 1 8.18 0.01 . 1 . . . . . . . . 5547 1 455 . 1 1 98 98 ASN HA H 1 4.63 0.01 . 1 . . . . . . . . 5547 1 456 . 1 1 98 98 ASN CA C 13 52.2 0.1 . 1 . . . . . . . . 5547 1 457 . 1 1 98 98 ASN CB C 13 35.0 0.1 . 1 . . . . . . . . 5547 1 458 . 1 1 98 98 ASN N N 15 114.0 0.1 . 1 . . . . . . . . 5547 1 459 . 1 1 99 99 ASN H H 1 7.6 0.1 . 1 . . . . . . . . 5547 1 460 . 1 1 99 99 ASN HA H 1 4.7 0.1 . 1 . . . . . . . . 5547 1 461 . 1 1 99 99 ASN CA C 13 50.2 0.1 . 1 . . . . . . . . 5547 1 462 . 1 1 99 99 ASN CB C 13 35.0 0.1 . 1 . . . . . . . . 5547 1 463 . 1 1 99 99 ASN N N 15 116.5 0.1 . 1 . . . . . . . . 5547 1 464 . 1 1 100 100 ILE H H 1 6.8 0.1 . 1 . . . . . . . . 5547 1 465 . 1 1 100 100 ILE HA H 1 4.1 0.1 . 1 . . . . . . . . 5547 1 466 . 1 1 100 100 ILE CA C 13 57.9 0.1 . 1 . . . . . . . . 5547 1 467 . 1 1 100 100 ILE CB C 13 32.7 0.1 . 1 . . . . . . . . 5547 1 468 . 1 1 100 100 ILE N N 15 119.2 0.1 . 1 . . . . . . . . 5547 1 469 . 1 1 101 101 LEU H H 1 8.2 0.1 . 1 . . . . . . . . 5547 1 470 . 1 1 101 101 LEU HA H 1 4.1 0.1 . 1 . . . . . . . . 5547 1 471 . 1 1 101 101 LEU CA C 13 50.9 0.1 . 1 . . . . . . . . 5547 1 472 . 1 1 101 101 LEU CB C 13 36.2 0.1 . 1 . . . . . . . . 5547 1 473 . 1 1 101 101 LEU N N 15 123.2 0.1 . 1 . . . . . . . . 5547 1 474 . 1 1 102 102 PRO HA H 1 4.52 0.01 . 1 . . . . . . . . 5547 1 475 . 1 1 102 102 PRO CA C 13 62.0 0.1 . 1 . . . . . . . . 5547 1 476 . 1 1 102 102 PRO CB C 13 28.0 0.1 . 1 . . . . . . . . 5547 1 477 . 1 1 103 103 THR H H 1 6.86 0.01 . 1 . . . . . . . . 5547 1 478 . 1 1 103 103 THR HA H 1 4.52 0.01 . 1 . . . . . . . . 5547 1 479 . 1 1 103 103 THR CA C 13 59.7 0.1 . 1 . . . . . . . . 5547 1 480 . 1 1 103 103 THR CB C 13 65.5 0.1 . 1 . . . . . . . . 5547 1 481 . 1 1 103 103 THR N N 15 105.3 0.1 . 1 . . . . . . . . 5547 1 482 . 1 1 104 104 TYR H H 1 7.68 0.01 . 1 . . . . . . . . 5547 1 483 . 1 1 104 104 TYR HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 484 . 1 1 104 104 TYR CA C 13 54.4 0.1 . 1 . . . . . . . . 5547 1 485 . 1 1 104 104 TYR CB C 13 37.4 0.1 . 1 . . . . . . . . 5547 1 486 . 1 1 104 104 TYR N N 15 121.7 0.1 . 1 . . . . . . . . 5547 1 487 . 1 1 105 105 SER H H 1 11.71 0.01 . 1 . . . . . . . . 5547 1 488 . 1 1 105 105 SER HA H 1 4.78 0.01 . 1 . . . . . . . . 5547 1 489 . 1 1 105 105 SER CA C 13 56.9 0.1 . 1 . . . . . . . . 5547 1 490 . 1 1 105 105 SER CB C 13 62.0 0.1 . 1 . . . . . . . . 5547 1 491 . 1 1 105 105 SER N N 15 121.0 0.1 . 1 . . . . . . . . 5547 1 492 . 1 1 106 106 GLY H H 1 10.64 0.01 . 1 . . . . . . . . 5547 1 493 . 1 1 106 106 GLY HA2 H 1 4.78 0.01 . 1 . . . . . . . . 5547 1 494 . 1 1 106 106 GLY HA3 H 1 4.78 0.01 . 1 . . . . . . . . 5547 1 495 . 1 1 106 106 GLY CA C 13 42.7 0.1 . 1 . . . . . . . . 5547 1 496 . 1 1 106 106 GLY N N 15 113.3 0.1 . 1 . . . . . . . . 5547 1 497 . 1 1 107 107 ARG H H 1 7.87 0.01 . 1 . . . . . . . . 5547 1 498 . 1 1 107 107 ARG HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 499 . 1 1 107 107 ARG CA C 13 52.9 0.1 . 1 . . . . . . . . 5547 1 500 . 1 1 107 107 ARG CB C 13 25.7 0.1 . 1 . . . . . . . . 5547 1 501 . 1 1 107 107 ARG N N 15 119.0 0.1 . 1 . . . . . . . . 5547 1 502 . 1 1 108 108 GLU H H 1 8.24 0.01 . 1 . . . . . . . . 5547 1 503 . 1 1 108 108 GLU HA H 1 4.31 0.01 . 1 . . . . . . . . 5547 1 504 . 1 1 108 108 GLU CA C 13 54.9 0.1 . 1 . . . . . . . . 5547 1 505 . 1 1 108 108 GLU CB C 13 24.5 0.1 . 1 . . . . . . . . 5547 1 506 . 1 1 108 108 GLU N N 15 118.5 0.1 . 1 . . . . . . . . 5547 1 507 . 1 1 109 109 SER H H 1 8.37 0.01 . 1 . . . . . . . . 5547 1 508 . 1 1 109 109 SER HA H 1 4.49 0.01 . 1 . . . . . . . . 5547 1 509 . 1 1 109 109 SER CA C 13 54.4 0.1 . 1 . . . . . . . . 5547 1 510 . 1 1 109 109 SER CB C 13 62.0 0.1 . 1 . . . . . . . . 5547 1 511 . 1 1 109 109 SER N N 15 114.5 0.1 . 1 . . . . . . . . 5547 1 512 . 1 1 110 110 ASN H H 1 9.21 0.01 . 1 . . . . . . . . 5547 1 513 . 1 1 110 110 ASN HA H 1 4.52 0.01 . 1 . . . . . . . . 5547 1 514 . 1 1 110 110 ASN CA C 13 53.8 0.1 . 1 . . . . . . . . 5547 1 515 . 1 1 110 110 ASN CB C 13 33.9 0.1 . 1 . . . . . . . . 5547 1 516 . 1 1 110 110 ASN N N 15 119.5 0.1 . 1 . . . . . . . . 5547 1 517 . 1 1 111 111 VAL H H 1 8.16 0.01 . 1 . . . . . . . . 5547 1 518 . 1 1 111 111 VAL HA H 1 3.73 0.01 . 1 . . . . . . . . 5547 1 519 . 1 1 111 111 VAL CA C 13 63.5 0.1 . 1 . . . . . . . . 5547 1 520 . 1 1 111 111 VAL CB C 13 28.0 0.1 . 1 . . . . . . . . 5547 1 521 . 1 1 111 111 VAL N N 15 118.0 0.1 . 1 . . . . . . . . 5547 1 522 . 1 1 112 112 GLN H H 1 7.56 0.01 . 1 . . . . . . . . 5547 1 523 . 1 1 112 112 GLN HA H 1 4.58 0.01 . 1 . . . . . . . . 5547 1 524 . 1 1 112 112 GLN CA C 13 55.4 0.1 . 1 . . . . . . . . 5547 1 525 . 1 1 112 112 GLN CB C 13 23.3 0.1 . 1 . . . . . . . . 5547 1 526 . 1 1 112 112 GLN N N 15 119.5 0.1 . 1 . . . . . . . . 5547 1 527 . 1 1 113 113 LYS H H 1 8.88 0.01 . 1 . . . . . . . . 5547 1 528 . 1 1 113 113 LYS HA H 1 3.75 0.01 . 1 . . . . . . . . 5547 1 529 . 1 1 113 113 LYS CA C 13 57.4 0.1 . 1 . . . . . . . . 5547 1 530 . 1 1 113 113 LYS CB C 13 28.0 0.1 . 1 . . . . . . . . 5547 1 531 . 1 1 113 113 LYS N N 15 123.5 0.1 . 1 . . . . . . . . 5547 1 532 . 1 1 114 114 MET H H 1 8.80 0.01 . 1 . . . . . . . . 5547 1 533 . 1 1 114 114 MET HA H 1 3.75 0.01 . 1 . . . . . . . . 5547 1 534 . 1 1 114 114 MET CA C 13 53.9 0.1 . 1 . . . . . . . . 5547 1 535 . 1 1 114 114 MET CB C 13 26.8 0.1 . 1 . . . . . . . . 5547 1 536 . 1 1 114 114 MET N N 15 117.7 0.1 . 1 . . . . . . . . 5547 1 537 . 1 1 115 115 ALA H H 1 7.68 0.01 . 1 . . . . . . . . 5547 1 538 . 1 1 115 115 ALA HA H 1 4.22 0.01 . 1 . . . . . . . . 5547 1 539 . 1 1 115 115 ALA CA C 13 52.2 0.1 . 1 . . . . . . . . 5547 1 540 . 1 1 115 115 ALA CB C 13 13.9 0.1 . 1 . . . . . . . . 5547 1 541 . 1 1 115 115 ALA N N 15 121.2 0.1 . 1 . . . . . . . . 5547 1 542 . 1 1 116 116 ILE H H 1 7.16 0.01 . 1 . . . . . . . . 5547 1 543 . 1 1 116 116 ILE HA H 1 4.40 0.01 . 1 . . . . . . . . 5547 1 544 . 1 1 116 116 ILE CA C 13 56.7 0.1 . 1 . . . . . . . . 5547 1 545 . 1 1 116 116 ILE CB C 13 32.7 0.1 . 1 . . . . . . . . 5547 1 546 . 1 1 116 116 ILE N N 15 113.5 0.1 . 1 . . . . . . . . 5547 1 547 . 1 1 117 117 SER H H 1 7.79 0.01 . 1 . . . . . . . . 5547 1 548 . 1 1 117 117 SER HA H 1 4.28 0.01 . 1 . . . . . . . . 5547 1 549 . 1 1 117 117 SER CA C 13 58.5 0.1 . 1 . . . . . . . . 5547 1 550 . 1 1 117 117 SER CB C 13 58.5 0.1 . 1 . . . . . . . . 5547 1 551 . 1 1 117 117 SER N N 15 121.5 0.1 . 1 . . . . . . . . 5547 1 552 . 1 1 118 118 GLU H H 1 8.69 0.01 . 1 . . . . . . . . 5547 1 553 . 1 1 118 118 GLU HA H 1 3.93 0.01 . 1 . . . . . . . . 5547 1 554 . 1 1 118 118 GLU CA C 13 56.7 0.1 . 1 . . . . . . . . 5547 1 555 . 1 1 118 118 GLU CB C 13 26.8 0.1 . 1 . . . . . . . . 5547 1 556 . 1 1 118 118 GLU N N 15 125.9 0.1 . 1 . . . . . . . . 5547 1 557 . 1 1 119 119 LEU H H 1 7.07 0.01 . 1 . . . . . . . . 5547 1 558 . 1 1 119 119 LEU HA H 1 4.14 0.01 . 1 . . . . . . . . 5547 1 559 . 1 1 119 119 LEU CA C 13 55.9 0.1 . 1 . . . . . . . . 5547 1 560 . 1 1 119 119 LEU CB C 13 37.4 0.1 . 1 . . . . . . . . 5547 1 561 . 1 1 119 119 LEU N N 15 118.5 0.1 . 1 . . . . . . . . 5547 1 562 . 1 1 120 120 MET H H 1 8.65 0.01 . 1 . . . . . . . . 5547 1 563 . 1 1 120 120 MET HA H 1 4.29 0.01 . 1 . . . . . . . . 5547 1 564 . 1 1 120 120 MET CA C 13 54.9 0.1 . 1 . . . . . . . . 5547 1 565 . 1 1 120 120 MET CB C 13 29.4 0.1 . 1 . . . . . . . . 5547 1 566 . 1 1 120 120 MET N N 15 113.5 0.1 . 1 . . . . . . . . 5547 1 567 . 1 1 121 121 ALA H H 1 8.13 0.01 . 1 . . . . . . . . 5547 1 568 . 1 1 121 121 ALA HA H 1 4.34 0.01 . 1 . . . . . . . . 5547 1 569 . 1 1 121 121 ALA CA C 13 52.4 0.1 . 1 . . . . . . . . 5547 1 570 . 1 1 121 121 ALA CB C 13 13.9 0.1 . 1 . . . . . . . . 5547 1 571 . 1 1 121 121 ALA N N 15 124.4 0.1 . 1 . . . . . . . . 5547 1 572 . 1 1 122 122 ASP H H 1 8.20 0.01 . 1 . . . . . . . . 5547 1 573 . 1 1 122 122 ASP HA H 1 4.25 0.01 . 1 . . . . . . . . 5547 1 574 . 1 1 122 122 ASP CA C 13 54.9 0.1 . 1 . . . . . . . . 5547 1 575 . 1 1 122 122 ASP CB C 13 36.2 0.1 . 1 . . . . . . . . 5547 1 576 . 1 1 122 122 ASP N N 15 120.2 0.1 . 1 . . . . . . . . 5547 1 577 . 1 1 123 123 VAL H H 1 8.80 0.01 . 1 . . . . . . . . 5547 1 578 . 1 1 123 123 VAL HA H 1 3.64 0.01 . 1 . . . . . . . . 5547 1 579 . 1 1 123 123 VAL CA C 13 63.0 0.1 . 1 . . . . . . . . 5547 1 580 . 1 1 123 123 VAL CB C 13 27.9 0.1 . 1 . . . . . . . . 5547 1 581 . 1 1 123 123 VAL N N 15 117.0 0.1 . 1 . . . . . . . . 5547 1 582 . 1 1 124 124 GLY H H 1 8.2 0.1 . 1 . . . . . . . . 5547 1 583 . 1 1 124 124 GLY HA2 H 1 4.19 0.01 . 1 . . . . . . . . 5547 1 584 . 1 1 124 124 GLY HA3 H 1 4.19 0.01 . 1 . . . . . . . . 5547 1 585 . 1 1 124 124 GLY CA C 13 43.2 0.1 . 1 . . . . . . . . 5547 1 586 . 1 1 124 124 GLY N N 15 105.8 0.1 . 1 . . . . . . . . 5547 1 587 . 1 1 125 125 ILE H H 1 8.85 0.01 . 1 . . . . . . . . 5547 1 588 . 1 1 125 125 ILE HA H 1 4.25 0.01 . 1 . . . . . . . . 5547 1 589 . 1 1 125 125 ILE CA C 13 62.0 0.1 . 1 . . . . . . . . 5547 1 590 . 1 1 125 125 ILE CB C 13 34.0 0.1 . 1 . . . . . . . . 5547 1 591 . 1 1 125 125 ILE N N 15 123.3 0.1 . 1 . . . . . . . . 5547 1 592 . 1 1 126 126 SER H H 1 8.99 0.01 . 1 . . . . . . . . 5547 1 593 . 1 1 126 126 SER HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 594 . 1 1 126 126 SER CA C 13 58.7 0.1 . 1 . . . . . . . . 5547 1 595 . 1 1 126 126 SER CB C 13 59.6 0.1 . 1 . . . . . . . . 5547 1 596 . 1 1 126 126 SER N N 15 112.1 0.1 . 1 . . . . . . . . 5547 1 597 . 1 1 127 127 VAL H H 1 8.99 0.01 . 1 . . . . . . . . 5547 1 598 . 1 1 127 127 VAL HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 599 . 1 1 127 127 VAL CA C 13 63.2 0.1 . 1 . . . . . . . . 5547 1 600 . 1 1 127 127 VAL CB C 13 28.5 0.1 . 1 . . . . . . . . 5547 1 601 . 1 1 127 127 VAL N N 15 124.2 0.1 . 1 . . . . . . . . 5547 1 602 . 1 1 128 128 ASP H H 1 7.56 0.01 . 1 . . . . . . . . 5547 1 603 . 1 1 128 128 ASP HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 604 . 1 1 128 128 ASP CA C 13 50.7 0.1 . 1 . . . . . . . . 5547 1 605 . 1 1 128 128 ASP CB C 13 35.0 0.1 . 1 . . . . . . . . 5547 1 606 . 1 1 128 128 ASP N N 15 119.5 0.1 . 1 . . . . . . . . 5547 1 607 . 1 1 129 129 MET H H 1 7.02 0.01 . 1 . . . . . . . . 5547 1 608 . 1 1 129 129 MET HA H 1 3.81 0.01 . 1 . . . . . . . . 5547 1 609 . 1 1 129 129 MET CA C 13 53.2 0.1 . 1 . . . . . . . . 5547 1 610 . 1 1 129 129 MET CB C 13 25.7 0.1 . 1 . . . . . . . . 5547 1 611 . 1 1 129 129 MET N N 15 117.7 0.1 . 1 . . . . . . . . 5547 1 612 . 1 1 130 130 ASP H H 1 9.69 0.01 . 1 . . . . . . . . 5547 1 613 . 1 1 130 130 ASP HA H 1 5.19 0.01 . 1 . . . . . . . . 5547 1 614 . 1 1 130 130 ASP CA C 13 50.2 0.1 . 1 . . . . . . . . 5547 1 615 . 1 1 130 130 ASP CB C 13 36.2 0.1 . 1 . . . . . . . . 5547 1 616 . 1 1 130 130 ASP N N 15 129.4 0.1 . 1 . . . . . . . . 5547 1 617 . 1 1 131 131 TYR H H 1 6.38 0.01 . 1 . . . . . . . . 5547 1 618 . 1 1 131 131 TYR HA H 1 5.19 0.01 . 1 . . . . . . . . 5547 1 619 . 1 1 131 131 TYR CA C 13 58.2 0.1 . 1 . . . . . . . . 5547 1 620 . 1 1 131 131 TYR CB C 13 37.4 0.1 . 1 . . . . . . . . 5547 1 621 . 1 1 131 131 TYR N N 15 120.5 0.1 . 1 . . . . . . . . 5547 1 622 . 1 1 132 132 GLY H H 1 8.52 0.01 . 1 . . . . . . . . 5547 1 623 . 1 1 132 132 GLY HA2 H 1 3.43 0.01 . 2 . . . . . . . . 5547 1 624 . 1 1 132 132 GLY HA3 H 1 3.96 0.01 . 2 . . . . . . . . 5547 1 625 . 1 1 132 132 GLY CA C 13 43.4 0.1 . 1 . . . . . . . . 5547 1 626 . 1 1 132 132 GLY N N 15 107.8 0.1 . 1 . . . . . . . . 5547 1 627 . 1 1 133 133 PRO HA H 1 4.3 0.1 . 1 . . . . . . . . 5547 1 628 . 1 1 133 133 PRO CA C 13 62.0 0.1 . 1 . . . . . . . . 5547 1 629 . 1 1 133 133 PRO CB C 13 28.0 0.1 . 1 . . . . . . . . 5547 1 630 . 1 1 134 134 SER H H 1 7.76 0.01 . 1 . . . . . . . . 5547 1 631 . 1 1 134 134 SER HA H 1 4.84 0.01 . 1 . . . . . . . . 5547 1 632 . 1 1 134 134 SER CA C 13 62.5 0.1 . 1 . . . . . . . . 5547 1 633 . 1 1 134 134 SER CB C 13 62.0 0.1 . 1 . . . . . . . . 5547 1 634 . 1 1 134 134 SER N N 15 112.0 0.1 . 1 . . . . . . . . 5547 1 635 . 1 1 135 135 SER H H 1 6.885 0.01 . 1 . . . . . . . . 5547 1 636 . 1 1 135 135 SER HA H 1 4.515 0.01 . 1 . . . . . . . . 5547 1 637 . 1 1 135 135 SER CA C 13 58.5 0.1 . 1 . . . . . . . . 5547 1 638 . 1 1 135 135 SER CB C 13 65.5 0.1 . 1 . . . . . . . . 5547 1 639 . 1 1 135 135 SER N N 15 105.3 0.1 . 1 . . . . . . . . 5547 1 640 . 1 1 136 136 GLY H H 1 8.84 0.01 . 1 . . . . . . . . 5547 1 641 . 1 1 136 136 GLY HA2 H 1 4.28 0.01 . 2 . . . . . . . . 5547 1 642 . 1 1 136 136 GLY HA3 H 1 4.05 0.01 . 2 . . . . . . . . 5547 1 643 . 1 1 136 136 GLY CA C 13 42.1 0.1 . 1 . . . . . . . . 5547 1 644 . 1 1 136 136 GLY N N 15 112.5 0.1 . 1 . . . . . . . . 5547 1 645 . 1 1 138 138 ALA H H 1 8.96 0.01 . 1 . . . . . . . . 5547 1 646 . 1 1 138 138 ALA HA H 1 3.99 0.01 . 1 . . . . . . . . 5547 1 647 . 1 1 138 138 ALA CA C 13 51.4 0.1 . 1 . . . . . . . . 5547 1 648 . 1 1 138 138 ALA CB C 13 13.9 0.1 . 1 . . . . . . . . 5547 1 649 . 1 1 138 138 ALA N N 15 129.9 0.1 . 1 . . . . . . . . 5547 1 650 . 1 1 139 139 GLY H H 1 8.24 0.01 . 1 . . . . . . . . 5547 1 651 . 1 1 139 139 GLY HA2 H 1 3.17 0.01 . 1 . . . . . . . . 5547 1 652 . 1 1 139 139 GLY HA3 H 1 3.17 0.01 . 1 . . . . . . . . 5547 1 653 . 1 1 139 139 GLY CA C 13 43.2 0.1 . 1 . . . . . . . . 5547 1 654 . 1 1 139 139 GLY N N 15 104.1 0.1 . 1 . . . . . . . . 5547 1 655 . 1 1 140 140 SER H H 1 8.55 0.01 . 1 . . . . . . . . 5547 1 656 . 1 1 140 140 SER HA H 1 4.98 0.01 . 1 . . . . . . . . 5547 1 657 . 1 1 140 140 SER CA C 13 59.2 0.1 . 1 . . . . . . . . 5547 1 658 . 1 1 140 140 SER CB C 13 60.8 0.1 . 1 . . . . . . . . 5547 1 659 . 1 1 140 140 SER N N 15 123.9 0.1 . 1 . . . . . . . . 5547 1 660 . 1 1 141 141 SER H H 1 8.81 0.01 . 1 . . . . . . . . 5547 1 661 . 1 1 141 141 SER HA H 1 4.08 0.01 . 1 . . . . . . . . 5547 1 662 . 1 1 141 141 SER CA C 13 59.2 0.1 . 1 . . . . . . . . 5547 1 663 . 1 1 141 141 SER CB C 13 59.6 0.1 . 1 . . . . . . . . 5547 1 664 . 1 1 141 141 SER N N 15 116.0 0.1 . 1 . . . . . . . . 5547 1 665 . 1 1 142 142 ARG H H 1 7.79 0.01 . 1 . . . . . . . . 5547 1 666 . 1 1 142 142 ARG HA H 1 4.193 0.01 . 1 . . . . . . . . 5547 1 667 . 1 1 142 142 ARG CA C 13 52.7 0.1 . 1 . . . . . . . . 5547 1 668 . 1 1 142 142 ARG CB C 13 25.7 0.1 . 1 . . . . . . . . 5547 1 669 . 1 1 142 142 ARG N N 15 119.2 0.1 . 1 . . . . . . . . 5547 1 670 . 1 1 143 143 VAL H H 1 8.07 0.01 . 1 . . . . . . . . 5547 1 671 . 1 1 143 143 VAL HA H 1 4.22 0.01 . 1 . . . . . . . . 5547 1 672 . 1 1 143 143 VAL CA C 13 63.7 0.1 . 1 . . . . . . . . 5547 1 673 . 1 1 143 143 VAL CB C 13 28.0 0.1 . 1 . . . . . . . . 5547 1 674 . 1 1 143 143 VAL N N 15 121.2 0.1 . 1 . . . . . . . . 5547 1 675 . 1 1 144 144 GLN H H 1 8.05 0.01 . 1 . . . . . . . . 5547 1 676 . 1 1 144 144 GLN HA H 1 3.64 0.01 . 1 . . . . . . . . 5547 1 677 . 1 1 144 144 GLN CA C 13 55.4 0.1 . 1 . . . . . . . . 5547 1 678 . 1 1 144 144 GLN CB C 13 21.0 0.1 . 1 . . . . . . . . 5547 1 679 . 1 1 144 144 GLN N N 15 113.8 0.1 . 1 . . . . . . . . 5547 1 680 . 1 1 145 145 ARG H H 1 6.16 0.01 . 1 . . . . . . . . 5547 1 681 . 1 1 145 145 ARG HA H 1 3.87 0.01 . 1 . . . . . . . . 5547 1 682 . 1 1 145 145 ARG CA C 13 55.9 0.1 . 1 . . . . . . . . 5547 1 683 . 1 1 145 145 ARG CB C 13 25.7 0.1 . 1 . . . . . . . . 5547 1 684 . 1 1 145 145 ARG N N 15 118.0 0.1 . 1 . . . . . . . . 5547 1 685 . 1 1 146 146 ALA H H 1 8.55 0.01 . 1 . . . . . . . . 5547 1 686 . 1 1 146 146 ALA HA H 1 4.52 0.01 . 1 . . . . . . . . 5547 1 687 . 1 1 146 146 ALA CA C 13 51.7 0.1 . 1 . . . . . . . . 5547 1 688 . 1 1 146 146 ALA CB C 13 15.1 0.1 . 1 . . . . . . . . 5547 1 689 . 1 1 146 146 ALA N N 15 121.7 0.1 . 1 . . . . . . . . 5547 1 690 . 1 1 147 147 LEU H H 1 8.64 0.01 . 1 . . . . . . . . 5547 1 691 . 1 1 147 147 LEU HA H 1 4.16 0.01 . 1 . . . . . . . . 5547 1 692 . 1 1 147 147 LEU CA C 13 55.4 0.1 . 1 . . . . . . . . 5547 1 693 . 1 1 147 147 LEU CB C 13 37.4 0.1 . 1 . . . . . . . . 5547 1 694 . 1 1 147 147 LEU N N 15 114.3 0.1 . 1 . . . . . . . . 5547 1 695 . 1 1 148 148 LYS H H 1 6.91 0.01 . 1 . . . . . . . . 5547 1 696 . 1 1 148 148 LYS HA H 1 4.22 0.01 . 1 . . . . . . . . 5547 1 697 . 1 1 148 148 LYS CA C 13 57.4 0.1 . 1 . . . . . . . . 5547 1 698 . 1 1 148 148 LYS CB C 13 39.2 0.1 . 1 . . . . . . . . 5547 1 699 . 1 1 148 148 LYS N N 15 115.0 0.1 . 1 . . . . . . . . 5547 1 700 . 1 1 149 149 GLU H H 1 9.14 0.01 . 1 . . . . . . . . 5547 1 701 . 1 1 149 149 GLU HA H 1 4.05 0.01 . 1 . . . . . . . . 5547 1 702 . 1 1 149 149 GLU CA C 13 56.2 0.1 . 1 . . . . . . . . 5547 1 703 . 1 1 149 149 GLU CB C 13 26.8 0.1 . 1 . . . . . . . . 5547 1 704 . 1 1 149 149 GLU N N 15 117.0 0.1 . 1 . . . . . . . . 5547 1 705 . 1 1 150 150 ASN H H 1 8.12 0.01 . 1 . . . . . . . . 5547 1 706 . 1 1 150 150 ASN HA H 1 4.78 0.01 . 1 . . . . . . . . 5547 1 707 . 1 1 150 150 ASN CA C 13 53.9 0.1 . 1 . . . . . . . . 5547 1 708 . 1 1 150 150 ASN CB C 13 35.0 0.1 . 1 . . . . . . . . 5547 1 709 . 1 1 150 150 ASN N N 15 111.3 0.1 . 1 . . . . . . . . 5547 1 710 . 1 1 151 151 PHE H H 1 7.54 0.01 . 1 . . . . . . . . 5547 1 711 . 1 1 151 151 PHE HA H 1 4.14 0.01 . 1 . . . . . . . . 5547 1 712 . 1 1 151 151 PHE CA C 13 55.7 0.1 . 1 . . . . . . . . 5547 1 713 . 1 1 151 151 PHE CB C 13 36.2 0.1 . 1 . . . . . . . . 5547 1 714 . 1 1 151 151 PHE N N 15 112.5 0.1 . 1 . . . . . . . . 5547 1 715 . 1 1 152 152 GLY H H 1 6.96 0.01 . 1 . . . . . . . . 5547 1 716 . 1 1 152 152 GLY HA2 H 1 4.11 0.01 . 1 . . . . . . . . 5547 1 717 . 1 1 152 152 GLY HA3 H 1 4.11 0.01 . 1 . . . . . . . . 5547 1 718 . 1 1 152 152 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 5547 1 719 . 1 1 152 152 GLY N N 15 103.6 0.1 . 1 . . . . . . . . 5547 1 720 . 1 1 153 153 TYR H H 1 9.54 0.01 . 1 . . . . . . . . 5547 1 721 . 1 1 153 153 TYR HA H 1 4.22 0.01 . 1 . . . . . . . . 5547 1 722 . 1 1 153 153 TYR CA C 13 57.7 0.1 . 1 . . . . . . . . 5547 1 723 . 1 1 153 153 TYR CB C 13 35.0 0.1 . 1 . . . . . . . . 5547 1 724 . 1 1 153 153 TYR N N 15 121.5 0.1 . 1 . . . . . . . . 5547 1 725 . 1 1 154 154 ASN H H 1 8.06 0.01 . 1 . . . . . . . . 5547 1 726 . 1 1 154 154 ASN HA H 1 4.19 0.01 . 1 . . . . . . . . 5547 1 727 . 1 1 154 154 ASN CA C 13 52.7 0.1 . 1 . . . . . . . . 5547 1 728 . 1 1 154 154 ASN CB C 13 36.2 0.1 . 1 . . . . . . . . 5547 1 729 . 1 1 154 154 ASN N N 15 116.0 0.1 . 1 . . . . . . . . 5547 1 730 . 1 1 155 155 GLN H H 1 8.30 0.01 . 1 . . . . . . . . 5547 1 731 . 1 1 155 155 GLN HA H 1 4.02 0.01 . 1 . . . . . . . . 5547 1 732 . 1 1 155 155 GLN CA C 13 55.0 0.1 . 1 . . . . . . . . 5547 1 733 . 1 1 155 155 GLN CB C 13 24.5 0.1 . 1 . . . . . . . . 5547 1 734 . 1 1 155 155 GLN N N 15 120.7 0.1 . 1 . . . . . . . . 5547 1 735 . 1 1 156 156 SER H H 1 9.16 0.01 . 1 . . . . . . . . 5547 1 736 . 1 1 156 156 SER HA H 1 4.05 0.01 . 1 . . . . . . . . 5547 1 737 . 1 1 156 156 SER CA C 13 57.7 0.1 . 1 . . . . . . . . 5547 1 738 . 1 1 156 156 SER CB C 13 59.6 0.1 . 1 . . . . . . . . 5547 1 739 . 1 1 156 156 SER N N 15 114.7 0.1 . 1 . . . . . . . . 5547 1 740 . 1 1 157 157 VAL H H 1 8.00 0.01 . 1 . . . . . . . . 5547 1 741 . 1 1 157 157 VAL HA H 1 4.25 0.01 . 1 . . . . . . . . 5547 1 742 . 1 1 157 157 VAL CA C 13 60.7 0.1 . 1 . . . . . . . . 5547 1 743 . 1 1 157 157 VAL CB C 13 28.0 0.1 . 1 . . . . . . . . 5547 1 744 . 1 1 157 157 VAL N N 15 127.3 0.1 . 1 . . . . . . . . 5547 1 745 . 1 1 158 158 HIS H H 1 8.80 0.01 . 1 . . . . . . . . 5547 1 746 . 1 1 158 158 HIS HA H 1 4.87 0.01 . 1 . . . . . . . . 5547 1 747 . 1 1 158 158 HIS CA C 13 52.4 0.1 . 1 . . . . . . . . 5547 1 748 . 1 1 158 158 HIS CB C 13 25.7 0.1 . 1 . . . . . . . . 5547 1 749 . 1 1 158 158 HIS N N 15 120.0 0.1 . 1 . . . . . . . . 5547 1 750 . 1 1 159 159 GLN H H 1 8.66 0.01 . 1 . . . . . . . . 5547 1 751 . 1 1 159 159 GLN HA H 1 5.21 0.01 . 1 . . . . . . . . 5547 1 752 . 1 1 159 159 GLN CA C 13 51.2 0.1 . 1 . . . . . . . . 5547 1 753 . 1 1 159 159 GLN CB C 13 25.7 0.1 . 1 . . . . . . . . 5547 1 754 . 1 1 159 159 GLN N N 15 121.7 0.1 . 1 . . . . . . . . 5547 1 755 . 1 1 160 160 ILE H H 1 9.09 0.01 . 1 . . . . . . . . 5547 1 756 . 1 1 160 160 ILE HA H 1 4.84 0.01 . 1 . . . . . . . . 5547 1 757 . 1 1 160 160 ILE CA C 13 57.4 0.1 . 1 . . . . . . . . 5547 1 758 . 1 1 160 160 ILE CB C 13 38.5 0.1 . 1 . . . . . . . . 5547 1 759 . 1 1 160 160 ILE N N 15 118.2 0.1 . 1 . . . . . . . . 5547 1 760 . 1 1 161 161 ASN H H 1 9.53 0.01 . 1 . . . . . . . . 5547 1 761 . 1 1 161 161 ASN HA H 1 5.14 0.01 . 1 . . . . . . . . 5547 1 762 . 1 1 161 161 ASN CA C 13 49.7 0.1 . 1 . . . . . . . . 5547 1 763 . 1 1 161 161 ASN CB C 13 37.4 0.1 . 1 . . . . . . . . 5547 1 764 . 1 1 161 161 ASN N N 15 121.2 0.1 . 1 . . . . . . . . 5547 1 765 . 1 1 162 162 ARG H H 1 7.43 0.01 . 1 . . . . . . . . 5547 1 766 . 1 1 162 162 ARG HA H 1 5.13 0.01 . 1 . . . . . . . . 5547 1 767 . 1 1 162 162 ARG CA C 13 54.7 0.1 . 1 . . . . . . . . 5547 1 768 . 1 1 162 162 ARG CB C 13 25.7 0.1 . 1 . . . . . . . . 5547 1 769 . 1 1 162 162 ARG N N 15 125.4 0.1 . 1 . . . . . . . . 5547 1 770 . 1 1 163 163 GLY H H 1 8.44 0.01 . 1 . . . . . . . . 5547 1 771 . 1 1 163 163 GLY HA2 H 1 3.70 0.01 . 2 . . . . . . . . 5547 1 772 . 1 1 163 163 GLY HA3 H 1 3.96 0.01 . 2 . . . . . . . . 5547 1 773 . 1 1 163 163 GLY CA C 13 42.9 0.1 . 1 . . . . . . . . 5547 1 774 . 1 1 163 163 GLY N N 15 102.6 0.1 . 1 . . . . . . . . 5547 1 775 . 1 1 164 164 ASP H H 1 7.60 0.01 . 1 . . . . . . . . 5547 1 776 . 1 1 164 164 ASP HA H 1 4.60 0.01 . 1 . . . . . . . . 5547 1 777 . 1 1 164 164 ASP CA C 13 51.7 0.1 . 1 . . . . . . . . 5547 1 778 . 1 1 164 164 ASP CB C 13 37.4 0.1 . 1 . . . . . . . . 5547 1 779 . 1 1 164 164 ASP N N 15 117.5 0.1 . 1 . . . . . . . . 5547 1 780 . 1 1 165 165 PHE H H 1 7.72 0.01 . 1 . . . . . . . . 5547 1 781 . 1 1 165 165 PHE HA H 1 5.04 0.01 . 1 . . . . . . . . 5547 1 782 . 1 1 165 165 PHE CA C 13 54.2 0.1 . 1 . . . . . . . . 5547 1 783 . 1 1 165 165 PHE CB C 13 42.1 0.1 . 1 . . . . . . . . 5547 1 784 . 1 1 165 165 PHE N N 15 117.2 0.1 . 1 . . . . . . . . 5547 1 785 . 1 1 166 166 SER H H 1 9.24 0.01 . 1 . . . . . . . . 5547 1 786 . 1 1 166 166 SER HA H 1 4.63 0.01 . 1 . . . . . . . . 5547 1 787 . 1 1 166 166 SER CA C 13 54.4 0.1 . 1 . . . . . . . . 5547 1 788 . 1 1 166 166 SER CB C 13 60.8 0.1 . 1 . . . . . . . . 5547 1 789 . 1 1 166 166 SER N N 15 116.5 0.1 . 1 . . . . . . . . 5547 1 790 . 1 1 167 167 LYS H H 1 8.88 0.01 . 1 . . . . . . . . 5547 1 791 . 1 1 167 167 LYS HA H 1 4.69 0.01 . 1 . . . . . . . . 5547 1 792 . 1 1 167 167 LYS CA C 13 58.2 0.1 . 1 . . . . . . . . 5547 1 793 . 1 1 167 167 LYS CB C 13 29.2 0.1 . 1 . . . . . . . . 5547 1 794 . 1 1 167 167 LYS N N 15 122.5 0.1 . 1 . . . . . . . . 5547 1 795 . 1 1 168 168 GLN H H 1 8.69 0.01 . 1 . . . . . . . . 5547 1 796 . 1 1 168 168 GLN HA H 1 4.25 0.01 . 1 . . . . . . . . 5547 1 797 . 1 1 168 168 GLN CA C 13 56.2 0.1 . 1 . . . . . . . . 5547 1 798 . 1 1 168 168 GLN CB C 13 24.5 0.1 . 1 . . . . . . . . 5547 1 799 . 1 1 168 168 GLN N N 15 114.5 0.1 . 1 . . . . . . . . 5547 1 800 . 1 1 169 169 ASP H H 1 7.92 0.01 . 1 . . . . . . . . 5547 1 801 . 1 1 169 169 ASP HA H 1 4.69 0.01 . 1 . . . . . . . . 5547 1 802 . 1 1 169 169 ASP CA C 13 54.2 0.1 . 1 . . . . . . . . 5547 1 803 . 1 1 169 169 ASP CB C 13 36.2 0.1 . 1 . . . . . . . . 5547 1 804 . 1 1 169 169 ASP N N 15 120.5 0.1 . 1 . . . . . . . . 5547 1 805 . 1 1 170 170 TRP H H 1 9.00 0.01 . 1 . . . . . . . . 5547 1 806 . 1 1 170 170 TRP HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 807 . 1 1 170 170 TRP CA C 13 57.2 0.1 . 1 . . . . . . . . 5547 1 808 . 1 1 170 170 TRP CB C 13 26.8 0.1 . 1 . . . . . . . . 5547 1 809 . 1 1 170 170 TRP N N 15 123.0 0.1 . 1 . . . . . . . . 5547 1 810 . 1 1 171 171 GLU H H 1 8.26 0.01 . 1 . . . . . . . . 5547 1 811 . 1 1 171 171 GLU HA H 1 3.46 0.01 . 1 . . . . . . . . 5547 1 812 . 1 1 171 171 GLU CA C 13 57.2 0.1 . 1 . . . . . . . . 5547 1 813 . 1 1 171 171 GLU CB C 13 24.5 0.1 . 1 . . . . . . . . 5547 1 814 . 1 1 171 171 GLU N N 15 115.7 0.1 . 1 . . . . . . . . 5547 1 815 . 1 1 172 172 ALA H H 1 7.84 0.01 . 1 . . . . . . . . 5547 1 816 . 1 1 172 172 ALA HA H 1 4.16 0.01 . 1 . . . . . . . . 5547 1 817 . 1 1 172 172 ALA CA C 13 52.2 0.1 . 1 . . . . . . . . 5547 1 818 . 1 1 172 172 ALA CB C 13 13.9 0.1 . 1 . . . . . . . . 5547 1 819 . 1 1 172 172 ALA N N 15 117.7 0.1 . 1 . . . . . . . . 5547 1 820 . 1 1 173 173 GLN H H 1 7.52 0.01 . 1 . . . . . . . . 5547 1 821 . 1 1 173 173 GLN HA H 1 3.78 0.01 . 1 . . . . . . . . 5547 1 822 . 1 1 173 173 GLN CA C 13 55.7 0.1 . 1 . . . . . . . . 5547 1 823 . 1 1 173 173 GLN CB C 13 24.5 0.1 . 1 . . . . . . . . 5547 1 824 . 1 1 173 173 GLN N N 15 116.7 0.1 . 1 . . . . . . . . 5547 1 825 . 1 1 174 174 ILE H H 1 7.10 0.01 . 1 . . . . . . . . 5547 1 826 . 1 1 174 174 ILE HA H 1 3.29 0.01 . 1 . . . . . . . . 5547 1 827 . 1 1 174 174 ILE CA C 13 60.2 0.1 . 1 . . . . . . . . 5547 1 828 . 1 1 174 174 ILE CB C 13 31.5 0.1 . 1 . . . . . . . . 5547 1 829 . 1 1 174 174 ILE N N 15 119.2 0.1 . 1 . . . . . . . . 5547 1 830 . 1 1 175 175 ASP H H 1 8.934 0.01 . 1 . . . . . . . . 5547 1 831 . 1 1 175 175 ASP HA H 1 4.14 0.01 . 1 . . . . . . . . 5547 1 832 . 1 1 175 175 ASP CA C 13 54.9 0.1 . 1 . . . . . . . . 5547 1 833 . 1 1 175 175 ASP CB C 13 36.2 0.1 . 1 . . . . . . . . 5547 1 834 . 1 1 175 175 ASP N N 15 121.0 0.1 . 1 . . . . . . . . 5547 1 835 . 1 1 176 176 LYS H H 1 7.77 0.01 . 1 . . . . . . . . 5547 1 836 . 1 1 176 176 LYS HA H 1 3.93 0.01 . 1 . . . . . . . . 5547 1 837 . 1 1 176 176 LYS CA C 13 56.2 0.1 . 1 . . . . . . . . 5547 1 838 . 1 1 176 176 LYS CB C 13 28.0 0.1 . 1 . . . . . . . . 5547 1 839 . 1 1 176 176 LYS N N 15 118.2 0.1 . 1 . . . . . . . . 5547 1 840 . 1 1 177 177 GLU H H 1 7.19 0.01 . 1 . . . . . . . . 5547 1 841 . 1 1 177 177 GLU HA H 1 3.73 0.01 . 1 . . . . . . . . 5547 1 842 . 1 1 177 177 GLU CA C 13 56.2 0.1 . 1 . . . . . . . . 5547 1 843 . 1 1 177 177 GLU CB C 13 25.7 0.1 . 1 . . . . . . . . 5547 1 844 . 1 1 177 177 GLU N N 15 118.2 0.1 . 1 . . . . . . . . 5547 1 845 . 1 1 178 178 LEU H H 1 7.90 0.01 . 1 . . . . . . . . 5547 1 846 . 1 1 178 178 LEU HA H 1 3.70 0.01 . 1 . . . . . . . . 5547 1 847 . 1 1 178 178 LEU CA C 13 54.9 0.1 . 1 . . . . . . . . 5547 1 848 . 1 1 178 178 LEU CB C 13 37.4 0.1 . 1 . . . . . . . . 5547 1 849 . 1 1 178 178 LEU N N 15 117.7 0.1 . 1 . . . . . . . . 5547 1 850 . 1 1 179 179 SER H H 1 8.67 0.01 . 1 . . . . . . . . 5547 1 851 . 1 1 179 179 SER HA H 1 4.14 0.01 . 1 . . . . . . . . 5547 1 852 . 1 1 179 179 SER CA C 13 58.7 0.1 . 1 . . . . . . . . 5547 1 853 . 1 1 179 179 SER CB C 13 59.6 0.1 . 1 . . . . . . . . 5547 1 854 . 1 1 179 179 SER N N 15 115.2 0.1 . 1 . . . . . . . . 5547 1 855 . 1 1 180 180 GLN H H 1 7.26 0.01 . 1 . . . . . . . . 5547 1 856 . 1 1 180 180 GLN HA H 1 4.40 0.01 . 1 . . . . . . . . 5547 1 857 . 1 1 180 180 GLN CA C 13 51.9 0.1 . 1 . . . . . . . . 5547 1 858 . 1 1 180 180 GLN CB C 13 25.7 0.1 . 1 . . . . . . . . 5547 1 859 . 1 1 180 180 GLN N N 15 118.7 0.1 . 1 . . . . . . . . 5547 1 860 . 1 1 181 181 ASN H H 1 8.09 0.01 . 1 . . . . . . . . 5547 1 861 . 1 1 181 181 ASN HA H 1 4.19 0.01 . 1 . . . . . . . . 5547 1 862 . 1 1 181 181 ASN CA C 13 51.7 0.1 . 1 . . . . . . . . 5547 1 863 . 1 1 181 181 ASN CB C 13 32.7 0.1 . 1 . . . . . . . . 5547 1 864 . 1 1 181 181 ASN N N 15 113.0 0.1 . 1 . . . . . . . . 5547 1 865 . 1 1 182 182 GLN H H 1 7.84 0.01 . 1 . . . . . . . . 5547 1 866 . 1 1 182 182 GLN HA H 1 4.16 0.01 . 1 . . . . . . . . 5547 1 867 . 1 1 182 182 GLN CA C 13 49.9 0.1 . 1 . . . . . . . . 5547 1 868 . 1 1 182 182 GLN CB C 13 28.0 0.1 . 1 . . . . . . . . 5547 1 869 . 1 1 182 182 GLN N N 15 117.7 0.1 . 1 . . . . . . . . 5547 1 870 . 1 1 183 183 PRO HA H 1 4.08 0.01 . 1 . . . . . . . . 5547 1 871 . 1 1 183 183 PRO CA C 13 58.5 0.1 . 1 . . . . . . . . 5547 1 872 . 1 1 183 183 PRO CB C 13 29.2 0.1 . 1 . . . . . . . . 5547 1 873 . 1 1 184 184 VAL H H 1 8.35 0.01 . 1 . . . . . . . . 5547 1 874 . 1 1 184 184 VAL HA H 1 4.08 0.01 . 1 . . . . . . . . 5547 1 875 . 1 1 184 184 VAL CA C 13 59.2 0.1 . 1 . . . . . . . . 5547 1 876 . 1 1 184 184 VAL CB C 13 28.0 0.1 . 1 . . . . . . . . 5547 1 877 . 1 1 184 184 VAL N N 15 121.2 0.1 . 1 . . . . . . . . 5547 1 878 . 1 1 185 185 TYR H H 1 7.27 0.01 . 1 . . . . . . . . 5547 1 879 . 1 1 185 185 TYR HA H 1 4.11 0.01 . 1 . . . . . . . . 5547 1 880 . 1 1 185 185 TYR CA C 13 55.7 0.1 . 1 . . . . . . . . 5547 1 881 . 1 1 185 185 TYR CB C 13 35.1 0.1 . 1 . . . . . . . . 5547 1 882 . 1 1 185 185 TYR N N 15 128.2 0.1 . 1 . . . . . . . . 5547 1 883 . 1 1 186 186 TYR H H 1 8.20 0.01 . 1 . . . . . . . . 5547 1 884 . 1 1 186 186 TYR HA H 1 4.77 0.01 . 1 . . . . . . . . 5547 1 885 . 1 1 186 186 TYR CA C 13 52.6 0.1 . 1 . . . . . . . . 5547 1 886 . 1 1 186 186 TYR CB C 13 35.1 0.1 . 1 . . . . . . . . 5547 1 887 . 1 1 186 186 TYR N N 15 103.6 0.1 . 1 . . . . . . . . 5547 1 888 . 1 1 187 187 GLN H H 1 8.20 0.01 . 1 . . . . . . . . 5547 1 889 . 1 1 187 187 GLN HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 890 . 1 1 187 187 GLN CA C 13 51.4 0.1 . 1 . . . . . . . . 5547 1 891 . 1 1 187 187 GLN CB C 13 37.5 0.1 . 1 . . . . . . . . 5547 1 892 . 1 1 187 187 GLN N N 15 117.2 0.1 . 1 . . . . . . . . 5547 1 893 . 1 1 188 188 GLY H H 1 8.04 0.01 . 1 . . . . . . . . 5547 1 894 . 1 1 188 188 GLY HA2 H 1 4.81 0.01 . 1 . . . . . . . . 5547 1 895 . 1 1 188 188 GLY HA3 H 1 4.81 0.01 . 1 . . . . . . . . 5547 1 896 . 1 1 188 188 GLY CA C 13 42.4 0.1 . 1 . . . . . . . . 5547 1 897 . 1 1 188 188 GLY N N 15 101.6 0.1 . 1 . . . . . . . . 5547 1 898 . 1 1 189 189 VAL H H 1 9.35 0.01 . 1 . . . . . . . . 5547 1 899 . 1 1 189 189 VAL HA H 1 4.84 0.01 . 1 . . . . . . . . 5547 1 900 . 1 1 189 189 VAL CA C 13 59.9 0.1 . 1 . . . . . . . . 5547 1 901 . 1 1 189 189 VAL CB C 13 31.5 0.1 . 1 . . . . . . . . 5547 1 902 . 1 1 189 189 VAL N N 15 118.7 0.1 . 1 . . . . . . . . 5547 1 903 . 1 1 190 190 GLY H H 1 8.46 0.01 . 1 . . . . . . . . 5547 1 904 . 1 1 190 190 GLY HA2 H 1 4.02 0.01 . 1 . . . . . . . . 5547 1 905 . 1 1 190 190 GLY HA3 H 1 4.02 0.01 . 1 . . . . . . . . 5547 1 906 . 1 1 190 190 GLY CA C 13 42.2 0.1 . 1 . . . . . . . . 5547 1 907 . 1 1 190 190 GLY N N 15 116.5 0.1 . 1 . . . . . . . . 5547 1 908 . 1 1 191 191 LYS H H 1 8.77 0.01 . 1 . . . . . . . . 5547 1 909 . 1 1 191 191 LYS HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 910 . 1 1 191 191 LYS CA C 13 56.2 0.1 . 1 . . . . . . . . 5547 1 911 . 1 1 191 191 LYS CB C 13 29.5 0.1 . 1 . . . . . . . . 5547 1 912 . 1 1 191 191 LYS N N 15 121.5 0.1 . 1 . . . . . . . . 5547 1 913 . 1 1 192 192 VAL H H 1 7.95 0.01 . 1 . . . . . . . . 5547 1 914 . 1 1 192 192 VAL HA H 1 4.37 0.01 . 1 . . . . . . . . 5547 1 915 . 1 1 192 192 VAL CA C 13 58.4 0.1 . 1 . . . . . . . . 5547 1 916 . 1 1 192 192 VAL CB C 13 28.0 0.1 . 1 . . . . . . . . 5547 1 917 . 1 1 192 192 VAL N N 15 112.3 0.1 . 1 . . . . . . . . 5547 1 918 . 1 1 193 193 GLY H H 1 7.80 0.01 . 1 . . . . . . . . 5547 1 919 . 1 1 193 193 GLY HA2 H 1 3.93 0.01 . 1 . . . . . . . . 5547 1 920 . 1 1 193 193 GLY HA3 H 1 3.93 0.01 . 1 . . . . . . . . 5547 1 921 . 1 1 193 193 GLY CA C 13 41.9 0.1 . 1 . . . . . . . . 5547 1 922 . 1 1 193 193 GLY N N 15 109.3 0.1 . 1 . . . . . . . . 5547 1 923 . 1 1 194 194 GLY H H 1 8.90 0.01 . 1 . . . . . . . . 5547 1 924 . 1 1 194 194 GLY HA2 H 1 3.90 0.01 . 1 . . . . . . . . 5547 1 925 . 1 1 194 194 GLY HA3 H 1 3.90 0.01 . 1 . . . . . . . . 5547 1 926 . 1 1 194 194 GLY CA C 13 42.4 0.1 . 1 . . . . . . . . 5547 1 927 . 1 1 194 194 GLY N N 15 107.5 0.1 . 1 . . . . . . . . 5547 1 928 . 1 1 195 195 HIS H H 1 8.41 0.01 . 1 . . . . . . . . 5547 1 929 . 1 1 195 195 HIS HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 930 . 1 1 195 195 HIS CA C 13 53.9 0.1 . 1 . . . . . . . . 5547 1 931 . 1 1 195 195 HIS CB C 13 35.0 0.1 . 1 . . . . . . . . 5547 1 932 . 1 1 195 195 HIS N N 15 120.0 0.1 . 1 . . . . . . . . 5547 1 933 . 1 1 196 196 ALA H H 1 6.87 0.01 . 1 . . . . . . . . 5547 1 934 . 1 1 196 196 ALA HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 935 . 1 1 196 196 ALA CA C 13 46.9 0.1 . 1 . . . . . . . . 5547 1 936 . 1 1 196 196 ALA CB C 13 18.6 0.1 . 1 . . . . . . . . 5547 1 937 . 1 1 196 196 ALA N N 15 125.4 0.1 . 1 . . . . . . . . 5547 1 938 . 1 1 197 197 PHE H H 1 8.36 0.01 . 1 . . . . . . . . 5547 1 939 . 1 1 197 197 PHE HA H 1 4.66 0.01 . 1 . . . . . . . . 5547 1 940 . 1 1 197 197 PHE CA C 13 52.7 0.1 . 1 . . . . . . . . 5547 1 941 . 1 1 197 197 PHE CB C 13 35.0 0.1 . 1 . . . . . . . . 5547 1 942 . 1 1 197 197 PHE N N 15 115.7 0.1 . 1 . . . . . . . . 5547 1 943 . 1 1 198 198 VAL H H 1 7.58 0.01 . 1 . . . . . . . . 5547 1 944 . 1 1 198 198 VAL HA H 1 4.18 0.01 . 1 . . . . . . . . 5547 1 945 . 1 1 198 198 VAL CA C 13 57.2 0.1 . 1 . . . . . . . . 5547 1 946 . 1 1 198 198 VAL CB C 13 32.7 0.1 . 1 . . . . . . . . 5547 1 947 . 1 1 198 198 VAL N N 15 115.2 0.1 . 1 . . . . . . . . 5547 1 948 . 1 1 199 199 ILE H H 1 8.68 0.01 . 1 . . . . . . . . 5547 1 949 . 1 1 199 199 ILE HA H 1 4.84 0.01 . 1 . . . . . . . . 5547 1 950 . 1 1 199 199 ILE CA C 13 56.2 0.1 . 1 . . . . . . . . 5547 1 951 . 1 1 199 199 ILE CB C 13 33.9 0.1 . 1 . . . . . . . . 5547 1 952 . 1 1 199 199 ILE N N 15 125.2 0.1 . 1 . . . . . . . . 5547 1 953 . 1 1 200 200 ASP H H 1 9.13 0.01 . 1 . . . . . . . . 5547 1 954 . 1 1 200 200 ASP HA H 1 4.66 0.01 . 1 . . . . . . . . 5547 1 955 . 1 1 200 200 ASP CA C 13 49.7 0.1 . 1 . . . . . . . . 5547 1 956 . 1 1 200 200 ASP CB C 13 38.5 0.1 . 1 . . . . . . . . 5547 1 957 . 1 1 200 200 ASP N N 15 124.9 0.1 . 1 . . . . . . . . 5547 1 958 . 1 1 201 201 GLY H H 1 7.62 0.01 . 1 . . . . . . . . 5547 1 959 . 1 1 201 201 GLY HA2 H 1 3.99 0.01 . 1 . . . . . . . . 5547 1 960 . 1 1 201 201 GLY HA3 H 1 3.99 0.01 . 1 . . . . . . . . 5547 1 961 . 1 1 201 201 GLY CA C 13 42.9 0.1 . 1 . . . . . . . . 5547 1 962 . 1 1 201 201 GLY N N 15 104.1 0.1 . 1 . . . . . . . . 5547 1 963 . 1 1 202 202 ALA H H 1 9.94 0.01 . 1 . . . . . . . . 5547 1 964 . 1 1 202 202 ALA HA H 1 5.23 0.01 . 1 . . . . . . . . 5547 1 965 . 1 1 202 202 ALA CA C 13 49.9 0.1 . 1 . . . . . . . . 5547 1 966 . 1 1 202 202 ALA CB C 13 18.6 0.1 . 1 . . . . . . . . 5547 1 967 . 1 1 202 202 ALA N N 15 124.4 0.1 . 1 . . . . . . . . 5547 1 968 . 1 1 203 203 ASP H H 1 8.24 0.01 . 1 . . . . . . . . 5547 1 969 . 1 1 203 203 ASP HA H 1 4.57 0.01 . 1 . . . . . . . . 5547 1 970 . 1 1 203 203 ASP CA C 13 50.4 0.1 . 1 . . . . . . . . 5547 1 971 . 1 1 203 203 ASP CB C 13 37.4 0.1 . 1 . . . . . . . . 5547 1 972 . 1 1 203 203 ASP N N 15 118.5 0.1 . 1 . . . . . . . . 5547 1 973 . 1 1 204 204 GLY H H 1 7.54 0.01 . 1 . . . . . . . . 5547 1 974 . 1 1 204 204 GLY HA2 H 1 4.05 0.01 . 1 . . . . . . . . 5547 1 975 . 1 1 204 204 GLY HA3 H 1 4.05 0.01 . 1 . . . . . . . . 5547 1 976 . 1 1 204 204 GLY CA C 13 43.2 0.1 . 1 . . . . . . . . 5547 1 977 . 1 1 204 204 GLY N N 15 110.0 0.1 . 1 . . . . . . . . 5547 1 978 . 1 1 205 205 ARG H H 1 9.06 0.01 . 1 . . . . . . . . 5547 1 979 . 1 1 205 205 ARG HA H 1 4.52 0.01 . 1 . . . . . . . . 5547 1 980 . 1 1 205 205 ARG CA C 13 51.9 0.1 . 1 . . . . . . . . 5547 1 981 . 1 1 205 205 ARG CB C 13 25.7 0.1 . 1 . . . . . . . . 5547 1 982 . 1 1 205 205 ARG N N 15 122.5 0.1 . 1 . . . . . . . . 5547 1 983 . 1 1 206 206 ASN H H 1 8.44 0.01 . 1 . . . . . . . . 5547 1 984 . 1 1 206 206 ASN HA H 1 3.84 0.01 . 1 . . . . . . . . 5547 1 985 . 1 1 206 206 ASN CA C 13 53.4 0.1 . 1 . . . . . . . . 5547 1 986 . 1 1 206 206 ASN CB C 13 33.9 0.1 . 1 . . . . . . . . 5547 1 987 . 1 1 206 206 ASN N N 15 111.0 0.1 . 1 . . . . . . . . 5547 1 988 . 1 1 207 207 PHE H H 1 8.16 0.01 . 1 . . . . . . . . 5547 1 989 . 1 1 207 207 PHE HA H 1 4.75 0.01 . 1 . . . . . . . . 5547 1 990 . 1 1 207 207 PHE CA C 13 54.2 0.1 . 1 . . . . . . . . 5547 1 991 . 1 1 207 207 PHE CB C 13 37.4 0.1 . 1 . . . . . . . . 5547 1 992 . 1 1 207 207 PHE N N 15 115.7 0.1 . 1 . . . . . . . . 5547 1 993 . 1 1 208 208 TYR H H 1 9.96 0.01 . 1 . . . . . . . . 5547 1 994 . 1 1 208 208 TYR HA H 1 5.19 0.01 . 1 . . . . . . . . 5547 1 995 . 1 1 208 208 TYR CA C 13 54.7 0.1 . 1 . . . . . . . . 5547 1 996 . 1 1 208 208 TYR CB C 13 37.3 0.1 . 1 . . . . . . . . 5547 1 997 . 1 1 208 208 TYR N N 15 119.0 0.1 . 1 . . . . . . . . 5547 1 998 . 1 1 209 209 HIS H H 1 8.25 0.01 . 1 . . . . . . . . 5547 1 999 . 1 1 209 209 HIS HA H 1 3.84 0.01 . 1 . . . . . . . . 5547 1 1000 . 1 1 209 209 HIS CA C 13 48.9 0.1 . 1 . . . . . . . . 5547 1 1001 . 1 1 209 209 HIS CB C 13 23.4 0.1 . 1 . . . . . . . . 5547 1 1002 . 1 1 209 209 HIS N N 15 122.0 0.1 . 1 . . . . . . . . 5547 1 1003 . 1 1 210 210 VAL H H 1 8.07 0.01 . 1 . . . . . . . . 5547 1 1004 . 1 1 210 210 VAL HA H 1 3.99 0.01 . 1 . . . . . . . . 5547 1 1005 . 1 1 210 210 VAL CA C 13 57.7 0.1 . 1 . . . . . . . . 5547 1 1006 . 1 1 210 210 VAL CB C 13 32.7 0.1 . 1 . . . . . . . . 5547 1 1007 . 1 1 210 210 VAL N N 15 126.2 0.1 . 1 . . . . . . . . 5547 1 1008 . 1 1 211 211 ASN H H 1 8.46 0.01 . 1 . . . . . . . . 5547 1 1009 . 1 1 211 211 ASN HA H 1 5.28 0.01 . 1 . . . . . . . . 5547 1 1010 . 1 1 211 211 ASN CA C 13 53.2 0.1 . 1 . . . . . . . . 5547 1 1011 . 1 1 211 211 ASN CB C 13 37.3 0.1 . 1 . . . . . . . . 5547 1 1012 . 1 1 211 211 ASN N N 15 116.0 0.1 . 1 . . . . . . . . 5547 1 1013 . 1 1 212 212 TRP H H 1 8.53 0.01 . 1 . . . . . . . . 5547 1 1014 . 1 1 212 212 TRP HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 1015 . 1 1 212 212 TRP CA C 13 51.2 0.1 . 1 . . . . . . . . 5547 1 1016 . 1 1 212 212 TRP CB C 13 28.0 0.1 . 1 . . . . . . . . 5547 1 1017 . 1 1 212 212 TRP N N 15 126.4 0.1 . 1 . . . . . . . . 5547 1 1018 . 1 1 213 213 GLY H H 1 8.04 0.01 . 1 . . . . . . . . 5547 1 1019 . 1 1 213 213 GLY HA2 H 1 4.36 0.01 . 1 . . . . . . . . 5547 1 1020 . 1 1 213 213 GLY HA3 H 1 4.36 0.01 . 1 . . . . . . . . 5547 1 1021 . 1 1 213 213 GLY CA C 13 42.4 0.1 . 1 . . . . . . . . 5547 1 1022 . 1 1 213 213 GLY N N 15 101.6 0.1 . 1 . . . . . . . . 5547 1 1023 . 1 1 214 214 TRP H H 1 8.81 0.01 . 1 . . . . . . . . 5547 1 1024 . 1 1 214 214 TRP HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 1025 . 1 1 214 214 TRP CA C 13 50.7 0.1 . 1 . . . . . . . . 5547 1 1026 . 1 1 214 214 TRP CB C 13 24.5 0.1 . 1 . . . . . . . . 5547 1 1027 . 1 1 214 214 TRP N N 15 120.3 0.1 . 1 . . . . . . . . 5547 1 1028 . 1 1 215 215 GLY H H 1 8.31 0.01 . 1 . . . . . . . . 5547 1 1029 . 1 1 215 215 GLY HA2 H 1 3.87 0.01 . 1 . . . . . . . . 5547 1 1030 . 1 1 215 215 GLY HA3 H 1 3.87 0.01 . 1 . . . . . . . . 5547 1 1031 . 1 1 215 215 GLY CA C 13 43.4 0.1 . 1 . . . . . . . . 5547 1 1032 . 1 1 215 215 GLY N N 15 108.0 0.1 . 1 . . . . . . . . 5547 1 1033 . 1 1 216 216 GLY H H 1 8.63 0.01 . 1 . . . . . . . . 5547 1 1034 . 1 1 216 216 GLY HA2 H 1 3.90 0.01 . 1 . . . . . . . . 5547 1 1035 . 1 1 216 216 GLY HA3 H 1 3.90 0.01 . 1 . . . . . . . . 5547 1 1036 . 1 1 216 216 GLY CA C 13 41.9 0.1 . 1 . . . . . . . . 5547 1 1037 . 1 1 216 216 GLY N N 15 111.5 0.1 . 1 . . . . . . . . 5547 1 1038 . 1 1 217 217 VAL H H 1 7.18 0.01 . 1 . . . . . . . . 5547 1 1039 . 1 1 217 217 VAL HA H 1 3.84 0.01 . 1 . . . . . . . . 5547 1 1040 . 1 1 217 217 VAL CA C 13 62.5 0.1 . 1 . . . . . . . . 5547 1 1041 . 1 1 217 217 VAL CB C 13 28.0 0.1 . 1 . . . . . . . . 5547 1 1042 . 1 1 217 217 VAL N N 15 122.7 0.1 . 1 . . . . . . . . 5547 1 1043 . 1 1 218 218 SER H H 1 8.93 0.01 . 1 . . . . . . . . 5547 1 1044 . 1 1 218 218 SER HA H 1 4.19 0.01 . 1 . . . . . . . . 5547 1 1045 . 1 1 218 218 SER CA C 13 59.4 0.1 . 1 . . . . . . . . 5547 1 1046 . 1 1 218 218 SER CB C 13 62.0 0.1 . 1 . . . . . . . . 5547 1 1047 . 1 1 218 218 SER N N 15 114.7 0.1 . 1 . . . . . . . . 5547 1 1048 . 1 1 219 219 ASP H H 1 7.99 0.01 . 1 . . . . . . . . 5547 1 1049 . 1 1 219 219 ASP HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 1050 . 1 1 219 219 ASP CA C 13 53.9 0.1 . 1 . . . . . . . . 5547 1 1051 . 1 1 219 219 ASP CB C 13 36.2 0.1 . 1 . . . . . . . . 5547 1 1052 . 1 1 219 219 ASP N N 15 126.4 0.1 . 1 . . . . . . . . 5547 1 1053 . 1 1 220 220 GLY H H 1 7.37 0.01 . 1 . . . . . . . . 5547 1 1054 . 1 1 220 220 GLY HA2 H 1 3.87 0.01 . 1 . . . . . . . . 5547 1 1055 . 1 1 220 220 GLY HA3 H 1 3.87 0.01 . 1 . . . . . . . . 5547 1 1056 . 1 1 220 220 GLY CA C 13 42.9 0.1 . 1 . . . . . . . . 5547 1 1057 . 1 1 220 220 GLY N N 15 104.3 0.1 . 1 . . . . . . . . 5547 1 1058 . 1 1 221 221 PHE H H 1 8.71 0.01 . 1 . . . . . . . . 5547 1 1059 . 1 1 221 221 PHE HA H 1 5.22 0.01 . 1 . . . . . . . . 5547 1 1060 . 1 1 221 221 PHE CA C 13 55.4 0.1 . 1 . . . . . . . . 5547 1 1061 . 1 1 221 221 PHE CB C 13 36.2 0.1 . 1 . . . . . . . . 5547 1 1062 . 1 1 221 221 PHE N N 15 119.5 0.1 . 1 . . . . . . . . 5547 1 1063 . 1 1 222 222 PHE H H 1 9.93 0.01 . 1 . . . . . . . . 5547 1 1064 . 1 1 222 222 PHE HA H 1 5.01 0.01 . 1 . . . . . . . . 5547 1 1065 . 1 1 222 222 PHE CA C 13 54.7 0.1 . 1 . . . . . . . . 5547 1 1066 . 1 1 222 222 PHE CB C 13 33.3 0.1 . 1 . . . . . . . . 5547 1 1067 . 1 1 222 222 PHE N N 15 120.7 0.1 . 1 . . . . . . . . 5547 1 1068 . 1 1 223 223 ARG H H 1 9.02 0.01 . 1 . . . . . . . . 5547 1 1069 . 1 1 223 223 ARG HA H 1 4.68 0.01 . 1 . . . . . . . . 5547 1 1070 . 1 1 223 223 ARG CA C 13 52.7 0.1 . 1 . . . . . . . . 5547 1 1071 . 1 1 223 223 ARG CB C 13 28.0 0.1 . 1 . . . . . . . . 5547 1 1072 . 1 1 223 223 ARG N N 15 122.1 0.1 . 1 . . . . . . . . 5547 1 1073 . 1 1 224 224 LEU H H 1 8.91 0.01 . 1 . . . . . . . . 5547 1 1074 . 1 1 224 224 LEU HA H 1 4.63 0.01 . 1 . . . . . . . . 5547 1 1075 . 1 1 224 224 LEU CA C 13 54.4 0.1 . 1 . . . . . . . . 5547 1 1076 . 1 1 224 224 LEU CB C 13 36.2 0.1 . 1 . . . . . . . . 5547 1 1077 . 1 1 224 224 LEU N N 15 118.0 0.1 . 1 . . . . . . . . 5547 1 1078 . 1 1 225 225 ASP H H 1 7.81 0.01 . 1 . . . . . . . . 5547 1 1079 . 1 1 225 225 ASP HA H 1 4.81 0.01 . 1 . . . . . . . . 5547 1 1080 . 1 1 225 225 ASP CA C 13 48.9 0.1 . 1 . . . . . . . . 5547 1 1081 . 1 1 225 225 ASP CB C 13 36.2 0.1 . 1 . . . . . . . . 5547 1 1082 . 1 1 225 225 ASP N N 15 111.1 0.1 . 1 . . . . . . . . 5547 1 1083 . 1 1 226 226 ALA H H 1 8.01 0.01 . 1 . . . . . . . . 5547 1 1084 . 1 1 226 226 ALA HA H 1 4.52 0.01 . 1 . . . . . . . . 5547 1 1085 . 1 1 226 226 ALA CA C 13 48.9 0.1 . 1 . . . . . . . . 5547 1 1086 . 1 1 226 226 ALA CB C 13 15.1 0.1 . 1 . . . . . . . . 5547 1 1087 . 1 1 226 226 ALA N N 15 126.7 0.1 . 1 . . . . . . . . 5547 1 1088 . 1 1 227 227 LEU H H 1 9.59 0.01 . 1 . . . . . . . . 5547 1 1089 . 1 1 227 227 LEU HA H 1 4.28 0.01 . 1 . . . . . . . . 5547 1 1090 . 1 1 227 227 LEU CA C 13 54.4 0.1 . 1 . . . . . . . . 5547 1 1091 . 1 1 227 227 LEU CB C 13 36.2 0.1 . 1 . . . . . . . . 5547 1 1092 . 1 1 227 227 LEU N N 15 127.2 0.1 . 1 . . . . . . . . 5547 1 1093 . 1 1 228 228 ASN H H 1 7.56 0.01 . 1 . . . . . . . . 5547 1 1094 . 1 1 228 228 ASN HA H 1 4.72 0.01 . 1 . . . . . . . . 5547 1 1095 . 1 1 228 228 ASN CA C 13 47.7 0.1 . 1 . . . . . . . . 5547 1 1096 . 1 1 228 228 ASN CB C 13 35.0 0.1 . 1 . . . . . . . . 5547 1 1097 . 1 1 228 228 ASN N N 15 119.5 0.1 . 1 . . . . . . . . 5547 1 1098 . 1 1 229 229 PRO HA H 1 4.49 0.01 . 1 . . . . . . . . 5547 1 1099 . 1 1 229 229 PRO CA C 13 59.9 0.1 . 1 . . . . . . . . 5547 1 1100 . 1 1 229 229 PRO CB C 13 26.8 0.1 . 1 . . . . . . . . 5547 1 1101 . 1 1 230 230 SER H H 1 8.84 0.01 . 1 . . . . . . . . 5547 1 1102 . 1 1 230 230 SER HA H 1 3.93 0.01 . 1 . . . . . . . . 5547 1 1103 . 1 1 230 230 SER CA C 13 56.9 0.1 . 1 . . . . . . . . 5547 1 1104 . 1 1 230 230 SER CB C 13 59.6 0.1 . 1 . . . . . . . . 5547 1 1105 . 1 1 230 230 SER N N 15 116.3 0.1 . 1 . . . . . . . . 5547 1 1106 . 1 1 231 231 ALA H H 1 7.48 0.01 . 1 . . . . . . . . 5547 1 1107 . 1 1 231 231 ALA HA H 1 4.19 0.01 . 1 . . . . . . . . 5547 1 1108 . 1 1 231 231 ALA CA C 13 49.2 0.1 . 1 . . . . . . . . 5547 1 1109 . 1 1 231 231 ALA CB C 13 15.1 0.1 . 1 . . . . . . . . 5547 1 1110 . 1 1 231 231 ALA N N 15 122.7 0.1 . 1 . . . . . . . . 5547 1 1111 . 1 1 232 232 LEU H H 1 7.92 0.01 . 1 . . . . . . . . 5547 1 1112 . 1 1 232 232 LEU HA H 1 4.69 0.01 . 1 . . . . . . . . 5547 1 1113 . 1 1 232 232 LEU CA C 13 54.2 0.1 . 1 . . . . . . . . 5547 1 1114 . 1 1 232 232 LEU CB C 13 33.9 0.1 . 1 . . . . . . . . 5547 1 1115 . 1 1 232 232 LEU N N 15 120.5 0.1 . 1 . . . . . . . . 5547 1 1116 . 1 1 233 233 GLY H H 1 8.31 0.01 . 1 . . . . . . . . 5547 1 1117 . 1 1 233 233 GLY HA2 H 1 3.87 0.01 . 1 . . . . . . . . 5547 1 1118 . 1 1 233 233 GLY HA3 H 1 3.87 0.01 . 1 . . . . . . . . 5547 1 1119 . 1 1 233 233 GLY CA C 13 43.4 0.1 . 1 . . . . . . . . 5547 1 1120 . 1 1 233 233 GLY N N 15 108.0 0.1 . 1 . . . . . . . . 5547 1 1121 . 1 1 234 234 THR H H 1 6.89 0.01 . 1 . . . . . . . . 5547 1 1122 . 1 1 234 234 THR CA C 13 59.70 0.01 . 1 . . . . . . . . 5547 1 1123 . 1 1 234 234 THR CB C 13 65.5 0.1 . 1 . . . . . . . . 5547 1 1124 . 1 1 234 234 THR N N 15 105.3 0.1 . 1 . . . . . . . . 5547 1 1125 . 1 1 235 235 GLY H H 1 7.93 0.01 . 1 . . . . . . . . 5547 1 1126 . 1 1 235 235 GLY HA2 H 1 3.78 0.01 . 1 . . . . . . . . 5547 1 1127 . 1 1 235 235 GLY HA3 H 1 4.05 0.01 . 1 . . . . . . . . 5547 1 1128 . 1 1 235 235 GLY CA C 13 41.2 0.1 . 1 . . . . . . . . 5547 1 1129 . 1 1 235 235 GLY N N 15 113.5 0.1 . 1 . . . . . . . . 5547 1 1130 . 1 1 236 236 GLY H H 1 8.27 0.01 . 1 . . . . . . . . 5547 1 1131 . 1 1 236 236 GLY HA2 H 1 3.70 0.01 . 1 . . . . . . . . 5547 1 1132 . 1 1 236 236 GLY HA3 H 1 3.96 0.01 . 1 . . . . . . . . 5547 1 1133 . 1 1 236 236 GLY CA C 13 43.7 0.1 . 1 . . . . . . . . 5547 1 1134 . 1 1 236 236 GLY N N 15 106.5 0.1 . 1 . . . . . . . . 5547 1 1135 . 1 1 237 237 GLY H H 1 8.31 0.01 . 1 . . . . . . . . 5547 1 1136 . 1 1 237 237 GLY HA2 H 1 3.87 0.01 . 1 . . . . . . . . 5547 1 1137 . 1 1 237 237 GLY HA3 H 1 3.87 0.01 . 1 . . . . . . . . 5547 1 1138 . 1 1 237 237 GLY CA C 13 43.4 0.1 . 1 . . . . . . . . 5547 1 1139 . 1 1 237 237 GLY N N 15 108.0 0.1 . 1 . . . . . . . . 5547 1 1140 . 1 1 238 238 ALA H H 1 8.14 0.01 . 1 . . . . . . . . 5547 1 1141 . 1 1 238 238 ALA HA H 1 4.34 0.01 . 1 . . . . . . . . 5547 1 1142 . 1 1 238 238 ALA CA C 13 48.9 0.1 . 1 . . . . . . . . 5547 1 1143 . 1 1 238 238 ALA CB C 13 15.0 0.1 . 1 . . . . . . . . 5547 1 1144 . 1 1 238 238 ALA N N 15 124.7 0.1 . 1 . . . . . . . . 5547 1 1145 . 1 1 239 239 GLY H H 1 8.25 0.01 . 1 . . . . . . . . 5547 1 1146 . 1 1 239 239 GLY HA2 H 1 3.46 0.01 . 1 . . . . . . . . 5547 1 1147 . 1 1 239 239 GLY HA3 H 1 3.84 0.01 . 1 . . . . . . . . 5547 1 1148 . 1 1 239 239 GLY CA C 13 43.4 0.1 . 1 . . . . . . . . 5547 1 1149 . 1 1 239 239 GLY N N 15 107.3 0.1 . 1 . . . . . . . . 5547 1 1150 . 1 1 240 240 GLY H H 1 7.52 0.01 . 1 . . . . . . . . 5547 1 1151 . 1 1 240 240 GLY HA2 H 1 3.43 0.01 . 1 . . . . . . . . 5547 1 1152 . 1 1 240 240 GLY HA3 H 1 3.84 0.01 . 1 . . . . . . . . 5547 1 1153 . 1 1 240 240 GLY CA C 13 42.1 0.1 . 1 . . . . . . . . 5547 1 1154 . 1 1 240 240 GLY N N 15 107.5 0.1 . 1 . . . . . . . . 5547 1 1155 . 1 1 241 241 PHE H H 1 7.69 0.01 . 1 . . . . . . . . 5547 1 1156 . 1 1 241 241 PHE HA H 1 4.54 0.01 . 1 . . . . . . . . 5547 1 1157 . 1 1 241 241 PHE CA C 13 53.9 0.1 . 1 . . . . . . . . 5547 1 1158 . 1 1 241 241 PHE CB C 13 33.9 0.1 . 1 . . . . . . . . 5547 1 1159 . 1 1 241 241 PHE N N 15 120.6 0.1 . 1 . . . . . . . . 5547 1 1160 . 1 1 242 242 ASN H H 1 8.11 0.01 . 1 . . . . . . . . 5547 1 1161 . 1 1 242 242 ASN HA H 1 4.93 0.01 . 1 . . . . . . . . 5547 1 1162 . 1 1 242 242 ASN CA C 13 51.9 0.1 . 1 . . . . . . . . 5547 1 1163 . 1 1 242 242 ASN CB C 13 36.2 0.1 . 1 . . . . . . . . 5547 1 1164 . 1 1 242 242 ASN N N 15 115.4 0.1 . 1 . . . . . . . . 5547 1 1165 . 1 1 243 243 GLY H H 1 8.89 0.01 . 1 . . . . . . . . 5547 1 1166 . 1 1 243 243 GLY HA2 H 1 3.73 0.01 . 1 . . . . . . . . 5547 1 1167 . 1 1 243 243 GLY HA3 H 1 4.52 0.01 . 1 . . . . . . . . 5547 1 1168 . 1 1 243 243 GLY CA C 13 41.4 0.1 . 1 . . . . . . . . 5547 1 1169 . 1 1 243 243 GLY N N 15 109.5 0.1 . 1 . . . . . . . . 5547 1 1170 . 1 1 244 244 TYR H H 1 8.58 0.01 . 1 . . . . . . . . 5547 1 1171 . 1 1 244 244 TYR HA H 1 3.93 0.01 . 1 . . . . . . . . 5547 1 1172 . 1 1 244 244 TYR CA C 13 55.7 0.1 . 1 . . . . . . . . 5547 1 1173 . 1 1 244 244 TYR CB C 13 32.7 0.1 . 1 . . . . . . . . 5547 1 1174 . 1 1 244 244 TYR N N 15 117.7 0.1 . 1 . . . . . . . . 5547 1 1175 . 1 1 246 246 SER H H 1 8.25 0.01 . 1 . . . . . . . . 5547 1 1176 . 1 1 246 246 SER HA H 1 5.13 0.01 . 1 . . . . . . . . 5547 1 1177 . 1 1 246 246 SER CA C 13 54.4 0.1 . 1 . . . . . . . . 5547 1 1178 . 1 1 246 246 SER CB C 13 62.0 0.1 . 1 . . . . . . . . 5547 1 1179 . 1 1 246 246 SER N N 15 113.8 0.1 . 1 . . . . . . . . 5547 1 1180 . 1 1 247 247 ALA H H 1 9.15 0.01 . 1 . . . . . . . . 5547 1 1181 . 1 1 247 247 ALA HA H 1 5.23 0.01 . 1 . . . . . . . . 5547 1 1182 . 1 1 247 247 ALA CA C 13 47.2 0.1 . 1 . . . . . . . . 5547 1 1183 . 1 1 247 247 ALA CB C 13 18.6 0.1 . 1 . . . . . . . . 5547 1 1184 . 1 1 247 247 ALA N N 15 118.7 0.1 . 1 . . . . . . . . 5547 1 1185 . 1 1 248 248 VAL H H 1 8.82 0.01 . 1 . . . . . . . . 5547 1 1186 . 1 1 248 248 VAL HA H 1 4.46 0.01 . 1 . . . . . . . . 5547 1 1187 . 1 1 248 248 VAL CA C 13 59.9 0.1 . 1 . . . . . . . . 5547 1 1188 . 1 1 248 248 VAL CB C 13 29.1 0.1 . 1 . . . . . . . . 5547 1 1189 . 1 1 248 248 VAL N N 15 119.4 0.1 . 1 . . . . . . . . 5547 1 1190 . 1 1 249 249 VAL H H 1 7.90 0.01 . 1 . . . . . . . . 5547 1 1191 . 1 1 249 249 VAL HA H 1 3.70 0.01 . 1 . . . . . . . . 5547 1 1192 . 1 1 249 249 VAL CA C 13 54.9 0.1 . 1 . . . . . . . . 5547 1 1193 . 1 1 249 249 VAL CB C 13 29.6 0.1 . 1 . . . . . . . . 5547 1 1194 . 1 1 249 249 VAL N N 15 117.7 0.1 . 1 . . . . . . . . 5547 1 1195 . 1 1 250 250 GLY H H 1 8.53 0.01 . 1 . . . . . . . . 5547 1 1196 . 1 1 250 250 GLY HA2 H 1 3.67 0.01 . 1 . . . . . . . . 5547 1 1197 . 1 1 250 250 GLY HA3 H 1 3.67 0.01 . 1 . . . . . . . . 5547 1 1198 . 1 1 250 250 GLY CA C 13 42.1 0.1 . 1 . . . . . . . . 5547 1 1199 . 1 1 250 250 GLY N N 15 106.8 0.1 . 1 . . . . . . . . 5547 1 1200 . 1 1 251 251 ILE H H 1 8.35 0.01 . 1 . . . . . . . . 5547 1 1201 . 1 1 251 251 ILE HA H 1 4.75 0.01 . 1 . . . . . . . . 5547 1 1202 . 1 1 251 251 ILE CA C 13 60.2 0.1 . 1 . . . . . . . . 5547 1 1203 . 1 1 251 251 ILE CB C 13 32.7 0.1 . 1 . . . . . . . . 5547 1 1204 . 1 1 251 251 ILE N N 15 117.2 0.1 . 1 . . . . . . . . 5547 1 1205 . 1 1 252 252 LYS H H 1 7.18 0.01 . 1 . . . . . . . . 5547 1 1206 . 1 1 252 252 LYS HA H 1 3.84 0.01 . 1 . . . . . . . . 5547 1 1207 . 1 1 252 252 LYS CA C 13 50.7 0.1 . 1 . . . . . . . . 5547 1 1208 . 1 1 252 252 LYS CB C 13 28.0 0.1 . 1 . . . . . . . . 5547 1 1209 . 1 1 252 252 LYS N N 15 122.7 0.1 . 1 . . . . . . . . 5547 1 stop_ save_