data_15911 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15911 _Entry.Title ; NMR backbone assignments of the periplasmic loop P2 of the MalF subunit of the maltose ATP binding cassette transporter ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-08-07 _Entry.Accession_date 2008-08-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Tomas Jacso . . . 15911 2 Mathias Grote . . . 15911 3 Peter Schmieder . . . 15911 4 Erwin Schneider . . . 15911 5 Bernd Reif . . . 15911 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Bernd Reif; FMP' . 15911 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15911 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 329 15911 '15N chemical shifts' 157 15911 '1H chemical shifts' 157 15911 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-05-05 2008-08-07 update BMRB 'complete entry citation' 15911 1 . . 2008-10-02 2008-08-07 original author 'original release' 15911 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15911 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19159328 _Citation.Full_citation . _Citation.Title ; The periplasmic loop P2 of the MalF subunit of the maltose ATP binding cassette transporter is sufficient to bind the maltose binding protein MalE ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 48 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2216 _Citation.Page_last 2225 _Citation.Year 2009 _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 Tomas Jacso . . . 15911 1 2 Mathias Grote . . . 15911 1 3 Martin Daus . L. . 15911 1 4 Peter Schmieder . . . 15911 1 5 Sandro Keller . . . 15911 1 6 Erwin Schneider . . . 15911 1 7 Bernd Reif . . . 15911 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'ABC Transporter' 15911 1 'Maltose Transport' 15911 1 'Membrane Protein' 15911 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15911 _Assembly.ID 1 _Assembly.Name MalF-P2 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MalF-P2 1 $MalF-P2 A . yes native no no . . . 15911 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MalF-P2 _Entity.Sf_category entity _Entity.Sf_framecode MalF-P2 _Entity.Entry_ID 15911 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MalF-P2 _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 ; MNYSSTNQLTFERAQEVLLD RSWQAGKTYNFGLYPAGDEW QLALSDGETGKNYLSDAFKF GGEQKLQLKETTAQPEGERA NLRVITQNRQALSDITAILP DGNKVMMSSLRQFSGTQPLY TLDGDGTLTNNQSGVKYRPN NQIGFYQSITADGNWGDEKL SPGYTVTTGWKNFTRVFTDE GIQK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The second residue in MalF-P2 is residue N93 in MalF' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 184 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2R6G . "The Crystal Structure Of The E. Coli Maltose Transporter" . . . . . 99.46 514 100.00 100.00 1.83e-126 . . . . 15911 1 2 no PDB 3FH6 . "Crystal Structure Of The Resting State Maltose Transporter From E. Coli" . . . . . 99.46 480 100.00 100.00 5.91e-127 . . . . 15911 1 3 no PDB 3PUV . "Crystal Structure Of An Outward-Facing Mbp-Maltose Transporter Complex Bound To Adp-Vo4" . . . . . 99.46 514 100.00 100.00 1.83e-126 . . . . 15911 1 4 no PDB 3PUW . "Crystal Structure Of An Outward-Facing Mbp-Maltose Transporter Complex Bound To Adp-Alf4" . . . . . 99.46 514 100.00 100.00 1.83e-126 . . . . 15911 1 5 no PDB 3PUX . "Crystal Structure Of An Outward-Facing Mbp-Maltose Transporter Complex Bound To Adp-Bef3" . . . . . 99.46 514 100.00 100.00 1.83e-126 . . . . 15911 1 6 no PDB 3PUY . "Crystal Structure Of An Outward-Facing Mbp-Maltose Transporter Complex Bound To Amp-Pnp After Crystal Soaking Of The Pretranslo" . . . . . 99.46 514 100.00 100.00 1.83e-126 . . . . 15911 1 7 no PDB 3PUZ . "Crystal Structure Of A Pre-Translocation State Mbp-Maltose Transporter Complex Bound To Amp-Pnp" . . . . . 99.46 514 100.00 100.00 1.83e-126 . . . . 15911 1 8 no PDB 3PV0 . "Crystal Structure Of A Pre-Translocation State Mbp-Maltose Transporter Complex Without Nucleotide" . . . . . 99.46 514 100.00 100.00 1.83e-126 . . . . 15911 1 9 no PDB 3RLF . "Crystal Structure Of The Maltose-Binding ProteinMALTOSE TRANSPORTER Complex In An Outward-Facing Conformation Bound To Mgamppnp" . . . . . 99.46 514 100.00 100.00 1.83e-126 . . . . 15911 1 10 no PDB 4JBW . "Crystal Structure Of E. Coli Maltose Transporter Malfgk2 In Complex With Its Regulatory Protein Eiiaglc" . . . . . 99.46 514 100.00 100.00 1.83e-126 . . . . 15911 1 11 no PDB 4KHZ . "Crystal Structure Of The Maltose-binding Protein/maltose Transporter Complex In An Pre-translocation Conformation Bound To Malt" . . . . . 99.46 514 100.00 100.00 1.83e-126 . . . . 15911 1 12 no PDB 4KI0 . "Crystal Structure Of The Maltose-binding Protein/maltose Transporter Complex In An Outward-facing Conformation Bound To Maltohe" . . . . . 99.46 514 100.00 100.00 1.83e-126 . . . . 15911 1 13 no DBJ BAB38439 . "transport system permease protein MalF [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.46 514 99.45 99.45 2.75e-125 . . . . 15911 1 14 no DBJ BAE78035 . "maltose transporter subunit [Escherichia coli str. K12 substr. W3110]" . . . . . 99.46 514 100.00 100.00 1.83e-126 . . . . 15911 1 15 no DBJ BAG79848 . "maltose ABC transporter permease component [Escherichia coli SE11]" . . . . . 99.46 514 99.45 100.00 1.06e-125 . . . . 15911 1 16 no DBJ BAI57430 . "maltose ABC transporter permease component [Escherichia coli SE15]" . . . . . 99.46 514 98.36 99.45 1.87e-124 . . . . 15911 1 17 no DBJ BAJ45745 . "maltose transport system permease protein malF [Escherichia coli DH1]" . . . . . 99.46 514 100.00 100.00 1.83e-126 . . . . 15911 1 18 no EMBL CAP78493 . "Maltose transport system permease protein malF [Escherichia coli LF82]" . . . . . 99.46 514 97.81 98.36 6.45e-124 . . . . 15911 1 19 no EMBL CAQ34382 . "malF, subunit of maltose ABC transporter [Escherichia coli BL21(DE3)]" . . . . . 99.46 514 100.00 100.00 1.83e-126 . . . . 15911 1 20 no EMBL CAR01011 . "maltose transporter subunit ; membrane component of ABC superfamily [Escherichia coli IAI1]" . . . . . 99.46 514 100.00 100.00 1.83e-126 . . . . 15911 1 21 no EMBL CAR05668 . "maltose transporter subunit ; membrane component of ABC superfamily [Escherichia coli S88]" . . . . . 99.46 514 98.91 99.45 2.84e-125 . . . . 15911 1 22 no EMBL CAR10710 . "maltose transporter subunit ; membrane component of ABC superfamily [Escherichia coli ED1a]" . . . . . 99.46 514 97.27 98.36 3.74e-123 . . . . 15911 1 23 no GB AAB59055 . "cytoplasmic maltose-binding protein [Escherichia coli]" . . . . . 99.46 514 100.00 100.00 1.83e-126 . . . . 15911 1 24 no GB AAC43127 . "maltose transport inner membrane protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.46 514 100.00 100.00 1.83e-126 . . . . 15911 1 25 no GB AAC77003 . "maltose transporter subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.46 514 100.00 100.00 1.83e-126 . . . . 15911 1 26 no GB AAG59232 . "part of maltose permease, periplasmic [Escherichia coli O157:H7 str. EDL933]" . . . . . 99.46 514 98.91 98.91 5.66e-124 . . . . 15911 1 27 no GB AAN45593 . "part of maltose permease [Shigella flexneri 2a str. 301]" . . . . . 99.46 514 100.00 100.00 1.47e-126 . . . . 15911 1 28 no REF NP_313043 . "maltose transporter membrane protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.46 514 99.45 99.45 2.75e-125 . . . . 15911 1 29 no REF NP_418457 . "maltose transporter subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.46 514 100.00 100.00 1.83e-126 . . . . 15911 1 30 no REF NP_709886 . "maltose transporter membrane protein [Shigella flexneri 2a str. 301]" . . . . . 99.46 514 100.00 100.00 1.47e-126 . . . . 15911 1 31 no REF WP_001295280 . "maltose ABC transporter permease [Escherichia coli]" . . . . . 99.46 514 100.00 100.00 1.60e-126 . . . . 15911 1 32 no REF WP_001296633 . "MULTISPECIES: maltose transporter membrane protein [Enterobacteriaceae]" . . . . . 99.46 514 98.91 99.45 4.78e-125 . . . . 15911 1 33 no SP P02916 . "RecName: Full=Maltose transport system permease protein MalF" . . . . . 99.46 514 100.00 100.00 1.83e-126 . . . . 15911 1 34 no SP Q7A937 . "RecName: Full=Maltose transport system permease protein MalF" . . . . . 99.46 514 99.45 99.45 2.75e-125 . . . . 15911 1 35 no SP Q83P81 . "RecName: Full=Maltose transport system permease protein MalF" . . . . . 99.46 514 100.00 100.00 1.47e-126 . . . . 15911 1 36 no SP Q8FB38 . "RecName: Full=Maltose transport system permease protein MalF" . . . . . 99.46 519 97.81 98.36 8.09e-124 . . . . 15911 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 92 MET . 15911 1 2 93 ASN . 15911 1 3 94 TYR . 15911 1 4 95 SER . 15911 1 5 96 SER . 15911 1 6 97 THR . 15911 1 7 98 ASN . 15911 1 8 99 GLN . 15911 1 9 100 LEU . 15911 1 10 101 THR . 15911 1 11 102 PHE . 15911 1 12 103 GLU . 15911 1 13 104 ARG . 15911 1 14 105 ALA . 15911 1 15 106 GLN . 15911 1 16 107 GLU . 15911 1 17 108 VAL . 15911 1 18 109 LEU . 15911 1 19 110 LEU . 15911 1 20 111 ASP . 15911 1 21 112 ARG . 15911 1 22 113 SER . 15911 1 23 114 TRP . 15911 1 24 115 GLN . 15911 1 25 116 ALA . 15911 1 26 117 GLY . 15911 1 27 118 LYS . 15911 1 28 119 THR . 15911 1 29 120 TYR . 15911 1 30 121 ASN . 15911 1 31 122 PHE . 15911 1 32 123 GLY . 15911 1 33 124 LEU . 15911 1 34 125 TYR . 15911 1 35 126 PRO . 15911 1 36 127 ALA . 15911 1 37 128 GLY . 15911 1 38 129 ASP . 15911 1 39 130 GLU . 15911 1 40 131 TRP . 15911 1 41 132 GLN . 15911 1 42 133 LEU . 15911 1 43 134 ALA . 15911 1 44 135 LEU . 15911 1 45 136 SER . 15911 1 46 137 ASP . 15911 1 47 138 GLY . 15911 1 48 139 GLU . 15911 1 49 140 THR . 15911 1 50 141 GLY . 15911 1 51 142 LYS . 15911 1 52 143 ASN . 15911 1 53 144 TYR . 15911 1 54 145 LEU . 15911 1 55 146 SER . 15911 1 56 147 ASP . 15911 1 57 148 ALA . 15911 1 58 149 PHE . 15911 1 59 150 LYS . 15911 1 60 151 PHE . 15911 1 61 152 GLY . 15911 1 62 153 GLY . 15911 1 63 154 GLU . 15911 1 64 155 GLN . 15911 1 65 156 LYS . 15911 1 66 157 LEU . 15911 1 67 158 GLN . 15911 1 68 159 LEU . 15911 1 69 160 LYS . 15911 1 70 161 GLU . 15911 1 71 162 THR . 15911 1 72 163 THR . 15911 1 73 164 ALA . 15911 1 74 165 GLN . 15911 1 75 166 PRO . 15911 1 76 167 GLU . 15911 1 77 168 GLY . 15911 1 78 169 GLU . 15911 1 79 170 ARG . 15911 1 80 171 ALA . 15911 1 81 172 ASN . 15911 1 82 173 LEU . 15911 1 83 174 ARG . 15911 1 84 175 VAL . 15911 1 85 176 ILE . 15911 1 86 177 THR . 15911 1 87 178 GLN . 15911 1 88 179 ASN . 15911 1 89 180 ARG . 15911 1 90 181 GLN . 15911 1 91 182 ALA . 15911 1 92 183 LEU . 15911 1 93 184 SER . 15911 1 94 185 ASP . 15911 1 95 186 ILE . 15911 1 96 187 THR . 15911 1 97 188 ALA . 15911 1 98 189 ILE . 15911 1 99 190 LEU . 15911 1 100 191 PRO . 15911 1 101 192 ASP . 15911 1 102 193 GLY . 15911 1 103 194 ASN . 15911 1 104 195 LYS . 15911 1 105 196 VAL . 15911 1 106 197 MET . 15911 1 107 198 MET . 15911 1 108 199 SER . 15911 1 109 200 SER . 15911 1 110 201 LEU . 15911 1 111 202 ARG . 15911 1 112 203 GLN . 15911 1 113 204 PHE . 15911 1 114 205 SER . 15911 1 115 206 GLY . 15911 1 116 207 THR . 15911 1 117 208 GLN . 15911 1 118 209 PRO . 15911 1 119 210 LEU . 15911 1 120 211 TYR . 15911 1 121 212 THR . 15911 1 122 213 LEU . 15911 1 123 214 ASP . 15911 1 124 215 GLY . 15911 1 125 216 ASP . 15911 1 126 217 GLY . 15911 1 127 218 THR . 15911 1 128 219 LEU . 15911 1 129 220 THR . 15911 1 130 221 ASN . 15911 1 131 222 ASN . 15911 1 132 223 GLN . 15911 1 133 224 SER . 15911 1 134 225 GLY . 15911 1 135 226 VAL . 15911 1 136 227 LYS . 15911 1 137 228 TYR . 15911 1 138 229 ARG . 15911 1 139 230 PRO . 15911 1 140 231 ASN . 15911 1 141 232 ASN . 15911 1 142 233 GLN . 15911 1 143 234 ILE . 15911 1 144 235 GLY . 15911 1 145 236 PHE . 15911 1 146 237 TYR . 15911 1 147 238 GLN . 15911 1 148 239 SER . 15911 1 149 240 ILE . 15911 1 150 241 THR . 15911 1 151 242 ALA . 15911 1 152 243 ASP . 15911 1 153 244 GLY . 15911 1 154 245 ASN . 15911 1 155 246 TRP . 15911 1 156 247 GLY . 15911 1 157 248 ASP . 15911 1 158 249 GLU . 15911 1 159 250 LYS . 15911 1 160 251 LEU . 15911 1 161 252 SER . 15911 1 162 253 PRO . 15911 1 163 254 GLY . 15911 1 164 255 TYR . 15911 1 165 256 THR . 15911 1 166 257 VAL . 15911 1 167 258 THR . 15911 1 168 259 THR . 15911 1 169 260 GLY . 15911 1 170 261 TRP . 15911 1 171 262 LYS . 15911 1 172 263 ASN . 15911 1 173 264 PHE . 15911 1 174 265 THR . 15911 1 175 266 ARG . 15911 1 176 267 VAL . 15911 1 177 268 PHE . 15911 1 178 269 THR . 15911 1 179 270 ASP . 15911 1 180 271 GLU . 15911 1 181 272 GLY . 15911 1 182 273 ILE . 15911 1 183 274 GLN . 15911 1 184 275 LYS . 15911 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15911 1 . ASN 2 2 15911 1 . TYR 3 3 15911 1 . SER 4 4 15911 1 . SER 5 5 15911 1 . THR 6 6 15911 1 . ASN 7 7 15911 1 . GLN 8 8 15911 1 . LEU 9 9 15911 1 . THR 10 10 15911 1 . PHE 11 11 15911 1 . GLU 12 12 15911 1 . ARG 13 13 15911 1 . ALA 14 14 15911 1 . GLN 15 15 15911 1 . GLU 16 16 15911 1 . VAL 17 17 15911 1 . LEU 18 18 15911 1 . LEU 19 19 15911 1 . ASP 20 20 15911 1 . ARG 21 21 15911 1 . SER 22 22 15911 1 . TRP 23 23 15911 1 . GLN 24 24 15911 1 . ALA 25 25 15911 1 . GLY 26 26 15911 1 . LYS 27 27 15911 1 . THR 28 28 15911 1 . TYR 29 29 15911 1 . ASN 30 30 15911 1 . PHE 31 31 15911 1 . GLY 32 32 15911 1 . LEU 33 33 15911 1 . TYR 34 34 15911 1 . PRO 35 35 15911 1 . ALA 36 36 15911 1 . GLY 37 37 15911 1 . ASP 38 38 15911 1 . GLU 39 39 15911 1 . TRP 40 40 15911 1 . GLN 41 41 15911 1 . LEU 42 42 15911 1 . ALA 43 43 15911 1 . LEU 44 44 15911 1 . SER 45 45 15911 1 . ASP 46 46 15911 1 . GLY 47 47 15911 1 . GLU 48 48 15911 1 . THR 49 49 15911 1 . GLY 50 50 15911 1 . LYS 51 51 15911 1 . ASN 52 52 15911 1 . TYR 53 53 15911 1 . LEU 54 54 15911 1 . SER 55 55 15911 1 . ASP 56 56 15911 1 . ALA 57 57 15911 1 . PHE 58 58 15911 1 . LYS 59 59 15911 1 . PHE 60 60 15911 1 . GLY 61 61 15911 1 . GLY 62 62 15911 1 . GLU 63 63 15911 1 . GLN 64 64 15911 1 . LYS 65 65 15911 1 . LEU 66 66 15911 1 . GLN 67 67 15911 1 . LEU 68 68 15911 1 . LYS 69 69 15911 1 . GLU 70 70 15911 1 . THR 71 71 15911 1 . THR 72 72 15911 1 . ALA 73 73 15911 1 . GLN 74 74 15911 1 . PRO 75 75 15911 1 . GLU 76 76 15911 1 . GLY 77 77 15911 1 . GLU 78 78 15911 1 . ARG 79 79 15911 1 . ALA 80 80 15911 1 . ASN 81 81 15911 1 . LEU 82 82 15911 1 . ARG 83 83 15911 1 . VAL 84 84 15911 1 . ILE 85 85 15911 1 . THR 86 86 15911 1 . GLN 87 87 15911 1 . ASN 88 88 15911 1 . ARG 89 89 15911 1 . GLN 90 90 15911 1 . ALA 91 91 15911 1 . LEU 92 92 15911 1 . SER 93 93 15911 1 . ASP 94 94 15911 1 . ILE 95 95 15911 1 . THR 96 96 15911 1 . ALA 97 97 15911 1 . ILE 98 98 15911 1 . LEU 99 99 15911 1 . PRO 100 100 15911 1 . ASP 101 101 15911 1 . GLY 102 102 15911 1 . ASN 103 103 15911 1 . LYS 104 104 15911 1 . VAL 105 105 15911 1 . MET 106 106 15911 1 . MET 107 107 15911 1 . SER 108 108 15911 1 . SER 109 109 15911 1 . LEU 110 110 15911 1 . ARG 111 111 15911 1 . GLN 112 112 15911 1 . PHE 113 113 15911 1 . SER 114 114 15911 1 . GLY 115 115 15911 1 . THR 116 116 15911 1 . GLN 117 117 15911 1 . PRO 118 118 15911 1 . LEU 119 119 15911 1 . TYR 120 120 15911 1 . THR 121 121 15911 1 . LEU 122 122 15911 1 . ASP 123 123 15911 1 . GLY 124 124 15911 1 . ASP 125 125 15911 1 . GLY 126 126 15911 1 . THR 127 127 15911 1 . LEU 128 128 15911 1 . THR 129 129 15911 1 . ASN 130 130 15911 1 . ASN 131 131 15911 1 . GLN 132 132 15911 1 . SER 133 133 15911 1 . GLY 134 134 15911 1 . VAL 135 135 15911 1 . LYS 136 136 15911 1 . TYR 137 137 15911 1 . ARG 138 138 15911 1 . PRO 139 139 15911 1 . ASN 140 140 15911 1 . ASN 141 141 15911 1 . GLN 142 142 15911 1 . ILE 143 143 15911 1 . GLY 144 144 15911 1 . PHE 145 145 15911 1 . TYR 146 146 15911 1 . GLN 147 147 15911 1 . SER 148 148 15911 1 . ILE 149 149 15911 1 . THR 150 150 15911 1 . ALA 151 151 15911 1 . ASP 152 152 15911 1 . GLY 153 153 15911 1 . ASN 154 154 15911 1 . TRP 155 155 15911 1 . GLY 156 156 15911 1 . ASP 157 157 15911 1 . GLU 158 158 15911 1 . LYS 159 159 15911 1 . LEU 160 160 15911 1 . SER 161 161 15911 1 . PRO 162 162 15911 1 . GLY 163 163 15911 1 . TYR 164 164 15911 1 . THR 165 165 15911 1 . VAL 166 166 15911 1 . THR 167 167 15911 1 . THR 168 168 15911 1 . GLY 169 169 15911 1 . TRP 170 170 15911 1 . LYS 171 171 15911 1 . ASN 172 172 15911 1 . PHE 173 173 15911 1 . THR 174 174 15911 1 . ARG 175 175 15911 1 . VAL 176 176 15911 1 . PHE 177 177 15911 1 . THR 178 178 15911 1 . ASP 179 179 15911 1 . GLU 180 180 15911 1 . GLY 181 181 15911 1 . ILE 182 182 15911 1 . GLN 183 183 15911 1 . LYS 184 184 15911 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 15911 _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 $MalF-P2 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15911 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 15911 _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 $MalF-P2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-15 . . . . . . 15911 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15911 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MalF-P2 '[U-100% 13C; U-100% 15N; 80% 2H]' . . 1 $MalF-P2 . . 1.0 . . mM 0.1 . . . 15911 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15911 1 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15911 1 4 phosphate 'natural abundance' . . . . . . 20 . . mM . . . . 15911 1 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15911 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15911 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 20mM phosphate 100mM NaCl ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 2 mM 15911 1 pH 7.4 0.2 pH 15911 1 pressure 1 . atm 15911 1 temperature 300 1 K 15911 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15911 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15911 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15911 1 processing 15911 1 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 15911 _Software.ID 2 _Software.Name CcpNMR _Software.Version . _Software.Details ; Vranken, W. F., Boucher, W., Stevens, T. J., Pajon, R. F. A., Llinas, M., L. Ulrich, E., Markley, J. L., Ionides, J. & Laue, E. D. (2005). The CCPN Data Model for NMR Spectroscopy: Development of a Software Pipeline. Proteins 59, 687-696. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 15911 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15911 2 'data analysis' 15911 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15911 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15911 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 15911 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 15911 _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 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15911 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15911 1 3 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15911 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15911 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15911 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15911 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '13C chemical shifts determined with fully deuterated protein' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15911 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15911 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15911 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15911 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 15911 1 2 '3D HNCACB' . . . 15911 1 3 '3D HN(COCA)CB' . . . 15911 1 4 '2D 1H-15N HSQC' . . . 15911 1 5 '2D 1H-13C HSQC' . . . 15911 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 TYR CA C 13 57.399 0.000 . 1 . . . . 94 TYR CA . 15911 1 2 . 1 1 3 3 TYR CB C 13 37.862 0.000 . 1 . . . . 94 TYR CB . 15911 1 3 . 1 1 4 4 SER H H 1 7.781 0.003 . 1 . . . . 95 SER H . 15911 1 4 . 1 1 4 4 SER CA C 13 59.561 0.000 . 1 . . . . 95 SER CA . 15911 1 5 . 1 1 4 4 SER CB C 13 64.269 0.000 . 1 . . . . 95 SER CB . 15911 1 6 . 1 1 4 4 SER N N 15 122.936 0.013 . 1 . . . . 95 SER N . 15911 1 7 . 1 1 8 8 GLN CA C 13 55.422 0.003 . 1 . . . . 99 GLN CA . 15911 1 8 . 1 1 8 8 GLN CB C 13 29.715 0.021 . 1 . . . . 99 GLN CB . 15911 1 9 . 1 1 9 9 LEU H H 1 8.195 0.010 . 1 . . . . 100 LEU H . 15911 1 10 . 1 1 9 9 LEU CA C 13 54.144 0.024 . 1 . . . . 100 LEU CA . 15911 1 11 . 1 1 9 9 LEU CB C 13 42.558 0.020 . 1 . . . . 100 LEU CB . 15911 1 12 . 1 1 9 9 LEU N N 15 123.037 0.033 . 1 . . . . 100 LEU N . 15911 1 13 . 1 1 10 10 THR H H 1 7.470 0.002 . 1 . . . . 101 THR H . 15911 1 14 . 1 1 10 10 THR CA C 13 60.648 0.032 . 1 . . . . 101 THR CA . 15911 1 15 . 1 1 10 10 THR CB C 13 70.429 0.007 . 1 . . . . 101 THR CB . 15911 1 16 . 1 1 10 10 THR N N 15 109.802 0.040 . 1 . . . . 101 THR N . 15911 1 17 . 1 1 11 11 PHE H H 1 9.061 0.003 . 1 . . . . 102 PHE H . 15911 1 18 . 1 1 11 11 PHE CA C 13 60.937 0.065 . 1 . . . . 102 PHE CA . 15911 1 19 . 1 1 11 11 PHE CB C 13 38.217 0.009 . 1 . . . . 102 PHE CB . 15911 1 20 . 1 1 11 11 PHE N N 15 122.893 0.016 . 1 . . . . 102 PHE N . 15911 1 21 . 1 1 12 12 GLU H H 1 8.865 0.006 . 1 . . . . 103 GLU H . 15911 1 22 . 1 1 12 12 GLU CA C 13 59.970 0.056 . 1 . . . . 103 GLU CA . 15911 1 23 . 1 1 12 12 GLU CB C 13 27.663 0.020 . 1 . . . . 103 GLU CB . 15911 1 24 . 1 1 12 12 GLU N N 15 116.370 0.026 . 1 . . . . 103 GLU N . 15911 1 25 . 1 1 13 13 ARG H H 1 7.431 0.005 . 1 . . . . 104 ARG H . 15911 1 26 . 1 1 13 13 ARG CA C 13 57.138 0.059 . 1 . . . . 104 ARG CA . 15911 1 27 . 1 1 13 13 ARG CB C 13 28.793 0.002 . 1 . . . . 104 ARG CB . 15911 1 28 . 1 1 13 13 ARG N N 15 119.789 0.041 . 1 . . . . 104 ARG N . 15911 1 29 . 1 1 14 14 ALA H H 1 8.412 0.003 . 1 . . . . 105 ALA H . 15911 1 30 . 1 1 14 14 ALA CA C 13 55.249 0.027 . 1 . . . . 105 ALA CA . 15911 1 31 . 1 1 14 14 ALA CB C 13 16.515 0.005 . 1 . . . . 105 ALA CB . 15911 1 32 . 1 1 14 14 ALA N N 15 123.883 0.023 . 1 . . . . 105 ALA N . 15911 1 33 . 1 1 15 15 GLN H H 1 8.042 0.003 . 1 . . . . 106 GLN H . 15911 1 34 . 1 1 15 15 GLN CA C 13 59.366 0.013 . 1 . . . . 106 GLN CA . 15911 1 35 . 1 1 15 15 GLN CB C 13 28.827 0.005 . 1 . . . . 106 GLN CB . 15911 1 36 . 1 1 15 15 GLN N N 15 115.598 0.026 . 1 . . . . 106 GLN N . 15911 1 37 . 1 1 16 16 GLU H H 1 7.409 0.004 . 1 . . . . 107 GLU H . 15911 1 38 . 1 1 16 16 GLU CA C 13 59.192 0.013 . 1 . . . . 107 GLU CA . 15911 1 39 . 1 1 16 16 GLU CB C 13 28.992 0.053 . 1 . . . . 107 GLU CB . 15911 1 40 . 1 1 16 16 GLU N N 15 118.441 0.017 . 1 . . . . 107 GLU N . 15911 1 41 . 1 1 17 17 VAL H H 1 7.763 0.003 . 1 . . . . 108 VAL H . 15911 1 42 . 1 1 17 17 VAL CA C 13 65.927 0.000 . 1 . . . . 108 VAL CA . 15911 1 43 . 1 1 17 17 VAL CB C 13 30.526 0.000 . 1 . . . . 108 VAL CB . 15911 1 44 . 1 1 17 17 VAL N N 15 120.120 0.022 . 1 . . . . 108 VAL N . 15911 1 45 . 1 1 20 20 ASP CA C 13 57.381 0.031 . 1 . . . . 111 ASP CA . 15911 1 46 . 1 1 20 20 ASP CB C 13 40.719 0.001 . 1 . . . . 111 ASP CB . 15911 1 47 . 1 1 21 21 ARG H H 1 8.225 0.003 . 1 . . . . 112 ARG H . 15911 1 48 . 1 1 21 21 ARG CA C 13 56.950 0.002 . 1 . . . . 112 ARG CA . 15911 1 49 . 1 1 21 21 ARG CB C 13 29.504 0.026 . 1 . . . . 112 ARG CB . 15911 1 50 . 1 1 21 21 ARG N N 15 121.887 0.006 . 1 . . . . 112 ARG N . 15911 1 51 . 1 1 22 22 SER H H 1 8.708 0.003 . 1 . . . . 113 SER H . 15911 1 52 . 1 1 22 22 SER CA C 13 57.595 0.116 . 1 . . . . 113 SER CA . 15911 1 53 . 1 1 22 22 SER CB C 13 66.747 0.014 . 1 . . . . 113 SER CB . 15911 1 54 . 1 1 22 22 SER N N 15 119.019 0.023 . 1 . . . . 113 SER N . 15911 1 55 . 1 1 23 23 TRP H H 1 9.136 0.004 . 1 . . . . 114 TRP H . 15911 1 56 . 1 1 23 23 TRP CA C 13 54.917 0.043 . 1 . . . . 114 TRP CA . 15911 1 57 . 1 1 23 23 TRP CB C 13 29.884 0.053 . 1 . . . . 114 TRP CB . 15911 1 58 . 1 1 23 23 TRP N N 15 120.233 0.023 . 1 . . . . 114 TRP N . 15911 1 59 . 1 1 24 24 GLN H H 1 8.451 0.003 . 1 . . . . 115 GLN H . 15911 1 60 . 1 1 24 24 GLN CA C 13 55.693 0.119 . 1 . . . . 115 GLN CA . 15911 1 61 . 1 1 24 24 GLN CB C 13 27.497 0.012 . 1 . . . . 115 GLN CB . 15911 1 62 . 1 1 24 24 GLN N N 15 121.329 0.062 . 1 . . . . 115 GLN N . 15911 1 63 . 1 1 25 25 ALA H H 1 7.394 0.005 . 1 . . . . 116 ALA H . 15911 1 64 . 1 1 25 25 ALA CA C 13 51.316 0.032 . 1 . . . . 116 ALA CA . 15911 1 65 . 1 1 25 25 ALA CB C 13 19.204 0.020 . 1 . . . . 116 ALA CB . 15911 1 66 . 1 1 25 25 ALA N N 15 127.058 0.013 . 1 . . . . 116 ALA N . 15911 1 67 . 1 1 26 26 GLY H H 1 7.959 0.003 . 1 . . . . 117 GLY H . 15911 1 68 . 1 1 26 26 GLY CA C 13 44.200 0.043 . 1 . . . . 117 GLY CA . 15911 1 69 . 1 1 26 26 GLY N N 15 107.303 0.020 . 1 . . . . 117 GLY N . 15911 1 70 . 1 1 27 27 LYS H H 1 8.104 0.004 . 1 . . . . 118 LYS H . 15911 1 71 . 1 1 27 27 LYS CA C 13 56.392 0.001 . 1 . . . . 118 LYS CA . 15911 1 72 . 1 1 27 27 LYS CB C 13 32.220 0.054 . 1 . . . . 118 LYS CB . 15911 1 73 . 1 1 27 27 LYS N N 15 123.349 0.016 . 1 . . . . 118 LYS N . 15911 1 74 . 1 1 28 28 THR H H 1 7.771 0.003 . 1 . . . . 119 THR H . 15911 1 75 . 1 1 28 28 THR CA C 13 60.003 0.042 . 1 . . . . 119 THR CA . 15911 1 76 . 1 1 28 28 THR CB C 13 71.269 0.027 . 1 . . . . 119 THR CB . 15911 1 77 . 1 1 28 28 THR N N 15 113.334 0.006 . 1 . . . . 119 THR N . 15911 1 78 . 1 1 29 29 TYR H H 1 9.154 0.002 . 1 . . . . 120 TYR H . 15911 1 79 . 1 1 29 29 TYR CA C 13 56.189 0.051 . 1 . . . . 120 TYR CA . 15911 1 80 . 1 1 29 29 TYR CB C 13 41.263 0.017 . 1 . . . . 120 TYR CB . 15911 1 81 . 1 1 29 29 TYR N N 15 120.605 0.023 . 1 . . . . 120 TYR N . 15911 1 82 . 1 1 30 30 ASN H H 1 8.561 0.001 . 1 . . . . 121 ASN H . 15911 1 83 . 1 1 30 30 ASN CA C 13 53.480 0.000 . 1 . . . . 121 ASN CA . 15911 1 84 . 1 1 30 30 ASN CB C 13 38.473 0.000 . 1 . . . . 121 ASN CB . 15911 1 85 . 1 1 30 30 ASN N N 15 123.850 0.031 . 1 . . . . 121 ASN N . 15911 1 86 . 1 1 31 31 PHE CA C 13 54.505 0.059 . 1 . . . . 122 PHE CA . 15911 1 87 . 1 1 31 31 PHE CB C 13 44.113 0.005 . 1 . . . . 122 PHE CB . 15911 1 88 . 1 1 32 32 GLY H H 1 9.074 0.002 . 1 . . . . 123 GLY H . 15911 1 89 . 1 1 32 32 GLY CA C 13 43.482 0.058 . 1 . . . . 123 GLY CA . 15911 1 90 . 1 1 32 32 GLY N N 15 109.968 0.036 . 1 . . . . 123 GLY N . 15911 1 91 . 1 1 33 33 LEU H H 1 8.622 0.005 . 1 . . . . 124 LEU H . 15911 1 92 . 1 1 33 33 LEU CA C 13 52.771 0.037 . 1 . . . . 124 LEU CA . 15911 1 93 . 1 1 33 33 LEU CB C 13 44.690 0.063 . 1 . . . . 124 LEU CB . 15911 1 94 . 1 1 33 33 LEU N N 15 124.614 0.024 . 1 . . . . 124 LEU N . 15911 1 95 . 1 1 34 34 TYR H H 1 9.398 0.002 . 1 . . . . 125 TYR H . 15911 1 96 . 1 1 34 34 TYR CA C 13 54.909 0.000 . 1 . . . . 125 TYR CA . 15911 1 97 . 1 1 34 34 TYR CB C 13 39.743 0.000 . 1 . . . . 125 TYR CB . 15911 1 98 . 1 1 34 34 TYR N N 15 123.664 0.012 . 1 . . . . 125 TYR N . 15911 1 99 . 1 1 35 35 PRO CA C 13 62.722 0.006 . 1 . . . . 126 PRO CA . 15911 1 100 . 1 1 35 35 PRO CB C 13 31.190 0.034 . 1 . . . . 126 PRO CB . 15911 1 101 . 1 1 36 36 ALA H H 1 7.883 0.004 . 1 . . . . 127 ALA H . 15911 1 102 . 1 1 36 36 ALA CA C 13 49.803 0.039 . 1 . . . . 127 ALA CA . 15911 1 103 . 1 1 36 36 ALA CB C 13 17.251 0.023 . 1 . . . . 127 ALA CB . 15911 1 104 . 1 1 36 36 ALA N N 15 129.042 0.026 . 1 . . . . 127 ALA N . 15911 1 105 . 1 1 37 37 GLY H H 1 8.533 0.002 . 1 . . . . 128 GLY H . 15911 1 106 . 1 1 37 37 GLY CA C 13 46.442 0.030 . 1 . . . . 128 GLY CA . 15911 1 107 . 1 1 37 37 GLY N N 15 115.787 0.008 . 1 . . . . 128 GLY N . 15911 1 108 . 1 1 38 38 ASP H H 1 8.756 0.003 . 1 . . . . 129 ASP H . 15911 1 109 . 1 1 38 38 ASP CA C 13 53.993 0.019 . 1 . . . . 129 ASP CA . 15911 1 110 . 1 1 38 38 ASP CB C 13 39.899 0.004 . 1 . . . . 129 ASP CB . 15911 1 111 . 1 1 38 38 ASP N N 15 128.872 0.035 . 1 . . . . 129 ASP N . 15911 1 112 . 1 1 39 39 GLU H H 1 7.347 0.003 . 1 . . . . 130 GLU H . 15911 1 113 . 1 1 39 39 GLU CA C 13 54.246 0.072 . 1 . . . . 130 GLU CA . 15911 1 114 . 1 1 39 39 GLU CB C 13 31.105 0.018 . 1 . . . . 130 GLU CB . 15911 1 115 . 1 1 39 39 GLU N N 15 120.896 0.010 . 1 . . . . 130 GLU N . 15911 1 116 . 1 1 40 40 TRP H H 1 8.318 0.004 . 1 . . . . 131 TRP H . 15911 1 117 . 1 1 40 40 TRP CA C 13 55.167 0.179 . 1 . . . . 131 TRP CA . 15911 1 118 . 1 1 40 40 TRP CB C 13 32.995 0.103 . 1 . . . . 131 TRP CB . 15911 1 119 . 1 1 40 40 TRP N N 15 120.769 0.074 . 1 . . . . 131 TRP N . 15911 1 120 . 1 1 41 41 GLN H H 1 9.210 0.002 . 1 . . . . 132 GLN H . 15911 1 121 . 1 1 41 41 GLN CA C 13 55.339 0.050 . 1 . . . . 132 GLN CA . 15911 1 122 . 1 1 41 41 GLN CB C 13 33.148 0.054 . 1 . . . . 132 GLN CB . 15911 1 123 . 1 1 41 41 GLN N N 15 115.314 0.015 . 1 . . . . 132 GLN N . 15911 1 124 . 1 1 42 42 LEU H H 1 8.928 0.002 . 1 . . . . 133 LEU H . 15911 1 125 . 1 1 42 42 LEU CA C 13 53.573 0.060 . 1 . . . . 133 LEU CA . 15911 1 126 . 1 1 42 42 LEU CB C 13 44.397 0.054 . 1 . . . . 133 LEU CB . 15911 1 127 . 1 1 42 42 LEU N N 15 125.631 0.016 . 1 . . . . 133 LEU N . 15911 1 128 . 1 1 43 43 ALA H H 1 9.135 0.003 . 1 . . . . 134 ALA H . 15911 1 129 . 1 1 43 43 ALA CA C 13 49.644 0.033 . 1 . . . . 134 ALA CA . 15911 1 130 . 1 1 43 43 ALA CB C 13 21.668 0.029 . 1 . . . . 134 ALA CB . 15911 1 131 . 1 1 43 43 ALA N N 15 128.632 0.057 . 1 . . . . 134 ALA N . 15911 1 132 . 1 1 44 44 LEU H H 1 8.817 0.003 . 1 . . . . 135 LEU H . 15911 1 133 . 1 1 44 44 LEU CA C 13 53.226 0.040 . 1 . . . . 135 LEU CA . 15911 1 134 . 1 1 44 44 LEU CB C 13 45.789 0.012 . 1 . . . . 135 LEU CB . 15911 1 135 . 1 1 44 44 LEU N N 15 122.421 0.007 . 1 . . . . 135 LEU N . 15911 1 136 . 1 1 45 45 SER H H 1 8.864 0.005 . 1 . . . . 136 SER H . 15911 1 137 . 1 1 45 45 SER CA C 13 56.463 0.050 . 1 . . . . 136 SER CA . 15911 1 138 . 1 1 45 45 SER CB C 13 64.845 0.016 . 1 . . . . 136 SER CB . 15911 1 139 . 1 1 45 45 SER N N 15 116.147 0.008 . 1 . . . . 136 SER N . 15911 1 140 . 1 1 46 46 ASP H H 1 8.811 0.003 . 1 . . . . 137 ASP H . 15911 1 141 . 1 1 46 46 ASP CA C 13 52.162 0.051 . 1 . . . . 137 ASP CA . 15911 1 142 . 1 1 46 46 ASP CB C 13 42.281 0.011 . 1 . . . . 137 ASP CB . 15911 1 143 . 1 1 46 46 ASP N N 15 125.593 0.021 . 1 . . . . 137 ASP N . 15911 1 144 . 1 1 47 47 GLY H H 1 8.968 0.002 . 1 . . . . 138 GLY H . 15911 1 145 . 1 1 47 47 GLY CA C 13 46.023 0.040 . 1 . . . . 138 GLY CA . 15911 1 146 . 1 1 47 47 GLY N N 15 115.822 0.019 . 1 . . . . 138 GLY N . 15911 1 147 . 1 1 48 48 GLU H H 1 8.329 0.002 . 1 . . . . 139 GLU H . 15911 1 148 . 1 1 48 48 GLU CA C 13 57.924 0.036 . 1 . . . . 139 GLU CA . 15911 1 149 . 1 1 48 48 GLU CB C 13 29.512 0.019 . 1 . . . . 139 GLU CB . 15911 1 150 . 1 1 48 48 GLU N N 15 119.870 0.011 . 1 . . . . 139 GLU N . 15911 1 151 . 1 1 49 49 THR H H 1 7.243 0.003 . 1 . . . . 140 THR H . 15911 1 152 . 1 1 49 49 THR CA C 13 61.034 0.016 . 1 . . . . 140 THR CA . 15911 1 153 . 1 1 49 49 THR CB C 13 70.776 0.018 . 1 . . . . 140 THR CB . 15911 1 154 . 1 1 49 49 THR N N 15 105.804 0.015 . 1 . . . . 140 THR N . 15911 1 155 . 1 1 50 50 GLY H H 1 8.192 0.004 . 1 . . . . 141 GLY H . 15911 1 156 . 1 1 50 50 GLY CA C 13 45.226 0.030 . 1 . . . . 141 GLY CA . 15911 1 157 . 1 1 50 50 GLY N N 15 111.934 0.010 . 1 . . . . 141 GLY N . 15911 1 158 . 1 1 51 51 LYS H H 1 7.421 0.003 . 1 . . . . 142 LYS H . 15911 1 159 . 1 1 51 51 LYS CA C 13 56.440 0.042 . 1 . . . . 142 LYS CA . 15911 1 160 . 1 1 51 51 LYS CB C 13 33.562 0.029 . 1 . . . . 142 LYS CB . 15911 1 161 . 1 1 51 51 LYS N N 15 119.843 0.035 . 1 . . . . 142 LYS N . 15911 1 162 . 1 1 52 52 ASN H H 1 8.061 0.007 . 1 . . . . 143 ASN H . 15911 1 163 . 1 1 52 52 ASN CA C 13 51.803 0.028 . 1 . . . . 143 ASN CA . 15911 1 164 . 1 1 52 52 ASN CB C 13 41.906 0.016 . 1 . . . . 143 ASN CB . 15911 1 165 . 1 1 52 52 ASN N N 15 118.976 0.033 . 1 . . . . 143 ASN N . 15911 1 166 . 1 1 53 53 TYR H H 1 8.902 0.002 . 1 . . . . 144 TYR H . 15911 1 167 . 1 1 53 53 TYR CA C 13 55.502 0.017 . 1 . . . . 144 TYR CA . 15911 1 168 . 1 1 53 53 TYR CB C 13 42.370 0.082 . 1 . . . . 144 TYR CB . 15911 1 169 . 1 1 53 53 TYR N N 15 117.290 0.015 . 1 . . . . 144 TYR N . 15911 1 170 . 1 1 54 54 LEU H H 1 9.288 0.002 . 1 . . . . 145 LEU H . 15911 1 171 . 1 1 54 54 LEU CA C 13 53.434 0.106 . 1 . . . . 145 LEU CA . 15911 1 172 . 1 1 54 54 LEU CB C 13 47.275 0.022 . 1 . . . . 145 LEU CB . 15911 1 173 . 1 1 54 54 LEU N N 15 125.471 0.017 . 1 . . . . 145 LEU N . 15911 1 174 . 1 1 55 55 SER H H 1 9.003 0.002 . 1 . . . . 146 SER H . 15911 1 175 . 1 1 55 55 SER CA C 13 57.803 0.031 . 1 . . . . 146 SER CA . 15911 1 176 . 1 1 55 55 SER CB C 13 65.672 0.015 . 1 . . . . 146 SER CB . 15911 1 177 . 1 1 55 55 SER N N 15 124.057 0.014 . 1 . . . . 146 SER N . 15911 1 178 . 1 1 56 56 ASP H H 1 8.892 0.002 . 1 . . . . 147 ASP H . 15911 1 179 . 1 1 56 56 ASP CA C 13 53.954 0.036 . 1 . . . . 147 ASP CA . 15911 1 180 . 1 1 56 56 ASP CB C 13 40.952 0.018 . 1 . . . . 147 ASP CB . 15911 1 181 . 1 1 56 56 ASP N N 15 119.254 0.013 . 1 . . . . 147 ASP N . 15911 1 182 . 1 1 57 57 ALA H H 1 8.563 0.002 . 1 . . . . 148 ALA H . 15911 1 183 . 1 1 57 57 ALA CA C 13 52.089 0.026 . 1 . . . . 148 ALA CA . 15911 1 184 . 1 1 57 57 ALA CB C 13 17.660 0.006 . 1 . . . . 148 ALA CB . 15911 1 185 . 1 1 57 57 ALA N N 15 124.924 0.017 . 1 . . . . 148 ALA N . 15911 1 186 . 1 1 58 58 PHE H H 1 9.421 0.002 . 1 . . . . 149 PHE H . 15911 1 187 . 1 1 58 58 PHE CA C 13 55.675 0.043 . 1 . . . . 149 PHE CA . 15911 1 188 . 1 1 58 58 PHE CB C 13 41.397 0.057 . 1 . . . . 149 PHE CB . 15911 1 189 . 1 1 58 58 PHE N N 15 121.433 0.004 . 1 . . . . 149 PHE N . 15911 1 190 . 1 1 59 59 LYS H H 1 8.587 0.002 . 1 . . . . 150 LYS H . 15911 1 191 . 1 1 59 59 LYS CA C 13 53.610 0.023 . 1 . . . . 150 LYS CA . 15911 1 192 . 1 1 59 59 LYS CB C 13 34.609 0.005 . 1 . . . . 150 LYS CB . 15911 1 193 . 1 1 59 59 LYS N N 15 117.856 0.012 . 1 . . . . 150 LYS N . 15911 1 194 . 1 1 60 60 PHE H H 1 8.541 0.002 . 1 . . . . 151 PHE H . 15911 1 195 . 1 1 60 60 PHE CA C 13 58.215 0.054 . 1 . . . . 151 PHE CA . 15911 1 196 . 1 1 60 60 PHE CB C 13 38.064 0.020 . 1 . . . . 151 PHE CB . 15911 1 197 . 1 1 60 60 PHE N N 15 122.107 0.075 . 1 . . . . 151 PHE N . 15911 1 198 . 1 1 61 61 GLY H H 1 8.551 0.003 . 1 . . . . 152 GLY H . 15911 1 199 . 1 1 61 61 GLY CA C 13 46.154 0.045 . 1 . . . . 152 GLY CA . 15911 1 200 . 1 1 61 61 GLY N N 15 112.402 0.025 . 1 . . . . 152 GLY N . 15911 1 201 . 1 1 62 62 GLY H H 1 8.815 0.004 . 1 . . . . 153 GLY H . 15911 1 202 . 1 1 62 62 GLY CA C 13 43.673 0.029 . 1 . . . . 153 GLY CA . 15911 1 203 . 1 1 62 62 GLY N N 15 117.112 0.022 . 1 . . . . 153 GLY N . 15911 1 204 . 1 1 63 63 GLU H H 1 8.367 0.001 . 1 . . . . 154 GLU H . 15911 1 205 . 1 1 63 63 GLU CA C 13 56.582 0.044 . 1 . . . . 154 GLU CA . 15911 1 206 . 1 1 63 63 GLU CB C 13 28.821 0.019 . 1 . . . . 154 GLU CB . 15911 1 207 . 1 1 63 63 GLU N N 15 121.027 0.027 . 1 . . . . 154 GLU N . 15911 1 208 . 1 1 64 64 GLN H H 1 7.678 0.004 . 1 . . . . 155 GLN H . 15911 1 209 . 1 1 64 64 GLN CA C 13 54.641 0.041 . 1 . . . . 155 GLN CA . 15911 1 210 . 1 1 64 64 GLN CB C 13 31.804 0.038 . 1 . . . . 155 GLN CB . 15911 1 211 . 1 1 64 64 GLN N N 15 120.956 0.008 . 1 . . . . 155 GLN N . 15911 1 212 . 1 1 65 65 LYS H H 1 8.526 0.002 . 1 . . . . 156 LYS H . 15911 1 213 . 1 1 65 65 LYS CA C 13 54.217 0.081 . 1 . . . . 156 LYS CA . 15911 1 214 . 1 1 65 65 LYS CB C 13 32.508 0.124 . 1 . . . . 156 LYS CB . 15911 1 215 . 1 1 65 65 LYS N N 15 122.991 0.028 . 1 . . . . 156 LYS N . 15911 1 216 . 1 1 66 66 LEU H H 1 8.503 0.004 . 1 . . . . 157 LEU H . 15911 1 217 . 1 1 66 66 LEU CA C 13 52.348 0.032 . 1 . . . . 157 LEU CA . 15911 1 218 . 1 1 66 66 LEU CB C 13 43.539 0.008 . 1 . . . . 157 LEU CB . 15911 1 219 . 1 1 66 66 LEU N N 15 124.517 0.016 . 1 . . . . 157 LEU N . 15911 1 220 . 1 1 67 67 GLN H H 1 8.711 0.002 . 1 . . . . 158 GLN H . 15911 1 221 . 1 1 67 67 GLN CA C 13 55.174 0.021 . 1 . . . . 158 GLN CA . 15911 1 222 . 1 1 67 67 GLN CB C 13 27.923 0.046 . 1 . . . . 158 GLN CB . 15911 1 223 . 1 1 67 67 GLN N N 15 124.159 0.022 . 1 . . . . 158 GLN N . 15911 1 224 . 1 1 68 68 LEU H H 1 8.838 0.001 . 1 . . . . 159 LEU H . 15911 1 225 . 1 1 68 68 LEU CA C 13 53.585 0.028 . 1 . . . . 159 LEU CA . 15911 1 226 . 1 1 68 68 LEU CB C 13 42.491 0.027 . 1 . . . . 159 LEU CB . 15911 1 227 . 1 1 68 68 LEU N N 15 126.757 0.064 . 1 . . . . 159 LEU N . 15911 1 228 . 1 1 69 69 LYS H H 1 8.210 0.002 . 1 . . . . 160 LYS H . 15911 1 229 . 1 1 69 69 LYS CA C 13 54.045 0.105 . 1 . . . . 160 LYS CA . 15911 1 230 . 1 1 69 69 LYS CB C 13 34.010 0.011 . 1 . . . . 160 LYS CB . 15911 1 231 . 1 1 69 69 LYS N N 15 119.940 0.026 . 1 . . . . 160 LYS N . 15911 1 232 . 1 1 70 70 GLU H H 1 9.021 0.003 . 1 . . . . 161 GLU H . 15911 1 233 . 1 1 70 70 GLU CA C 13 56.515 0.039 . 1 . . . . 161 GLU CA . 15911 1 234 . 1 1 70 70 GLU CB C 13 29.285 0.015 . 1 . . . . 161 GLU CB . 15911 1 235 . 1 1 70 70 GLU N N 15 124.897 0.028 . 1 . . . . 161 GLU N . 15911 1 236 . 1 1 71 71 THR H H 1 8.267 0.003 . 1 . . . . 162 THR H . 15911 1 237 . 1 1 71 71 THR CA C 13 59.281 0.000 . 1 . . . . 162 THR CA . 15911 1 238 . 1 1 71 71 THR CB C 13 69.780 0.000 . 1 . . . . 162 THR CB . 15911 1 239 . 1 1 71 71 THR N N 15 120.131 0.021 . 1 . . . . 162 THR N . 15911 1 240 . 1 1 72 72 THR CA C 13 62.248 0.010 . 1 . . . . 163 THR CA . 15911 1 241 . 1 1 72 72 THR CB C 13 68.574 0.010 . 1 . . . . 163 THR CB . 15911 1 242 . 1 1 73 73 ALA H H 1 7.883 0.003 . 1 . . . . 164 ALA H . 15911 1 243 . 1 1 73 73 ALA CA C 13 50.893 0.035 . 1 . . . . 164 ALA CA . 15911 1 244 . 1 1 73 73 ALA CB C 13 19.944 0.009 . 1 . . . . 164 ALA CB . 15911 1 245 . 1 1 73 73 ALA N N 15 125.360 0.023 . 1 . . . . 164 ALA N . 15911 1 246 . 1 1 74 74 GLN H H 1 8.262 0.002 . 1 . . . . 165 GLN H . 15911 1 247 . 1 1 74 74 GLN CA C 13 53.257 0.000 . 1 . . . . 165 GLN CA . 15911 1 248 . 1 1 74 74 GLN CB C 13 27.405 0.000 . 1 . . . . 165 GLN CB . 15911 1 249 . 1 1 74 74 GLN N N 15 121.117 0.032 . 1 . . . . 165 GLN N . 15911 1 250 . 1 1 75 75 PRO CA C 13 62.247 0.026 . 1 . . . . 166 PRO CA . 15911 1 251 . 1 1 75 75 PRO CB C 13 30.478 0.001 . 1 . . . . 166 PRO CB . 15911 1 252 . 1 1 76 76 GLU H H 1 8.220 0.003 . 1 . . . . 167 GLU H . 15911 1 253 . 1 1 76 76 GLU CA C 13 55.928 0.041 . 1 . . . . 167 GLU CA . 15911 1 254 . 1 1 76 76 GLU CB C 13 29.984 0.060 . 1 . . . . 167 GLU CB . 15911 1 255 . 1 1 76 76 GLU N N 15 121.122 0.028 . 1 . . . . 167 GLU N . 15911 1 256 . 1 1 77 77 GLY H H 1 8.066 0.004 . 1 . . . . 168 GLY H . 15911 1 257 . 1 1 77 77 GLY CA C 13 43.727 0.020 . 1 . . . . 168 GLY CA . 15911 1 258 . 1 1 77 77 GLY N N 15 108.633 0.018 . 1 . . . . 168 GLY N . 15911 1 259 . 1 1 78 78 GLU H H 1 8.257 0.002 . 1 . . . . 169 GLU H . 15911 1 260 . 1 1 78 78 GLU CA C 13 55.257 0.021 . 1 . . . . 169 GLU CA . 15911 1 261 . 1 1 78 78 GLU CB C 13 29.981 0.017 . 1 . . . . 169 GLU CB . 15911 1 262 . 1 1 78 78 GLU N N 15 120.471 0.015 . 1 . . . . 169 GLU N . 15911 1 263 . 1 1 79 79 ARG H H 1 8.179 0.006 . 1 . . . . 170 ARG H . 15911 1 264 . 1 1 79 79 ARG CA C 13 55.106 0.015 . 1 . . . . 170 ARG CA . 15911 1 265 . 1 1 79 79 ARG CB C 13 29.592 0.062 . 1 . . . . 170 ARG CB . 15911 1 266 . 1 1 79 79 ARG N N 15 124.787 0.036 . 1 . . . . 170 ARG N . 15911 1 267 . 1 1 80 80 ALA H H 1 8.905 0.008 . 1 . . . . 171 ALA H . 15911 1 268 . 1 1 80 80 ALA CA C 13 51.870 0.103 . 1 . . . . 171 ALA CA . 15911 1 269 . 1 1 80 80 ALA CB C 13 18.558 0.017 . 1 . . . . 171 ALA CB . 15911 1 270 . 1 1 80 80 ALA N N 15 125.544 0.050 . 1 . . . . 171 ALA N . 15911 1 271 . 1 1 81 81 ASN H H 1 8.255 0.001 . 1 . . . . 172 ASN H . 15911 1 272 . 1 1 81 81 ASN CA C 13 52.900 0.074 . 1 . . . . 172 ASN CA . 15911 1 273 . 1 1 81 81 ASN CB C 13 38.598 0.064 . 1 . . . . 172 ASN CB . 15911 1 274 . 1 1 81 81 ASN N N 15 120.067 0.004 . 1 . . . . 172 ASN N . 15911 1 275 . 1 1 82 82 LEU H H 1 7.540 0.003 . 1 . . . . 173 LEU H . 15911 1 276 . 1 1 82 82 LEU CA C 13 58.718 0.000 . 1 . . . . 173 LEU CA . 15911 1 277 . 1 1 82 82 LEU CB C 13 38.490 0.000 . 1 . . . . 173 LEU CB . 15911 1 278 . 1 1 82 82 LEU N N 15 125.796 0.041 . 1 . . . . 173 LEU N . 15911 1 279 . 1 1 84 84 VAL CA C 13 65.838 0.010 . 1 . . . . 175 VAL CA . 15911 1 280 . 1 1 84 84 VAL CB C 13 30.843 0.033 . 1 . . . . 175 VAL CB . 15911 1 281 . 1 1 85 85 ILE H H 1 7.576 0.003 . 1 . . . . 176 ILE H . 15911 1 282 . 1 1 85 85 ILE CA C 13 64.209 0.012 . 1 . . . . 176 ILE CA . 15911 1 283 . 1 1 85 85 ILE CB C 13 36.019 0.016 . 1 . . . . 176 ILE CB . 15911 1 284 . 1 1 85 85 ILE N N 15 120.935 0.020 . 1 . . . . 176 ILE N . 15911 1 285 . 1 1 86 86 THR H H 1 8.239 0.005 . 1 . . . . 177 THR H . 15911 1 286 . 1 1 86 86 THR CA C 13 66.685 0.020 . 1 . . . . 177 THR CA . 15911 1 287 . 1 1 86 86 THR CB C 13 68.096 0.005 . 1 . . . . 177 THR CB . 15911 1 288 . 1 1 86 86 THR N N 15 112.964 0.018 . 1 . . . . 177 THR N . 15911 1 289 . 1 1 87 87 GLN H H 1 8.141 0.003 . 1 . . . . 178 GLN H . 15911 1 290 . 1 1 87 87 GLN CA C 13 58.031 0.031 . 1 . . . . 178 GLN CA . 15911 1 291 . 1 1 87 87 GLN CB C 13 27.807 0.047 . 1 . . . . 178 GLN CB . 15911 1 292 . 1 1 87 87 GLN N N 15 121.726 0.015 . 1 . . . . 178 GLN N . 15911 1 293 . 1 1 88 88 ASN H H 1 7.037 0.005 . 1 . . . . 179 ASN H . 15911 1 294 . 1 1 88 88 ASN CA C 13 52.160 0.035 . 1 . . . . 179 ASN CA . 15911 1 295 . 1 1 88 88 ASN CB C 13 38.661 0.029 . 1 . . . . 179 ASN CB . 15911 1 296 . 1 1 88 88 ASN N N 15 115.293 0.014 . 1 . . . . 179 ASN N . 15911 1 297 . 1 1 89 89 ARG H H 1 6.921 0.007 . 1 . . . . 180 ARG H . 15911 1 298 . 1 1 89 89 ARG CA C 13 60.297 0.000 . 1 . . . . 180 ARG CA . 15911 1 299 . 1 1 89 89 ARG CB C 13 29.154 0.000 . 1 . . . . 180 ARG CB . 15911 1 300 . 1 1 89 89 ARG N N 15 121.325 0.024 . 1 . . . . 180 ARG N . 15911 1 301 . 1 1 90 90 GLN CA C 13 58.549 0.033 . 1 . . . . 181 GLN CA . 15911 1 302 . 1 1 90 90 GLN CB C 13 26.630 0.015 . 1 . . . . 181 GLN CB . 15911 1 303 . 1 1 91 91 ALA H H 1 7.845 0.003 . 1 . . . . 182 ALA H . 15911 1 304 . 1 1 91 91 ALA CA C 13 54.148 0.023 . 1 . . . . 182 ALA CA . 15911 1 305 . 1 1 91 91 ALA CB C 13 17.745 0.006 . 1 . . . . 182 ALA CB . 15911 1 306 . 1 1 91 91 ALA N N 15 122.194 0.028 . 1 . . . . 182 ALA N . 15911 1 307 . 1 1 92 92 LEU H H 1 8.001 0.005 . 1 . . . . 183 LEU H . 15911 1 308 . 1 1 92 92 LEU CA C 13 56.929 0.021 . 1 . . . . 183 LEU CA . 15911 1 309 . 1 1 92 92 LEU CB C 13 41.552 0.024 . 1 . . . . 183 LEU CB . 15911 1 310 . 1 1 92 92 LEU N N 15 118.716 0.029 . 1 . . . . 183 LEU N . 15911 1 311 . 1 1 93 93 SER H H 1 8.150 0.002 . 1 . . . . 184 SER H . 15911 1 312 . 1 1 93 93 SER CA C 13 60.755 0.021 . 1 . . . . 184 SER CA . 15911 1 313 . 1 1 93 93 SER CB C 13 62.339 0.008 . 1 . . . . 184 SER CB . 15911 1 314 . 1 1 93 93 SER N N 15 117.204 0.013 . 1 . . . . 184 SER N . 15911 1 315 . 1 1 94 94 ASP H H 1 7.035 0.004 . 1 . . . . 185 ASP H . 15911 1 316 . 1 1 94 94 ASP CA C 13 54.104 0.020 . 1 . . . . 185 ASP CA . 15911 1 317 . 1 1 94 94 ASP CB C 13 40.890 0.015 . 1 . . . . 185 ASP CB . 15911 1 318 . 1 1 94 94 ASP N N 15 120.270 0.017 . 1 . . . . 185 ASP N . 15911 1 319 . 1 1 95 95 ILE H H 1 7.118 0.004 . 1 . . . . 186 ILE H . 15911 1 320 . 1 1 95 95 ILE CA C 13 60.667 0.021 . 1 . . . . 186 ILE CA . 15911 1 321 . 1 1 95 95 ILE CB C 13 38.256 0.011 . 1 . . . . 186 ILE CB . 15911 1 322 . 1 1 95 95 ILE N N 15 121.966 0.017 . 1 . . . . 186 ILE N . 15911 1 323 . 1 1 96 96 THR H H 1 8.630 0.002 . 1 . . . . 187 THR H . 15911 1 324 . 1 1 96 96 THR CA C 13 62.389 0.014 . 1 . . . . 187 THR CA . 15911 1 325 . 1 1 96 96 THR CB C 13 69.127 0.004 . 1 . . . . 187 THR CB . 15911 1 326 . 1 1 96 96 THR N N 15 124.643 0.017 . 1 . . . . 187 THR N . 15911 1 327 . 1 1 97 97 ALA H H 1 8.736 0.006 . 1 . . . . 188 ALA H . 15911 1 328 . 1 1 97 97 ALA CA C 13 49.096 0.046 . 1 . . . . 188 ALA CA . 15911 1 329 . 1 1 97 97 ALA CB C 13 18.765 0.036 . 1 . . . . 188 ALA CB . 15911 1 330 . 1 1 97 97 ALA N N 15 130.349 0.036 . 1 . . . . 188 ALA N . 15911 1 331 . 1 1 98 98 ILE H H 1 8.551 0.002 . 1 . . . . 189 ILE H . 15911 1 332 . 1 1 98 98 ILE CA C 13 59.041 0.007 . 1 . . . . 189 ILE CA . 15911 1 333 . 1 1 98 98 ILE CB C 13 37.729 0.023 . 1 . . . . 189 ILE CB . 15911 1 334 . 1 1 98 98 ILE N N 15 122.451 0.051 . 1 . . . . 189 ILE N . 15911 1 335 . 1 1 99 99 LEU H H 1 8.585 0.002 . 1 . . . . 190 LEU H . 15911 1 336 . 1 1 99 99 LEU CA C 13 53.565 0.000 . 1 . . . . 190 LEU CA . 15911 1 337 . 1 1 99 99 LEU CB C 13 38.559 0.000 . 1 . . . . 190 LEU CB . 15911 1 338 . 1 1 99 99 LEU N N 15 127.645 0.057 . 1 . . . . 190 LEU N . 15911 1 339 . 1 1 100 100 PRO CA C 13 65.137 0.001 . 1 . . . . 191 PRO CA . 15911 1 340 . 1 1 100 100 PRO CB C 13 30.739 0.014 . 1 . . . . 191 PRO CB . 15911 1 341 . 1 1 101 101 ASP H H 1 7.304 0.006 . 1 . . . . 192 ASP H . 15911 1 342 . 1 1 101 101 ASP CA C 13 52.980 0.068 . 1 . . . . 192 ASP CA . 15911 1 343 . 1 1 101 101 ASP CB C 13 39.327 0.007 . 1 . . . . 192 ASP CB . 15911 1 344 . 1 1 101 101 ASP N N 15 113.755 0.014 . 1 . . . . 192 ASP N . 15911 1 345 . 1 1 102 102 GLY H H 1 8.262 0.003 . 1 . . . . 193 GLY H . 15911 1 346 . 1 1 102 102 GLY CA C 13 44.276 0.038 . 1 . . . . 193 GLY CA . 15911 1 347 . 1 1 102 102 GLY N N 15 109.448 0.018 . 1 . . . . 193 GLY N . 15911 1 348 . 1 1 103 103 ASN H H 1 8.027 0.004 . 1 . . . . 194 ASN H . 15911 1 349 . 1 1 103 103 ASN CA C 13 54.175 0.033 . 1 . . . . 194 ASN CA . 15911 1 350 . 1 1 103 103 ASN CB C 13 38.390 0.028 . 1 . . . . 194 ASN CB . 15911 1 351 . 1 1 103 103 ASN N N 15 120.747 0.025 . 1 . . . . 194 ASN N . 15911 1 352 . 1 1 104 104 LYS H H 1 8.317 0.004 . 1 . . . . 195 LYS H . 15911 1 353 . 1 1 104 104 LYS CA C 13 55.044 0.089 . 1 . . . . 195 LYS CA . 15911 1 354 . 1 1 104 104 LYS CB C 13 33.251 0.079 . 1 . . . . 195 LYS CB . 15911 1 355 . 1 1 104 104 LYS N N 15 121.246 0.057 . 1 . . . . 195 LYS N . 15911 1 356 . 1 1 105 105 VAL H H 1 9.195 0.002 . 1 . . . . 196 VAL H . 15911 1 357 . 1 1 105 105 VAL CA C 13 58.795 0.006 . 1 . . . . 196 VAL CA . 15911 1 358 . 1 1 105 105 VAL CB C 13 34.633 0.036 . 1 . . . . 196 VAL CB . 15911 1 359 . 1 1 105 105 VAL N N 15 118.384 0.063 . 1 . . . . 196 VAL N . 15911 1 360 . 1 1 106 106 MET H H 1 8.347 0.002 . 1 . . . . 197 MET H . 15911 1 361 . 1 1 106 106 MET CA C 13 54.316 0.052 . 1 . . . . 197 MET CA . 15911 1 362 . 1 1 106 106 MET CB C 13 37.351 0.012 . 1 . . . . 197 MET CB . 15911 1 363 . 1 1 106 106 MET N N 15 118.647 0.016 . 1 . . . . 197 MET N . 15911 1 364 . 1 1 107 107 MET H H 1 9.118 0.004 . 1 . . . . 198 MET H . 15911 1 365 . 1 1 107 107 MET CA C 13 57.738 0.016 . 1 . . . . 198 MET CA . 15911 1 366 . 1 1 107 107 MET CB C 13 32.131 0.007 . 1 . . . . 198 MET CB . 15911 1 367 . 1 1 107 107 MET N N 15 125.405 0.019 . 1 . . . . 198 MET N . 15911 1 368 . 1 1 108 108 SER H H 1 9.052 0.005 . 1 . . . . 199 SER H . 15911 1 369 . 1 1 108 108 SER CA C 13 57.514 0.033 . 1 . . . . 199 SER CA . 15911 1 370 . 1 1 108 108 SER CB C 13 64.329 0.017 . 1 . . . . 199 SER CB . 15911 1 371 . 1 1 108 108 SER N N 15 122.131 0.024 . 1 . . . . 199 SER N . 15911 1 372 . 1 1 109 109 SER H H 1 8.552 0.002 . 1 . . . . 200 SER H . 15911 1 373 . 1 1 109 109 SER CA C 13 56.712 0.030 . 1 . . . . 200 SER CA . 15911 1 374 . 1 1 109 109 SER CB C 13 64.688 0.016 . 1 . . . . 200 SER CB . 15911 1 375 . 1 1 109 109 SER N N 15 120.009 0.021 . 1 . . . . 200 SER N . 15911 1 376 . 1 1 110 110 LEU H H 1 8.141 0.003 . 1 . . . . 201 LEU H . 15911 1 377 . 1 1 110 110 LEU CA C 13 56.622 0.059 . 1 . . . . 201 LEU CA . 15911 1 378 . 1 1 110 110 LEU CB C 13 40.433 0.038 . 1 . . . . 201 LEU CB . 15911 1 379 . 1 1 110 110 LEU N N 15 113.947 0.043 . 1 . . . . 201 LEU N . 15911 1 380 . 1 1 111 111 ARG H H 1 7.792 0.004 . 1 . . . . 202 ARG H . 15911 1 381 . 1 1 111 111 ARG CA C 13 54.821 0.054 . 1 . . . . 202 ARG CA . 15911 1 382 . 1 1 111 111 ARG CB C 13 32.857 0.018 . 1 . . . . 202 ARG CB . 15911 1 383 . 1 1 111 111 ARG N N 15 110.839 0.036 . 1 . . . . 202 ARG N . 15911 1 384 . 1 1 112 112 GLN H H 1 7.757 0.005 . 1 . . . . 203 GLN H . 15911 1 385 . 1 1 112 112 GLN CA C 13 55.326 0.055 . 1 . . . . 203 GLN CA . 15911 1 386 . 1 1 112 112 GLN CB C 13 32.845 0.006 . 1 . . . . 203 GLN CB . 15911 1 387 . 1 1 112 112 GLN N N 15 118.390 0.013 . 1 . . . . 203 GLN N . 15911 1 388 . 1 1 113 113 PHE H H 1 9.432 0.002 . 1 . . . . 204 PHE H . 15911 1 389 . 1 1 113 113 PHE CA C 13 55.679 0.018 . 1 . . . . 204 PHE CA . 15911 1 390 . 1 1 113 113 PHE CB C 13 42.206 0.016 . 1 . . . . 204 PHE CB . 15911 1 391 . 1 1 113 113 PHE N N 15 122.408 0.025 . 1 . . . . 204 PHE N . 15911 1 392 . 1 1 114 114 SER H H 1 9.445 0.003 . 1 . . . . 205 SER H . 15911 1 393 . 1 1 114 114 SER CA C 13 56.799 0.047 . 1 . . . . 205 SER CA . 15911 1 394 . 1 1 114 114 SER CB C 13 66.009 0.011 . 1 . . . . 205 SER CB . 15911 1 395 . 1 1 114 114 SER N N 15 113.313 0.043 . 1 . . . . 205 SER N . 15911 1 396 . 1 1 115 115 GLY H H 1 8.897 0.000 . 1 . . . . 206 GLY H . 15911 1 397 . 1 1 115 115 GLY CA C 13 45.376 0.067 . 1 . . . . 206 GLY CA . 15911 1 398 . 1 1 115 115 GLY N N 15 111.032 0.000 . 1 . . . . 206 GLY N . 15911 1 399 . 1 1 116 116 THR H H 1 8.080 0.003 . 1 . . . . 207 THR H . 15911 1 400 . 1 1 116 116 THR CA C 13 59.682 0.053 . 1 . . . . 207 THR CA . 15911 1 401 . 1 1 116 116 THR CB C 13 71.914 0.011 . 1 . . . . 207 THR CB . 15911 1 402 . 1 1 116 116 THR N N 15 111.627 0.023 . 1 . . . . 207 THR N . 15911 1 403 . 1 1 117 117 GLN H H 1 8.485 0.003 . 1 . . . . 208 GLN H . 15911 1 404 . 1 1 117 117 GLN CA C 13 52.421 0.000 . 1 . . . . 208 GLN CA . 15911 1 405 . 1 1 117 117 GLN CB C 13 30.003 0.000 . 1 . . . . 208 GLN CB . 15911 1 406 . 1 1 117 117 GLN N N 15 120.698 0.062 . 1 . . . . 208 GLN N . 15911 1 407 . 1 1 118 118 PRO CA C 13 62.824 0.001 . 1 . . . . 209 PRO CA . 15911 1 408 . 1 1 118 118 PRO CB C 13 31.299 0.026 . 1 . . . . 209 PRO CB . 15911 1 409 . 1 1 119 119 LEU H H 1 8.306 0.003 . 1 . . . . 210 LEU H . 15911 1 410 . 1 1 119 119 LEU CA C 13 56.298 0.115 . 1 . . . . 210 LEU CA . 15911 1 411 . 1 1 119 119 LEU CB C 13 42.151 0.008 . 1 . . . . 210 LEU CB . 15911 1 412 . 1 1 119 119 LEU N N 15 127.832 0.019 . 1 . . . . 210 LEU N . 15911 1 413 . 1 1 120 120 TYR H H 1 8.929 0.003 . 1 . . . . 211 TYR H . 15911 1 414 . 1 1 120 120 TYR CA C 13 55.336 0.026 . 1 . . . . 211 TYR CA . 15911 1 415 . 1 1 120 120 TYR CB C 13 41.939 0.013 . 1 . . . . 211 TYR CB . 15911 1 416 . 1 1 120 120 TYR N N 15 114.993 0.013 . 1 . . . . 211 TYR N . 15911 1 417 . 1 1 121 121 THR H H 1 8.566 0.002 . 1 . . . . 212 THR H . 15911 1 418 . 1 1 121 121 THR CA C 13 61.667 0.017 . 1 . . . . 212 THR CA . 15911 1 419 . 1 1 121 121 THR CB C 13 70.905 0.009 . 1 . . . . 212 THR CB . 15911 1 420 . 1 1 121 121 THR N N 15 115.854 0.012 . 1 . . . . 212 THR N . 15911 1 421 . 1 1 122 122 LEU H H 1 8.935 0.001 . 1 . . . . 213 LEU H . 15911 1 422 . 1 1 122 122 LEU CA C 13 53.553 0.021 . 1 . . . . 213 LEU CA . 15911 1 423 . 1 1 122 122 LEU CB C 13 43.321 0.004 . 1 . . . . 213 LEU CB . 15911 1 424 . 1 1 122 122 LEU N N 15 130.976 0.021 . 1 . . . . 213 LEU N . 15911 1 425 . 1 1 123 123 ASP H H 1 8.721 0.002 . 1 . . . . 214 ASP H . 15911 1 426 . 1 1 123 123 ASP CA C 13 52.558 0.076 . 1 . . . . 214 ASP CA . 15911 1 427 . 1 1 123 123 ASP CB C 13 42.508 0.050 . 1 . . . . 214 ASP CB . 15911 1 428 . 1 1 123 123 ASP N N 15 128.389 0.043 . 1 . . . . 214 ASP N . 15911 1 429 . 1 1 124 124 GLY H H 1 8.765 0.003 . 1 . . . . 215 GLY H . 15911 1 430 . 1 1 124 124 GLY CA C 13 46.423 0.035 . 1 . . . . 215 GLY CA . 15911 1 431 . 1 1 124 124 GLY N N 15 109.355 0.019 . 1 . . . . 215 GLY N . 15911 1 432 . 1 1 125 125 ASP H H 1 8.176 0.004 . 1 . . . . 216 ASP H . 15911 1 433 . 1 1 125 125 ASP CA C 13 53.030 0.042 . 1 . . . . 216 ASP CA . 15911 1 434 . 1 1 125 125 ASP CB C 13 39.794 0.026 . 1 . . . . 216 ASP CB . 15911 1 435 . 1 1 125 125 ASP N N 15 118.715 0.034 . 1 . . . . 216 ASP N . 15911 1 436 . 1 1 126 126 GLY H H 1 8.098 0.005 . 1 . . . . 217 GLY H . 15911 1 437 . 1 1 126 126 GLY CA C 13 44.641 0.083 . 1 . . . . 217 GLY CA . 15911 1 438 . 1 1 126 126 GLY N N 15 109.243 0.028 . 1 . . . . 217 GLY N . 15911 1 439 . 1 1 127 127 THR H H 1 8.281 0.002 . 1 . . . . 218 THR H . 15911 1 440 . 1 1 127 127 THR CA C 13 64.164 0.008 . 1 . . . . 218 THR CA . 15911 1 441 . 1 1 127 127 THR CB C 13 68.357 0.043 . 1 . . . . 218 THR CB . 15911 1 442 . 1 1 127 127 THR N N 15 120.487 0.010 . 1 . . . . 218 THR N . 15911 1 443 . 1 1 128 128 LEU H H 1 9.235 0.002 . 1 . . . . 219 LEU H . 15911 1 444 . 1 1 128 128 LEU CA C 13 52.684 0.046 . 1 . . . . 219 LEU CA . 15911 1 445 . 1 1 128 128 LEU CB C 13 44.179 0.014 . 1 . . . . 219 LEU CB . 15911 1 446 . 1 1 128 128 LEU N N 15 129.480 0.034 . 1 . . . . 219 LEU N . 15911 1 447 . 1 1 129 129 THR H H 1 8.969 0.002 . 1 . . . . 220 THR H . 15911 1 448 . 1 1 129 129 THR CA C 13 61.880 0.040 . 1 . . . . 220 THR CA . 15911 1 449 . 1 1 129 129 THR CB C 13 70.099 0.006 . 1 . . . . 220 THR CB . 15911 1 450 . 1 1 129 129 THR N N 15 120.528 0.007 . 1 . . . . 220 THR N . 15911 1 451 . 1 1 130 130 ASN H H 1 9.274 0.002 . 1 . . . . 221 ASN H . 15911 1 452 . 1 1 130 130 ASN CA C 13 52.815 0.094 . 1 . . . . 221 ASN CA . 15911 1 453 . 1 1 130 130 ASN CB C 13 38.806 0.016 . 1 . . . . 221 ASN CB . 15911 1 454 . 1 1 130 130 ASN N N 15 125.896 0.036 . 1 . . . . 221 ASN N . 15911 1 455 . 1 1 131 131 ASN H H 1 9.510 0.002 . 1 . . . . 222 ASN H . 15911 1 456 . 1 1 131 131 ASN CA C 13 54.778 0.033 . 1 . . . . 222 ASN CA . 15911 1 457 . 1 1 131 131 ASN CB C 13 38.589 0.008 . 1 . . . . 222 ASN CB . 15911 1 458 . 1 1 131 131 ASN N N 15 127.757 0.020 . 1 . . . . 222 ASN N . 15911 1 459 . 1 1 132 132 GLN H H 1 8.362 0.002 . 1 . . . . 223 GLN H . 15911 1 460 . 1 1 132 132 GLN CA C 13 57.015 0.003 . 1 . . . . 223 GLN CA . 15911 1 461 . 1 1 132 132 GLN CB C 13 27.047 0.015 . 1 . . . . 223 GLN CB . 15911 1 462 . 1 1 132 132 GLN N N 15 120.516 0.025 . 1 . . . . 223 GLN N . 15911 1 463 . 1 1 133 133 SER H H 1 8.058 0.003 . 1 . . . . 224 SER H . 15911 1 464 . 1 1 133 133 SER CA C 13 57.383 0.066 . 1 . . . . 224 SER CA . 15911 1 465 . 1 1 133 133 SER CB C 13 65.114 0.013 . 1 . . . . 224 SER CB . 15911 1 466 . 1 1 133 133 SER N N 15 113.699 0.012 . 1 . . . . 224 SER N . 15911 1 467 . 1 1 134 134 GLY H H 1 8.308 0.003 . 1 . . . . 225 GLY H . 15911 1 468 . 1 1 134 134 GLY CA C 13 45.152 0.034 . 1 . . . . 225 GLY CA . 15911 1 469 . 1 1 134 134 GLY N N 15 114.008 0.016 . 1 . . . . 225 GLY N . 15911 1 470 . 1 1 135 135 VAL H H 1 7.506 0.003 . 1 . . . . 226 VAL H . 15911 1 471 . 1 1 135 135 VAL CA C 13 63.806 0.049 . 1 . . . . 226 VAL CA . 15911 1 472 . 1 1 135 135 VAL CB C 13 31.486 0.041 . 1 . . . . 226 VAL CB . 15911 1 473 . 1 1 135 135 VAL N N 15 123.371 0.018 . 1 . . . . 226 VAL N . 15911 1 474 . 1 1 136 136 LYS H H 1 8.208 0.002 . 1 . . . . 227 LYS H . 15911 1 475 . 1 1 136 136 LYS CA C 13 54.804 0.059 . 1 . . . . 227 LYS CA . 15911 1 476 . 1 1 136 136 LYS CB C 13 34.581 0.017 . 1 . . . . 227 LYS CB . 15911 1 477 . 1 1 136 136 LYS N N 15 126.044 0.024 . 1 . . . . 227 LYS N . 15911 1 478 . 1 1 137 137 TYR H H 1 9.215 0.001 . 1 . . . . 228 TYR H . 15911 1 479 . 1 1 137 137 TYR CA C 13 55.576 0.107 . 1 . . . . 228 TYR CA . 15911 1 480 . 1 1 137 137 TYR CB C 13 41.618 0.085 . 1 . . . . 228 TYR CB . 15911 1 481 . 1 1 137 137 TYR N N 15 116.267 0.075 . 1 . . . . 228 TYR N . 15911 1 482 . 1 1 138 138 ARG H H 1 9.403 0.004 . 1 . . . . 229 ARG H . 15911 1 483 . 1 1 138 138 ARG CA C 13 53.263 0.000 . 1 . . . . 229 ARG CA . 15911 1 484 . 1 1 138 138 ARG CB C 13 32.163 0.000 . 1 . . . . 229 ARG CB . 15911 1 485 . 1 1 138 138 ARG N N 15 121.407 0.025 . 1 . . . . 229 ARG N . 15911 1 486 . 1 1 139 139 PRO CA C 13 65.990 0.025 . 1 . . . . 230 PRO CA . 15911 1 487 . 1 1 139 139 PRO CB C 13 30.511 0.004 . 1 . . . . 230 PRO CB . 15911 1 488 . 1 1 140 140 ASN H H 1 7.746 0.002 . 1 . . . . 231 ASN H . 15911 1 489 . 1 1 140 140 ASN CA C 13 57.982 0.006 . 1 . . . . 231 ASN CA . 15911 1 490 . 1 1 140 140 ASN CB C 13 39.879 0.020 . 1 . . . . 231 ASN CB . 15911 1 491 . 1 1 140 140 ASN N N 15 121.111 0.023 . 1 . . . . 231 ASN N . 15911 1 492 . 1 1 141 141 ASN H H 1 8.232 0.004 . 1 . . . . 232 ASN H . 15911 1 493 . 1 1 141 141 ASN CA C 13 56.335 0.051 . 1 . . . . 232 ASN CA . 15911 1 494 . 1 1 141 141 ASN CB C 13 40.236 0.011 . 1 . . . . 232 ASN CB . 15911 1 495 . 1 1 141 141 ASN N N 15 118.157 0.039 . 1 . . . . 232 ASN N . 15911 1 496 . 1 1 142 142 GLN H H 1 7.448 0.004 . 1 . . . . 233 GLN H . 15911 1 497 . 1 1 142 142 GLN CA C 13 56.740 0.000 . 1 . . . . 233 GLN CA . 15911 1 498 . 1 1 142 142 GLN CB C 13 29.053 0.000 . 1 . . . . 233 GLN CB . 15911 1 499 . 1 1 142 142 GLN N N 15 119.788 0.017 . 1 . . . . 233 GLN N . 15911 1 500 . 1 1 143 143 ILE H H 1 6.392 0.000 . 1 . . . . 234 ILE H . 15911 1 501 . 1 1 143 143 ILE N N 15 106.264 0.000 . 1 . . . . 234 ILE N . 15911 1 502 . 1 1 144 144 GLY CA C 13 45.225 0.039 . 1 . . . . 235 GLY CA . 15911 1 503 . 1 1 145 145 PHE H H 1 6.832 0.004 . 1 . . . . 236 PHE H . 15911 1 504 . 1 1 145 145 PHE CA C 13 57.241 0.001 . 1 . . . . 236 PHE CA . 15911 1 505 . 1 1 145 145 PHE CB C 13 43.113 0.017 . 1 . . . . 236 PHE CB . 15911 1 506 . 1 1 145 145 PHE N N 15 112.827 0.024 . 1 . . . . 236 PHE N . 15911 1 507 . 1 1 146 146 TYR H H 1 9.717 0.000 . 1 . . . . 237 TYR H . 15911 1 508 . 1 1 146 146 TYR CA C 13 60.756 0.018 . 1 . . . . 237 TYR CA . 15911 1 509 . 1 1 146 146 TYR CB C 13 38.906 0.035 . 1 . . . . 237 TYR CB . 15911 1 510 . 1 1 146 146 TYR N N 15 121.644 0.004 . 1 . . . . 237 TYR N . 15911 1 511 . 1 1 147 147 GLN H H 1 9.213 0.002 . 1 . . . . 238 GLN H . 15911 1 512 . 1 1 147 147 GLN CA C 13 53.716 0.021 . 1 . . . . 238 GLN CA . 15911 1 513 . 1 1 147 147 GLN CB C 13 30.835 0.007 . 1 . . . . 238 GLN CB . 15911 1 514 . 1 1 147 147 GLN N N 15 126.662 0.019 . 1 . . . . 238 GLN N . 15911 1 515 . 1 1 148 148 SER H H 1 9.173 0.002 . 1 . . . . 239 SER H . 15911 1 516 . 1 1 148 148 SER CA C 13 57.891 0.050 . 1 . . . . 239 SER CA . 15911 1 517 . 1 1 148 148 SER CB C 13 63.561 0.002 . 1 . . . . 239 SER CB . 15911 1 518 . 1 1 148 148 SER N N 15 122.521 0.013 . 1 . . . . 239 SER N . 15911 1 519 . 1 1 149 149 ILE H H 1 7.876 0.003 . 1 . . . . 240 ILE H . 15911 1 520 . 1 1 149 149 ILE CA C 13 57.838 0.047 . 1 . . . . 240 ILE CA . 15911 1 521 . 1 1 149 149 ILE CB C 13 40.427 0.024 . 1 . . . . 240 ILE CB . 15911 1 522 . 1 1 149 149 ILE N N 15 114.516 0.019 . 1 . . . . 240 ILE N . 15911 1 523 . 1 1 150 150 THR H H 1 8.766 0.003 . 1 . . . . 241 THR H . 15911 1 524 . 1 1 150 150 THR CA C 13 59.982 0.000 . 1 . . . . 241 THR CA . 15911 1 525 . 1 1 150 150 THR CB C 13 70.465 0.000 . 1 . . . . 241 THR CB . 15911 1 526 . 1 1 150 150 THR N N 15 115.124 0.012 . 1 . . . . 241 THR N . 15911 1 527 . 1 1 151 151 ALA CA C 13 54.529 0.008 . 1 . . . . 242 ALA CA . 15911 1 528 . 1 1 151 151 ALA CB C 13 17.407 0.006 . 1 . . . . 242 ALA CB . 15911 1 529 . 1 1 152 152 ASP H H 1 7.726 0.004 . 1 . . . . 243 ASP H . 15911 1 530 . 1 1 152 152 ASP CA C 13 52.738 0.045 . 1 . . . . 243 ASP CA . 15911 1 531 . 1 1 152 152 ASP CB C 13 39.727 0.019 . 1 . . . . 243 ASP CB . 15911 1 532 . 1 1 152 152 ASP N N 15 113.780 0.010 . 1 . . . . 243 ASP N . 15911 1 533 . 1 1 153 153 GLY H H 1 7.878 0.003 . 1 . . . . 244 GLY H . 15911 1 534 . 1 1 153 153 GLY CA C 13 44.841 0.028 . 1 . . . . 244 GLY CA . 15911 1 535 . 1 1 153 153 GLY N N 15 108.057 0.026 . 1 . . . . 244 GLY N . 15911 1 536 . 1 1 154 154 ASN H H 1 7.293 0.003 . 1 . . . . 245 ASN H . 15911 1 537 . 1 1 154 154 ASN CA C 13 51.869 0.035 . 1 . . . . 245 ASN CA . 15911 1 538 . 1 1 154 154 ASN CB C 13 39.378 0.016 . 1 . . . . 245 ASN CB . 15911 1 539 . 1 1 154 154 ASN N N 15 119.074 0.013 . 1 . . . . 245 ASN N . 15911 1 540 . 1 1 155 155 TRP H H 1 8.078 0.005 . 1 . . . . 246 TRP H . 15911 1 541 . 1 1 155 155 TRP CA C 13 57.183 0.051 . 1 . . . . 246 TRP CA . 15911 1 542 . 1 1 155 155 TRP CB C 13 29.969 0.037 . 1 . . . . 246 TRP CB . 15911 1 543 . 1 1 155 155 TRP N N 15 119.050 0.010 . 1 . . . . 246 TRP N . 15911 1 544 . 1 1 156 156 GLY H H 1 9.531 0.002 . 1 . . . . 247 GLY H . 15911 1 545 . 1 1 156 156 GLY CA C 13 43.006 0.038 . 1 . . . . 247 GLY CA . 15911 1 546 . 1 1 156 156 GLY N N 15 114.153 0.014 . 1 . . . . 247 GLY N . 15911 1 547 . 1 1 157 157 ASP H H 1 7.876 0.002 . 1 . . . . 248 ASP H . 15911 1 548 . 1 1 157 157 ASP CA C 13 54.655 0.029 . 1 . . . . 248 ASP CA . 15911 1 549 . 1 1 157 157 ASP CB C 13 41.489 0.004 . 1 . . . . 248 ASP CB . 15911 1 550 . 1 1 157 157 ASP N N 15 116.196 0.013 . 1 . . . . 248 ASP N . 15911 1 551 . 1 1 158 158 GLU H H 1 7.741 0.005 . 1 . . . . 249 GLU H . 15911 1 552 . 1 1 158 158 GLU CA C 13 55.876 0.061 . 1 . . . . 249 GLU CA . 15911 1 553 . 1 1 158 158 GLU CB C 13 31.079 0.026 . 1 . . . . 249 GLU CB . 15911 1 554 . 1 1 158 158 GLU N N 15 121.394 0.045 . 1 . . . . 249 GLU N . 15911 1 555 . 1 1 159 159 LYS H H 1 8.508 0.002 . 1 . . . . 250 LYS H . 15911 1 556 . 1 1 159 159 LYS CA C 13 54.595 0.019 . 1 . . . . 250 LYS CA . 15911 1 557 . 1 1 159 159 LYS CB C 13 32.999 0.023 . 1 . . . . 250 LYS CB . 15911 1 558 . 1 1 159 159 LYS N N 15 125.660 0.012 . 1 . . . . 250 LYS N . 15911 1 559 . 1 1 160 160 LEU H H 1 8.381 0.003 . 1 . . . . 251 LEU H . 15911 1 560 . 1 1 160 160 LEU CA C 13 53.334 0.017 . 1 . . . . 251 LEU CA . 15911 1 561 . 1 1 160 160 LEU CB C 13 41.403 0.013 . 1 . . . . 251 LEU CB . 15911 1 562 . 1 1 160 160 LEU N N 15 122.365 0.012 . 1 . . . . 251 LEU N . 15911 1 563 . 1 1 161 161 SER H H 1 8.349 0.002 . 1 . . . . 252 SER H . 15911 1 564 . 1 1 161 161 SER CA C 13 54.771 0.000 . 1 . . . . 252 SER CA . 15911 1 565 . 1 1 161 161 SER CB C 13 63.618 0.000 . 1 . . . . 252 SER CB . 15911 1 566 . 1 1 161 161 SER N N 15 118.677 0.014 . 1 . . . . 252 SER N . 15911 1 567 . 1 1 162 162 PRO CA C 13 62.078 0.039 . 1 . . . . 253 PRO CA . 15911 1 568 . 1 1 162 162 PRO CB C 13 34.212 0.009 . 1 . . . . 253 PRO CB . 15911 1 569 . 1 1 163 163 GLY H H 1 8.040 0.005 . 1 . . . . 254 GLY H . 15911 1 570 . 1 1 163 163 GLY CA C 13 44.292 0.045 . 1 . . . . 254 GLY CA . 15911 1 571 . 1 1 163 163 GLY N N 15 106.203 0.023 . 1 . . . . 254 GLY N . 15911 1 572 . 1 1 164 164 TYR H H 1 7.979 0.003 . 1 . . . . 255 TYR H . 15911 1 573 . 1 1 164 164 TYR CA C 13 54.164 0.032 . 1 . . . . 255 TYR CA . 15911 1 574 . 1 1 164 164 TYR CB C 13 40.251 0.011 . 1 . . . . 255 TYR CB . 15911 1 575 . 1 1 164 164 TYR N N 15 114.804 0.029 . 1 . . . . 255 TYR N . 15911 1 576 . 1 1 165 165 THR H H 1 8.363 0.002 . 1 . . . . 256 THR H . 15911 1 577 . 1 1 165 165 THR CA C 13 61.414 0.032 . 1 . . . . 256 THR CA . 15911 1 578 . 1 1 165 165 THR CB C 13 69.562 0.008 . 1 . . . . 256 THR CB . 15911 1 579 . 1 1 165 165 THR N N 15 113.934 0.036 . 1 . . . . 256 THR N . 15911 1 580 . 1 1 166 166 VAL H H 1 8.210 0.006 . 1 . . . . 257 VAL H . 15911 1 581 . 1 1 166 166 VAL CA C 13 61.095 0.000 . 1 . . . . 257 VAL CA . 15911 1 582 . 1 1 166 166 VAL CB C 13 32.064 0.000 . 1 . . . . 257 VAL CB . 15911 1 583 . 1 1 166 166 VAL N N 15 123.888 0.045 . 1 . . . . 257 VAL N . 15911 1 584 . 1 1 168 168 THR CA C 13 61.110 0.000 . 1 . . . . 259 THR CA . 15911 1 585 . 1 1 168 168 THR CB C 13 69.440 0.010 . 1 . . . . 259 THR CB . 15911 1 586 . 1 1 169 169 GLY H H 1 7.938 0.015 . 1 . . . . 260 GLY H . 15911 1 587 . 1 1 169 169 GLY CA C 13 45.629 0.000 . 1 . . . . 260 GLY CA . 15911 1 588 . 1 1 169 169 GLY N N 15 117.937 0.023 . 1 . . . . 260 GLY N . 15911 1 589 . 1 1 170 170 TRP H H 1 7.796 0.000 . 1 . . . . 261 TRP H . 15911 1 590 . 1 1 170 170 TRP CA C 13 56.850 0.010 . 1 . . . . 261 TRP CA . 15911 1 591 . 1 1 170 170 TRP CB C 13 28.811 0.021 . 1 . . . . 261 TRP CB . 15911 1 592 . 1 1 170 170 TRP N N 15 121.607 0.014 . 1 . . . . 261 TRP N . 15911 1 593 . 1 1 171 171 LYS H H 1 7.806 0.003 . 1 . . . . 262 LYS H . 15911 1 594 . 1 1 171 171 LYS CA C 13 55.425 0.000 . 1 . . . . 262 LYS CA . 15911 1 595 . 1 1 171 171 LYS CB C 13 32.218 0.000 . 1 . . . . 262 LYS CB . 15911 1 596 . 1 1 171 171 LYS N N 15 123.603 0.034 . 1 . . . . 262 LYS N . 15911 1 597 . 1 1 172 172 ASN CA C 13 52.796 0.000 . 1 . . . . 263 ASN CA . 15911 1 598 . 1 1 172 172 ASN CB C 13 38.292 0.000 . 1 . . . . 263 ASN CB . 15911 1 599 . 1 1 173 173 PHE H H 1 7.447 0.004 . 1 . . . . 264 PHE H . 15911 1 600 . 1 1 173 173 PHE CA C 13 57.603 0.000 . 1 . . . . 264 PHE CA . 15911 1 601 . 1 1 173 173 PHE CB C 13 38.594 0.567 . 1 . . . . 264 PHE CB . 15911 1 602 . 1 1 173 173 PHE N N 15 125.162 0.030 . 1 . . . . 264 PHE N . 15911 1 603 . 1 1 174 174 THR H H 1 7.581 0.003 . 1 . . . . 265 THR H . 15911 1 604 . 1 1 174 174 THR CA C 13 62.734 0.000 . 1 . . . . 265 THR CA . 15911 1 605 . 1 1 174 174 THR CB C 13 70.407 0.000 . 1 . . . . 265 THR CB . 15911 1 606 . 1 1 174 174 THR N N 15 120.963 0.025 . 1 . . . . 265 THR N . 15911 1 607 . 1 1 175 175 ARG CA C 13 55.594 0.000 . 1 . . . . 266 ARG CA . 15911 1 608 . 1 1 175 175 ARG CB C 13 30.062 0.120 . 1 . . . . 266 ARG CB . 15911 1 609 . 1 1 176 176 VAL H H 1 8.155 0.004 . 1 . . . . 267 VAL H . 15911 1 610 . 1 1 176 176 VAL CA C 13 61.571 0.053 . 1 . . . . 267 VAL CA . 15911 1 611 . 1 1 176 176 VAL CB C 13 31.966 0.000 . 1 . . . . 267 VAL CB . 15911 1 612 . 1 1 176 176 VAL N N 15 123.502 0.002 . 1 . . . . 267 VAL N . 15911 1 613 . 1 1 177 177 PHE H H 1 8.360 0.004 . 1 . . . . 268 PHE H . 15911 1 614 . 1 1 177 177 PHE CA C 13 57.297 0.024 . 1 . . . . 268 PHE CA . 15911 1 615 . 1 1 177 177 PHE CB C 13 38.938 0.027 . 1 . . . . 268 PHE CB . 15911 1 616 . 1 1 177 177 PHE N N 15 125.033 0.072 . 1 . . . . 268 PHE N . 15911 1 617 . 1 1 178 178 THR H H 1 8.011 0.002 . 1 . . . . 269 THR H . 15911 1 618 . 1 1 178 178 THR CA C 13 61.141 0.013 . 1 . . . . 269 THR CA . 15911 1 619 . 1 1 178 178 THR CB C 13 69.062 0.090 . 1 . . . . 269 THR CB . 15911 1 620 . 1 1 178 178 THR N N 15 116.300 0.011 . 1 . . . . 269 THR N . 15911 1 621 . 1 1 179 179 ASP H H 1 8.206 0.005 . 1 . . . . 270 ASP H . 15911 1 622 . 1 1 179 179 ASP CA C 13 54.091 0.011 . 1 . . . . 270 ASP CA . 15911 1 623 . 1 1 179 179 ASP CB C 13 40.529 0.009 . 1 . . . . 270 ASP CB . 15911 1 624 . 1 1 179 179 ASP N N 15 123.004 0.005 . 1 . . . . 270 ASP N . 15911 1 625 . 1 1 180 180 GLU H H 1 8.291 0.002 . 1 . . . . 271 GLU H . 15911 1 626 . 1 1 180 180 GLU CA C 13 56.570 0.055 . 1 . . . . 271 GLU CA . 15911 1 627 . 1 1 180 180 GLU CB C 13 29.294 0.030 . 1 . . . . 271 GLU CB . 15911 1 628 . 1 1 180 180 GLU N N 15 122.019 0.028 . 1 . . . . 271 GLU N . 15911 1 629 . 1 1 181 181 GLY H H 1 8.353 0.003 . 1 . . . . 272 GLY H . 15911 1 630 . 1 1 181 181 GLY CA C 13 44.909 0.018 . 1 . . . . 272 GLY CA . 15911 1 631 . 1 1 181 181 GLY N N 15 110.039 0.028 . 1 . . . . 272 GLY N . 15911 1 632 . 1 1 182 182 ILE H H 1 7.696 0.004 . 1 . . . . 273 ILE H . 15911 1 633 . 1 1 182 182 ILE CA C 13 60.555 0.022 . 1 . . . . 273 ILE CA . 15911 1 634 . 1 1 182 182 ILE CB C 13 37.715 0.013 . 1 . . . . 273 ILE CB . 15911 1 635 . 1 1 182 182 ILE N N 15 120.432 0.010 . 1 . . . . 273 ILE N . 15911 1 636 . 1 1 183 183 GLN H H 1 8.339 0.003 . 1 . . . . 274 GLN H . 15911 1 637 . 1 1 183 183 GLN CA C 13 55.314 0.008 . 1 . . . . 274 GLN CA . 15911 1 638 . 1 1 183 183 GLN CB C 13 28.474 0.010 . 1 . . . . 274 GLN CB . 15911 1 639 . 1 1 183 183 GLN N N 15 125.899 0.023 . 1 . . . . 274 GLN N . 15911 1 640 . 1 1 184 184 LYS H H 1 7.960 0.004 . 1 . . . . 275 LYS H . 15911 1 641 . 1 1 184 184 LYS CA C 13 57.214 0.000 . 1 . . . . 275 LYS CA . 15911 1 642 . 1 1 184 184 LYS CB C 13 32.658 0.000 . 1 . . . . 275 LYS CB . 15911 1 643 . 1 1 184 184 LYS N N 15 129.825 0.017 . 1 . . . . 275 LYS N . 15911 1 stop_ save_