data_25326 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25326 _Entry.Title ; The structure of the carboxy-terminal domain of DNTTIP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-11 _Entry.Accession_date 2014-11-11 _Entry.Last_release_date 2015-08-25 _Entry.Original_release_date 2015-08-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 65 STRUCTURES' _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 John Schwabe . W.R. . 25326 2 Frederick Muskett . W. . 25326 3 Toshimasa Itoh . . . 25326 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25326 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNTTIP1 . 25326 HDAC . 25326 HDAC1 . 25326 MIDEAS . 25326 TDIF1 . 25326 'gene expression' . 25326 'histone deacetylase' . 25326 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25326 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 382 25326 '15N chemical shifts' 108 25326 '1H chemical shifts' 734 25326 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 . . 2015-08-25 2014-11-11 update BMRB 'update entry citation' 25326 1 . . 2015-02-16 2014-11-11 original author 'original release' 25326 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MWI 'BMRB Entry Tracking System' 25326 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25326 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25653165 _Citation.Full_citation . _Citation.Title ; Structural and functional characterization of a cell cycle associated HDAC1/2 complex reveals the structural basis for complex assembly and nucleosome targeting ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 43 _Citation.Journal_issue 4 _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 2033 _Citation.Page_last 2044 _Citation.Year 2015 _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 Toshimasa Itoh . . . 25326 1 2 Louise Fairall . . . 25326 1 3 Frederick Muskett . W. . 25326 1 4 Charles Milano . P. . 25326 1 5 Peter Watson . J. . 25326 1 6 Nadia Arnaudo . . . 25326 1 7 Fabrizio Martino . . . 25326 1 8 John Schwabe . W.R. . 25326 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25326 _Assembly.ID 1 _Assembly.Name 'carboxy-terminal domain of DNTTIP1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 entity 1 $entity A . yes native no no . . . 25326 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25326 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAREGPKWDPARLNESTTFV LGSRANKALGMGGTRGRIYI KHPHLFKYAADPQDKHWLAE QHHMRATGGKMAYLLIEEDI RDLAASDDYRGCLDLKLEEL KSFVLPSWMVEKMRKYMETL RT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14060.309 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q9H147 . DNTTIP1 . . . . . . . . . . . . . . 25326 1 2 no PDB 2MWI . "The Structure Of The Carboxy-terminal Domain Of Dnttip1" . . . . . 100.00 122 100.00 100.00 2.79e-84 . . . . 25326 1 3 no DBJ BAB62888 . "TdT binding protein [Homo sapiens]" . . . . . 98.36 329 100.00 100.00 2.62e-81 . . . . 25326 1 4 no DBJ BAB82521 . "TdT interacting factor 1 [Mus musculus]" . . . . . 98.36 328 100.00 100.00 2.74e-81 . . . . 25326 1 5 no DBJ BAE26320 . "unnamed protein product [Mus musculus]" . . . . . 98.36 328 100.00 100.00 2.74e-81 . . . . 25326 1 6 no DBJ BAE40293 . "unnamed protein product [Mus musculus]" . . . . . 98.36 328 100.00 100.00 2.74e-81 . . . . 25326 1 7 no DBJ BAG36715 . "unnamed protein product [Homo sapiens]" . . . . . 98.36 329 100.00 100.00 2.62e-81 . . . . 25326 1 8 no EMBL CAH93071 . "hypothetical protein [Pongo abelii]" . . . . . 98.36 329 99.17 99.17 3.45e-80 . . . . 25326 1 9 no GB AAH03486 . "Deoxynucleotidyltransferase, terminal, interacting protein 1 [Mus musculus]" . . . . . 98.36 328 100.00 100.00 2.74e-81 . . . . 25326 1 10 no GB AAH09535 . "DNTTIP1 protein, partial [Homo sapiens]" . . . . . 98.36 212 100.00 100.00 6.65e-82 . . . . 25326 1 11 no GB AAH24290 . "Deoxynucleotidyltransferase, terminal, interacting protein 1 [Homo sapiens]" . . . . . 98.36 329 100.00 100.00 2.62e-81 . . . . 25326 1 12 no GB AAI00641 . "Dnttip1 protein [Rattus norvegicus]" . . . . . 98.36 328 100.00 100.00 2.18e-81 . . . . 25326 1 13 no GB AAI46176 . "DNTTIP1 protein [Bos taurus]" . . . . . 98.36 329 100.00 100.00 3.32e-81 . . . . 25326 1 14 no REF NP_001092346 . "deoxynucleotidyltransferase terminal-interacting protein 1 [Bos taurus]" . . . . . 98.36 329 100.00 100.00 3.32e-81 . . . . 25326 1 15 no REF NP_001126819 . "deoxynucleotidyltransferase terminal-interacting protein 1 [Pongo abelii]" . . . . . 98.36 329 99.17 99.17 3.45e-80 . . . . 25326 1 16 no REF NP_001181292 . "deoxynucleotidyltransferase terminal-interacting protein 1 [Macaca mulatta]" . . . . . 98.36 329 100.00 100.00 2.91e-81 . . . . 25326 1 17 no REF NP_443183 . "deoxynucleotidyltransferase terminal-interacting protein 1 [Homo sapiens]" . . . . . 98.36 329 100.00 100.00 2.62e-81 . . . . 25326 1 18 no REF NP_598524 . "deoxynucleotidyltransferase terminal-interacting protein 1 [Mus musculus]" . . . . . 98.36 328 100.00 100.00 2.74e-81 . . . . 25326 1 19 no SP A6H7A8 . "RecName: Full=Deoxynucleotidyltransferase terminal-interacting protein 1; AltName: Full=Terminal deoxynucleotidyltransferase-in" . . . . . 98.36 329 100.00 100.00 3.32e-81 . . . . 25326 1 20 no SP Q5R595 . "RecName: Full=Deoxynucleotidyltransferase terminal-interacting protein 1; AltName: Full=Terminal deoxynucleotidyltransferase-in" . . . . . 98.36 329 99.17 99.17 3.45e-80 . . . . 25326 1 21 no SP Q91Y53 . "RecName: Full=Deoxynucleotidyltransferase terminal-interacting protein 1; AltName: Full=Terminal deoxynucleotidyltransferase-in" . . . . . 98.36 327 100.00 100.00 1.55e-81 . . . . 25326 1 22 no SP Q99LB0 . "RecName: Full=Deoxynucleotidyltransferase terminal-interacting protein 1; AltName: Full=Terminal deoxynucleotidyltransferase-in" . . . . . 98.36 328 100.00 100.00 2.74e-81 . . . . 25326 1 23 no SP Q9H147 . "RecName: Full=Deoxynucleotidyltransferase terminal-interacting protein 1; AltName: Full=Terminal deoxynucleotidyltransferase-in" . . . . . 98.36 329 100.00 100.00 2.62e-81 . . . . 25326 1 24 no TPG DAA23166 . "TPA: deoxynucleotidyltransferase terminal-interacting protein 1 [Bos taurus]" . . . . . 98.36 329 100.00 100.00 3.32e-81 . . . . 25326 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 . GLY . 25326 1 2 196 ALA . 25326 1 3 197 ARG . 25326 1 4 198 GLU . 25326 1 5 199 GLY . 25326 1 6 200 PRO . 25326 1 7 201 LYS . 25326 1 8 202 TRP . 25326 1 9 203 ASP . 25326 1 10 204 PRO . 25326 1 11 205 ALA . 25326 1 12 206 ARG . 25326 1 13 207 LEU . 25326 1 14 208 ASN . 25326 1 15 209 GLU . 25326 1 16 210 SER . 25326 1 17 211 THR . 25326 1 18 212 THR . 25326 1 19 213 PHE . 25326 1 20 214 VAL . 25326 1 21 215 LEU . 25326 1 22 216 GLY . 25326 1 23 217 SER . 25326 1 24 218 ARG . 25326 1 25 219 ALA . 25326 1 26 220 ASN . 25326 1 27 221 LYS . 25326 1 28 222 ALA . 25326 1 29 223 LEU . 25326 1 30 224 GLY . 25326 1 31 225 MET . 25326 1 32 226 GLY . 25326 1 33 227 GLY . 25326 1 34 228 THR . 25326 1 35 229 ARG . 25326 1 36 230 GLY . 25326 1 37 231 ARG . 25326 1 38 232 ILE . 25326 1 39 233 TYR . 25326 1 40 234 ILE . 25326 1 41 235 LYS . 25326 1 42 236 HIS . 25326 1 43 237 PRO . 25326 1 44 238 HIS . 25326 1 45 239 LEU . 25326 1 46 240 PHE . 25326 1 47 241 LYS . 25326 1 48 242 TYR . 25326 1 49 243 ALA . 25326 1 50 244 ALA . 25326 1 51 245 ASP . 25326 1 52 246 PRO . 25326 1 53 247 GLN . 25326 1 54 248 ASP . 25326 1 55 249 LYS . 25326 1 56 250 HIS . 25326 1 57 251 TRP . 25326 1 58 252 LEU . 25326 1 59 253 ALA . 25326 1 60 254 GLU . 25326 1 61 255 GLN . 25326 1 62 256 HIS . 25326 1 63 257 HIS . 25326 1 64 258 MET . 25326 1 65 259 ARG . 25326 1 66 260 ALA . 25326 1 67 261 THR . 25326 1 68 262 GLY . 25326 1 69 263 GLY . 25326 1 70 264 LYS . 25326 1 71 265 MET . 25326 1 72 266 ALA . 25326 1 73 267 TYR . 25326 1 74 268 LEU . 25326 1 75 269 LEU . 25326 1 76 270 ILE . 25326 1 77 271 GLU . 25326 1 78 272 GLU . 25326 1 79 273 ASP . 25326 1 80 274 ILE . 25326 1 81 275 ARG . 25326 1 82 276 ASP . 25326 1 83 277 LEU . 25326 1 84 278 ALA . 25326 1 85 279 ALA . 25326 1 86 280 SER . 25326 1 87 281 ASP . 25326 1 88 282 ASP . 25326 1 89 283 TYR . 25326 1 90 284 ARG . 25326 1 91 285 GLY . 25326 1 92 286 CYS . 25326 1 93 287 LEU . 25326 1 94 288 ASP . 25326 1 95 289 LEU . 25326 1 96 290 LYS . 25326 1 97 291 LEU . 25326 1 98 292 GLU . 25326 1 99 293 GLU . 25326 1 100 294 LEU . 25326 1 101 295 LYS . 25326 1 102 296 SER . 25326 1 103 297 PHE . 25326 1 104 298 VAL . 25326 1 105 299 LEU . 25326 1 106 300 PRO . 25326 1 107 301 SER . 25326 1 108 302 TRP . 25326 1 109 303 MET . 25326 1 110 304 VAL . 25326 1 111 305 GLU . 25326 1 112 306 LYS . 25326 1 113 307 MET . 25326 1 114 308 ARG . 25326 1 115 309 LYS . 25326 1 116 310 TYR . 25326 1 117 311 MET . 25326 1 118 312 GLU . 25326 1 119 313 THR . 25326 1 120 314 LEU . 25326 1 121 315 ARG . 25326 1 122 316 THR . 25326 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 . GLY 1 1 25326 1 . ALA 2 2 25326 1 . ARG 3 3 25326 1 . GLU 4 4 25326 1 . GLY 5 5 25326 1 . PRO 6 6 25326 1 . LYS 7 7 25326 1 . TRP 8 8 25326 1 . ASP 9 9 25326 1 . PRO 10 10 25326 1 . ALA 11 11 25326 1 . ARG 12 12 25326 1 . LEU 13 13 25326 1 . ASN 14 14 25326 1 . GLU 15 15 25326 1 . SER 16 16 25326 1 . THR 17 17 25326 1 . THR 18 18 25326 1 . PHE 19 19 25326 1 . VAL 20 20 25326 1 . LEU 21 21 25326 1 . GLY 22 22 25326 1 . SER 23 23 25326 1 . ARG 24 24 25326 1 . ALA 25 25 25326 1 . ASN 26 26 25326 1 . LYS 27 27 25326 1 . ALA 28 28 25326 1 . LEU 29 29 25326 1 . GLY 30 30 25326 1 . MET 31 31 25326 1 . GLY 32 32 25326 1 . GLY 33 33 25326 1 . THR 34 34 25326 1 . ARG 35 35 25326 1 . GLY 36 36 25326 1 . ARG 37 37 25326 1 . ILE 38 38 25326 1 . TYR 39 39 25326 1 . ILE 40 40 25326 1 . LYS 41 41 25326 1 . HIS 42 42 25326 1 . PRO 43 43 25326 1 . HIS 44 44 25326 1 . LEU 45 45 25326 1 . PHE 46 46 25326 1 . LYS 47 47 25326 1 . TYR 48 48 25326 1 . ALA 49 49 25326 1 . ALA 50 50 25326 1 . ASP 51 51 25326 1 . PRO 52 52 25326 1 . GLN 53 53 25326 1 . ASP 54 54 25326 1 . LYS 55 55 25326 1 . HIS 56 56 25326 1 . TRP 57 57 25326 1 . LEU 58 58 25326 1 . ALA 59 59 25326 1 . GLU 60 60 25326 1 . GLN 61 61 25326 1 . HIS 62 62 25326 1 . HIS 63 63 25326 1 . MET 64 64 25326 1 . ARG 65 65 25326 1 . ALA 66 66 25326 1 . THR 67 67 25326 1 . GLY 68 68 25326 1 . GLY 69 69 25326 1 . LYS 70 70 25326 1 . MET 71 71 25326 1 . ALA 72 72 25326 1 . TYR 73 73 25326 1 . LEU 74 74 25326 1 . LEU 75 75 25326 1 . ILE 76 76 25326 1 . GLU 77 77 25326 1 . GLU 78 78 25326 1 . ASP 79 79 25326 1 . ILE 80 80 25326 1 . ARG 81 81 25326 1 . ASP 82 82 25326 1 . LEU 83 83 25326 1 . ALA 84 84 25326 1 . ALA 85 85 25326 1 . SER 86 86 25326 1 . ASP 87 87 25326 1 . ASP 88 88 25326 1 . TYR 89 89 25326 1 . ARG 90 90 25326 1 . GLY 91 91 25326 1 . CYS 92 92 25326 1 . LEU 93 93 25326 1 . ASP 94 94 25326 1 . LEU 95 95 25326 1 . LYS 96 96 25326 1 . LEU 97 97 25326 1 . GLU 98 98 25326 1 . GLU 99 99 25326 1 . LEU 100 100 25326 1 . LYS 101 101 25326 1 . SER 102 102 25326 1 . PHE 103 103 25326 1 . VAL 104 104 25326 1 . LEU 105 105 25326 1 . PRO 106 106 25326 1 . SER 107 107 25326 1 . TRP 108 108 25326 1 . MET 109 109 25326 1 . VAL 110 110 25326 1 . GLU 111 111 25326 1 . LYS 112 112 25326 1 . MET 113 113 25326 1 . ARG 114 114 25326 1 . LYS 115 115 25326 1 . TYR 116 116 25326 1 . MET 117 117 25326 1 . GLU 118 118 25326 1 . THR 119 119 25326 1 . LEU 120 120 25326 1 . ARG 121 121 25326 1 . THR 122 122 25326 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 25326 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25326 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 25326 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta pLysS' . . . . . pET30A . . . 25326 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25326 _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 'potassium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 25326 1 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25326 1 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 25326 1 4 DNTTIP1(197-316) '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.3 . . mM . . . . 25326 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25326 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25326 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25326 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'potassium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 25326 2 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25326 2 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 25326 2 4 DNTTIP1(197-316) '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.3 . . mM . . . . 25326 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25326 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25326 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 80 . mM 25326 1 pH 6.0 . pH 25326 1 pressure 1 . atm 25326 1 temperature 298 . K 25326 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 25326 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 80 . mM 25326 2 pH 6.0 . pH 25326 2 pressure 1 . atm 25326 2 temperature 298 . K 25326 2 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25326 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25326 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25326 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25326 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25326 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25326 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25326 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25326 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25326 3 processing 25326 3 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 25326 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25326 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25326 _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 . . . 25326 1 2 spectrometer_2 Bruker Avance . 800 . . . 25326 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 25326 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25326 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25326 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25326 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25326 1 5 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25326 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25326 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25326 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25326 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25326 1 10 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25326 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25326 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25326 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25326 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 25326 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25326 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25326 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25326 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 25326 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25326 1 3 '3D HNCACB' . . . 25326 1 5 '3D HNHA' . . . 25326 1 6 '3D HBHA(CO)NH' . . . 25326 1 8 '3D HNCO' . . . 25326 1 9 '3D HCCH-TOCSY' . . . 25326 1 10 '3D CCH-TOCSY' . . . 25326 1 11 '2D 1H-13C HSQC' . . . 25326 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 25326 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA H H 1 8.414 0.020 . . . . . A 196 ALA H . 25326 1 2 . 1 1 2 2 ALA HA H 1 3.781 0.012 . . . . . A 196 ALA HA . 25326 1 3 . 1 1 2 2 ALA HB1 H 1 1.255 0.001 . . . . . A 196 ALA HB1 . 25326 1 4 . 1 1 2 2 ALA HB2 H 1 1.255 0.001 . . . . . A 196 ALA HB2 . 25326 1 5 . 1 1 2 2 ALA HB3 H 1 1.255 0.001 . . . . . A 196 ALA HB3 . 25326 1 6 . 1 1 2 2 ALA CA C 13 55.082 0.017 . . . . . A 196 ALA CA . 25326 1 7 . 1 1 2 2 ALA CB C 13 18.450 0.156 . . . . . A 196 ALA CB . 25326 1 8 . 1 1 3 3 ARG H H 1 8.236 0.005 . . . . . A 197 ARG H . 25326 1 9 . 1 1 3 3 ARG HA H 1 4.811 0.020 . . . . . A 197 ARG HA . 25326 1 10 . 1 1 3 3 ARG HB2 H 1 1.440 0.014 . . . . . A 197 ARG HB2 . 25326 1 11 . 1 1 3 3 ARG HB3 H 1 1.133 0.014 . . . . . A 197 ARG HB3 . 25326 1 12 . 1 1 3 3 ARG HG2 H 1 1.220 0.014 . . . . . A 197 ARG HG2 . 25326 1 13 . 1 1 3 3 ARG HG3 H 1 1.003 0.003 . . . . . A 197 ARG HG3 . 25326 1 14 . 1 1 3 3 ARG HD2 H 1 2.700 0.007 . . . . . A 197 ARG HD2 . 25326 1 15 . 1 1 3 3 ARG HD3 H 1 2.646 0.007 . . . . . A 197 ARG HD3 . 25326 1 16 . 1 1 3 3 ARG CA C 13 55.637 0.080 . . . . . A 197 ARG CA . 25326 1 17 . 1 1 3 3 ARG CB C 13 29.975 0.093 . . . . . A 197 ARG CB . 25326 1 18 . 1 1 3 3 ARG CG C 13 27.006 0.096 . . . . . A 197 ARG CG . 25326 1 19 . 1 1 3 3 ARG CD C 13 43.026 0.043 . . . . . A 197 ARG CD . 25326 1 20 . 1 1 3 3 ARG N N 15 122.702 0.039 . . . . . A 197 ARG N . 25326 1 21 . 1 1 4 4 GLU H H 1 8.109 0.006 . . . . . A 198 GLU H . 25326 1 22 . 1 1 4 4 GLU HA H 1 4.360 0.010 . . . . . A 198 GLU HA . 25326 1 23 . 1 1 4 4 GLU HB2 H 1 1.909 0.011 . . . . . A 198 GLU HB2 . 25326 1 24 . 1 1 4 4 GLU HB3 H 1 1.779 0.011 . . . . . A 198 GLU HB3 . 25326 1 25 . 1 1 4 4 GLU HG2 H 1 2.038 0.005 . . . . . A 198 GLU HG2 . 25326 1 26 . 1 1 4 4 GLU HG3 H 1 2.038 0.005 . . . . . A 198 GLU HG3 . 25326 1 27 . 1 1 4 4 GLU CA C 13 55.600 0.102 . . . . . A 198 GLU CA . 25326 1 28 . 1 1 4 4 GLU CB C 13 31.264 0.083 . . . . . A 198 GLU CB . 25326 1 29 . 1 1 4 4 GLU CG C 13 35.832 0.028 . . . . . A 198 GLU CG . 25326 1 30 . 1 1 4 4 GLU N N 15 120.945 0.032 . . . . . A 198 GLU N . 25326 1 31 . 1 1 5 5 GLY H H 1 8.261 0.009 . . . . . A 199 GLY H . 25326 1 32 . 1 1 5 5 GLY HA2 H 1 3.954 0.013 . . . . . A 199 GLY HA2 . 25326 1 33 . 1 1 5 5 GLY HA3 H 1 4.170 0.005 . . . . . A 199 GLY HA3 . 25326 1 34 . 1 1 5 5 GLY CA C 13 44.930 0.115 . . . . . A 199 GLY CA . 25326 1 35 . 1 1 5 5 GLY N N 15 109.217 0.042 . . . . . A 199 GLY N . 25326 1 36 . 1 1 6 6 PRO HA H 1 4.293 0.010 . . . . . A 200 PRO HA . 25326 1 37 . 1 1 6 6 PRO HB2 H 1 2.165 0.010 . . . . . A 200 PRO HB2 . 25326 1 38 . 1 1 6 6 PRO HB3 H 1 1.650 0.008 . . . . . A 200 PRO HB3 . 25326 1 39 . 1 1 6 6 PRO HG2 H 1 1.879 0.010 . . . . . A 200 PRO HG2 . 25326 1 40 . 1 1 6 6 PRO HG3 H 1 1.879 0.010 . . . . . A 200 PRO HG3 . 25326 1 41 . 1 1 6 6 PRO HD2 H 1 3.605 0.010 . . . . . A 200 PRO HD2 . 25326 1 42 . 1 1 6 6 PRO HD3 H 1 3.534 0.009 . . . . . A 200 PRO HD3 . 25326 1 43 . 1 1 6 6 PRO CA C 13 64.052 0.067 . . . . . A 200 PRO CA . 25326 1 44 . 1 1 6 6 PRO CB C 13 32.170 0.041 . . . . . A 200 PRO CB . 25326 1 45 . 1 1 6 6 PRO CG C 13 27.222 0.056 . . . . . A 200 PRO CG . 25326 1 46 . 1 1 6 6 PRO CD C 13 49.954 0.070 . . . . . A 200 PRO CD . 25326 1 47 . 1 1 7 7 LYS H H 1 8.418 0.008 . . . . . A 201 LYS H . 25326 1 48 . 1 1 7 7 LYS HA H 1 3.945 0.013 . . . . . A 201 LYS HA . 25326 1 49 . 1 1 7 7 LYS HB2 H 1 1.717 0.011 . . . . . A 201 LYS HB2 . 25326 1 50 . 1 1 7 7 LYS HB3 H 1 1.590 0.013 . . . . . A 201 LYS HB3 . 25326 1 51 . 1 1 7 7 LYS HG2 H 1 1.345 0.008 . . . . . A 201 LYS HG2 . 25326 1 52 . 1 1 7 7 LYS HG3 H 1 1.177 0.009 . . . . . A 201 LYS HG3 . 25326 1 53 . 1 1 7 7 LYS HD2 H 1 1.486 0.009 . . . . . A 201 LYS HD2 . 25326 1 54 . 1 1 7 7 LYS HD3 H 1 1.486 0.009 . . . . . A 201 LYS HD3 . 25326 1 55 . 1 1 7 7 LYS HE2 H 1 2.864 0.013 . . . . . A 201 LYS HE2 . 25326 1 56 . 1 1 7 7 LYS HE3 H 1 2.803 0.012 . . . . . A 201 LYS HE3 . 25326 1 57 . 1 1 7 7 LYS CA C 13 56.635 0.089 . . . . . A 201 LYS CA . 25326 1 58 . 1 1 7 7 LYS CB C 13 32.184 0.080 . . . . . A 201 LYS CB . 25326 1 59 . 1 1 7 7 LYS CG C 13 25.032 0.081 . . . . . A 201 LYS CG . 25326 1 60 . 1 1 7 7 LYS CD C 13 28.744 0.044 . . . . . A 201 LYS CD . 25326 1 61 . 1 1 7 7 LYS CE C 13 41.900 0.093 . . . . . A 201 LYS CE . 25326 1 62 . 1 1 7 7 LYS N N 15 118.499 0.040 . . . . . A 201 LYS N . 25326 1 63 . 1 1 8 8 TRP H H 1 7.815 0.010 . . . . . A 202 TRP H . 25326 1 64 . 1 1 8 8 TRP HA H 1 4.489 0.010 . . . . . A 202 TRP HA . 25326 1 65 . 1 1 8 8 TRP HB2 H 1 3.400 0.010 . . . . . A 202 TRP HB2 . 25326 1 66 . 1 1 8 8 TRP HB3 H 1 2.715 0.011 . . . . . A 202 TRP HB3 . 25326 1 67 . 1 1 8 8 TRP HD1 H 1 7.118 0.007 . . . . . A 202 TRP HD1 . 25326 1 68 . 1 1 8 8 TRP HE1 H 1 10.473 0.011 . . . . . A 202 TRP HE1 . 25326 1 69 . 1 1 8 8 TRP HE3 H 1 7.578 0.009 . . . . . A 202 TRP HE3 . 25326 1 70 . 1 1 8 8 TRP HZ2 H 1 7.493 0.006 . . . . . A 202 TRP HZ2 . 25326 1 71 . 1 1 8 8 TRP HZ3 H 1 7.175 0.009 . . . . . A 202 TRP HZ3 . 25326 1 72 . 1 1 8 8 TRP HH2 H 1 7.313 0.008 . . . . . A 202 TRP HH2 . 25326 1 73 . 1 1 8 8 TRP CA C 13 56.096 0.111 . . . . . A 202 TRP CA . 25326 1 74 . 1 1 8 8 TRP CB C 13 28.866 0.054 . . . . . A 202 TRP CB . 25326 1 75 . 1 1 8 8 TRP CD1 C 13 126.793 0.096 . . . . . A 202 TRP CD1 . 25326 1 76 . 1 1 8 8 TRP CE3 C 13 120.987 0.032 . . . . . A 202 TRP CE3 . 25326 1 77 . 1 1 8 8 TRP CZ2 C 13 115.373 0.031 . . . . . A 202 TRP CZ2 . 25326 1 78 . 1 1 8 8 TRP CZ3 C 13 122.434 0.052 . . . . . A 202 TRP CZ3 . 25326 1 79 . 1 1 8 8 TRP CH2 C 13 124.870 0.093 . . . . . A 202 TRP CH2 . 25326 1 80 . 1 1 8 8 TRP N N 15 120.227 0.084 . . . . . A 202 TRP N . 25326 1 81 . 1 1 8 8 TRP NE1 N 15 130.746 0.019 . . . . . A 202 TRP NE1 . 25326 1 82 . 1 1 9 9 ASP H H 1 7.186 0.008 . . . . . A 203 ASP H . 25326 1 83 . 1 1 9 9 ASP HA H 1 4.800 0.008 . . . . . A 203 ASP HA . 25326 1 84 . 1 1 9 9 ASP HB2 H 1 2.780 0.009 . . . . . A 203 ASP HB2 . 25326 1 85 . 1 1 9 9 ASP HB3 H 1 2.433 0.010 . . . . . A 203 ASP HB3 . 25326 1 86 . 1 1 9 9 ASP CA C 13 50.620 0.094 . . . . . A 203 ASP CA . 25326 1 87 . 1 1 9 9 ASP CB C 13 42.526 0.087 . . . . . A 203 ASP CB . 25326 1 88 . 1 1 9 9 ASP N N 15 121.363 0.060 . . . . . A 203 ASP N . 25326 1 89 . 1 1 10 10 PRO HA H 1 4.330 0.006 . . . . . A 204 PRO HA . 25326 1 90 . 1 1 10 10 PRO HB2 H 1 2.276 0.010 . . . . . A 204 PRO HB2 . 25326 1 91 . 1 1 10 10 PRO HB3 H 1 1.985 0.009 . . . . . A 204 PRO HB3 . 25326 1 92 . 1 1 10 10 PRO HG2 H 1 2.082 0.008 . . . . . A 204 PRO HG2 . 25326 1 93 . 1 1 10 10 PRO HG3 H 1 1.772 0.011 . . . . . A 204 PRO HG3 . 25326 1 94 . 1 1 10 10 PRO HD2 H 1 3.904 0.012 . . . . . A 204 PRO HD2 . 25326 1 95 . 1 1 10 10 PRO HD3 H 1 3.904 0.012 . . . . . A 204 PRO HD3 . 25326 1 96 . 1 1 10 10 PRO CA C 13 64.471 0.037 . . . . . A 204 PRO CA . 25326 1 97 . 1 1 10 10 PRO CB C 13 32.132 0.093 . . . . . A 204 PRO CB . 25326 1 98 . 1 1 10 10 PRO CG C 13 27.321 0.074 . . . . . A 204 PRO CG . 25326 1 99 . 1 1 10 10 PRO CD C 13 50.965 0.071 . . . . . A 204 PRO CD . 25326 1 100 . 1 1 11 11 ALA H H 1 8.122 0.006 . . . . . A 205 ALA H . 25326 1 101 . 1 1 11 11 ALA HA H 1 4.017 0.013 . . . . . A 205 ALA HA . 25326 1 102 . 1 1 11 11 ALA HB1 H 1 1.268 0.010 . . . . . A 205 ALA HB1 . 25326 1 103 . 1 1 11 11 ALA HB2 H 1 1.268 0.010 . . . . . A 205 ALA HB2 . 25326 1 104 . 1 1 11 11 ALA HB3 H 1 1.268 0.010 . . . . . A 205 ALA HB3 . 25326 1 105 . 1 1 11 11 ALA CA C 13 53.532 0.081 . . . . . A 205 ALA CA . 25326 1 106 . 1 1 11 11 ALA CB C 13 18.223 0.133 . . . . . A 205 ALA CB . 25326 1 107 . 1 1 11 11 ALA N N 15 118.708 0.048 . . . . . A 205 ALA N . 25326 1 108 . 1 1 12 12 ARG H H 1 7.894 0.007 . . . . . A 206 ARG H . 25326 1 109 . 1 1 12 12 ARG HA H 1 4.017 0.010 . . . . . A 206 ARG HA . 25326 1 110 . 1 1 12 12 ARG HB2 H 1 1.865 0.011 . . . . . A 206 ARG HB2 . 25326 1 111 . 1 1 12 12 ARG HB3 H 1 1.662 0.008 . . . . . A 206 ARG HB3 . 25326 1 112 . 1 1 12 12 ARG HG2 H 1 1.642 0.005 . . . . . A 206 ARG HG2 . 25326 1 113 . 1 1 12 12 ARG HG3 H 1 1.224 0.012 . . . . . A 206 ARG HG3 . 25326 1 114 . 1 1 12 12 ARG HD2 H 1 3.062 0.013 . . . . . A 206 ARG HD2 . 25326 1 115 . 1 1 12 12 ARG HD3 H 1 2.804 0.011 . . . . . A 206 ARG HD3 . 25326 1 116 . 1 1 12 12 ARG HE H 1 7.027 0.001 . . . . . A 206 ARG HE . 25326 1 117 . 1 1 12 12 ARG CA C 13 56.846 0.047 . . . . . A 206 ARG CA . 25326 1 118 . 1 1 12 12 ARG CB C 13 30.476 0.057 . . . . . A 206 ARG CB . 25326 1 119 . 1 1 12 12 ARG CG C 13 26.751 0.072 . . . . . A 206 ARG CG . 25326 1 120 . 1 1 12 12 ARG CD C 13 43.886 0.071 . . . . . A 206 ARG CD . 25326 1 121 . 1 1 12 12 ARG N N 15 116.053 0.028 . . . . . A 206 ARG N . 25326 1 122 . 1 1 12 12 ARG NE N 15 90.626 0.019 . . . . . A 206 ARG NE . 25326 1 123 . 1 1 13 13 LEU H H 1 7.267 0.008 . . . . . A 207 LEU H . 25326 1 124 . 1 1 13 13 LEU HA H 1 4.318 0.010 . . . . . A 207 LEU HA . 25326 1 125 . 1 1 13 13 LEU HB2 H 1 1.131 0.012 . . . . . A 207 LEU HB2 . 25326 1 126 . 1 1 13 13 LEU HB3 H 1 1.841 0.013 . . . . . A 207 LEU HB3 . 25326 1 127 . 1 1 13 13 LEU HG H 1 1.403 0.011 . . . . . A 207 LEU HG . 25326 1 128 . 1 1 13 13 LEU HD11 H 1 0.722 0.010 . . . . . A 207 LEU HD11 . 25326 1 129 . 1 1 13 13 LEU HD12 H 1 0.722 0.010 . . . . . A 207 LEU HD12 . 25326 1 130 . 1 1 13 13 LEU HD13 H 1 0.722 0.010 . . . . . A 207 LEU HD13 . 25326 1 131 . 1 1 13 13 LEU HD21 H 1 0.725 0.009 . . . . . A 207 LEU HD21 . 25326 1 132 . 1 1 13 13 LEU HD22 H 1 0.725 0.009 . . . . . A 207 LEU HD22 . 25326 1 133 . 1 1 13 13 LEU HD23 H 1 0.725 0.009 . . . . . A 207 LEU HD23 . 25326 1 134 . 1 1 13 13 LEU CA C 13 53.485 0.108 . . . . . A 207 LEU CA . 25326 1 135 . 1 1 13 13 LEU CB C 13 42.064 0.056 . . . . . A 207 LEU CB . 25326 1 136 . 1 1 13 13 LEU CG C 13 26.626 0.066 . . . . . A 207 LEU CG . 25326 1 137 . 1 1 13 13 LEU CD1 C 13 25.980 0.069 . . . . . A 207 LEU CD1 . 25326 1 138 . 1 1 13 13 LEU CD2 C 13 23.839 0.044 . . . . . A 207 LEU CD2 . 25326 1 139 . 1 1 13 13 LEU N N 15 119.318 0.058 . . . . . A 207 LEU N . 25326 1 140 . 1 1 14 14 ASN H H 1 8.989 0.005 . . . . . A 208 ASN H . 25326 1 141 . 1 1 14 14 ASN HA H 1 4.676 0.010 . . . . . A 208 ASN HA . 25326 1 142 . 1 1 14 14 ASN HB2 H 1 2.824 0.016 . . . . . A 208 ASN HB2 . 25326 1 143 . 1 1 14 14 ASN HB3 H 1 2.947 0.013 . . . . . A 208 ASN HB3 . 25326 1 144 . 1 1 14 14 ASN CA C 13 52.505 0.094 . . . . . A 208 ASN CA . 25326 1 145 . 1 1 14 14 ASN CB C 13 40.004 0.053 . . . . . A 208 ASN CB . 25326 1 146 . 1 1 14 14 ASN N N 15 120.683 0.066 . . . . . A 208 ASN N . 25326 1 147 . 1 1 15 15 GLU H H 1 9.008 0.008 . . . . . A 209 GLU H . 25326 1 148 . 1 1 15 15 GLU HA H 1 4.144 0.009 . . . . . A 209 GLU HA . 25326 1 149 . 1 1 15 15 GLU HB2 H 1 2.119 0.004 . . . . . A 209 GLU HB2 . 25326 1 150 . 1 1 15 15 GLU HB3 H 1 2.031 0.009 . . . . . A 209 GLU HB3 . 25326 1 151 . 1 1 15 15 GLU HG2 H 1 2.274 0.010 . . . . . A 209 GLU HG2 . 25326 1 152 . 1 1 15 15 GLU HG3 H 1 2.226 0.010 . . . . . A 209 GLU HG3 . 25326 1 153 . 1 1 15 15 GLU CA C 13 59.400 0.073 . . . . . A 209 GLU CA . 25326 1 154 . 1 1 15 15 GLU CB C 13 29.391 0.084 . . . . . A 209 GLU CB . 25326 1 155 . 1 1 15 15 GLU CG C 13 36.858 0.067 . . . . . A 209 GLU CG . 25326 1 156 . 1 1 15 15 GLU N N 15 117.217 0.057 . . . . . A 209 GLU N . 25326 1 157 . 1 1 16 16 SER H H 1 8.707 0.006 . . . . . A 210 SER H . 25326 1 158 . 1 1 16 16 SER HA H 1 4.556 0.014 . . . . . A 210 SER HA . 25326 1 159 . 1 1 16 16 SER HB2 H 1 3.816 0.014 . . . . . A 210 SER HB2 . 25326 1 160 . 1 1 16 16 SER HB3 H 1 3.816 0.014 . . . . . A 210 SER HB3 . 25326 1 161 . 1 1 16 16 SER CA C 13 58.215 0.100 . . . . . A 210 SER CA . 25326 1 162 . 1 1 16 16 SER CB C 13 64.145 0.033 . . . . . A 210 SER CB . 25326 1 163 . 1 1 16 16 SER N N 15 113.969 0.045 . . . . . A 210 SER N . 25326 1 164 . 1 1 17 17 THR H H 1 7.647 0.007 . . . . . A 211 THR H . 25326 1 165 . 1 1 17 17 THR HA H 1 3.718 0.013 . . . . . A 211 THR HA . 25326 1 166 . 1 1 17 17 THR HB H 1 3.934 0.011 . . . . . A 211 THR HB . 25326 1 167 . 1 1 17 17 THR HG21 H 1 0.554 0.012 . . . . . A 211 THR HG21 . 25326 1 168 . 1 1 17 17 THR HG22 H 1 0.554 0.012 . . . . . A 211 THR HG22 . 25326 1 169 . 1 1 17 17 THR HG23 H 1 0.554 0.012 . . . . . A 211 THR HG23 . 25326 1 170 . 1 1 17 17 THR CA C 13 64.750 0.060 . . . . . A 211 THR CA . 25326 1 171 . 1 1 17 17 THR CB C 13 68.901 0.064 . . . . . A 211 THR CB . 25326 1 172 . 1 1 17 17 THR CG2 C 13 22.982 0.024 . . . . . A 211 THR CG2 . 25326 1 173 . 1 1 17 17 THR N N 15 122.848 0.050 . . . . . A 211 THR N . 25326 1 174 . 1 1 18 18 THR H H 1 7.108 0.005 . . . . . A 212 THR H . 25326 1 175 . 1 1 18 18 THR HA H 1 4.565 0.009 . . . . . A 212 THR HA . 25326 1 176 . 1 1 18 18 THR HB H 1 3.834 0.012 . . . . . A 212 THR HB . 25326 1 177 . 1 1 18 18 THR HG21 H 1 0.973 0.011 . . . . . A 212 THR HG21 . 25326 1 178 . 1 1 18 18 THR HG22 H 1 0.973 0.011 . . . . . A 212 THR HG22 . 25326 1 179 . 1 1 18 18 THR HG23 H 1 0.973 0.011 . . . . . A 212 THR HG23 . 25326 1 180 . 1 1 18 18 THR CA C 13 59.217 0.091 . . . . . A 212 THR CA . 25326 1 181 . 1 1 18 18 THR CB C 13 69.546 0.087 . . . . . A 212 THR CB . 25326 1 182 . 1 1 18 18 THR CG2 C 13 24.191 0.045 . . . . . A 212 THR CG2 . 25326 1 183 . 1 1 18 18 THR N N 15 112.344 0.039 . . . . . A 212 THR N . 25326 1 184 . 1 1 19 19 PHE H H 1 9.003 0.006 . . . . . A 213 PHE H . 25326 1 185 . 1 1 19 19 PHE HA H 1 5.048 0.008 . . . . . A 213 PHE HA . 25326 1 186 . 1 1 19 19 PHE HB2 H 1 2.148 0.010 . . . . . A 213 PHE HB2 . 25326 1 187 . 1 1 19 19 PHE HB3 H 1 2.729 0.013 . . . . . A 213 PHE HB3 . 25326 1 188 . 1 1 19 19 PHE HD1 H 1 6.972 0.009 . . . . . A 213 PHE HD1 . 25326 1 189 . 1 1 19 19 PHE HD2 H 1 6.972 0.009 . . . . . A 213 PHE HD2 . 25326 1 190 . 1 1 19 19 PHE HE1 H 1 7.130 0.005 . . . . . A 213 PHE HE1 . 25326 1 191 . 1 1 19 19 PHE HE2 H 1 7.130 0.005 . . . . . A 213 PHE HE2 . 25326 1 192 . 1 1 19 19 PHE HZ H 1 6.857 0.020 . . . . . A 213 PHE HZ . 25326 1 193 . 1 1 19 19 PHE CA C 13 56.949 0.080 . . . . . A 213 PHE CA . 25326 1 194 . 1 1 19 19 PHE CB C 13 43.532 0.056 . . . . . A 213 PHE CB . 25326 1 195 . 1 1 19 19 PHE CE1 C 13 132.068 0.027 . . . . . A 213 PHE CE1 . 25326 1 196 . 1 1 19 19 PHE CE2 C 13 132.068 0.027 . . . . . A 213 PHE CE2 . 25326 1 197 . 1 1 19 19 PHE N N 15 122.196 0.043 . . . . . A 213 PHE N . 25326 1 198 . 1 1 20 20 VAL H H 1 8.799 0.007 . . . . . A 214 VAL H . 25326 1 199 . 1 1 20 20 VAL HA H 1 4.571 0.015 . . . . . A 214 VAL HA . 25326 1 200 . 1 1 20 20 VAL HB H 1 1.938 0.010 . . . . . A 214 VAL HB . 25326 1 201 . 1 1 20 20 VAL HG11 H 1 0.575 0.011 . . . . . A 214 VAL HG11 . 25326 1 202 . 1 1 20 20 VAL HG12 H 1 0.575 0.011 . . . . . A 214 VAL HG12 . 25326 1 203 . 1 1 20 20 VAL HG13 H 1 0.575 0.011 . . . . . A 214 VAL HG13 . 25326 1 204 . 1 1 20 20 VAL HG21 H 1 0.504 0.012 . . . . . A 214 VAL HG21 . 25326 1 205 . 1 1 20 20 VAL HG22 H 1 0.504 0.012 . . . . . A 214 VAL HG22 . 25326 1 206 . 1 1 20 20 VAL HG23 H 1 0.504 0.012 . . . . . A 214 VAL HG23 . 25326 1 207 . 1 1 20 20 VAL CA C 13 57.535 0.051 . . . . . A 214 VAL CA . 25326 1 208 . 1 1 20 20 VAL CB C 13 35.579 0.051 . . . . . A 214 VAL CB . 25326 1 209 . 1 1 20 20 VAL CG1 C 13 22.261 0.041 . . . . . A 214 VAL CG1 . 25326 1 210 . 1 1 20 20 VAL CG2 C 13 20.189 0.058 . . . . . A 214 VAL CG2 . 25326 1 211 . 1 1 20 20 VAL N N 15 108.206 0.104 . . . . . A 214 VAL N . 25326 1 212 . 1 1 21 21 LEU H H 1 8.915 0.004 . . . . . A 215 LEU H . 25326 1 213 . 1 1 21 21 LEU HA H 1 5.119 0.004 . . . . . A 215 LEU HA . 25326 1 214 . 1 1 21 21 LEU HB2 H 1 1.937 0.007 . . . . . A 215 LEU HB2 . 25326 1 215 . 1 1 21 21 LEU HB3 H 1 1.768 0.013 . . . . . A 215 LEU HB3 . 25326 1 216 . 1 1 21 21 LEU HG H 1 2.026 0.005 . . . . . A 215 LEU HG . 25326 1 217 . 1 1 21 21 LEU HD11 H 1 1.129 0.004 . . . . . A 215 LEU HD11 . 25326 1 218 . 1 1 21 21 LEU HD12 H 1 1.129 0.004 . . . . . A 215 LEU HD12 . 25326 1 219 . 1 1 21 21 LEU HD13 H 1 1.129 0.004 . . . . . A 215 LEU HD13 . 25326 1 220 . 1 1 21 21 LEU HD21 H 1 1.118 0.020 . . . . . A 215 LEU HD21 . 25326 1 221 . 1 1 21 21 LEU HD22 H 1 1.118 0.020 . . . . . A 215 LEU HD22 . 25326 1 222 . 1 1 21 21 LEU HD23 H 1 1.118 0.020 . . . . . A 215 LEU HD23 . 25326 1 223 . 1 1 21 21 LEU CA C 13 54.237 0.145 . . . . . A 215 LEU CA . 25326 1 224 . 1 1 21 21 LEU CB C 13 43.572 0.051 . . . . . A 215 LEU CB . 25326 1 225 . 1 1 21 21 LEU CG C 13 28.282 0.026 . . . . . A 215 LEU CG . 25326 1 226 . 1 1 21 21 LEU CD1 C 13 25.855 0.004 . . . . . A 215 LEU CD1 . 25326 1 227 . 1 1 21 21 LEU CD2 C 13 24.469 0.043 . . . . . A 215 LEU CD2 . 25326 1 228 . 1 1 21 21 LEU N N 15 122.732 0.056 . . . . . A 215 LEU N . 25326 1 229 . 1 1 22 22 GLY H H 1 9.568 0.010 . . . . . A 216 GLY H . 25326 1 230 . 1 1 22 22 GLY HA2 H 1 4.526 0.011 . . . . . A 216 GLY HA2 . 25326 1 231 . 1 1 22 22 GLY HA3 H 1 3.637 0.003 . . . . . A 216 GLY HA3 . 25326 1 232 . 1 1 22 22 GLY CA C 13 48.492 0.158 . . . . . A 216 GLY CA . 25326 1 233 . 1 1 22 22 GLY N N 15 114.065 0.039 . . . . . A 216 GLY N . 25326 1 234 . 1 1 25 25 ALA CA C 13 55.281 0.040 . . . . . A 219 ALA CA . 25326 1 235 . 1 1 25 25 ALA CB C 13 18.518 0.069 . . . . . A 219 ALA CB . 25326 1 236 . 1 1 26 26 ASN H H 1 8.250 0.005 . . . . . A 220 ASN H . 25326 1 237 . 1 1 26 26 ASN CA C 13 58.065 0.200 . . . . . A 220 ASN CA . 25326 1 238 . 1 1 26 26 ASN CB C 13 40.182 0.200 . . . . . A 220 ASN CB . 25326 1 239 . 1 1 26 26 ASN N N 15 114.372 0.081 . . . . . A 220 ASN N . 25326 1 240 . 1 1 27 27 LYS CA C 13 59.103 0.067 . . . . . A 221 LYS CA . 25326 1 241 . 1 1 27 27 LYS CB C 13 33.005 0.021 . . . . . A 221 LYS CB . 25326 1 242 . 1 1 28 28 ALA H H 1 8.582 0.007 . . . . . A 222 ALA H . 25326 1 243 . 1 1 28 28 ALA HA H 1 4.016 0.008 . . . . . A 222 ALA HA . 25326 1 244 . 1 1 28 28 ALA HB1 H 1 1.228 0.014 . . . . . A 222 ALA HB1 . 25326 1 245 . 1 1 28 28 ALA HB2 H 1 1.228 0.014 . . . . . A 222 ALA HB2 . 25326 1 246 . 1 1 28 28 ALA HB3 H 1 1.228 0.014 . . . . . A 222 ALA HB3 . 25326 1 247 . 1 1 28 28 ALA CA C 13 54.395 0.099 . . . . . A 222 ALA CA . 25326 1 248 . 1 1 28 28 ALA CB C 13 19.336 0.122 . . . . . A 222 ALA CB . 25326 1 249 . 1 1 28 28 ALA N N 15 123.187 0.043 . . . . . A 222 ALA N . 25326 1 250 . 1 1 29 29 LEU H H 1 7.073 0.007 . . . . . A 223 LEU H . 25326 1 251 . 1 1 29 29 LEU HA H 1 4.149 0.010 . . . . . A 223 LEU HA . 25326 1 252 . 1 1 29 29 LEU HB2 H 1 1.314 0.008 . . . . . A 223 LEU HB2 . 25326 1 253 . 1 1 29 29 LEU HB3 H 1 1.671 0.011 . . . . . A 223 LEU HB3 . 25326 1 254 . 1 1 29 29 LEU HG H 1 1.360 0.014 . . . . . A 223 LEU HG . 25326 1 255 . 1 1 29 29 LEU HD11 H 1 0.389 0.012 . . . . . A 223 LEU HD11 . 25326 1 256 . 1 1 29 29 LEU HD12 H 1 0.389 0.012 . . . . . A 223 LEU HD12 . 25326 1 257 . 1 1 29 29 LEU HD13 H 1 0.389 0.012 . . . . . A 223 LEU HD13 . 25326 1 258 . 1 1 29 29 LEU HD21 H 1 0.031 0.015 . . . . . A 223 LEU HD21 . 25326 1 259 . 1 1 29 29 LEU HD22 H 1 0.031 0.015 . . . . . A 223 LEU HD22 . 25326 1 260 . 1 1 29 29 LEU HD23 H 1 0.031 0.015 . . . . . A 223 LEU HD23 . 25326 1 261 . 1 1 29 29 LEU CA C 13 54.095 0.075 . . . . . A 223 LEU CA . 25326 1 262 . 1 1 29 29 LEU CB C 13 40.615 0.094 . . . . . A 223 LEU CB . 25326 1 263 . 1 1 29 29 LEU CG C 13 26.798 0.118 . . . . . A 223 LEU CG . 25326 1 264 . 1 1 29 29 LEU CD1 C 13 25.570 0.073 . . . . . A 223 LEU CD1 . 25326 1 265 . 1 1 29 29 LEU CD2 C 13 20.987 0.047 . . . . . A 223 LEU CD2 . 25326 1 266 . 1 1 29 29 LEU N N 15 113.319 0.065 . . . . . A 223 LEU N . 25326 1 267 . 1 1 30 30 GLY H H 1 7.604 0.011 . . . . . A 224 GLY H . 25326 1 268 . 1 1 30 30 GLY HA2 H 1 3.838 0.014 . . . . . A 224 GLY HA2 . 25326 1 269 . 1 1 30 30 GLY HA3 H 1 3.920 0.009 . . . . . A 224 GLY HA3 . 25326 1 270 . 1 1 30 30 GLY CA C 13 46.399 0.114 . . . . . A 224 GLY CA . 25326 1 271 . 1 1 30 30 GLY N N 15 104.045 0.061 . . . . . A 224 GLY N . 25326 1 272 . 1 1 31 31 MET H H 1 7.604 0.014 . . . . . A 225 MET H . 25326 1 273 . 1 1 31 31 MET HA H 1 4.649 0.002 . . . . . A 225 MET HA . 25326 1 274 . 1 1 31 31 MET HB2 H 1 2.351 0.007 . . . . . A 225 MET HB2 . 25326 1 275 . 1 1 31 31 MET HB3 H 1 2.278 0.012 . . . . . A 225 MET HB3 . 25326 1 276 . 1 1 31 31 MET CA C 13 54.982 0.106 . . . . . A 225 MET CA . 25326 1 277 . 1 1 31 31 MET CB C 13 32.657 0.063 . . . . . A 225 MET CB . 25326 1 278 . 1 1 31 31 MET N N 15 117.725 0.054 . . . . . A 225 MET N . 25326 1 279 . 1 1 32 32 GLY H H 1 8.820 0.006 . . . . . A 226 GLY H . 25326 1 280 . 1 1 32 32 GLY CA C 13 46.721 0.200 . . . . . A 226 GLY CA . 25326 1 281 . 1 1 32 32 GLY N N 15 108.077 0.048 . . . . . A 226 GLY N . 25326 1 282 . 1 1 36 36 GLY HA2 H 1 4.104 0.001 . . . . . A 230 GLY HA2 . 25326 1 283 . 1 1 36 36 GLY HA3 H 1 3.528 0.022 . . . . . A 230 GLY HA3 . 25326 1 284 . 1 1 36 36 GLY CA C 13 45.537 0.124 . . . . . A 230 GLY CA . 25326 1 285 . 1 1 37 37 ARG H H 1 7.713 0.012 . . . . . A 231 ARG H . 25326 1 286 . 1 1 37 37 ARG HA H 1 4.133 0.007 . . . . . A 231 ARG HA . 25326 1 287 . 1 1 37 37 ARG HB2 H 1 1.773 0.015 . . . . . A 231 ARG HB2 . 25326 1 288 . 1 1 37 37 ARG HB3 H 1 1.695 0.011 . . . . . A 231 ARG HB3 . 25326 1 289 . 1 1 37 37 ARG HG2 H 1 1.597 0.007 . . . . . A 231 ARG HG2 . 25326 1 290 . 1 1 37 37 ARG HG3 H 1 1.536 0.011 . . . . . A 231 ARG HG3 . 25326 1 291 . 1 1 37 37 ARG HD2 H 1 3.173 0.011 . . . . . A 231 ARG HD2 . 25326 1 292 . 1 1 37 37 ARG HD3 H 1 3.173 0.011 . . . . . A 231 ARG HD3 . 25326 1 293 . 1 1 37 37 ARG HE H 1 7.266 0.011 . . . . . A 231 ARG HE . 25326 1 294 . 1 1 37 37 ARG CA C 13 58.917 0.102 . . . . . A 231 ARG CA . 25326 1 295 . 1 1 37 37 ARG CB C 13 29.643 0.060 . . . . . A 231 ARG CB . 25326 1 296 . 1 1 37 37 ARG CG C 13 27.004 0.061 . . . . . A 231 ARG CG . 25326 1 297 . 1 1 37 37 ARG CD C 13 43.101 0.054 . . . . . A 231 ARG CD . 25326 1 298 . 1 1 37 37 ARG N N 15 122.932 0.066 . . . . . A 231 ARG N . 25326 1 299 . 1 1 37 37 ARG NE N 15 89.786 0.006 . . . . . A 231 ARG NE . 25326 1 300 . 1 1 38 38 ILE H H 1 8.421 0.009 . . . . . A 232 ILE H . 25326 1 301 . 1 1 38 38 ILE HA H 1 3.605 0.012 . . . . . A 232 ILE HA . 25326 1 302 . 1 1 38 38 ILE HB H 1 1.835 0.012 . . . . . A 232 ILE HB . 25326 1 303 . 1 1 38 38 ILE HG12 H 1 0.859 0.018 . . . . . A 232 ILE HG12 . 25326 1 304 . 1 1 38 38 ILE HG13 H 1 1.248 0.009 . . . . . A 232 ILE HG13 . 25326 1 305 . 1 1 38 38 ILE HG21 H 1 0.466 0.010 . . . . . A 232 ILE HG21 . 25326 1 306 . 1 1 38 38 ILE HG22 H 1 0.466 0.010 . . . . . A 232 ILE HG22 . 25326 1 307 . 1 1 38 38 ILE HG23 H 1 0.466 0.010 . . . . . A 232 ILE HG23 . 25326 1 308 . 1 1 38 38 ILE HD11 H 1 0.043 0.010 . . . . . A 232 ILE HD11 . 25326 1 309 . 1 1 38 38 ILE HD12 H 1 0.043 0.010 . . . . . A 232 ILE HD12 . 25326 1 310 . 1 1 38 38 ILE HD13 H 1 0.043 0.010 . . . . . A 232 ILE HD13 . 25326 1 311 . 1 1 38 38 ILE CA C 13 64.931 0.067 . . . . . A 232 ILE CA . 25326 1 312 . 1 1 38 38 ILE CB C 13 37.341 0.117 . . . . . A 232 ILE CB . 25326 1 313 . 1 1 38 38 ILE CG1 C 13 28.209 0.055 . . . . . A 232 ILE CG1 . 25326 1 314 . 1 1 38 38 ILE CG2 C 13 14.985 0.043 . . . . . A 232 ILE CG2 . 25326 1 315 . 1 1 38 38 ILE CD1 C 13 14.776 0.024 . . . . . A 232 ILE CD1 . 25326 1 316 . 1 1 38 38 ILE N N 15 117.520 0.070 . . . . . A 232 ILE N . 25326 1 317 . 1 1 39 39 TYR H H 1 6.085 0.011 . . . . . A 233 TYR H . 25326 1 318 . 1 1 39 39 TYR HA H 1 4.248 0.011 . . . . . A 233 TYR HA . 25326 1 319 . 1 1 39 39 TYR HB2 H 1 3.017 0.006 . . . . . A 233 TYR HB2 . 25326 1 320 . 1 1 39 39 TYR HB3 H 1 2.614 0.015 . . . . . A 233 TYR HB3 . 25326 1 321 . 1 1 39 39 TYR HD1 H 1 6.858 0.002 . . . . . A 233 TYR HD1 . 25326 1 322 . 1 1 39 39 TYR HD2 H 1 6.858 0.002 . . . . . A 233 TYR HD2 . 25326 1 323 . 1 1 39 39 TYR HE1 H 1 6.537 0.007 . . . . . A 233 TYR HE1 . 25326 1 324 . 1 1 39 39 TYR HE2 H 1 6.537 0.007 . . . . . A 233 TYR HE2 . 25326 1 325 . 1 1 39 39 TYR CA C 13 57.507 0.068 . . . . . A 233 TYR CA . 25326 1 326 . 1 1 39 39 TYR CB C 13 37.401 0.081 . . . . . A 233 TYR CB . 25326 1 327 . 1 1 39 39 TYR CD1 C 13 133.063 0.033 . . . . . A 233 TYR CD1 . 25326 1 328 . 1 1 39 39 TYR CD2 C 13 133.063 0.033 . . . . . A 233 TYR CD2 . 25326 1 329 . 1 1 39 39 TYR CE1 C 13 117.948 0.050 . . . . . A 233 TYR CE1 . 25326 1 330 . 1 1 39 39 TYR CE2 C 13 117.948 0.050 . . . . . A 233 TYR CE2 . 25326 1 331 . 1 1 39 39 TYR N N 15 117.266 0.051 . . . . . A 233 TYR N . 25326 1 332 . 1 1 40 40 ILE H H 1 7.085 0.007 . . . . . A 234 ILE H . 25326 1 333 . 1 1 40 40 ILE HA H 1 3.836 0.007 . . . . . A 234 ILE HA . 25326 1 334 . 1 1 40 40 ILE HB H 1 1.850 0.011 . . . . . A 234 ILE HB . 25326 1 335 . 1 1 40 40 ILE HG12 H 1 1.472 0.010 . . . . . A 234 ILE HG12 . 25326 1 336 . 1 1 40 40 ILE HG13 H 1 1.208 0.010 . . . . . A 234 ILE HG13 . 25326 1 337 . 1 1 40 40 ILE HG21 H 1 0.812 0.012 . . . . . A 234 ILE HG21 . 25326 1 338 . 1 1 40 40 ILE HG22 H 1 0.812 0.012 . . . . . A 234 ILE HG22 . 25326 1 339 . 1 1 40 40 ILE HG23 H 1 0.812 0.012 . . . . . A 234 ILE HG23 . 25326 1 340 . 1 1 40 40 ILE HD11 H 1 0.761 0.011 . . . . . A 234 ILE HD11 . 25326 1 341 . 1 1 40 40 ILE HD12 H 1 0.761 0.011 . . . . . A 234 ILE HD12 . 25326 1 342 . 1 1 40 40 ILE HD13 H 1 0.761 0.011 . . . . . A 234 ILE HD13 . 25326 1 343 . 1 1 40 40 ILE CA C 13 61.532 0.059 . . . . . A 234 ILE CA . 25326 1 344 . 1 1 40 40 ILE CB C 13 38.418 0.036 . . . . . A 234 ILE CB . 25326 1 345 . 1 1 40 40 ILE CG1 C 13 27.749 0.042 . . . . . A 234 ILE CG1 . 25326 1 346 . 1 1 40 40 ILE CG2 C 13 17.261 0.030 . . . . . A 234 ILE CG2 . 25326 1 347 . 1 1 40 40 ILE CD1 C 13 12.038 0.023 . . . . . A 234 ILE CD1 . 25326 1 348 . 1 1 40 40 ILE N N 15 116.232 0.046 . . . . . A 234 ILE N . 25326 1 349 . 1 1 41 41 LYS H H 1 7.907 0.012 . . . . . A 235 LYS H . 25326 1 350 . 1 1 41 41 LYS HA H 1 3.742 0.013 . . . . . A 235 LYS HA . 25326 1 351 . 1 1 41 41 LYS HB2 H 1 1.320 0.013 . . . . . A 235 LYS HB2 . 25326 1 352 . 1 1 41 41 LYS HB3 H 1 1.116 0.012 . . . . . A 235 LYS HB3 . 25326 1 353 . 1 1 41 41 LYS HG2 H 1 1.100 0.011 . . . . . A 235 LYS HG2 . 25326 1 354 . 1 1 41 41 LYS HG3 H 1 0.551 0.011 . . . . . A 235 LYS HG3 . 25326 1 355 . 1 1 41 41 LYS HD2 H 1 1.507 0.008 . . . . . A 235 LYS HD2 . 25326 1 356 . 1 1 41 41 LYS HD3 H 1 1.361 0.010 . . . . . A 235 LYS HD3 . 25326 1 357 . 1 1 41 41 LYS HE2 H 1 2.779 0.008 . . . . . A 235 LYS HE2 . 25326 1 358 . 1 1 41 41 LYS HE3 H 1 2.779 0.008 . . . . . A 235 LYS HE3 . 25326 1 359 . 1 1 41 41 LYS CA C 13 58.045 0.088 . . . . . A 235 LYS CA . 25326 1 360 . 1 1 41 41 LYS CB C 13 34.395 0.082 . . . . . A 235 LYS CB . 25326 1 361 . 1 1 41 41 LYS CG C 13 24.869 0.093 . . . . . A 235 LYS CG . 25326 1 362 . 1 1 41 41 LYS CD C 13 30.329 0.058 . . . . . A 235 LYS CD . 25326 1 363 . 1 1 41 41 LYS CE C 13 41.799 0.047 . . . . . A 235 LYS CE . 25326 1 364 . 1 1 41 41 LYS N N 15 119.730 0.039 . . . . . A 235 LYS N . 25326 1 365 . 1 1 42 42 HIS H H 1 7.310 0.008 . . . . . A 236 HIS H . 25326 1 366 . 1 1 42 42 HIS HA H 1 5.137 0.011 . . . . . A 236 HIS HA . 25326 1 367 . 1 1 42 42 HIS HB2 H 1 3.206 0.012 . . . . . A 236 HIS HB2 . 25326 1 368 . 1 1 42 42 HIS HB3 H 1 2.803 0.008 . . . . . A 236 HIS HB3 . 25326 1 369 . 1 1 42 42 HIS HD2 H 1 7.046 0.010 . . . . . A 236 HIS HD2 . 25326 1 370 . 1 1 42 42 HIS HE1 H 1 7.880 0.003 . . . . . A 236 HIS HE1 . 25326 1 371 . 1 1 42 42 HIS CA C 13 52.211 0.102 . . . . . A 236 HIS CA . 25326 1 372 . 1 1 42 42 HIS CB C 13 27.960 0.099 . . . . . A 236 HIS CB . 25326 1 373 . 1 1 42 42 HIS CD2 C 13 119.412 0.229 . . . . . A 236 HIS CD2 . 25326 1 374 . 1 1 42 42 HIS N N 15 113.320 0.045 . . . . . A 236 HIS N . 25326 1 375 . 1 1 43 43 PRO HA H 1 4.441 0.008 . . . . . A 237 PRO HA . 25326 1 376 . 1 1 43 43 PRO HB2 H 1 1.727 0.014 . . . . . A 237 PRO HB2 . 25326 1 377 . 1 1 43 43 PRO HB3 H 1 2.180 0.014 . . . . . A 237 PRO HB3 . 25326 1 378 . 1 1 43 43 PRO HG2 H 1 1.863 0.011 . . . . . A 237 PRO HG2 . 25326 1 379 . 1 1 43 43 PRO HG3 H 1 1.460 0.006 . . . . . A 237 PRO HG3 . 25326 1 380 . 1 1 43 43 PRO HD2 H 1 3.567 0.015 . . . . . A 237 PRO HD2 . 25326 1 381 . 1 1 43 43 PRO HD3 H 1 3.271 0.007 . . . . . A 237 PRO HD3 . 25326 1 382 . 1 1 43 43 PRO CA C 13 64.494 0.042 . . . . . A 237 PRO CA . 25326 1 383 . 1 1 43 43 PRO CB C 13 32.032 0.082 . . . . . A 237 PRO CB . 25326 1 384 . 1 1 43 43 PRO CG C 13 26.734 0.052 . . . . . A 237 PRO CG . 25326 1 385 . 1 1 43 43 PRO CD C 13 50.277 0.091 . . . . . A 237 PRO CD . 25326 1 386 . 1 1 44 44 HIS H H 1 8.486 0.011 . . . . . A 238 HIS H . 25326 1 387 . 1 1 44 44 HIS HA H 1 4.796 0.004 . . . . . A 238 HIS HA . 25326 1 388 . 1 1 44 44 HIS HB2 H 1 3.287 0.007 . . . . . A 238 HIS HB2 . 25326 1 389 . 1 1 44 44 HIS HB3 H 1 3.139 0.009 . . . . . A 238 HIS HB3 . 25326 1 390 . 1 1 44 44 HIS CA C 13 55.609 0.055 . . . . . A 238 HIS CA . 25326 1 391 . 1 1 44 44 HIS CB C 13 29.851 0.071 . . . . . A 238 HIS CB . 25326 1 392 . 1 1 44 44 HIS N N 15 116.641 0.045 . . . . . A 238 HIS N . 25326 1 393 . 1 1 45 45 LEU H H 1 7.011 0.007 . . . . . A 239 LEU H . 25326 1 394 . 1 1 45 45 LEU HA H 1 4.237 0.009 . . . . . A 239 LEU HA . 25326 1 395 . 1 1 45 45 LEU HB2 H 1 1.502 0.010 . . . . . A 239 LEU HB2 . 25326 1 396 . 1 1 45 45 LEU HB3 H 1 1.643 0.007 . . . . . A 239 LEU HB3 . 25326 1 397 . 1 1 45 45 LEU HG H 1 1.527 0.008 . . . . . A 239 LEU HG . 25326 1 398 . 1 1 45 45 LEU HD11 H 1 0.768 0.008 . . . . . A 239 LEU HD11 . 25326 1 399 . 1 1 45 45 LEU HD12 H 1 0.768 0.008 . . . . . A 239 LEU HD12 . 25326 1 400 . 1 1 45 45 LEU HD13 H 1 0.768 0.008 . . . . . A 239 LEU HD13 . 25326 1 401 . 1 1 45 45 LEU HD21 H 1 0.680 0.012 . . . . . A 239 LEU HD21 . 25326 1 402 . 1 1 45 45 LEU HD22 H 1 0.680 0.012 . . . . . A 239 LEU HD22 . 25326 1 403 . 1 1 45 45 LEU HD23 H 1 0.680 0.012 . . . . . A 239 LEU HD23 . 25326 1 404 . 1 1 45 45 LEU CA C 13 54.840 0.047 . . . . . A 239 LEU CA . 25326 1 405 . 1 1 45 45 LEU CB C 13 43.022 0.084 . . . . . A 239 LEU CB . 25326 1 406 . 1 1 45 45 LEU CG C 13 26.618 0.101 . . . . . A 239 LEU CG . 25326 1 407 . 1 1 45 45 LEU CD1 C 13 25.006 0.096 . . . . . A 239 LEU CD1 . 25326 1 408 . 1 1 45 45 LEU CD2 C 13 24.885 0.044 . . . . . A 239 LEU CD2 . 25326 1 409 . 1 1 45 45 LEU N N 15 122.240 0.041 . . . . . A 239 LEU N . 25326 1 410 . 1 1 46 46 PHE H H 1 9.304 0.006 . . . . . A 240 PHE H . 25326 1 411 . 1 1 46 46 PHE HA H 1 3.975 0.013 . . . . . A 240 PHE HA . 25326 1 412 . 1 1 46 46 PHE HB2 H 1 2.583 0.009 . . . . . A 240 PHE HB2 . 25326 1 413 . 1 1 46 46 PHE HB3 H 1 2.455 0.009 . . . . . A 240 PHE HB3 . 25326 1 414 . 1 1 46 46 PHE HD1 H 1 6.864 0.009 . . . . . A 240 PHE HD1 . 25326 1 415 . 1 1 46 46 PHE HD2 H 1 6.864 0.009 . . . . . A 240 PHE HD2 . 25326 1 416 . 1 1 46 46 PHE HE1 H 1 7.192 0.010 . . . . . A 240 PHE HE1 . 25326 1 417 . 1 1 46 46 PHE HE2 H 1 7.192 0.010 . . . . . A 240 PHE HE2 . 25326 1 418 . 1 1 46 46 PHE HZ H 1 7.225 0.009 . . . . . A 240 PHE HZ . 25326 1 419 . 1 1 46 46 PHE CA C 13 59.793 0.086 . . . . . A 240 PHE CA . 25326 1 420 . 1 1 46 46 PHE CB C 13 38.014 0.075 . . . . . A 240 PHE CB . 25326 1 421 . 1 1 46 46 PHE CD1 C 13 129.125 0.049 . . . . . A 240 PHE CD1 . 25326 1 422 . 1 1 46 46 PHE CD2 C 13 129.125 0.049 . . . . . A 240 PHE CD2 . 25326 1 423 . 1 1 46 46 PHE CE1 C 13 131.306 0.041 . . . . . A 240 PHE CE1 . 25326 1 424 . 1 1 46 46 PHE CE2 C 13 131.306 0.041 . . . . . A 240 PHE CE2 . 25326 1 425 . 1 1 46 46 PHE CZ C 13 129.036 0.020 . . . . . A 240 PHE CZ . 25326 1 426 . 1 1 46 46 PHE N N 15 128.371 0.055 . . . . . A 240 PHE N . 25326 1 427 . 1 1 47 47 LYS H H 1 6.755 0.007 . . . . . A 241 LYS H . 25326 1 428 . 1 1 47 47 LYS HA H 1 4.583 0.009 . . . . . A 241 LYS HA . 25326 1 429 . 1 1 47 47 LYS HB2 H 1 1.074 0.013 . . . . . A 241 LYS HB2 . 25326 1 430 . 1 1 47 47 LYS HB3 H 1 1.336 0.013 . . . . . A 241 LYS HB3 . 25326 1 431 . 1 1 47 47 LYS HG2 H 1 1.202 0.011 . . . . . A 241 LYS HG2 . 25326 1 432 . 1 1 47 47 LYS HG3 H 1 0.663 0.008 . . . . . A 241 LYS HG3 . 25326 1 433 . 1 1 47 47 LYS HD2 H 1 1.025 0.006 . . . . . A 241 LYS HD2 . 25326 1 434 . 1 1 47 47 LYS HD3 H 1 1.025 0.006 . . . . . A 241 LYS HD3 . 25326 1 435 . 1 1 47 47 LYS HE2 H 1 2.151 0.008 . . . . . A 241 LYS HE2 . 25326 1 436 . 1 1 47 47 LYS HE3 H 1 2.151 0.008 . . . . . A 241 LYS HE3 . 25326 1 437 . 1 1 47 47 LYS CA C 13 53.883 0.118 . . . . . A 241 LYS CA . 25326 1 438 . 1 1 47 47 LYS CB C 13 35.681 0.091 . . . . . A 241 LYS CB . 25326 1 439 . 1 1 47 47 LYS CG C 13 22.428 0.124 . . . . . A 241 LYS CG . 25326 1 440 . 1 1 47 47 LYS CD C 13 29.753 0.094 . . . . . A 241 LYS CD . 25326 1 441 . 1 1 47 47 LYS CE C 13 41.365 0.102 . . . . . A 241 LYS CE . 25326 1 442 . 1 1 47 47 LYS N N 15 121.273 0.056 . . . . . A 241 LYS N . 25326 1 443 . 1 1 48 48 TYR H H 1 8.494 0.005 . . . . . A 242 TYR H . 25326 1 444 . 1 1 48 48 TYR HA H 1 4.269 0.009 . . . . . A 242 TYR HA . 25326 1 445 . 1 1 48 48 TYR HB2 H 1 2.746 0.011 . . . . . A 242 TYR HB2 . 25326 1 446 . 1 1 48 48 TYR HB3 H 1 2.590 0.012 . . . . . A 242 TYR HB3 . 25326 1 447 . 1 1 48 48 TYR HD1 H 1 6.522 0.010 . . . . . A 242 TYR HD1 . 25326 1 448 . 1 1 48 48 TYR HD2 H 1 6.522 0.010 . . . . . A 242 TYR HD2 . 25326 1 449 . 1 1 48 48 TYR HE1 H 1 6.463 0.002 . . . . . A 242 TYR HE1 . 25326 1 450 . 1 1 48 48 TYR HE2 H 1 6.463 0.002 . . . . . A 242 TYR HE2 . 25326 1 451 . 1 1 48 48 TYR CA C 13 55.535 0.095 . . . . . A 242 TYR CA . 25326 1 452 . 1 1 48 48 TYR CB C 13 42.003 0.029 . . . . . A 242 TYR CB . 25326 1 453 . 1 1 48 48 TYR CD1 C 13 133.264 0.075 . . . . . A 242 TYR CD1 . 25326 1 454 . 1 1 48 48 TYR CD2 C 13 133.264 0.075 . . . . . A 242 TYR CD2 . 25326 1 455 . 1 1 48 48 TYR CE1 C 13 118.025 0.085 . . . . . A 242 TYR CE1 . 25326 1 456 . 1 1 48 48 TYR CE2 C 13 118.025 0.085 . . . . . A 242 TYR CE2 . 25326 1 457 . 1 1 48 48 TYR N N 15 122.918 0.038 . . . . . A 242 TYR N . 25326 1 458 . 1 1 49 49 ALA H H 1 7.526 0.009 . . . . . A 243 ALA H . 25326 1 459 . 1 1 49 49 ALA HA H 1 3.852 0.013 . . . . . A 243 ALA HA . 25326 1 460 . 1 1 49 49 ALA HB1 H 1 0.758 0.014 . . . . . A 243 ALA HB1 . 25326 1 461 . 1 1 49 49 ALA HB2 H 1 0.758 0.014 . . . . . A 243 ALA HB2 . 25326 1 462 . 1 1 49 49 ALA HB3 H 1 0.758 0.014 . . . . . A 243 ALA HB3 . 25326 1 463 . 1 1 49 49 ALA CA C 13 50.556 0.131 . . . . . A 243 ALA CA . 25326 1 464 . 1 1 49 49 ALA CB C 13 17.793 0.063 . . . . . A 243 ALA CB . 25326 1 465 . 1 1 49 49 ALA N N 15 131.865 0.055 . . . . . A 243 ALA N . 25326 1 466 . 1 1 50 50 ALA H H 1 7.647 0.009 . . . . . A 244 ALA H . 25326 1 467 . 1 1 50 50 ALA HA H 1 4.242 0.009 . . . . . A 244 ALA HA . 25326 1 468 . 1 1 50 50 ALA HB1 H 1 1.138 0.012 . . . . . A 244 ALA HB1 . 25326 1 469 . 1 1 50 50 ALA HB2 H 1 1.138 0.012 . . . . . A 244 ALA HB2 . 25326 1 470 . 1 1 50 50 ALA HB3 H 1 1.138 0.012 . . . . . A 244 ALA HB3 . 25326 1 471 . 1 1 50 50 ALA CA C 13 51.663 0.075 . . . . . A 244 ALA CA . 25326 1 472 . 1 1 50 50 ALA CB C 13 19.037 0.133 . . . . . A 244 ALA CB . 25326 1 473 . 1 1 50 50 ALA N N 15 126.294 0.054 . . . . . A 244 ALA N . 25326 1 474 . 1 1 51 51 ASP H H 1 9.593 0.006 . . . . . A 245 ASP H . 25326 1 475 . 1 1 51 51 ASP HA H 1 4.705 0.015 . . . . . A 245 ASP HA . 25326 1 476 . 1 1 51 51 ASP HB2 H 1 2.633 0.012 . . . . . A 245 ASP HB2 . 25326 1 477 . 1 1 51 51 ASP HB3 H 1 3.332 0.007 . . . . . A 245 ASP HB3 . 25326 1 478 . 1 1 51 51 ASP CA C 13 52.393 0.047 . . . . . A 245 ASP CA . 25326 1 479 . 1 1 51 51 ASP CB C 13 39.304 0.067 . . . . . A 245 ASP CB . 25326 1 480 . 1 1 51 51 ASP N N 15 128.853 0.055 . . . . . A 245 ASP N . 25326 1 481 . 1 1 52 52 PRO HA H 1 4.074 0.008 . . . . . A 246 PRO HA . 25326 1 482 . 1 1 52 52 PRO HB2 H 1 1.814 0.014 . . . . . A 246 PRO HB2 . 25326 1 483 . 1 1 52 52 PRO HB3 H 1 2.329 0.011 . . . . . A 246 PRO HB3 . 25326 1 484 . 1 1 52 52 PRO HD2 H 1 3.618 0.049 . . . . . A 246 PRO HD2 . 25326 1 485 . 1 1 52 52 PRO CA C 13 67.122 0.033 . . . . . A 246 PRO CA . 25326 1 486 . 1 1 52 52 PRO CB C 13 31.990 0.038 . . . . . A 246 PRO CB . 25326 1 487 . 1 1 52 52 PRO CD C 13 50.565 0.141 . . . . . A 246 PRO CD . 25326 1 488 . 1 1 53 53 GLN H H 1 7.808 0.005 . . . . . A 247 GLN H . 25326 1 489 . 1 1 53 53 GLN HA H 1 4.107 0.012 . . . . . A 247 GLN HA . 25326 1 490 . 1 1 53 53 GLN HB2 H 1 2.156 0.013 . . . . . A 247 GLN HB2 . 25326 1 491 . 1 1 53 53 GLN HB3 H 1 2.024 0.007 . . . . . A 247 GLN HB3 . 25326 1 492 . 1 1 53 53 GLN HG2 H 1 2.188 0.012 . . . . . A 247 GLN HG2 . 25326 1 493 . 1 1 53 53 GLN HG3 H 1 2.188 0.012 . . . . . A 247 GLN HG3 . 25326 1 494 . 1 1 53 53 GLN CA C 13 58.965 0.041 . . . . . A 247 GLN CA . 25326 1 495 . 1 1 53 53 GLN CB C 13 28.306 0.075 . . . . . A 247 GLN CB . 25326 1 496 . 1 1 53 53 GLN CG C 13 34.168 0.048 . . . . . A 247 GLN CG . 25326 1 497 . 1 1 53 53 GLN N N 15 119.967 0.026 . . . . . A 247 GLN N . 25326 1 498 . 1 1 54 54 ASP H H 1 8.960 0.006 . . . . . A 248 ASP H . 25326 1 499 . 1 1 54 54 ASP HA H 1 4.693 0.009 . . . . . A 248 ASP HA . 25326 1 500 . 1 1 54 54 ASP HB2 H 1 3.233 0.015 . . . . . A 248 ASP HB2 . 25326 1 501 . 1 1 54 54 ASP HB3 H 1 2.744 0.010 . . . . . A 248 ASP HB3 . 25326 1 502 . 1 1 54 54 ASP CA C 13 57.904 0.079 . . . . . A 248 ASP CA . 25326 1 503 . 1 1 54 54 ASP CB C 13 41.358 0.115 . . . . . A 248 ASP CB . 25326 1 504 . 1 1 54 54 ASP N N 15 125.635 0.043 . . . . . A 248 ASP N . 25326 1 505 . 1 1 55 55 LYS H H 1 9.137 0.007 . . . . . A 249 LYS H . 25326 1 506 . 1 1 55 55 LYS HA H 1 3.852 0.006 . . . . . A 249 LYS HA . 25326 1 507 . 1 1 55 55 LYS HB2 H 1 1.790 0.004 . . . . . A 249 LYS HB2 . 25326 1 508 . 1 1 55 55 LYS HB3 H 1 1.790 0.004 . . . . . A 249 LYS HB3 . 25326 1 509 . 1 1 55 55 LYS CA C 13 60.442 0.068 . . . . . A 249 LYS CA . 25326 1 510 . 1 1 55 55 LYS CB C 13 32.602 0.070 . . . . . A 249 LYS CB . 25326 1 511 . 1 1 55 55 LYS N N 15 117.913 0.062 . . . . . A 249 LYS N . 25326 1 512 . 1 1 56 56 HIS H H 1 7.995 0.006 . . . . . A 250 HIS H . 25326 1 513 . 1 1 56 56 HIS HA H 1 4.277 0.009 . . . . . A 250 HIS HA . 25326 1 514 . 1 1 56 56 HIS HB2 H 1 3.284 0.010 . . . . . A 250 HIS HB2 . 25326 1 515 . 1 1 56 56 HIS HB3 H 1 3.418 0.009 . . . . . A 250 HIS HB3 . 25326 1 516 . 1 1 56 56 HIS HD2 H 1 7.173 0.006 . . . . . A 250 HIS HD2 . 25326 1 517 . 1 1 56 56 HIS HE1 H 1 8.065 0.011 . . . . . A 250 HIS HE1 . 25326 1 518 . 1 1 56 56 HIS CA C 13 62.401 0.200 . . . . . A 250 HIS CA . 25326 1 519 . 1 1 56 56 HIS CB C 13 29.121 0.061 . . . . . A 250 HIS CB . 25326 1 520 . 1 1 56 56 HIS CD2 C 13 119.992 0.172 . . . . . A 250 HIS CD2 . 25326 1 521 . 1 1 56 56 HIS CE1 C 13 138.223 0.200 . . . . . A 250 HIS CE1 . 25326 1 522 . 1 1 56 56 HIS N N 15 118.898 0.074 . . . . . A 250 HIS N . 25326 1 523 . 1 1 57 57 TRP H H 1 7.796 0.007 . . . . . A 251 TRP H . 25326 1 524 . 1 1 57 57 TRP HA H 1 4.146 0.009 . . . . . A 251 TRP HA . 25326 1 525 . 1 1 57 57 TRP HB2 H 1 3.708 0.010 . . . . . A 251 TRP HB2 . 25326 1 526 . 1 1 57 57 TRP HB3 H 1 3.708 0.010 . . . . . A 251 TRP HB3 . 25326 1 527 . 1 1 57 57 TRP HD1 H 1 7.181 0.012 . . . . . A 251 TRP HD1 . 25326 1 528 . 1 1 57 57 TRP HE1 H 1 10.242 0.005 . . . . . A 251 TRP HE1 . 25326 1 529 . 1 1 57 57 TRP HE3 H 1 7.284 0.002 . . . . . A 251 TRP HE3 . 25326 1 530 . 1 1 57 57 TRP HZ2 H 1 7.238 0.006 . . . . . A 251 TRP HZ2 . 25326 1 531 . 1 1 57 57 TRP HZ3 H 1 6.954 0.007 . . . . . A 251 TRP HZ3 . 25326 1 532 . 1 1 57 57 TRP HH2 H 1 7.059 0.006 . . . . . A 251 TRP HH2 . 25326 1 533 . 1 1 57 57 TRP CA C 13 62.942 0.031 . . . . . A 251 TRP CA . 25326 1 534 . 1 1 57 57 TRP CB C 13 29.154 0.056 . . . . . A 251 TRP CB . 25326 1 535 . 1 1 57 57 TRP CD1 C 13 126.948 0.200 . . . . . A 251 TRP CD1 . 25326 1 536 . 1 1 57 57 TRP CE3 C 13 122.592 0.032 . . . . . A 251 TRP CE3 . 25326 1 537 . 1 1 57 57 TRP CZ2 C 13 115.267 0.063 . . . . . A 251 TRP CZ2 . 25326 1 538 . 1 1 57 57 TRP CZ3 C 13 120.672 0.154 . . . . . A 251 TRP CZ3 . 25326 1 539 . 1 1 57 57 TRP CH2 C 13 125.127 0.044 . . . . . A 251 TRP CH2 . 25326 1 540 . 1 1 57 57 TRP N N 15 120.654 0.098 . . . . . A 251 TRP N . 25326 1 541 . 1 1 57 57 TRP NE1 N 15 129.580 0.200 . . . . . A 251 TRP NE1 . 25326 1 542 . 1 1 58 58 LEU H H 1 8.777 0.005 . . . . . A 252 LEU H . 25326 1 543 . 1 1 58 58 LEU HA H 1 3.479 0.011 . . . . . A 252 LEU HA . 25326 1 544 . 1 1 58 58 LEU HB2 H 1 1.099 0.009 . . . . . A 252 LEU HB2 . 25326 1 545 . 1 1 58 58 LEU HB3 H 1 2.115 0.004 . . . . . A 252 LEU HB3 . 25326 1 546 . 1 1 58 58 LEU HG H 1 2.203 0.004 . . . . . A 252 LEU HG . 25326 1 547 . 1 1 58 58 LEU HD11 H 1 0.827 0.004 . . . . . A 252 LEU HD11 . 25326 1 548 . 1 1 58 58 LEU HD12 H 1 0.827 0.004 . . . . . A 252 LEU HD12 . 25326 1 549 . 1 1 58 58 LEU HD13 H 1 0.827 0.004 . . . . . A 252 LEU HD13 . 25326 1 550 . 1 1 58 58 LEU HD21 H 1 0.950 0.007 . . . . . A 252 LEU HD21 . 25326 1 551 . 1 1 58 58 LEU HD22 H 1 0.950 0.007 . . . . . A 252 LEU HD22 . 25326 1 552 . 1 1 58 58 LEU HD23 H 1 0.950 0.007 . . . . . A 252 LEU HD23 . 25326 1 553 . 1 1 58 58 LEU CA C 13 58.351 0.040 . . . . . A 252 LEU CA . 25326 1 554 . 1 1 58 58 LEU CB C 13 42.833 0.021 . . . . . A 252 LEU CB . 25326 1 555 . 1 1 58 58 LEU CG C 13 27.815 0.045 . . . . . A 252 LEU CG . 25326 1 556 . 1 1 58 58 LEU CD1 C 13 25.880 0.063 . . . . . A 252 LEU CD1 . 25326 1 557 . 1 1 58 58 LEU CD2 C 13 25.026 0.029 . . . . . A 252 LEU CD2 . 25326 1 558 . 1 1 58 58 LEU N N 15 117.739 0.049 . . . . . A 252 LEU N . 25326 1 559 . 1 1 59 59 ALA H H 1 8.182 0.005 . . . . . A 253 ALA H . 25326 1 560 . 1 1 59 59 ALA HA H 1 3.670 0.014 . . . . . A 253 ALA HA . 25326 1 561 . 1 1 59 59 ALA HB1 H 1 1.279 0.011 . . . . . A 253 ALA HB1 . 25326 1 562 . 1 1 59 59 ALA HB2 H 1 1.279 0.011 . . . . . A 253 ALA HB2 . 25326 1 563 . 1 1 59 59 ALA HB3 H 1 1.279 0.011 . . . . . A 253 ALA HB3 . 25326 1 564 . 1 1 59 59 ALA CA C 13 54.242 0.039 . . . . . A 253 ALA CA . 25326 1 565 . 1 1 59 59 ALA CB C 13 18.356 0.114 . . . . . A 253 ALA CB . 25326 1 566 . 1 1 59 59 ALA N N 15 120.418 0.085 . . . . . A 253 ALA N . 25326 1 567 . 1 1 60 60 GLU H H 1 8.157 0.007 . . . . . A 254 GLU H . 25326 1 568 . 1 1 60 60 GLU HA H 1 3.595 0.014 . . . . . A 254 GLU HA . 25326 1 569 . 1 1 60 60 GLU HB2 H 1 1.782 0.009 . . . . . A 254 GLU HB2 . 25326 1 570 . 1 1 60 60 GLU HB3 H 1 1.782 0.009 . . . . . A 254 GLU HB3 . 25326 1 571 . 1 1 60 60 GLU HG2 H 1 1.990 0.010 . . . . . A 254 GLU HG2 . 25326 1 572 . 1 1 60 60 GLU HG3 H 1 1.878 0.008 . . . . . A 254 GLU HG3 . 25326 1 573 . 1 1 60 60 GLU CA C 13 59.031 0.069 . . . . . A 254 GLU CA . 25326 1 574 . 1 1 60 60 GLU CB C 13 29.477 0.018 . . . . . A 254 GLU CB . 25326 1 575 . 1 1 60 60 GLU CG C 13 36.609 0.065 . . . . . A 254 GLU CG . 25326 1 576 . 1 1 60 60 GLU N N 15 122.716 0.054 . . . . . A 254 GLU N . 25326 1 577 . 1 1 61 61 GLN H H 1 8.019 0.009 . . . . . A 255 GLN H . 25326 1 578 . 1 1 61 61 GLN HA H 1 4.005 0.019 . . . . . A 255 GLN HA . 25326 1 579 . 1 1 61 61 GLN HB2 H 1 2.252 0.004 . . . . . A 255 GLN HB2 . 25326 1 580 . 1 1 61 61 GLN HB3 H 1 2.038 0.020 . . . . . A 255 GLN HB3 . 25326 1 581 . 1 1 61 61 GLN HG2 H 1 2.433 0.005 . . . . . A 255 GLN HG2 . 25326 1 582 . 1 1 61 61 GLN HG3 H 1 2.433 0.005 . . . . . A 255 GLN HG3 . 25326 1 583 . 1 1 61 61 GLN CA C 13 59.246 0.139 . . . . . A 255 GLN CA . 25326 1 584 . 1 1 61 61 GLN CB C 13 29.680 0.050 . . . . . A 255 GLN CB . 25326 1 585 . 1 1 61 61 GLN CG C 13 36.347 0.033 . . . . . A 255 GLN CG . 25326 1 586 . 1 1 61 61 GLN N N 15 117.276 0.039 . . . . . A 255 GLN N . 25326 1 587 . 1 1 62 62 HIS H H 1 7.175 0.009 . . . . . A 256 HIS H . 25326 1 588 . 1 1 62 62 HIS HA H 1 3.488 0.014 . . . . . A 256 HIS HA . 25326 1 589 . 1 1 62 62 HIS HB2 H 1 1.366 0.013 . . . . . A 256 HIS HB2 . 25326 1 590 . 1 1 62 62 HIS HB3 H 1 0.489 0.007 . . . . . A 256 HIS HB3 . 25326 1 591 . 1 1 62 62 HIS HD2 H 1 6.687 0.003 . . . . . A 256 HIS HD2 . 25326 1 592 . 1 1 62 62 HIS HE1 H 1 8.017 0.008 . . . . . A 256 HIS HE1 . 25326 1 593 . 1 1 62 62 HIS CA C 13 53.970 0.111 . . . . . A 256 HIS CA . 25326 1 594 . 1 1 62 62 HIS CB C 13 27.474 0.066 . . . . . A 256 HIS CB . 25326 1 595 . 1 1 62 62 HIS CD2 C 13 118.189 0.200 . . . . . A 256 HIS CD2 . 25326 1 596 . 1 1 62 62 HIS CE1 C 13 139.168 0.168 . . . . . A 256 HIS CE1 . 25326 1 597 . 1 1 62 62 HIS N N 15 113.021 0.052 . . . . . A 256 HIS N . 25326 1 598 . 1 1 63 63 HIS H H 1 7.230 0.007 . . . . . A 257 HIS H . 25326 1 599 . 1 1 63 63 HIS HA H 1 4.010 0.010 . . . . . A 257 HIS HA . 25326 1 600 . 1 1 63 63 HIS HB2 H 1 3.177 0.008 . . . . . A 257 HIS HB2 . 25326 1 601 . 1 1 63 63 HIS HB3 H 1 3.177 0.008 . . . . . A 257 HIS HB3 . 25326 1 602 . 1 1 63 63 HIS CA C 13 56.480 0.140 . . . . . A 257 HIS CA . 25326 1 603 . 1 1 63 63 HIS CB C 13 25.323 0.102 . . . . . A 257 HIS CB . 25326 1 604 . 1 1 63 63 HIS N N 15 109.364 0.067 . . . . . A 257 HIS N . 25326 1 605 . 1 1 64 64 MET H H 1 7.945 0.003 . . . . . A 258 MET H . 25326 1 606 . 1 1 64 64 MET HA H 1 4.593 0.008 . . . . . A 258 MET HA . 25326 1 607 . 1 1 64 64 MET HB2 H 1 2.656 0.013 . . . . . A 258 MET HB2 . 25326 1 608 . 1 1 64 64 MET HB3 H 1 2.380 0.009 . . . . . A 258 MET HB3 . 25326 1 609 . 1 1 64 64 MET CA C 13 56.782 0.094 . . . . . A 258 MET CA . 25326 1 610 . 1 1 64 64 MET CB C 13 30.992 0.016 . . . . . A 258 MET CB . 25326 1 611 . 1 1 64 64 MET N N 15 116.266 0.068 . . . . . A 258 MET N . 25326 1 612 . 1 1 66 66 ALA HA H 1 4.223 0.012 . . . . . A 260 ALA HA . 25326 1 613 . 1 1 66 66 ALA HB1 H 1 1.256 0.008 . . . . . A 260 ALA HB1 . 25326 1 614 . 1 1 66 66 ALA HB2 H 1 1.256 0.008 . . . . . A 260 ALA HB2 . 25326 1 615 . 1 1 66 66 ALA HB3 H 1 1.256 0.008 . . . . . A 260 ALA HB3 . 25326 1 616 . 1 1 66 66 ALA CA C 13 52.374 0.077 . . . . . A 260 ALA CA . 25326 1 617 . 1 1 66 66 ALA CB C 13 19.248 0.114 . . . . . A 260 ALA CB . 25326 1 618 . 1 1 67 67 THR H H 1 8.403 0.005 . . . . . A 261 THR H . 25326 1 619 . 1 1 67 67 THR CA C 13 66.827 0.200 . . . . . A 261 THR CA . 25326 1 620 . 1 1 67 67 THR CB C 13 69.976 0.200 . . . . . A 261 THR CB . 25326 1 621 . 1 1 67 67 THR N N 15 119.662 0.050 . . . . . A 261 THR N . 25326 1 622 . 1 1 71 71 MET CA C 13 54.570 0.062 . . . . . A 265 MET CA . 25326 1 623 . 1 1 71 71 MET CB C 13 31.959 0.033 . . . . . A 265 MET CB . 25326 1 624 . 1 1 72 72 ALA H H 1 8.283 0.007 . . . . . A 266 ALA H . 25326 1 625 . 1 1 72 72 ALA HA H 1 4.577 0.009 . . . . . A 266 ALA HA . 25326 1 626 . 1 1 72 72 ALA HB1 H 1 1.024 0.020 . . . . . A 266 ALA HB1 . 25326 1 627 . 1 1 72 72 ALA HB2 H 1 1.024 0.020 . . . . . A 266 ALA HB2 . 25326 1 628 . 1 1 72 72 ALA HB3 H 1 1.024 0.020 . . . . . A 266 ALA HB3 . 25326 1 629 . 1 1 72 72 ALA CA C 13 51.300 0.077 . . . . . A 266 ALA CA . 25326 1 630 . 1 1 72 72 ALA CB C 13 20.857 0.068 . . . . . A 266 ALA CB . 25326 1 631 . 1 1 72 72 ALA N N 15 126.759 0.069 . . . . . A 266 ALA N . 25326 1 632 . 1 1 73 73 TYR H H 1 8.303 0.006 . . . . . A 267 TYR H . 25326 1 633 . 1 1 73 73 TYR HA H 1 5.356 0.005 . . . . . A 267 TYR HA . 25326 1 634 . 1 1 73 73 TYR HB2 H 1 2.536 0.013 . . . . . A 267 TYR HB2 . 25326 1 635 . 1 1 73 73 TYR HB3 H 1 2.721 0.011 . . . . . A 267 TYR HB3 . 25326 1 636 . 1 1 73 73 TYR HD1 H 1 6.528 0.004 . . . . . A 267 TYR HD1 . 25326 1 637 . 1 1 73 73 TYR HD2 H 1 6.528 0.004 . . . . . A 267 TYR HD2 . 25326 1 638 . 1 1 73 73 TYR HE1 H 1 6.356 0.006 . . . . . A 267 TYR HE1 . 25326 1 639 . 1 1 73 73 TYR HE2 H 1 6.356 0.006 . . . . . A 267 TYR HE2 . 25326 1 640 . 1 1 73 73 TYR CA C 13 56.633 0.065 . . . . . A 267 TYR CA . 25326 1 641 . 1 1 73 73 TYR CB C 13 41.965 0.088 . . . . . A 267 TYR CB . 25326 1 642 . 1 1 73 73 TYR CD1 C 13 133.102 0.050 . . . . . A 267 TYR CD1 . 25326 1 643 . 1 1 73 73 TYR CD2 C 13 133.102 0.050 . . . . . A 267 TYR CD2 . 25326 1 644 . 1 1 73 73 TYR CE1 C 13 117.690 0.086 . . . . . A 267 TYR CE1 . 25326 1 645 . 1 1 73 73 TYR CE2 C 13 117.690 0.086 . . . . . A 267 TYR CE2 . 25326 1 646 . 1 1 73 73 TYR N N 15 119.689 0.033 . . . . . A 267 TYR N . 25326 1 647 . 1 1 74 74 LEU H H 1 9.471 0.006 . . . . . A 268 LEU H . 25326 1 648 . 1 1 74 74 LEU HA H 1 5.292 0.012 . . . . . A 268 LEU HA . 25326 1 649 . 1 1 74 74 LEU HB2 H 1 1.862 0.015 . . . . . A 268 LEU HB2 . 25326 1 650 . 1 1 74 74 LEU HB3 H 1 1.279 0.013 . . . . . A 268 LEU HB3 . 25326 1 651 . 1 1 74 74 LEU HG H 1 1.686 0.005 . . . . . A 268 LEU HG . 25326 1 652 . 1 1 74 74 LEU HD11 H 1 0.867 0.013 . . . . . A 268 LEU HD11 . 25326 1 653 . 1 1 74 74 LEU HD12 H 1 0.867 0.013 . . . . . A 268 LEU HD12 . 25326 1 654 . 1 1 74 74 LEU HD13 H 1 0.867 0.013 . . . . . A 268 LEU HD13 . 25326 1 655 . 1 1 74 74 LEU HD21 H 1 1.029 0.007 . . . . . A 268 LEU HD21 . 25326 1 656 . 1 1 74 74 LEU HD22 H 1 1.029 0.007 . . . . . A 268 LEU HD22 . 25326 1 657 . 1 1 74 74 LEU HD23 H 1 1.029 0.007 . . . . . A 268 LEU HD23 . 25326 1 658 . 1 1 74 74 LEU CA C 13 53.855 0.083 . . . . . A 268 LEU CA . 25326 1 659 . 1 1 74 74 LEU CB C 13 44.900 0.081 . . . . . A 268 LEU CB . 25326 1 660 . 1 1 74 74 LEU CG C 13 27.998 0.070 . . . . . A 268 LEU CG . 25326 1 661 . 1 1 74 74 LEU CD1 C 13 26.460 0.065 . . . . . A 268 LEU CD1 . 25326 1 662 . 1 1 74 74 LEU CD2 C 13 25.408 0.057 . . . . . A 268 LEU CD2 . 25326 1 663 . 1 1 74 74 LEU N N 15 121.456 0.073 . . . . . A 268 LEU N . 25326 1 664 . 1 1 75 75 LEU H H 1 9.042 0.011 . . . . . A 269 LEU H . 25326 1 665 . 1 1 75 75 LEU HA H 1 4.926 0.008 . . . . . A 269 LEU HA . 25326 1 666 . 1 1 75 75 LEU HB2 H 1 1.906 0.010 . . . . . A 269 LEU HB2 . 25326 1 667 . 1 1 75 75 LEU HB3 H 1 1.110 0.010 . . . . . A 269 LEU HB3 . 25326 1 668 . 1 1 75 75 LEU HG H 1 1.930 0.003 . . . . . A 269 LEU HG . 25326 1 669 . 1 1 75 75 LEU HD11 H 1 0.886 0.015 . . . . . A 269 LEU HD11 . 25326 1 670 . 1 1 75 75 LEU HD12 H 1 0.886 0.015 . . . . . A 269 LEU HD12 . 25326 1 671 . 1 1 75 75 LEU HD13 H 1 0.886 0.015 . . . . . A 269 LEU HD13 . 25326 1 672 . 1 1 75 75 LEU HD21 H 1 0.846 0.020 . . . . . A 269 LEU HD21 . 25326 1 673 . 1 1 75 75 LEU HD22 H 1 0.846 0.020 . . . . . A 269 LEU HD22 . 25326 1 674 . 1 1 75 75 LEU HD23 H 1 0.846 0.020 . . . . . A 269 LEU HD23 . 25326 1 675 . 1 1 75 75 LEU CA C 13 53.734 0.074 . . . . . A 269 LEU CA . 25326 1 676 . 1 1 75 75 LEU CB C 13 44.471 0.089 . . . . . A 269 LEU CB . 25326 1 677 . 1 1 75 75 LEU CG C 13 28.734 0.055 . . . . . A 269 LEU CG . 25326 1 678 . 1 1 75 75 LEU CD1 C 13 27.221 0.044 . . . . . A 269 LEU CD1 . 25326 1 679 . 1 1 75 75 LEU N N 15 121.078 0.072 . . . . . A 269 LEU N . 25326 1 680 . 1 1 76 76 ILE H H 1 9.927 0.006 . . . . . A 270 ILE H . 25326 1 681 . 1 1 76 76 ILE HA H 1 3.564 0.010 . . . . . A 270 ILE HA . 25326 1 682 . 1 1 76 76 ILE HB H 1 1.663 0.011 . . . . . A 270 ILE HB . 25326 1 683 . 1 1 76 76 ILE HG12 H 1 1.708 0.007 . . . . . A 270 ILE HG12 . 25326 1 684 . 1 1 76 76 ILE HG13 H 1 0.518 0.015 . . . . . A 270 ILE HG13 . 25326 1 685 . 1 1 76 76 ILE HG21 H 1 0.618 0.011 . . . . . A 270 ILE HG21 . 25326 1 686 . 1 1 76 76 ILE HG22 H 1 0.618 0.011 . . . . . A 270 ILE HG22 . 25326 1 687 . 1 1 76 76 ILE HG23 H 1 0.618 0.011 . . . . . A 270 ILE HG23 . 25326 1 688 . 1 1 76 76 ILE HD11 H 1 0.486 0.012 . . . . . A 270 ILE HD11 . 25326 1 689 . 1 1 76 76 ILE HD12 H 1 0.486 0.012 . . . . . A 270 ILE HD12 . 25326 1 690 . 1 1 76 76 ILE HD13 H 1 0.486 0.012 . . . . . A 270 ILE HD13 . 25326 1 691 . 1 1 76 76 ILE CA C 13 62.260 0.086 . . . . . A 270 ILE CA . 25326 1 692 . 1 1 76 76 ILE CB C 13 38.165 0.067 . . . . . A 270 ILE CB . 25326 1 693 . 1 1 76 76 ILE CG1 C 13 29.132 0.099 . . . . . A 270 ILE CG1 . 25326 1 694 . 1 1 76 76 ILE CG2 C 13 18.517 0.025 . . . . . A 270 ILE CG2 . 25326 1 695 . 1 1 76 76 ILE CD1 C 13 13.369 0.042 . . . . . A 270 ILE CD1 . 25326 1 696 . 1 1 76 76 ILE N N 15 124.121 0.067 . . . . . A 270 ILE N . 25326 1 697 . 1 1 77 77 GLU H H 1 8.517 0.007 . . . . . A 271 GLU H . 25326 1 698 . 1 1 77 77 GLU HA H 1 3.314 0.010 . . . . . A 271 GLU HA . 25326 1 699 . 1 1 77 77 GLU HB2 H 1 1.941 0.010 . . . . . A 271 GLU HB2 . 25326 1 700 . 1 1 77 77 GLU HB3 H 1 1.245 0.014 . . . . . A 271 GLU HB3 . 25326 1 701 . 1 1 77 77 GLU HG2 H 1 1.964 0.014 . . . . . A 271 GLU HG2 . 25326 1 702 . 1 1 77 77 GLU HG3 H 1 1.826 0.009 . . . . . A 271 GLU HG3 . 25326 1 703 . 1 1 77 77 GLU CA C 13 60.851 0.096 . . . . . A 271 GLU CA . 25326 1 704 . 1 1 77 77 GLU CB C 13 28.291 0.091 . . . . . A 271 GLU CB . 25326 1 705 . 1 1 77 77 GLU CG C 13 35.583 0.036 . . . . . A 271 GLU CG . 25326 1 706 . 1 1 77 77 GLU N N 15 130.323 0.048 . . . . . A 271 GLU N . 25326 1 707 . 1 1 78 78 GLU H H 1 8.812 0.006 . . . . . A 272 GLU H . 25326 1 708 . 1 1 78 78 GLU HA H 1 3.684 0.012 . . . . . A 272 GLU HA . 25326 1 709 . 1 1 78 78 GLU HB2 H 1 1.583 0.010 . . . . . A 272 GLU HB2 . 25326 1 710 . 1 1 78 78 GLU HB3 H 1 1.861 0.009 . . . . . A 272 GLU HB3 . 25326 1 711 . 1 1 78 78 GLU HG2 H 1 2.147 0.011 . . . . . A 272 GLU HG2 . 25326 1 712 . 1 1 78 78 GLU HG3 H 1 2.038 0.009 . . . . . A 272 GLU HG3 . 25326 1 713 . 1 1 78 78 GLU CA C 13 59.172 0.082 . . . . . A 272 GLU CA . 25326 1 714 . 1 1 78 78 GLU CB C 13 30.137 0.068 . . . . . A 272 GLU CB . 25326 1 715 . 1 1 78 78 GLU CG C 13 35.381 0.124 . . . . . A 272 GLU CG . 25326 1 716 . 1 1 78 78 GLU N N 15 118.934 0.046 . . . . . A 272 GLU N . 25326 1 717 . 1 1 79 79 ASP H H 1 6.837 0.007 . . . . . A 273 ASP H . 25326 1 718 . 1 1 79 79 ASP HA H 1 4.244 0.011 . . . . . A 273 ASP HA . 25326 1 719 . 1 1 79 79 ASP HB2 H 1 3.024 0.011 . . . . . A 273 ASP HB2 . 25326 1 720 . 1 1 79 79 ASP HB3 H 1 2.478 0.012 . . . . . A 273 ASP HB3 . 25326 1 721 . 1 1 79 79 ASP CA C 13 57.165 0.138 . . . . . A 273 ASP CA . 25326 1 722 . 1 1 79 79 ASP CB C 13 39.678 0.040 . . . . . A 273 ASP CB . 25326 1 723 . 1 1 79 79 ASP N N 15 116.338 0.048 . . . . . A 273 ASP N . 25326 1 724 . 1 1 80 80 ILE H H 1 7.366 0.007 . . . . . A 274 ILE H . 25326 1 725 . 1 1 80 80 ILE HA H 1 3.624 0.011 . . . . . A 274 ILE HA . 25326 1 726 . 1 1 80 80 ILE HB H 1 2.104 0.011 . . . . . A 274 ILE HB . 25326 1 727 . 1 1 80 80 ILE HG12 H 1 1.688 0.010 . . . . . A 274 ILE HG12 . 25326 1 728 . 1 1 80 80 ILE HG13 H 1 0.927 0.015 . . . . . A 274 ILE HG13 . 25326 1 729 . 1 1 80 80 ILE HG21 H 1 0.672 0.012 . . . . . A 274 ILE HG21 . 25326 1 730 . 1 1 80 80 ILE HG22 H 1 0.672 0.012 . . . . . A 274 ILE HG22 . 25326 1 731 . 1 1 80 80 ILE HG23 H 1 0.672 0.012 . . . . . A 274 ILE HG23 . 25326 1 732 . 1 1 80 80 ILE HD11 H 1 0.502 0.010 . . . . . A 274 ILE HD11 . 25326 1 733 . 1 1 80 80 ILE HD12 H 1 0.502 0.010 . . . . . A 274 ILE HD12 . 25326 1 734 . 1 1 80 80 ILE HD13 H 1 0.502 0.010 . . . . . A 274 ILE HD13 . 25326 1 735 . 1 1 80 80 ILE CA C 13 61.129 0.049 . . . . . A 274 ILE CA . 25326 1 736 . 1 1 80 80 ILE CB C 13 34.519 0.055 . . . . . A 274 ILE CB . 25326 1 737 . 1 1 80 80 ILE CG1 C 13 26.546 0.050 . . . . . A 274 ILE CG1 . 25326 1 738 . 1 1 80 80 ILE CG2 C 13 18.109 0.077 . . . . . A 274 ILE CG2 . 25326 1 739 . 1 1 80 80 ILE CD1 C 13 9.466 0.040 . . . . . A 274 ILE CD1 . 25326 1 740 . 1 1 80 80 ILE N N 15 119.737 0.038 . . . . . A 274 ILE N . 25326 1 741 . 1 1 81 81 ARG H H 1 8.183 0.006 . . . . . A 275 ARG H . 25326 1 742 . 1 1 81 81 ARG HA H 1 3.771 0.010 . . . . . A 275 ARG HA . 25326 1 743 . 1 1 81 81 ARG HB2 H 1 1.784 0.006 . . . . . A 275 ARG HB2 . 25326 1 744 . 1 1 81 81 ARG HB3 H 1 1.625 0.012 . . . . . A 275 ARG HB3 . 25326 1 745 . 1 1 81 81 ARG HG2 H 1 1.869 0.013 . . . . . A 275 ARG HG2 . 25326 1 746 . 1 1 81 81 ARG HG3 H 1 1.869 0.013 . . . . . A 275 ARG HG3 . 25326 1 747 . 1 1 81 81 ARG HD2 H 1 3.079 0.011 . . . . . A 275 ARG HD2 . 25326 1 748 . 1 1 81 81 ARG HD3 H 1 3.130 0.015 . . . . . A 275 ARG HD3 . 25326 1 749 . 1 1 81 81 ARG HE H 1 7.220 0.001 . . . . . A 275 ARG HE . 25326 1 750 . 1 1 81 81 ARG CA C 13 60.470 0.079 . . . . . A 275 ARG CA . 25326 1 751 . 1 1 81 81 ARG CB C 13 28.523 0.090 . . . . . A 275 ARG CB . 25326 1 752 . 1 1 81 81 ARG CG C 13 30.500 0.108 . . . . . A 275 ARG CG . 25326 1 753 . 1 1 81 81 ARG CD C 13 43.388 0.023 . . . . . A 275 ARG CD . 25326 1 754 . 1 1 81 81 ARG N N 15 120.418 0.039 . . . . . A 275 ARG N . 25326 1 755 . 1 1 81 81 ARG NE N 15 90.914 0.029 . . . . . A 275 ARG NE . 25326 1 756 . 1 1 82 82 ASP H H 1 8.272 0.006 . . . . . A 276 ASP H . 25326 1 757 . 1 1 82 82 ASP HA H 1 4.296 0.009 . . . . . A 276 ASP HA . 25326 1 758 . 1 1 82 82 ASP HB2 H 1 2.693 0.010 . . . . . A 276 ASP HB2 . 25326 1 759 . 1 1 82 82 ASP HB3 H 1 2.514 0.018 . . . . . A 276 ASP HB3 . 25326 1 760 . 1 1 82 82 ASP CA C 13 57.347 0.068 . . . . . A 276 ASP CA . 25326 1 761 . 1 1 82 82 ASP CB C 13 40.097 0.067 . . . . . A 276 ASP CB . 25326 1 762 . 1 1 82 82 ASP N N 15 120.118 0.054 . . . . . A 276 ASP N . 25326 1 763 . 1 1 83 83 LEU H H 1 7.404 0.007 . . . . . A 277 LEU H . 25326 1 764 . 1 1 83 83 LEU HA H 1 4.019 0.010 . . . . . A 277 LEU HA . 25326 1 765 . 1 1 83 83 LEU HB2 H 1 1.268 0.011 . . . . . A 277 LEU HB2 . 25326 1 766 . 1 1 83 83 LEU HB3 H 1 1.699 0.007 . . . . . A 277 LEU HB3 . 25326 1 767 . 1 1 83 83 LEU HG H 1 1.527 0.012 . . . . . A 277 LEU HG . 25326 1 768 . 1 1 83 83 LEU HD11 H 1 0.396 0.014 . . . . . A 277 LEU HD11 . 25326 1 769 . 1 1 83 83 LEU HD12 H 1 0.396 0.014 . . . . . A 277 LEU HD12 . 25326 1 770 . 1 1 83 83 LEU HD13 H 1 0.396 0.014 . . . . . A 277 LEU HD13 . 25326 1 771 . 1 1 83 83 LEU HD21 H 1 0.396 0.014 . . . . . A 277 LEU HD21 . 25326 1 772 . 1 1 83 83 LEU HD22 H 1 0.396 0.014 . . . . . A 277 LEU HD22 . 25326 1 773 . 1 1 83 83 LEU HD23 H 1 0.396 0.014 . . . . . A 277 LEU HD23 . 25326 1 774 . 1 1 83 83 LEU CA C 13 57.869 0.062 . . . . . A 277 LEU CA . 25326 1 775 . 1 1 83 83 LEU CB C 13 41.844 0.037 . . . . . A 277 LEU CB . 25326 1 776 . 1 1 83 83 LEU CG C 13 25.999 0.078 . . . . . A 277 LEU CG . 25326 1 777 . 1 1 83 83 LEU CD1 C 13 24.203 0.101 . . . . . A 277 LEU CD1 . 25326 1 778 . 1 1 83 83 LEU CD2 C 13 23.813 0.069 . . . . . A 277 LEU CD2 . 25326 1 779 . 1 1 83 83 LEU N N 15 121.174 0.080 . . . . . A 277 LEU N . 25326 1 780 . 1 1 84 84 ALA H H 1 8.246 0.005 . . . . . A 278 ALA H . 25326 1 781 . 1 1 84 84 ALA HA H 1 3.671 0.011 . . . . . A 278 ALA HA . 25326 1 782 . 1 1 84 84 ALA HB1 H 1 1.277 0.013 . . . . . A 278 ALA HB1 . 25326 1 783 . 1 1 84 84 ALA HB2 H 1 1.277 0.013 . . . . . A 278 ALA HB2 . 25326 1 784 . 1 1 84 84 ALA HB3 H 1 1.277 0.013 . . . . . A 278 ALA HB3 . 25326 1 785 . 1 1 84 84 ALA CA C 13 54.747 0.056 . . . . . A 278 ALA CA . 25326 1 786 . 1 1 84 84 ALA CB C 13 18.800 0.107 . . . . . A 278 ALA CB . 25326 1 787 . 1 1 84 84 ALA N N 15 121.717 0.043 . . . . . A 278 ALA N . 25326 1 788 . 1 1 85 85 ALA H H 1 7.095 0.007 . . . . . A 279 ALA H . 25326 1 789 . 1 1 85 85 ALA HA H 1 4.342 0.011 . . . . . A 279 ALA HA . 25326 1 790 . 1 1 85 85 ALA HB1 H 1 1.417 0.010 . . . . . A 279 ALA HB1 . 25326 1 791 . 1 1 85 85 ALA HB2 H 1 1.417 0.010 . . . . . A 279 ALA HB2 . 25326 1 792 . 1 1 85 85 ALA HB3 H 1 1.417 0.010 . . . . . A 279 ALA HB3 . 25326 1 793 . 1 1 85 85 ALA CA C 13 51.666 0.107 . . . . . A 279 ALA CA . 25326 1 794 . 1 1 85 85 ALA CB C 13 19.127 0.137 . . . . . A 279 ALA CB . 25326 1 795 . 1 1 85 85 ALA N N 15 116.194 0.062 . . . . . A 279 ALA N . 25326 1 796 . 1 1 86 86 SER H H 1 7.841 0.006 . . . . . A 280 SER H . 25326 1 797 . 1 1 86 86 SER HA H 1 4.539 0.013 . . . . . A 280 SER HA . 25326 1 798 . 1 1 86 86 SER HB2 H 1 4.327 0.011 . . . . . A 280 SER HB2 . 25326 1 799 . 1 1 86 86 SER HB3 H 1 4.261 0.013 . . . . . A 280 SER HB3 . 25326 1 800 . 1 1 86 86 SER CA C 13 58.587 0.106 . . . . . A 280 SER CA . 25326 1 801 . 1 1 86 86 SER CB C 13 65.688 0.083 . . . . . A 280 SER CB . 25326 1 802 . 1 1 86 86 SER N N 15 116.560 0.043 . . . . . A 280 SER N . 25326 1 803 . 1 1 87 87 ASP H H 1 9.053 0.008 . . . . . A 281 ASP H . 25326 1 804 . 1 1 87 87 ASP HA H 1 4.272 0.009 . . . . . A 281 ASP HA . 25326 1 805 . 1 1 87 87 ASP HB2 H 1 2.652 0.016 . . . . . A 281 ASP HB2 . 25326 1 806 . 1 1 87 87 ASP HB3 H 1 2.652 0.016 . . . . . A 281 ASP HB3 . 25326 1 807 . 1 1 87 87 ASP CA C 13 57.580 0.103 . . . . . A 281 ASP CA . 25326 1 808 . 1 1 87 87 ASP CB C 13 40.347 0.058 . . . . . A 281 ASP CB . 25326 1 809 . 1 1 87 87 ASP N N 15 121.168 0.039 . . . . . A 281 ASP N . 25326 1 810 . 1 1 88 88 ASP H H 1 7.818 0.008 . . . . . A 282 ASP H . 25326 1 811 . 1 1 88 88 ASP HA H 1 4.208 0.011 . . . . . A 282 ASP HA . 25326 1 812 . 1 1 88 88 ASP HB2 H 1 2.284 0.006 . . . . . A 282 ASP HB2 . 25326 1 813 . 1 1 88 88 ASP HB3 H 1 2.139 0.010 . . . . . A 282 ASP HB3 . 25326 1 814 . 1 1 88 88 ASP CA C 13 56.730 0.103 . . . . . A 282 ASP CA . 25326 1 815 . 1 1 88 88 ASP CB C 13 41.668 0.029 . . . . . A 282 ASP CB . 25326 1 816 . 1 1 88 88 ASP N N 15 116.739 0.051 . . . . . A 282 ASP N . 25326 1 817 . 1 1 89 89 TYR H H 1 7.125 0.009 . . . . . A 283 TYR H . 25326 1 818 . 1 1 89 89 TYR HA H 1 4.611 0.012 . . . . . A 283 TYR HA . 25326 1 819 . 1 1 89 89 TYR HB2 H 1 2.788 0.011 . . . . . A 283 TYR HB2 . 25326 1 820 . 1 1 89 89 TYR HB3 H 1 3.236 0.013 . . . . . A 283 TYR HB3 . 25326 1 821 . 1 1 89 89 TYR HD1 H 1 7.014 0.009 . . . . . A 283 TYR HD1 . 25326 1 822 . 1 1 89 89 TYR HD2 H 1 7.014 0.009 . . . . . A 283 TYR HD2 . 25326 1 823 . 1 1 89 89 TYR HE1 H 1 6.844 0.003 . . . . . A 283 TYR HE1 . 25326 1 824 . 1 1 89 89 TYR HE2 H 1 6.844 0.003 . . . . . A 283 TYR HE2 . 25326 1 825 . 1 1 89 89 TYR CA C 13 59.294 0.057 . . . . . A 283 TYR CA . 25326 1 826 . 1 1 89 89 TYR CB C 13 41.159 0.064 . . . . . A 283 TYR CB . 25326 1 827 . 1 1 89 89 TYR CD1 C 13 134.047 0.047 . . . . . A 283 TYR CD1 . 25326 1 828 . 1 1 89 89 TYR CD2 C 13 134.047 0.047 . . . . . A 283 TYR CD2 . 25326 1 829 . 1 1 89 89 TYR CE1 C 13 118.469 0.074 . . . . . A 283 TYR CE1 . 25326 1 830 . 1 1 89 89 TYR CE2 C 13 118.469 0.074 . . . . . A 283 TYR CE2 . 25326 1 831 . 1 1 89 89 TYR N N 15 114.254 0.066 . . . . . A 283 TYR N . 25326 1 832 . 1 1 90 90 ARG H H 1 7.913 0.006 . . . . . A 284 ARG H . 25326 1 833 . 1 1 90 90 ARG HA H 1 4.122 0.022 . . . . . A 284 ARG HA . 25326 1 834 . 1 1 90 90 ARG CA C 13 59.059 0.096 . . . . . A 284 ARG CA . 25326 1 835 . 1 1 90 90 ARG CB C 13 29.806 0.091 . . . . . A 284 ARG CB . 25326 1 836 . 1 1 90 90 ARG CG C 13 28.747 0.200 . . . . . A 284 ARG CG . 25326 1 837 . 1 1 90 90 ARG N N 15 120.953 0.049 . . . . . A 284 ARG N . 25326 1 838 . 1 1 91 91 GLY H H 1 8.851 0.009 . . . . . A 285 GLY H . 25326 1 839 . 1 1 91 91 GLY HA2 H 1 3.877 0.014 . . . . . A 285 GLY HA2 . 25326 1 840 . 1 1 91 91 GLY HA3 H 1 3.877 0.014 . . . . . A 285 GLY HA3 . 25326 1 841 . 1 1 91 91 GLY CA C 13 44.842 0.096 . . . . . A 285 GLY CA . 25326 1 842 . 1 1 91 91 GLY N N 15 111.658 0.050 . . . . . A 285 GLY N . 25326 1 843 . 1 1 92 92 CYS H H 1 7.936 0.005 . . . . . A 286 CYS H . 25326 1 844 . 1 1 92 92 CYS HA H 1 4.326 0.011 . . . . . A 286 CYS HA . 25326 1 845 . 1 1 92 92 CYS HB2 H 1 3.226 0.010 . . . . . A 286 CYS HB2 . 25326 1 846 . 1 1 92 92 CYS HB3 H 1 3.031 0.010 . . . . . A 286 CYS HB3 . 25326 1 847 . 1 1 92 92 CYS CA C 13 59.520 0.107 . . . . . A 286 CYS CA . 25326 1 848 . 1 1 92 92 CYS CB C 13 27.590 0.140 . . . . . A 286 CYS CB . 25326 1 849 . 1 1 92 92 CYS N N 15 120.288 0.039 . . . . . A 286 CYS N . 25326 1 850 . 1 1 93 93 LEU H H 1 8.957 0.011 . . . . . A 287 LEU H . 25326 1 851 . 1 1 93 93 LEU HA H 1 4.304 0.012 . . . . . A 287 LEU HA . 25326 1 852 . 1 1 93 93 LEU HB2 H 1 1.661 0.008 . . . . . A 287 LEU HB2 . 25326 1 853 . 1 1 93 93 LEU HB3 H 1 1.661 0.008 . . . . . A 287 LEU HB3 . 25326 1 854 . 1 1 93 93 LEU HG H 1 1.728 0.011 . . . . . A 287 LEU HG . 25326 1 855 . 1 1 93 93 LEU HD11 H 1 0.901 0.011 . . . . . A 287 LEU HD11 . 25326 1 856 . 1 1 93 93 LEU HD12 H 1 0.901 0.011 . . . . . A 287 LEU HD12 . 25326 1 857 . 1 1 93 93 LEU HD13 H 1 0.901 0.011 . . . . . A 287 LEU HD13 . 25326 1 858 . 1 1 93 93 LEU HD21 H 1 0.830 0.011 . . . . . A 287 LEU HD21 . 25326 1 859 . 1 1 93 93 LEU HD22 H 1 0.830 0.011 . . . . . A 287 LEU HD22 . 25326 1 860 . 1 1 93 93 LEU HD23 H 1 0.830 0.011 . . . . . A 287 LEU HD23 . 25326 1 861 . 1 1 93 93 LEU CA C 13 56.207 0.079 . . . . . A 287 LEU CA . 25326 1 862 . 1 1 93 93 LEU CB C 13 41.657 0.045 . . . . . A 287 LEU CB . 25326 1 863 . 1 1 93 93 LEU CG C 13 26.998 0.060 . . . . . A 287 LEU CG . 25326 1 864 . 1 1 93 93 LEU CD1 C 13 25.015 0.082 . . . . . A 287 LEU CD1 . 25326 1 865 . 1 1 93 93 LEU CD2 C 13 22.690 0.030 . . . . . A 287 LEU CD2 . 25326 1 866 . 1 1 93 93 LEU N N 15 129.118 0.055 . . . . . A 287 LEU N . 25326 1 867 . 1 1 94 94 ASP H H 1 8.088 0.006 . . . . . A 288 ASP H . 25326 1 868 . 1 1 94 94 ASP HA H 1 4.713 0.007 . . . . . A 288 ASP HA . 25326 1 869 . 1 1 94 94 ASP HB2 H 1 2.872 0.008 . . . . . A 288 ASP HB2 . 25326 1 870 . 1 1 94 94 ASP HB3 H 1 2.484 0.012 . . . . . A 288 ASP HB3 . 25326 1 871 . 1 1 94 94 ASP CA C 13 53.918 0.059 . . . . . A 288 ASP CA . 25326 1 872 . 1 1 94 94 ASP CB C 13 41.662 0.051 . . . . . A 288 ASP CB . 25326 1 873 . 1 1 94 94 ASP N N 15 118.064 0.039 . . . . . A 288 ASP N . 25326 1 874 . 1 1 95 95 LEU H H 1 7.210 0.005 . . . . . A 289 LEU H . 25326 1 875 . 1 1 95 95 LEU HA H 1 4.119 0.013 . . . . . A 289 LEU HA . 25326 1 876 . 1 1 95 95 LEU HB2 H 1 1.755 0.010 . . . . . A 289 LEU HB2 . 25326 1 877 . 1 1 95 95 LEU HB3 H 1 1.473 0.010 . . . . . A 289 LEU HB3 . 25326 1 878 . 1 1 95 95 LEU HG H 1 1.725 0.012 . . . . . A 289 LEU HG . 25326 1 879 . 1 1 95 95 LEU HD11 H 1 0.981 0.011 . . . . . A 289 LEU HD11 . 25326 1 880 . 1 1 95 95 LEU HD12 H 1 0.981 0.011 . . . . . A 289 LEU HD12 . 25326 1 881 . 1 1 95 95 LEU HD13 H 1 0.981 0.011 . . . . . A 289 LEU HD13 . 25326 1 882 . 1 1 95 95 LEU HD21 H 1 0.852 0.013 . . . . . A 289 LEU HD21 . 25326 1 883 . 1 1 95 95 LEU HD22 H 1 0.852 0.013 . . . . . A 289 LEU HD22 . 25326 1 884 . 1 1 95 95 LEU HD23 H 1 0.852 0.013 . . . . . A 289 LEU HD23 . 25326 1 885 . 1 1 95 95 LEU CA C 13 55.881 0.085 . . . . . A 289 LEU CA . 25326 1 886 . 1 1 95 95 LEU CB C 13 42.477 0.087 . . . . . A 289 LEU CB . 25326 1 887 . 1 1 95 95 LEU CG C 13 27.114 0.047 . . . . . A 289 LEU CG . 25326 1 888 . 1 1 95 95 LEU CD1 C 13 25.604 0.057 . . . . . A 289 LEU CD1 . 25326 1 889 . 1 1 95 95 LEU CD2 C 13 23.976 0.060 . . . . . A 289 LEU CD2 . 25326 1 890 . 1 1 95 95 LEU N N 15 119.059 0.105 . . . . . A 289 LEU N . 25326 1 891 . 1 1 96 96 LYS H H 1 8.975 0.005 . . . . . A 290 LYS H . 25326 1 892 . 1 1 96 96 LYS HA H 1 4.783 0.009 . . . . . A 290 LYS HA . 25326 1 893 . 1 1 96 96 LYS HB2 H 1 1.607 0.006 . . . . . A 290 LYS HB2 . 25326 1 894 . 1 1 96 96 LYS HB3 H 1 1.798 0.020 . . . . . A 290 LYS HB3 . 25326 1 895 . 1 1 96 96 LYS HG2 H 1 1.322 0.003 . . . . . A 290 LYS HG2 . 25326 1 896 . 1 1 96 96 LYS HG3 H 1 1.379 0.010 . . . . . A 290 LYS HG3 . 25326 1 897 . 1 1 96 96 LYS HD2 H 1 1.663 0.020 . . . . . A 290 LYS HD2 . 25326 1 898 . 1 1 96 96 LYS HD3 H 1 1.593 0.012 . . . . . A 290 LYS HD3 . 25326 1 899 . 1 1 96 96 LYS HE2 H 1 2.945 0.002 . . . . . A 290 LYS HE2 . 25326 1 900 . 1 1 96 96 LYS HE3 H 1 2.945 0.002 . . . . . A 290 LYS HE3 . 25326 1 901 . 1 1 96 96 LYS CA C 13 54.063 0.092 . . . . . A 290 LYS CA . 25326 1 902 . 1 1 96 96 LYS CB C 13 33.425 0.086 . . . . . A 290 LYS CB . 25326 1 903 . 1 1 96 96 LYS CG C 13 24.527 0.138 . . . . . A 290 LYS CG . 25326 1 904 . 1 1 96 96 LYS CD C 13 29.130 0.040 . . . . . A 290 LYS CD . 25326 1 905 . 1 1 96 96 LYS CE C 13 42.123 0.034 . . . . . A 290 LYS CE . 25326 1 906 . 1 1 96 96 LYS N N 15 126.314 0.097 . . . . . A 290 LYS N . 25326 1 907 . 1 1 97 97 LEU H H 1 8.688 0.010 . . . . . A 291 LEU H . 25326 1 908 . 1 1 97 97 LEU HA H 1 3.789 0.011 . . . . . A 291 LEU HA . 25326 1 909 . 1 1 97 97 LEU HB2 H 1 1.727 0.013 . . . . . A 291 LEU HB2 . 25326 1 910 . 1 1 97 97 LEU HB3 H 1 1.421 0.011 . . . . . A 291 LEU HB3 . 25326 1 911 . 1 1 97 97 LEU HG H 1 1.639 0.010 . . . . . A 291 LEU HG . 25326 1 912 . 1 1 97 97 LEU HD11 H 1 0.787 0.013 . . . . . A 291 LEU HD11 . 25326 1 913 . 1 1 97 97 LEU HD12 H 1 0.787 0.013 . . . . . A 291 LEU HD12 . 25326 1 914 . 1 1 97 97 LEU HD13 H 1 0.787 0.013 . . . . . A 291 LEU HD13 . 25326 1 915 . 1 1 97 97 LEU HD21 H 1 0.599 0.010 . . . . . A 291 LEU HD21 . 25326 1 916 . 1 1 97 97 LEU HD22 H 1 0.599 0.010 . . . . . A 291 LEU HD22 . 25326 1 917 . 1 1 97 97 LEU HD23 H 1 0.599 0.010 . . . . . A 291 LEU HD23 . 25326 1 918 . 1 1 97 97 LEU CA C 13 57.885 0.063 . . . . . A 291 LEU CA . 25326 1 919 . 1 1 97 97 LEU CB C 13 40.313 0.058 . . . . . A 291 LEU CB . 25326 1 920 . 1 1 97 97 LEU CG C 13 27.456 0.068 . . . . . A 291 LEU CG . 25326 1 921 . 1 1 97 97 LEU CD1 C 13 25.240 0.062 . . . . . A 291 LEU CD1 . 25326 1 922 . 1 1 97 97 LEU CD2 C 13 22.466 0.059 . . . . . A 291 LEU CD2 . 25326 1 923 . 1 1 97 97 LEU N N 15 122.606 0.065 . . . . . A 291 LEU N . 25326 1 924 . 1 1 98 98 GLU H H 1 9.717 0.009 . . . . . A 292 GLU H . 25326 1 925 . 1 1 98 98 GLU HA H 1 4.155 0.006 . . . . . A 292 GLU HA . 25326 1 926 . 1 1 98 98 GLU HB2 H 1 1.999 0.013 . . . . . A 292 GLU HB2 . 25326 1 927 . 1 1 98 98 GLU HB3 H 1 1.999 0.013 . . . . . A 292 GLU HB3 . 25326 1 928 . 1 1 98 98 GLU HG2 H 1 2.305 0.009 . . . . . A 292 GLU HG2 . 25326 1 929 . 1 1 98 98 GLU HG3 H 1 2.174 0.010 . . . . . A 292 GLU HG3 . 25326 1 930 . 1 1 98 98 GLU CA C 13 58.700 0.078 . . . . . A 292 GLU CA . 25326 1 931 . 1 1 98 98 GLU CB C 13 28.090 0.078 . . . . . A 292 GLU CB . 25326 1 932 . 1 1 98 98 GLU CG C 13 36.017 0.115 . . . . . A 292 GLU CG . 25326 1 933 . 1 1 98 98 GLU N N 15 120.112 0.071 . . . . . A 292 GLU N . 25326 1 934 . 1 1 99 99 GLU H H 1 7.808 0.007 . . . . . A 293 GLU H . 25326 1 935 . 1 1 99 99 GLU HA H 1 4.158 0.014 . . . . . A 293 GLU HA . 25326 1 936 . 1 1 99 99 GLU HG2 H 1 2.274 0.019 . . . . . A 293 GLU HG2 . 25326 1 937 . 1 1 99 99 GLU HG3 H 1 2.274 0.019 . . . . . A 293 GLU HG3 . 25326 1 938 . 1 1 99 99 GLU CA C 13 56.458 0.150 . . . . . A 293 GLU CA . 25326 1 939 . 1 1 99 99 GLU CB C 13 29.620 0.085 . . . . . A 293 GLU CB . 25326 1 940 . 1 1 99 99 GLU CG C 13 36.337 0.073 . . . . . A 293 GLU CG . 25326 1 941 . 1 1 99 99 GLU N N 15 117.408 0.081 . . . . . A 293 GLU N . 25326 1 942 . 1 1 100 100 LEU H H 1 7.530 0.011 . . . . . A 294 LEU H . 25326 1 943 . 1 1 100 100 LEU HA H 1 3.840 0.008 . . . . . A 294 LEU HA . 25326 1 944 . 1 1 100 100 LEU HB2 H 1 1.377 0.017 . . . . . A 294 LEU HB2 . 25326 1 945 . 1 1 100 100 LEU HB3 H 1 1.704 0.009 . . . . . A 294 LEU HB3 . 25326 1 946 . 1 1 100 100 LEU HG H 1 1.587 0.009 . . . . . A 294 LEU HG . 25326 1 947 . 1 1 100 100 LEU HD11 H 1 0.745 0.006 . . . . . A 294 LEU HD11 . 25326 1 948 . 1 1 100 100 LEU HD12 H 1 0.745 0.006 . . . . . A 294 LEU HD12 . 25326 1 949 . 1 1 100 100 LEU HD13 H 1 0.745 0.006 . . . . . A 294 LEU HD13 . 25326 1 950 . 1 1 100 100 LEU HD21 H 1 0.595 0.003 . . . . . A 294 LEU HD21 . 25326 1 951 . 1 1 100 100 LEU HD22 H 1 0.595 0.003 . . . . . A 294 LEU HD22 . 25326 1 952 . 1 1 100 100 LEU HD23 H 1 0.595 0.003 . . . . . A 294 LEU HD23 . 25326 1 953 . 1 1 100 100 LEU CA C 13 56.424 0.118 . . . . . A 294 LEU CA . 25326 1 954 . 1 1 100 100 LEU CB C 13 40.885 0.150 . . . . . A 294 LEU CB . 25326 1 955 . 1 1 100 100 LEU CG C 13 26.880 0.200 . . . . . A 294 LEU CG . 25326 1 956 . 1 1 100 100 LEU CD1 C 13 25.552 0.104 . . . . . A 294 LEU CD1 . 25326 1 957 . 1 1 100 100 LEU CD2 C 13 24.016 0.006 . . . . . A 294 LEU CD2 . 25326 1 958 . 1 1 100 100 LEU N N 15 119.238 0.054 . . . . . A 294 LEU N . 25326 1 959 . 1 1 101 101 LYS H H 1 7.706 0.006 . . . . . A 295 LYS H . 25326 1 960 . 1 1 101 101 LYS HA H 1 3.859 0.020 . . . . . A 295 LYS HA . 25326 1 961 . 1 1 101 101 LYS CA C 13 55.701 0.060 . . . . . A 295 LYS CA . 25326 1 962 . 1 1 101 101 LYS CB C 13 31.985 0.077 . . . . . A 295 LYS CB . 25326 1 963 . 1 1 101 101 LYS N N 15 119.805 0.037 . . . . . A 295 LYS N . 25326 1 964 . 1 1 102 102 SER H H 1 8.216 0.007 . . . . . A 296 SER H . 25326 1 965 . 1 1 102 102 SER HA H 1 4.944 0.012 . . . . . A 296 SER HA . 25326 1 966 . 1 1 102 102 SER HB2 H 1 3.621 0.013 . . . . . A 296 SER HB2 . 25326 1 967 . 1 1 102 102 SER HB3 H 1 3.098 0.012 . . . . . A 296 SER HB3 . 25326 1 968 . 1 1 102 102 SER CA C 13 56.550 0.108 . . . . . A 296 SER CA . 25326 1 969 . 1 1 102 102 SER CB C 13 67.118 0.114 . . . . . A 296 SER CB . 25326 1 970 . 1 1 102 102 SER N N 15 116.965 0.039 . . . . . A 296 SER N . 25326 1 971 . 1 1 103 103 PHE H H 1 8.093 0.009 . . . . . A 297 PHE H . 25326 1 972 . 1 1 103 103 PHE HA H 1 5.083 0.010 . . . . . A 297 PHE HA . 25326 1 973 . 1 1 103 103 PHE HB2 H 1 3.147 0.013 . . . . . A 297 PHE HB2 . 25326 1 974 . 1 1 103 103 PHE HB3 H 1 3.049 0.010 . . . . . A 297 PHE HB3 . 25326 1 975 . 1 1 103 103 PHE HD1 H 1 6.876 0.009 . . . . . A 297 PHE HD1 . 25326 1 976 . 1 1 103 103 PHE HD2 H 1 6.876 0.009 . . . . . A 297 PHE HD2 . 25326 1 977 . 1 1 103 103 PHE HE1 H 1 7.751 0.008 . . . . . A 297 PHE HE1 . 25326 1 978 . 1 1 103 103 PHE HE2 H 1 7.751 0.008 . . . . . A 297 PHE HE2 . 25326 1 979 . 1 1 103 103 PHE HZ H 1 7.473 0.018 . . . . . A 297 PHE HZ . 25326 1 980 . 1 1 103 103 PHE CA C 13 55.237 0.081 . . . . . A 297 PHE CA . 25326 1 981 . 1 1 103 103 PHE CB C 13 40.370 0.061 . . . . . A 297 PHE CB . 25326 1 982 . 1 1 103 103 PHE CD1 C 13 133.530 0.034 . . . . . A 297 PHE CD1 . 25326 1 983 . 1 1 103 103 PHE CD2 C 13 133.530 0.034 . . . . . A 297 PHE CD2 . 25326 1 984 . 1 1 103 103 PHE CZ C 13 128.973 0.200 . . . . . A 297 PHE CZ . 25326 1 985 . 1 1 103 103 PHE N N 15 114.411 0.054 . . . . . A 297 PHE N . 25326 1 986 . 1 1 104 104 VAL H H 1 7.947 0.006 . . . . . A 298 VAL H . 25326 1 987 . 1 1 104 104 VAL HA H 1 4.988 0.008 . . . . . A 298 VAL HA . 25326 1 988 . 1 1 104 104 VAL HB H 1 2.453 0.008 . . . . . A 298 VAL HB . 25326 1 989 . 1 1 104 104 VAL HG11 H 1 0.853 0.012 . . . . . A 298 VAL HG11 . 25326 1 990 . 1 1 104 104 VAL HG12 H 1 0.853 0.012 . . . . . A 298 VAL HG12 . 25326 1 991 . 1 1 104 104 VAL HG13 H 1 0.853 0.012 . . . . . A 298 VAL HG13 . 25326 1 992 . 1 1 104 104 VAL HG21 H 1 0.889 0.012 . . . . . A 298 VAL HG21 . 25326 1 993 . 1 1 104 104 VAL HG22 H 1 0.889 0.012 . . . . . A 298 VAL HG22 . 25326 1 994 . 1 1 104 104 VAL HG23 H 1 0.889 0.012 . . . . . A 298 VAL HG23 . 25326 1 995 . 1 1 104 104 VAL CA C 13 60.051 0.076 . . . . . A 298 VAL CA . 25326 1 996 . 1 1 104 104 VAL CB C 13 32.642 0.066 . . . . . A 298 VAL CB . 25326 1 997 . 1 1 104 104 VAL CG1 C 13 21.926 0.024 . . . . . A 298 VAL CG1 . 25326 1 998 . 1 1 104 104 VAL CG2 C 13 18.773 0.026 . . . . . A 298 VAL CG2 . 25326 1 999 . 1 1 104 104 VAL N N 15 113.758 0.083 . . . . . A 298 VAL N . 25326 1 1000 . 1 1 105 105 LEU H H 1 9.011 0.010 . . . . . A 299 LEU H . 25326 1 1001 . 1 1 105 105 LEU HA H 1 4.575 0.007 . . . . . A 299 LEU HA . 25326 1 1002 . 1 1 105 105 LEU HB2 H 1 1.107 0.009 . . . . . A 299 LEU HB2 . 25326 1 1003 . 1 1 105 105 LEU HB3 H 1 0.732 0.010 . . . . . A 299 LEU HB3 . 25326 1 1004 . 1 1 105 105 LEU HG H 1 1.402 0.005 . . . . . A 299 LEU HG . 25326 1 1005 . 1 1 105 105 LEU HD11 H 1 -0.328 0.012 . . . . . A 299 LEU HD11 . 25326 1 1006 . 1 1 105 105 LEU HD12 H 1 -0.328 0.012 . . . . . A 299 LEU HD12 . 25326 1 1007 . 1 1 105 105 LEU HD13 H 1 -0.328 0.012 . . . . . A 299 LEU HD13 . 25326 1 1008 . 1 1 105 105 LEU HD21 H 1 0.736 0.011 . . . . . A 299 LEU HD21 . 25326 1 1009 . 1 1 105 105 LEU HD22 H 1 0.736 0.011 . . . . . A 299 LEU HD22 . 25326 1 1010 . 1 1 105 105 LEU HD23 H 1 0.736 0.011 . . . . . A 299 LEU HD23 . 25326 1 1011 . 1 1 105 105 LEU CA C 13 51.300 0.024 . . . . . A 299 LEU CA . 25326 1 1012 . 1 1 105 105 LEU CB C 13 42.550 0.149 . . . . . A 299 LEU CB . 25326 1 1013 . 1 1 105 105 LEU CG C 13 26.416 0.096 . . . . . A 299 LEU CG . 25326 1 1014 . 1 1 105 105 LEU CD1 C 13 25.941 0.062 . . . . . A 299 LEU CD1 . 25326 1 1015 . 1 1 105 105 LEU CD2 C 13 22.895 0.004 . . . . . A 299 LEU CD2 . 25326 1 1016 . 1 1 105 105 LEU N N 15 120.460 0.074 . . . . . A 299 LEU N . 25326 1 1017 . 1 1 106 106 PRO HA H 1 4.243 0.012 . . . . . A 300 PRO HA . 25326 1 1018 . 1 1 106 106 PRO HB2 H 1 0.361 0.009 . . . . . A 300 PRO HB2 . 25326 1 1019 . 1 1 106 106 PRO HB3 H 1 1.870 0.004 . . . . . A 300 PRO HB3 . 25326 1 1020 . 1 1 106 106 PRO HG2 H 1 -0.235 0.007 . . . . . A 300 PRO HG2 . 25326 1 1021 . 1 1 106 106 PRO HG3 H 1 0.547 0.017 . . . . . A 300 PRO HG3 . 25326 1 1022 . 1 1 106 106 PRO HD2 H 1 2.005 0.010 . . . . . A 300 PRO HD2 . 25326 1 1023 . 1 1 106 106 PRO HD3 H 1 2.005 0.010 . . . . . A 300 PRO HD3 . 25326 1 1024 . 1 1 106 106 PRO CA C 13 61.087 0.050 . . . . . A 300 PRO CA . 25326 1 1025 . 1 1 106 106 PRO CB C 13 32.183 0.066 . . . . . A 300 PRO CB . 25326 1 1026 . 1 1 106 106 PRO CG C 13 27.138 0.113 . . . . . A 300 PRO CG . 25326 1 1027 . 1 1 106 106 PRO CD C 13 48.812 0.079 . . . . . A 300 PRO CD . 25326 1 1028 . 1 1 107 107 SER H H 1 8.960 0.007 . . . . . A 301 SER H . 25326 1 1029 . 1 1 107 107 SER HA H 1 3.901 0.012 . . . . . A 301 SER HA . 25326 1 1030 . 1 1 107 107 SER HB2 H 1 3.788 0.008 . . . . . A 301 SER HB2 . 25326 1 1031 . 1 1 107 107 SER HB3 H 1 3.788 0.008 . . . . . A 301 SER HB3 . 25326 1 1032 . 1 1 107 107 SER CA C 13 61.875 0.086 . . . . . A 301 SER CA . 25326 1 1033 . 1 1 107 107 SER CB C 13 61.980 0.200 . . . . . A 301 SER CB . 25326 1 1034 . 1 1 107 107 SER N N 15 118.750 0.029 . . . . . A 301 SER N . 25326 1 1035 . 1 1 108 108 TRP H H 1 6.998 0.005 . . . . . A 302 TRP H . 25326 1 1036 . 1 1 108 108 TRP HA H 1 4.368 0.011 . . . . . A 302 TRP HA . 25326 1 1037 . 1 1 108 108 TRP HB2 H 1 3.168 0.013 . . . . . A 302 TRP HB2 . 25326 1 1038 . 1 1 108 108 TRP HB3 H 1 3.380 0.013 . . . . . A 302 TRP HB3 . 25326 1 1039 . 1 1 108 108 TRP HD1 H 1 7.425 0.010 . . . . . A 302 TRP HD1 . 25326 1 1040 . 1 1 108 108 TRP HE1 H 1 10.418 0.009 . . . . . A 302 TRP HE1 . 25326 1 1041 . 1 1 108 108 TRP HE3 H 1 6.953 0.008 . . . . . A 302 TRP HE3 . 25326 1 1042 . 1 1 108 108 TRP HZ2 H 1 7.222 0.004 . . . . . A 302 TRP HZ2 . 25326 1 1043 . 1 1 108 108 TRP CA C 13 57.292 0.069 . . . . . A 302 TRP CA . 25326 1 1044 . 1 1 108 108 TRP CB C 13 27.471 0.089 . . . . . A 302 TRP CB . 25326 1 1045 . 1 1 108 108 TRP CD1 C 13 128.588 0.013 . . . . . A 302 TRP CD1 . 25326 1 1046 . 1 1 108 108 TRP CE3 C 13 120.644 0.018 . . . . . A 302 TRP CE3 . 25326 1 1047 . 1 1 108 108 TRP N N 15 116.066 0.045 . . . . . A 302 TRP N . 25326 1 1048 . 1 1 108 108 TRP NE1 N 15 131.803 0.029 . . . . . A 302 TRP NE1 . 25326 1 1049 . 1 1 109 109 MET H H 1 6.425 0.007 . . . . . A 303 MET H . 25326 1 1050 . 1 1 109 109 MET HA H 1 3.678 0.011 . . . . . A 303 MET HA . 25326 1 1051 . 1 1 109 109 MET HB2 H 1 0.924 0.013 . . . . . A 303 MET HB2 . 25326 1 1052 . 1 1 109 109 MET HB3 H 1 0.331 0.007 . . . . . A 303 MET HB3 . 25326 1 1053 . 1 1 109 109 MET HG2 H 1 1.678 0.010 . . . . . A 303 MET HG2 . 25326 1 1054 . 1 1 109 109 MET HG3 H 1 2.212 0.011 . . . . . A 303 MET HG3 . 25326 1 1055 . 1 1 109 109 MET HE1 H 1 1.640 0.020 . . . . . A 303 MET HE1 . 25326 1 1056 . 1 1 109 109 MET HE2 H 1 1.640 0.020 . . . . . A 303 MET HE2 . 25326 1 1057 . 1 1 109 109 MET HE3 H 1 1.640 0.020 . . . . . A 303 MET HE3 . 25326 1 1058 . 1 1 109 109 MET CA C 13 58.405 0.085 . . . . . A 303 MET CA . 25326 1 1059 . 1 1 109 109 MET CB C 13 33.038 0.082 . . . . . A 303 MET CB . 25326 1 1060 . 1 1 109 109 MET CG C 13 30.448 0.051 . . . . . A 303 MET CG . 25326 1 1061 . 1 1 109 109 MET CE C 13 16.228 0.200 . . . . . A 303 MET CE . 25326 1 1062 . 1 1 109 109 MET N N 15 124.169 0.045 . . . . . A 303 MET N . 25326 1 1063 . 1 1 110 110 VAL H H 1 7.239 0.006 . . . . . A 304 VAL H . 25326 1 1064 . 1 1 110 110 VAL HA H 1 3.067 0.012 . . . . . A 304 VAL HA . 25326 1 1065 . 1 1 110 110 VAL HB H 1 1.813 0.012 . . . . . A 304 VAL HB . 25326 1 1066 . 1 1 110 110 VAL HG11 H 1 0.621 0.012 . . . . . A 304 VAL HG11 . 25326 1 1067 . 1 1 110 110 VAL HG12 H 1 0.621 0.012 . . . . . A 304 VAL HG12 . 25326 1 1068 . 1 1 110 110 VAL HG13 H 1 0.621 0.012 . . . . . A 304 VAL HG13 . 25326 1 1069 . 1 1 110 110 VAL HG21 H 1 0.585 0.011 . . . . . A 304 VAL HG21 . 25326 1 1070 . 1 1 110 110 VAL HG22 H 1 0.585 0.011 . . . . . A 304 VAL HG22 . 25326 1 1071 . 1 1 110 110 VAL HG23 H 1 0.585 0.011 . . . . . A 304 VAL HG23 . 25326 1 1072 . 1 1 110 110 VAL CA C 13 66.866 0.041 . . . . . A 304 VAL CA . 25326 1 1073 . 1 1 110 110 VAL CB C 13 31.255 0.063 . . . . . A 304 VAL CB . 25326 1 1074 . 1 1 110 110 VAL CG1 C 13 23.579 0.021 . . . . . A 304 VAL CG1 . 25326 1 1075 . 1 1 110 110 VAL CG2 C 13 21.869 0.070 . . . . . A 304 VAL CG2 . 25326 1 1076 . 1 1 110 110 VAL N N 15 119.950 0.034 . . . . . A 304 VAL N . 25326 1 1077 . 1 1 111 111 GLU H H 1 7.904 0.009 . . . . . A 305 GLU H . 25326 1 1078 . 1 1 111 111 GLU HA H 1 3.958 0.009 . . . . . A 305 GLU HA . 25326 1 1079 . 1 1 111 111 GLU HB2 H 1 1.974 0.016 . . . . . A 305 GLU HB2 . 25326 1 1080 . 1 1 111 111 GLU HB3 H 1 1.974 0.016 . . . . . A 305 GLU HB3 . 25326 1 1081 . 1 1 111 111 GLU HG2 H 1 2.270 0.012 . . . . . A 305 GLU HG2 . 25326 1 1082 . 1 1 111 111 GLU HG3 H 1 2.270 0.012 . . . . . A 305 GLU HG3 . 25326 1 1083 . 1 1 111 111 GLU CA C 13 59.412 0.054 . . . . . A 305 GLU CA . 25326 1 1084 . 1 1 111 111 GLU CB C 13 29.131 0.073 . . . . . A 305 GLU CB . 25326 1 1085 . 1 1 111 111 GLU CG C 13 35.692 0.040 . . . . . A 305 GLU CG . 25326 1 1086 . 1 1 111 111 GLU N N 15 117.250 0.035 . . . . . A 305 GLU N . 25326 1 1087 . 1 1 112 112 LYS H H 1 6.897 0.008 . . . . . A 306 LYS H . 25326 1 1088 . 1 1 112 112 LYS HA H 1 3.999 0.010 . . . . . A 306 LYS HA . 25326 1 1089 . 1 1 112 112 LYS HB2 H 1 1.986 0.008 . . . . . A 306 LYS HB2 . 25326 1 1090 . 1 1 112 112 LYS HB3 H 1 1.986 0.008 . . . . . A 306 LYS HB3 . 25326 1 1091 . 1 1 112 112 LYS HG2 H 1 2.075 0.007 . . . . . A 306 LYS HG2 . 25326 1 1092 . 1 1 112 112 LYS HG3 H 1 1.563 0.009 . . . . . A 306 LYS HG3 . 25326 1 1093 . 1 1 112 112 LYS HD2 H 1 2.092 0.008 . . . . . A 306 LYS HD2 . 25326 1 1094 . 1 1 112 112 LYS HD3 H 1 1.910 0.012 . . . . . A 306 LYS HD3 . 25326 1 1095 . 1 1 112 112 LYS HE2 H 1 3.103 0.011 . . . . . A 306 LYS HE2 . 25326 1 1096 . 1 1 112 112 LYS HE3 H 1 3.103 0.011 . . . . . A 306 LYS HE3 . 25326 1 1097 . 1 1 112 112 LYS CA C 13 60.017 0.085 . . . . . A 306 LYS CA . 25326 1 1098 . 1 1 112 112 LYS CB C 13 32.942 0.078 . . . . . A 306 LYS CB . 25326 1 1099 . 1 1 112 112 LYS CG C 13 25.536 0.045 . . . . . A 306 LYS CG . 25326 1 1100 . 1 1 112 112 LYS CD C 13 31.027 0.071 . . . . . A 306 LYS CD . 25326 1 1101 . 1 1 112 112 LYS CE C 13 41.230 0.054 . . . . . A 306 LYS CE . 25326 1 1102 . 1 1 112 112 LYS N N 15 118.513 0.030 . . . . . A 306 LYS N . 25326 1 1103 . 1 1 113 113 MET H H 1 7.806 0.006 . . . . . A 307 MET H . 25326 1 1104 . 1 1 113 113 MET HA H 1 3.730 0.011 . . . . . A 307 MET HA . 25326 1 1105 . 1 1 113 113 MET HB2 H 1 1.698 0.007 . . . . . A 307 MET HB2 . 25326 1 1106 . 1 1 113 113 MET HB3 H 1 1.698 0.007 . . . . . A 307 MET HB3 . 25326 1 1107 . 1 1 113 113 MET HG2 H 1 1.935 0.011 . . . . . A 307 MET HG2 . 25326 1 1108 . 1 1 113 113 MET HG3 H 1 1.269 0.009 . . . . . A 307 MET HG3 . 25326 1 1109 . 1 1 113 113 MET CA C 13 59.534 0.083 . . . . . A 307 MET CA . 25326 1 1110 . 1 1 113 113 MET CB C 13 33.298 0.033 . . . . . A 307 MET CB . 25326 1 1111 . 1 1 113 113 MET CG C 13 30.634 0.064 . . . . . A 307 MET CG . 25326 1 1112 . 1 1 113 113 MET N N 15 120.928 0.057 . . . . . A 307 MET N . 25326 1 1113 . 1 1 114 114 ARG H H 1 8.591 0.006 . . . . . A 308 ARG H . 25326 1 1114 . 1 1 114 114 ARG HA H 1 3.756 0.015 . . . . . A 308 ARG HA . 25326 1 1115 . 1 1 114 114 ARG CA C 13 60.608 0.045 . . . . . A 308 ARG CA . 25326 1 1116 . 1 1 114 114 ARG CB C 13 30.457 0.084 . . . . . A 308 ARG CB . 25326 1 1117 . 1 1 114 114 ARG N N 15 120.596 0.048 . . . . . A 308 ARG N . 25326 1 1118 . 1 1 115 115 LYS H H 1 7.772 0.007 . . . . . A 309 LYS H . 25326 1 1119 . 1 1 115 115 LYS HA H 1 4.066 0.009 . . . . . A 309 LYS HA . 25326 1 1120 . 1 1 115 115 LYS HB2 H 1 1.930 0.011 . . . . . A 309 LYS HB2 . 25326 1 1121 . 1 1 115 115 LYS HB3 H 1 1.930 0.011 . . . . . A 309 LYS HB3 . 25326 1 1122 . 1 1 115 115 LYS HG2 H 1 1.618 0.009 . . . . . A 309 LYS HG2 . 25326 1 1123 . 1 1 115 115 LYS HG3 H 1 1.506 0.010 . . . . . A 309 LYS HG3 . 25326 1 1124 . 1 1 115 115 LYS HD2 H 1 1.684 0.014 . . . . . A 309 LYS HD2 . 25326 1 1125 . 1 1 115 115 LYS HD3 H 1 1.684 0.014 . . . . . A 309 LYS HD3 . 25326 1 1126 . 1 1 115 115 LYS HE2 H 1 2.953 0.012 . . . . . A 309 LYS HE2 . 25326 1 1127 . 1 1 115 115 LYS HE3 H 1 2.953 0.012 . . . . . A 309 LYS HE3 . 25326 1 1128 . 1 1 115 115 LYS CA C 13 58.934 0.099 . . . . . A 309 LYS CA . 25326 1 1129 . 1 1 115 115 LYS CB C 13 31.896 0.057 . . . . . A 309 LYS CB . 25326 1 1130 . 1 1 115 115 LYS CG C 13 25.120 0.071 . . . . . A 309 LYS CG . 25326 1 1131 . 1 1 115 115 LYS CD C 13 28.745 0.042 . . . . . A 309 LYS CD . 25326 1 1132 . 1 1 115 115 LYS CE C 13 41.868 0.033 . . . . . A 309 LYS CE . 25326 1 1133 . 1 1 115 115 LYS N N 15 118.143 0.063 . . . . . A 309 LYS N . 25326 1 1134 . 1 1 116 116 TYR H H 1 8.025 0.006 . . . . . A 310 TYR H . 25326 1 1135 . 1 1 116 116 TYR HA H 1 4.557 0.009 . . . . . A 310 TYR HA . 25326 1 1136 . 1 1 116 116 TYR HB2 H 1 3.571 0.013 . . . . . A 310 TYR HB2 . 25326 1 1137 . 1 1 116 116 TYR HB3 H 1 3.425 0.011 . . . . . A 310 TYR HB3 . 25326 1 1138 . 1 1 116 116 TYR HD1 H 1 7.374 0.012 . . . . . A 310 TYR HD1 . 25326 1 1139 . 1 1 116 116 TYR HD2 H 1 7.374 0.012 . . . . . A 310 TYR HD2 . 25326 1 1140 . 1 1 116 116 TYR HE1 H 1 6.971 0.003 . . . . . A 310 TYR HE1 . 25326 1 1141 . 1 1 116 116 TYR HE2 H 1 6.971 0.003 . . . . . A 310 TYR HE2 . 25326 1 1142 . 1 1 116 116 TYR CA C 13 60.832 0.094 . . . . . A 310 TYR CA . 25326 1 1143 . 1 1 116 116 TYR CB C 13 38.254 0.045 . . . . . A 310 TYR CB . 25326 1 1144 . 1 1 116 116 TYR CD1 C 13 133.547 0.031 . . . . . A 310 TYR CD1 . 25326 1 1145 . 1 1 116 116 TYR CD2 C 13 133.547 0.031 . . . . . A 310 TYR CD2 . 25326 1 1146 . 1 1 116 116 TYR CE1 C 13 119.243 0.121 . . . . . A 310 TYR CE1 . 25326 1 1147 . 1 1 116 116 TYR CE2 C 13 119.243 0.121 . . . . . A 310 TYR CE2 . 25326 1 1148 . 1 1 116 116 TYR N N 15 120.432 0.046 . . . . . A 310 TYR N . 25326 1 1149 . 1 1 117 117 MET H H 1 8.794 0.005 . . . . . A 311 MET H . 25326 1 1150 . 1 1 117 117 MET HA H 1 3.817 0.011 . . . . . A 311 MET HA . 25326 1 1151 . 1 1 117 117 MET HB2 H 1 2.099 0.005 . . . . . A 311 MET HB2 . 25326 1 1152 . 1 1 117 117 MET HB3 H 1 2.027 0.014 . . . . . A 311 MET HB3 . 25326 1 1153 . 1 1 117 117 MET HG2 H 1 2.437 0.009 . . . . . A 311 MET HG2 . 25326 1 1154 . 1 1 117 117 MET HG3 H 1 2.252 0.009 . . . . . A 311 MET HG3 . 25326 1 1155 . 1 1 117 117 MET HE1 H 1 0.946 0.005 . . . . . A 311 MET HE1 . 25326 1 1156 . 1 1 117 117 MET HE2 H 1 0.946 0.005 . . . . . A 311 MET HE2 . 25326 1 1157 . 1 1 117 117 MET HE3 H 1 0.946 0.005 . . . . . A 311 MET HE3 . 25326 1 1158 . 1 1 117 117 MET CA C 13 59.949 0.056 . . . . . A 311 MET CA . 25326 1 1159 . 1 1 117 117 MET CB C 13 33.933 0.093 . . . . . A 311 MET CB . 25326 1 1160 . 1 1 117 117 MET CG C 13 32.798 0.074 . . . . . A 311 MET CG . 25326 1 1161 . 1 1 117 117 MET CE C 13 16.310 0.200 . . . . . A 311 MET CE . 25326 1 1162 . 1 1 117 117 MET N N 15 120.475 0.027 . . . . . A 311 MET N . 25326 1 1163 . 1 1 118 118 GLU H H 1 8.125 0.007 . . . . . A 312 GLU H . 25326 1 1164 . 1 1 118 118 GLU HA H 1 3.991 0.007 . . . . . A 312 GLU HA . 25326 1 1165 . 1 1 118 118 GLU HB2 H 1 2.226 0.011 . . . . . A 312 GLU HB2 . 25326 1 1166 . 1 1 118 118 GLU HB3 H 1 2.106 0.008 . . . . . A 312 GLU HB3 . 25326 1 1167 . 1 1 118 118 GLU HG2 H 1 2.414 0.007 . . . . . A 312 GLU HG2 . 25326 1 1168 . 1 1 118 118 GLU HG3 H 1 2.245 0.006 . . . . . A 312 GLU HG3 . 25326 1 1169 . 1 1 118 118 GLU CA C 13 59.320 0.086 . . . . . A 312 GLU CA . 25326 1 1170 . 1 1 118 118 GLU CB C 13 29.773 0.042 . . . . . A 312 GLU CB . 25326 1 1171 . 1 1 118 118 GLU CG C 13 36.329 0.082 . . . . . A 312 GLU CG . 25326 1 1172 . 1 1 118 118 GLU N N 15 117.324 0.029 . . . . . A 312 GLU N . 25326 1 1173 . 1 1 119 119 THR H H 1 7.761 0.007 . . . . . A 313 THR H . 25326 1 1174 . 1 1 119 119 THR HA H 1 4.204 0.012 . . . . . A 313 THR HA . 25326 1 1175 . 1 1 119 119 THR HB H 1 4.340 0.010 . . . . . A 313 THR HB . 25326 1 1176 . 1 1 119 119 THR HG21 H 1 1.395 0.011 . . . . . A 313 THR HG21 . 25326 1 1177 . 1 1 119 119 THR HG22 H 1 1.395 0.011 . . . . . A 313 THR HG22 . 25326 1 1178 . 1 1 119 119 THR HG23 H 1 1.395 0.011 . . . . . A 313 THR HG23 . 25326 1 1179 . 1 1 119 119 THR CA C 13 64.128 0.156 . . . . . A 313 THR CA . 25326 1 1180 . 1 1 119 119 THR CB C 13 69.653 0.045 . . . . . A 313 THR CB . 25326 1 1181 . 1 1 119 119 THR CG2 C 13 21.505 0.067 . . . . . A 313 THR CG2 . 25326 1 1182 . 1 1 119 119 THR N N 15 110.565 0.046 . . . . . A 313 THR N . 25326 1 1183 . 1 1 120 120 LEU H H 1 7.413 0.007 . . . . . A 314 LEU H . 25326 1 1184 . 1 1 120 120 LEU HA H 1 4.207 0.010 . . . . . A 314 LEU HA . 25326 1 1185 . 1 1 120 120 LEU HB2 H 1 1.448 0.012 . . . . . A 314 LEU HB2 . 25326 1 1186 . 1 1 120 120 LEU HB3 H 1 1.791 0.006 . . . . . A 314 LEU HB3 . 25326 1 1187 . 1 1 120 120 LEU HG H 1 1.470 0.010 . . . . . A 314 LEU HG . 25326 1 1188 . 1 1 120 120 LEU HD11 H 1 0.830 0.009 . . . . . A 314 LEU HD11 . 25326 1 1189 . 1 1 120 120 LEU HD12 H 1 0.830 0.009 . . . . . A 314 LEU HD12 . 25326 1 1190 . 1 1 120 120 LEU HD13 H 1 0.830 0.009 . . . . . A 314 LEU HD13 . 25326 1 1191 . 1 1 120 120 LEU HD21 H 1 0.711 0.010 . . . . . A 314 LEU HD21 . 25326 1 1192 . 1 1 120 120 LEU HD22 H 1 0.711 0.010 . . . . . A 314 LEU HD22 . 25326 1 1193 . 1 1 120 120 LEU HD23 H 1 0.711 0.010 . . . . . A 314 LEU HD23 . 25326 1 1194 . 1 1 120 120 LEU CA C 13 55.376 0.054 . . . . . A 314 LEU CA . 25326 1 1195 . 1 1 120 120 LEU CB C 13 42.182 0.075 . . . . . A 314 LEU CB . 25326 1 1196 . 1 1 120 120 LEU CG C 13 26.467 0.103 . . . . . A 314 LEU CG . 25326 1 1197 . 1 1 120 120 LEU CD1 C 13 25.581 0.071 . . . . . A 314 LEU CD1 . 25326 1 1198 . 1 1 120 120 LEU CD2 C 13 22.394 0.039 . . . . . A 314 LEU CD2 . 25326 1 1199 . 1 1 120 120 LEU N N 15 121.313 0.093 . . . . . A 314 LEU N . 25326 1 1200 . 1 1 121 121 ARG H H 1 7.588 0.008 . . . . . A 315 ARG H . 25326 1 1201 . 1 1 121 121 ARG HA H 1 4.302 0.011 . . . . . A 315 ARG HA . 25326 1 1202 . 1 1 121 121 ARG HB2 H 1 1.860 0.013 . . . . . A 315 ARG HB2 . 25326 1 1203 . 1 1 121 121 ARG HB3 H 1 1.952 0.012 . . . . . A 315 ARG HB3 . 25326 1 1204 . 1 1 121 121 ARG HG2 H 1 1.715 0.010 . . . . . A 315 ARG HG2 . 25326 1 1205 . 1 1 121 121 ARG HG3 H 1 1.715 0.010 . . . . . A 315 ARG HG3 . 25326 1 1206 . 1 1 121 121 ARG HD2 H 1 3.220 0.011 . . . . . A 315 ARG HD2 . 25326 1 1207 . 1 1 121 121 ARG HD3 H 1 3.220 0.011 . . . . . A 315 ARG HD3 . 25326 1 1208 . 1 1 121 121 ARG HE H 1 7.799 0.010 . . . . . A 315 ARG HE . 25326 1 1209 . 1 1 121 121 ARG CA C 13 56.298 0.092 . . . . . A 315 ARG CA . 25326 1 1210 . 1 1 121 121 ARG CB C 13 31.009 0.074 . . . . . A 315 ARG CB . 25326 1 1211 . 1 1 121 121 ARG CG C 13 26.873 0.021 . . . . . A 315 ARG CG . 25326 1 1212 . 1 1 121 121 ARG CD C 13 43.669 0.018 . . . . . A 315 ARG CD . 25326 1 1213 . 1 1 121 121 ARG N N 15 119.692 0.040 . . . . . A 315 ARG N . 25326 1 1214 . 1 1 121 121 ARG NE N 15 89.404 0.011 . . . . . A 315 ARG NE . 25326 1 1215 . 1 1 122 122 THR H H 1 7.617 0.005 . . . . . A 316 THR H . 25326 1 1216 . 1 1 122 122 THR HA H 1 4.078 0.011 . . . . . A 316 THR HA . 25326 1 1217 . 1 1 122 122 THR HB H 1 4.167 0.009 . . . . . A 316 THR HB . 25326 1 1218 . 1 1 122 122 THR HG21 H 1 1.114 0.010 . . . . . A 316 THR HG21 . 25326 1 1219 . 1 1 122 122 THR HG22 H 1 1.114 0.010 . . . . . A 316 THR HG22 . 25326 1 1220 . 1 1 122 122 THR HG23 H 1 1.114 0.010 . . . . . A 316 THR HG23 . 25326 1 1221 . 1 1 122 122 THR CA C 13 63.389 0.052 . . . . . A 316 THR CA . 25326 1 1222 . 1 1 122 122 THR CB C 13 70.635 0.052 . . . . . A 316 THR CB . 25326 1 1223 . 1 1 122 122 THR CG2 C 13 21.899 0.059 . . . . . A 316 THR CG2 . 25326 1 1224 . 1 1 122 122 THR N N 15 120.179 0.055 . . . . . A 316 THR N . 25326 1 stop_ save_