data_18566 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18566 _Entry.Title ; Telokin-like domain (TL-domain) from P22 coat protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-03 _Entry.Accession_date 2012-07-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Alessandro Rizzo . A. . 18566 2 LaTasha Fraser . C.R. . 18566 3 Sarah Sheftic . R. . 18566 4 Margaret Suhanovsky . M. . 18566 5 Carolyn Teschke . M. . 18566 6 Andrei Alexandrescu . T. . 18566 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Connecticut' . 18566 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18566 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 511 18566 '15N chemical shifts' 119 18566 '1H chemical shifts' 804 18566 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 3 . . 2014-02-19 2012-07-03 update BMRB 'update entry citation' 18566 2 . . 2013-03-28 2012-07-03 update author 'update chemical shifts' 18566 1 . . 2012-11-02 2012-07-03 original author 'original release' 18566 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M5S 'BMRB Entry Tracking System' 18566 PDB 2XYY 'a cryo-EM model of the full-length coat protein in a procapsid' 18566 PDB 2XYZ 'a cryo-EM model of the full-length coat protein in a mature virion' 18566 PDB 3IYH 'a cryo-EM model of the full-length coat protein in a procapsid' 18566 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18566 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22987227 _Citation.Full_citation . _Citation.Title 'NMR assignments for the telokin-like domain of bacteriophage P22 coat protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 257 _Citation.Page_last 260 _Citation.Year 2013 _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 Alessandro Rizzo . A. . 18566 1 2 LaTasha Fraser . C.R. . 18566 1 3 Sarah Sheftic . R. . 18566 1 4 Margaret Suhanovsky . M. . 18566 1 5 Carolyn Teschke . M. . 18566 1 6 Andrei Alexandrescu . T. . 18566 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID capsid 18566 1 D-loop 18566 1 'extra-density domain' 18566 1 procapsid 18566 1 'virus assembly' 18566 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18566 _Assembly.ID 1 _Assembly.Name TL-domain _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 TL-domain 1 $TL-domain A . yes native no no . . . 18566 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TL-domain _Entity.Sf_category entity _Entity.Sf_framecode TL-domain _Entity.Entry_ID 18566 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TL-domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSTATGITVSGAQSFKPVAW QLDNDGNKVNVDNRFATVTL SATTGMKRGDKISFAGVKFL GQMAKNVLAQDATFSVVRVV DGTHVEITPKPVALDDVSLS PEQRAYANVNTSLADAMAVN ILNV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'G222-V345 corresponding to the full-length coat protein sequence in bacteriophage P22' _Entity.Polymer_author_seq_details 'G222 is non-native glycine that was included as part of the thrombin cleavage site. but for the sake of the numbering scheme is included here as 222' _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M5S . "High-resolution Nmr Structure And Cryo-em Imaging Support Multiple Functional Roles For The Accessory I-domain Of Phage P22 Coa" . . . . . 100.00 130 100.00 100.00 2.04e-82 . . . . 18566 1 2 no PDB 2XYY . "De Novo Model Of Bacteriophage P22 Procapsid Coat Protein" . . . . . 99.19 430 100.00 100.00 3.74e-77 . . . . 18566 1 3 no PDB 2XYZ . "De Novo Model Of Bacteriophage P22 Virion Coat Protein" . . . . . 99.19 430 100.00 100.00 3.74e-77 . . . . 18566 1 4 no PDB 3IYH . "P22 Procapsid Coat Protein Structures Reveal A Novel Mechanism For Capsid Maturation: Stability Without Auxiliary Proteins Or C" . . . . . 99.19 430 100.00 100.00 3.74e-77 . . . . 18566 1 5 no PDB 3IYI . "P22 Expanded Head Coat Protein Structures Reveal A Novel Mechanism For Capsid Maturation: Stability Without Auxiliary Proteins " . . . . . 99.19 430 100.00 100.00 3.74e-77 . . . . 18566 1 6 no DBJ BAD15215 . "Gp5 [Enterobacteria phage ST104]" . . . . . 99.19 430 98.37 99.19 6.83e-76 . . . . 18566 1 7 no DBJ BAF80720 . "coat protein [Enterobacteria phage P22]" . . . . . 99.19 430 100.00 100.00 3.74e-77 . . . . 18566 1 8 no DBJ BAG12603 . "coat protein [Enterobacteria phage P22]" . . . . . 99.19 430 100.00 100.00 3.74e-77 . . . . 18566 1 9 no DBJ BAJ35317 . "putative coat protein [Salmonella enterica subsp. enterica serovar Typhimurium str. T000240]" . . . . . 99.19 430 98.37 99.19 6.83e-76 . . . . 18566 1 10 no DBJ BAP06070 . "coat protein [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" . . . . . 99.19 430 98.37 99.19 1.02e-75 . . . . 18566 1 11 no EMBL CAR60452 . "putative coat protein [Salmonella enterica subsp. enterica serovar Paratyphi A str. AKU_12601]" . . . . . 99.19 430 99.19 100.00 1.40e-76 . . . . 18566 1 12 no EMBL CBG23391 . "coat protein [Salmonella enterica subsp. enterica serovar Typhimurium str. D23580]" . . . . . 99.19 430 98.37 99.19 7.93e-76 . . . . 18566 1 13 no EMBL CBY96612 . "Coat protein Protein gp5 [Salmonella enterica subsp. enterica serovar Weltevreden str. 2007-60-3289-1]" . . . . . 99.19 430 100.00 100.00 3.55e-77 . . . . 18566 1 14 no EMBL CCR48948 . "protein Coat [Salmonella enterica subsp. enterica serovar Agona str. 62.H.72]" . . . . . 99.19 430 98.37 99.19 1.10e-75 . . . . 18566 1 15 no EMBL CCT21055 . "protein Coat [Salmonella enterica subsp. enterica serovar Agona str. 18.H.07]" . . . . . 99.19 430 98.37 99.19 6.83e-76 . . . . 18566 1 16 no GB AAA72963 . "coat protein [Enterobacteria phage P22]" . . . . . 99.19 430 100.00 100.00 3.74e-77 . . . . 18566 1 17 no GB AAF75047 . "coat protein [Enterobacteria phage P22]" . . . . . 99.19 430 100.00 100.00 3.74e-77 . . . . 18566 1 18 no GB AAL15527 . "5 [Salmonella phage ST64T]" . . . . . 99.19 430 98.37 99.19 6.83e-76 . . . . 18566 1 19 no GB AAM81389 . "coat protein [Salmonella phage P22-pbi]" . . . . . 99.19 430 100.00 100.00 3.74e-77 . . . . 18566 1 20 no GB AAX21429 . "coat protein [Enterobacteria phage L]" . . . . . 99.19 430 98.37 99.19 6.83e-76 . . . . 18566 1 21 no REF NP_059630 . "coat protein [Enterobacteria phage P22]" . . . . . 99.19 430 100.00 100.00 3.74e-77 . . . . 18566 1 22 no REF NP_720329 . "coat protein [Enterobacteria phage ST64T]" . . . . . 99.19 430 98.37 99.19 6.83e-76 . . . . 18566 1 23 no REF WP_001196931 . "coat protein [Salmonella enterica]" . . . . . 99.19 430 98.37 99.19 8.28e-76 . . . . 18566 1 24 no REF WP_001196932 . "coat protein [Salmonella enterica]" . . . . . 99.19 430 98.37 99.19 7.93e-76 . . . . 18566 1 25 no REF WP_001196933 . "coat protein [Salmonella enterica]" . . . . . 99.19 430 98.37 99.19 8.19e-76 . . . . 18566 1 26 no SP P26747 . "RecName: Full=Major capsid protein; AltName: Full=Gene product 5; Short=gp5; AltName: Full=Major head protein" . . . . . 99.19 430 100.00 100.00 3.74e-77 . . . . 18566 1 27 no TPG DAA00987 . "TPA_inf: coat protein [Enterobacteria phage P22]" . . . . . 99.19 430 100.00 100.00 3.74e-77 . . . . 18566 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'not fully characterized' 18566 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 1 222 GLY . 18566 1 2 223 SER . 18566 1 3 224 THR . 18566 1 4 225 ALA . 18566 1 5 226 THR . 18566 1 6 227 GLY . 18566 1 7 228 ILE . 18566 1 8 229 THR . 18566 1 9 230 VAL . 18566 1 10 231 SER . 18566 1 11 232 GLY . 18566 1 12 233 ALA . 18566 1 13 234 GLN . 18566 1 14 235 SER . 18566 1 15 236 PHE . 18566 1 16 237 LYS . 18566 1 17 238 PRO . 18566 1 18 239 VAL . 18566 1 19 240 ALA . 18566 1 20 241 TRP . 18566 1 21 242 GLN . 18566 1 22 243 LEU . 18566 1 23 244 ASP . 18566 1 24 245 ASN . 18566 1 25 246 ASP . 18566 1 26 247 GLY . 18566 1 27 248 ASN . 18566 1 28 249 LYS . 18566 1 29 250 VAL . 18566 1 30 251 ASN . 18566 1 31 252 VAL . 18566 1 32 253 ASP . 18566 1 33 254 ASN . 18566 1 34 255 ARG . 18566 1 35 256 PHE . 18566 1 36 257 ALA . 18566 1 37 258 THR . 18566 1 38 259 VAL . 18566 1 39 260 THR . 18566 1 40 261 LEU . 18566 1 41 262 SER . 18566 1 42 263 ALA . 18566 1 43 264 THR . 18566 1 44 265 THR . 18566 1 45 266 GLY . 18566 1 46 267 MET . 18566 1 47 268 LYS . 18566 1 48 269 ARG . 18566 1 49 270 GLY . 18566 1 50 271 ASP . 18566 1 51 272 LYS . 18566 1 52 273 ILE . 18566 1 53 274 SER . 18566 1 54 275 PHE . 18566 1 55 276 ALA . 18566 1 56 277 GLY . 18566 1 57 278 VAL . 18566 1 58 279 LYS . 18566 1 59 280 PHE . 18566 1 60 281 LEU . 18566 1 61 282 GLY . 18566 1 62 283 GLN . 18566 1 63 284 MET . 18566 1 64 285 ALA . 18566 1 65 286 LYS . 18566 1 66 287 ASN . 18566 1 67 288 VAL . 18566 1 68 289 LEU . 18566 1 69 290 ALA . 18566 1 70 291 GLN . 18566 1 71 292 ASP . 18566 1 72 293 ALA . 18566 1 73 294 THR . 18566 1 74 295 PHE . 18566 1 75 296 SER . 18566 1 76 297 VAL . 18566 1 77 298 VAL . 18566 1 78 299 ARG . 18566 1 79 300 VAL . 18566 1 80 301 VAL . 18566 1 81 302 ASP . 18566 1 82 303 GLY . 18566 1 83 304 THR . 18566 1 84 305 HIS . 18566 1 85 306 VAL . 18566 1 86 307 GLU . 18566 1 87 308 ILE . 18566 1 88 309 THR . 18566 1 89 310 PRO . 18566 1 90 311 LYS . 18566 1 91 312 PRO . 18566 1 92 313 VAL . 18566 1 93 314 ALA . 18566 1 94 315 LEU . 18566 1 95 316 ASP . 18566 1 96 317 ASP . 18566 1 97 318 VAL . 18566 1 98 319 SER . 18566 1 99 320 LEU . 18566 1 100 321 SER . 18566 1 101 322 PRO . 18566 1 102 323 GLU . 18566 1 103 324 GLN . 18566 1 104 325 ARG . 18566 1 105 326 ALA . 18566 1 106 327 TYR . 18566 1 107 328 ALA . 18566 1 108 329 ASN . 18566 1 109 330 VAL . 18566 1 110 331 ASN . 18566 1 111 332 THR . 18566 1 112 333 SER . 18566 1 113 334 LEU . 18566 1 114 335 ALA . 18566 1 115 336 ASP . 18566 1 116 337 ALA . 18566 1 117 338 MET . 18566 1 118 339 ALA . 18566 1 119 340 VAL . 18566 1 120 341 ASN . 18566 1 121 342 ILE . 18566 1 122 343 LEU . 18566 1 123 344 ASN . 18566 1 124 345 VAL . 18566 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 18566 1 . SER 2 2 18566 1 . THR 3 3 18566 1 . ALA 4 4 18566 1 . THR 5 5 18566 1 . GLY 6 6 18566 1 . ILE 7 7 18566 1 . THR 8 8 18566 1 . VAL 9 9 18566 1 . SER 10 10 18566 1 . GLY 11 11 18566 1 . ALA 12 12 18566 1 . GLN 13 13 18566 1 . SER 14 14 18566 1 . PHE 15 15 18566 1 . LYS 16 16 18566 1 . PRO 17 17 18566 1 . VAL 18 18 18566 1 . ALA 19 19 18566 1 . TRP 20 20 18566 1 . GLN 21 21 18566 1 . LEU 22 22 18566 1 . ASP 23 23 18566 1 . ASN 24 24 18566 1 . ASP 25 25 18566 1 . GLY 26 26 18566 1 . ASN 27 27 18566 1 . LYS 28 28 18566 1 . VAL 29 29 18566 1 . ASN 30 30 18566 1 . VAL 31 31 18566 1 . ASP 32 32 18566 1 . ASN 33 33 18566 1 . ARG 34 34 18566 1 . PHE 35 35 18566 1 . ALA 36 36 18566 1 . THR 37 37 18566 1 . VAL 38 38 18566 1 . THR 39 39 18566 1 . LEU 40 40 18566 1 . SER 41 41 18566 1 . ALA 42 42 18566 1 . THR 43 43 18566 1 . THR 44 44 18566 1 . GLY 45 45 18566 1 . MET 46 46 18566 1 . LYS 47 47 18566 1 . ARG 48 48 18566 1 . GLY 49 49 18566 1 . ASP 50 50 18566 1 . LYS 51 51 18566 1 . ILE 52 52 18566 1 . SER 53 53 18566 1 . PHE 54 54 18566 1 . ALA 55 55 18566 1 . GLY 56 56 18566 1 . VAL 57 57 18566 1 . LYS 58 58 18566 1 . PHE 59 59 18566 1 . LEU 60 60 18566 1 . GLY 61 61 18566 1 . GLN 62 62 18566 1 . MET 63 63 18566 1 . ALA 64 64 18566 1 . LYS 65 65 18566 1 . ASN 66 66 18566 1 . VAL 67 67 18566 1 . LEU 68 68 18566 1 . ALA 69 69 18566 1 . GLN 70 70 18566 1 . ASP 71 71 18566 1 . ALA 72 72 18566 1 . THR 73 73 18566 1 . PHE 74 74 18566 1 . SER 75 75 18566 1 . VAL 76 76 18566 1 . VAL 77 77 18566 1 . ARG 78 78 18566 1 . VAL 79 79 18566 1 . VAL 80 80 18566 1 . ASP 81 81 18566 1 . GLY 82 82 18566 1 . THR 83 83 18566 1 . HIS 84 84 18566 1 . VAL 85 85 18566 1 . GLU 86 86 18566 1 . ILE 87 87 18566 1 . THR 88 88 18566 1 . PRO 89 89 18566 1 . LYS 90 90 18566 1 . PRO 91 91 18566 1 . VAL 92 92 18566 1 . ALA 93 93 18566 1 . LEU 94 94 18566 1 . ASP 95 95 18566 1 . ASP 96 96 18566 1 . VAL 97 97 18566 1 . SER 98 98 18566 1 . LEU 99 99 18566 1 . SER 100 100 18566 1 . PRO 101 101 18566 1 . GLU 102 102 18566 1 . GLN 103 103 18566 1 . ARG 104 104 18566 1 . ALA 105 105 18566 1 . TYR 106 106 18566 1 . ALA 107 107 18566 1 . ASN 108 108 18566 1 . VAL 109 109 18566 1 . ASN 110 110 18566 1 . THR 111 111 18566 1 . SER 112 112 18566 1 . LEU 113 113 18566 1 . ALA 114 114 18566 1 . ASP 115 115 18566 1 . ALA 116 116 18566 1 . MET 117 117 18566 1 . ALA 118 118 18566 1 . VAL 119 119 18566 1 . ASN 120 120 18566 1 . ILE 121 121 18566 1 . LEU 122 122 18566 1 . ASN 123 123 18566 1 . VAL 124 124 18566 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 18566 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $TL-domain . 10754 virus . 'Bacteriophage P22' 'Enterobacteria phage P22' . . Viruses . Bacteriophage P22 Typhimurium . . . . . . . . . . . . . . . 'gp5 (fragment)' . 'amino acids 223-345 from gp5 in bacteriophage P22' . . 18566 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 18566 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $TL-domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET30b . . . 'a thrombin cleavage site with sequence LVPRG was inserted with primers from IDT before the first native serine (223)' . . 18566 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_TL-domain-13C_15N _Sample.Sf_category sample _Sample.Sf_framecode TL-domain-13C_15N _Sample.Entry_ID 18566 _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 TL-domain '[U-13C; U-15N]' . . 1 $TL-domain . . 1.5 . . mM . . . . 18566 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18566 1 3 'sodium azide' 'natural abundance' . . . . . . 0.2 . . '% w/v' . . . . 18566 1 stop_ save_ save_TL-domain-13C_15N_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode TL-domain-13C_15N_in_D2O _Sample.Entry_ID 18566 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '99.8% D2O/0.2% H2O' _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 TL-domain '[U-13C; U-15N]' . . 1 $TL-domain . . 1.5 . . mM . . . . 18566 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18566 2 3 'sodium azide' 'natural abundance' . . . . . . 0.2 . . '% w/v' . . . . 18566 2 stop_ save_ save_TL-domain-15N _Sample.Sf_category sample _Sample.Sf_framecode TL-domain-15N _Sample.Entry_ID 18566 _Sample.ID 3 _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 TL-domain [U-15N] . . 1 $TL-domain . . 1.5 . . mM . . . . 18566 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18566 3 3 'sodium azide' 'natural abundance' . . . . . . 0.2 . . '% w/v' . . . . 18566 3 stop_ save_ save_TL-domain-unlabelled _Sample.Sf_category sample _Sample.Sf_framecode TL-domain-unlabelled _Sample.Entry_ID 18566 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '99.8% D2O/0.2% H2O' _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 TL-domain 'natural abundance' . . 1 $TL-domain . . 1.5 . . mM . . . . 18566 4 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18566 4 3 'sodium azide' 'natural abundance' . . . . . . 0.2 . . '% w/v' . . . . 18566 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_1 _Sample_condition_list.Entry_ID 18566 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'all samples were buffered with 20 mM sodium phosphate and contained 0.2% w/v sodium azide' 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' 20 . mM 18566 1 pH 6.00 . pH 18566 1 pressure 1 . atm 18566 1 temperature 273 . K 18566 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 18566 _Software.ID 1 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 18566 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18566 1 stop_ save_ save_CCPNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNmr_Analysis _Software.Entry_ID 18566 _Software.ID 2 _Software.Name ANALYSIS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18566 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18566 2 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18566 _Software.ID 3 _Software.Name VNMRJ _Software.Version . _Software.Details 'experiments implemented from Varian Biopack' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18566 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18566 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian-600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian-600 _NMR_spectrometer.Entry_ID 18566 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18566 _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 Varian-600 Varian Inova . 600 . . . 18566 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 18566 _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 $NMR_spectrometer_expt . . . . . . . . 3 $TL-domain-15N isotropic . . 1 $sample_condition_1 . . . 1 $Varian-600 . . . . . . . . . . . . . . . . 18566 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $TL-domain-13C_15N_in_D2O isotropic . . 1 $sample_condition_1 . . . 1 $Varian-600 . . . . . . . . . . . . . . . . 18566 1 3 '2D DQF-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 4 $TL-domain-unlabelled isotropic . . 1 $sample_condition_1 . . . 1 $Varian-600 . . . . . . . . . . . . . . . . 18566 1 4 '2D DQF-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 4 $TL-domain-unlabelled isotropic . . 1 $sample_condition_1 . . . 1 $Varian-600 . . . . . . . . . . . . . . . . 18566 1 5 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $TL-domain-13C_15N isotropic . . 1 $sample_condition_1 . . . 1 $Varian-600 . . . . . . . . . . . . . . . . 18566 1 6 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $TL-domain-13C_15N isotropic . . 1 $sample_condition_1 . . . 1 $Varian-600 . . . . . . . . . . . . . . . . 18566 1 7 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $TL-domain-13C_15N isotropic . . 1 $sample_condition_1 . . . 1 $Varian-600 . . . . . . . . . . . . . . . . 18566 1 8 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $TL-domain-13C_15N isotropic . . 1 $sample_condition_1 . . . 1 $Varian-600 . . . . . . . . . . . . . . . . 18566 1 9 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $TL-domain-13C_15N isotropic . . 1 $sample_condition_1 . . . 1 $Varian-600 . . . . . . . . . . . . . . . . 18566 1 10 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $TL-domain-13C_15N isotropic . . 1 $sample_condition_1 . . . 1 $Varian-600 . . . . . . . . . . . . . . . . 18566 1 11 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $TL-domain-13C_15N_in_D2O isotropic . . 1 $sample_condition_1 . . . 1 $Varian-600 . . . . . . . . . . . . . . . . 18566 1 12 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $TL-domain-15N isotropic . . 1 $sample_condition_1 . . . 1 $Varian-600 . . . . . . . . . . . . . . . . 18566 1 13 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $TL-domain-15N isotropic . . 1 $sample_condition_1 . . . 1 $Varian-600 . . . . . . . . . . . . . . . . 18566 1 14 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $TL-domain-15N isotropic . . 1 $sample_condition_1 . . . 1 $Varian-600 . . . . . . . . . . . . . . . . 18566 1 15 '3D HNHB' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $TL-domain-15N isotropic . . 1 $sample_condition_1 . . . 1 $Varian-600 . . . . . . . . . . . . . . . . 18566 1 16 '3D HN(CA)CO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $TL-domain-13C_15N isotropic . . 1 $sample_condition_1 . . . 1 $Varian-600 . . . . . . . . . . . . . . . . 18566 1 17 '2D H-H NOESY (50ms)' no 1 $NMR_spectrometer_expt . . . . . . . . 4 $TL-domain-unlabelled isotropic . . 1 $sample_condition_1 . . . 1 $Varian-600 . . . . . . . . . . . . . . . . 18566 1 18 '3D CCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $TL-domain-13C_15N_in_D2O isotropic . . 1 $sample_condition_1 . . . 1 $Varian-600 . . . . . . . . . . . . . . . . 18566 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18566 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $Varian-600 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_TL-domain_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode TL-domain_referencing _Chem_shift_reference.Entry_ID 18566 _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 . . . . . . . . . 18566 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18566 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18566 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_TL-domain_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode TL-domain_shifts _Assigned_chem_shift_list.Entry_ID 18566 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $TL-domain_referencing _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' . . . 18566 1 2 '2D 1H-13C HSQC' . . . 18566 1 3 '2D DQF-COSY' . . . 18566 1 4 '2D DQF-TOCSY' . . . 18566 1 5 '3D C(CO)NH' . . . 18566 1 6 '3D HNCO' . . . 18566 1 7 '3D HNCA' . . . 18566 1 8 '3D HNCACB' . . . 18566 1 9 '3D HN(CO)CA' . . . 18566 1 10 '3D H(CCO)NH' . . . 18566 1 11 '3D HCCH-TOCSY' . . . 18566 1 12 '3D HNHA' . . . 18566 1 13 '3D 1H-15N NOESY' . . . 18566 1 15 '3D HNHB' . . . 18566 1 16 '3D HN(CA)CO' . . . 18566 1 17 '2D H-H NOESY (50ms)' . . . 18566 1 18 '3D CCH-TOCSY' . . . 18566 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 SER H H 1 8.212 0.05 . 1 . . . A 223 SER H . 18566 1 2 . 1 1 2 2 SER HA H 1 4.555 0.05 . 1 . . . A 223 SER HA . 18566 1 3 . 1 1 2 2 SER HB2 H 1 3.835 0.05 . 2 . . . A 223 SER HB2 . 18566 1 4 . 1 1 2 2 SER HB3 H 1 3.864 0.05 . 2 . . . A 223 SER HB3 . 18566 1 5 . 1 1 2 2 SER C C 13 174.577 0.3 . 1 . . . A 223 SER C . 18566 1 6 . 1 1 2 2 SER CA C 13 58.241 0.3 . 1 . . . A 223 SER CA . 18566 1 7 . 1 1 2 2 SER CB C 13 64 0.3 . 1 . . . A 223 SER CB . 18566 1 8 . 1 1 2 2 SER N N 15 115.171 0.13 . 1 . . . A 223 SER N . 18566 1 9 . 1 1 3 3 THR H H 1 8.327 0.05 . 1 . . . A 224 THR H . 18566 1 10 . 1 1 3 3 THR HA H 1 4.344 0.05 . 1 . . . A 224 THR HA . 18566 1 11 . 1 1 3 3 THR HB H 1 4.257 0.05 . 1 . . . A 224 THR HB . 18566 1 12 . 1 1 3 3 THR HG21 H 1 1.253 0.05 . 1 . . . A 224 THR HG21 . 18566 1 13 . 1 1 3 3 THR HG22 H 1 1.253 0.05 . 1 . . . A 224 THR HG22 . 18566 1 14 . 1 1 3 3 THR HG23 H 1 1.253 0.05 . 1 . . . A 224 THR HG23 . 18566 1 15 . 1 1 3 3 THR C C 13 174.024 0.3 . 1 . . . A 224 THR C . 18566 1 16 . 1 1 3 3 THR CA C 13 61.852 0.3 . 1 . . . A 224 THR CA . 18566 1 17 . 1 1 3 3 THR CB C 13 69.858 0.3 . 1 . . . A 224 THR CB . 18566 1 18 . 1 1 3 3 THR CG2 C 13 20.881 0.3 . 1 . . . A 224 THR CG2 . 18566 1 19 . 1 1 3 3 THR N N 15 116.072 0.13 . 1 . . . A 224 THR N . 18566 1 20 . 1 1 4 4 ALA H H 1 8.367 0.05 . 1 . . . A 225 ALA H . 18566 1 21 . 1 1 4 4 ALA HA H 1 4.468 0.05 . 1 . . . A 225 ALA HA . 18566 1 22 . 1 1 4 4 ALA HB1 H 1 1.429 0.05 . 1 . . . A 225 ALA HB1 . 18566 1 23 . 1 1 4 4 ALA HB2 H 1 1.429 0.05 . 1 . . . A 225 ALA HB2 . 18566 1 24 . 1 1 4 4 ALA HB3 H 1 1.429 0.05 . 1 . . . A 225 ALA HB3 . 18566 1 25 . 1 1 4 4 ALA C C 13 177.713 0.3 . 1 . . . A 225 ALA C . 18566 1 26 . 1 1 4 4 ALA CA C 13 52.526 0.3 . 1 . . . A 225 ALA CA . 18566 1 27 . 1 1 4 4 ALA CB C 13 19.299 0.3 . 1 . . . A 225 ALA CB . 18566 1 28 . 1 1 4 4 ALA N N 15 126.55 0.13 . 1 . . . A 225 ALA N . 18566 1 29 . 1 1 5 5 THR H H 1 8.209 0.05 . 1 . . . A 226 THR H . 18566 1 30 . 1 1 5 5 THR HA H 1 4.404 0.05 . 1 . . . A 226 THR HA . 18566 1 31 . 1 1 5 5 THR HB H 1 4.254 0.05 . 1 . . . A 226 THR HB . 18566 1 32 . 1 1 5 5 THR HG21 H 1 1.255 0.05 . 1 . . . A 226 THR HG21 . 18566 1 33 . 1 1 5 5 THR HG22 H 1 1.255 0.05 . 1 . . . A 226 THR HG22 . 18566 1 34 . 1 1 5 5 THR HG23 H 1 1.255 0.05 . 1 . . . A 226 THR HG23 . 18566 1 35 . 1 1 5 5 THR C C 13 175.209 0.3 . 1 . . . A 226 THR C . 18566 1 36 . 1 1 5 5 THR CA C 13 61.828 0.3 . 1 . . . A 226 THR CA . 18566 1 37 . 1 1 5 5 THR CB C 13 70.192 0.3 . 1 . . . A 226 THR CB . 18566 1 38 . 1 1 5 5 THR CG2 C 13 20.884 0.3 . 1 . . . A 226 THR CG2 . 18566 1 39 . 1 1 5 5 THR N N 15 112.622 0.13 . 1 . . . A 226 THR N . 18566 1 40 . 1 1 6 6 GLY H H 1 8.29 0.05 . 1 . . . A 227 GLY H . 18566 1 41 . 1 1 6 6 GLY HA2 H 1 4.005 0.05 . 1 . . . A 227 GLY HA2 . 18566 1 42 . 1 1 6 6 GLY HA3 H 1 4.005 0.05 . 1 . . . A 227 GLY HA3 . 18566 1 43 . 1 1 6 6 GLY C C 13 173.591 0.3 . 1 . . . A 227 GLY C . 18566 1 44 . 1 1 6 6 GLY CA C 13 45.498 0.3 . 1 . . . A 227 GLY CA . 18566 1 45 . 1 1 6 6 GLY N N 15 110.864 0.13 . 1 . . . A 227 GLY N . 18566 1 46 . 1 1 7 7 ILE H H 1 8.522 0.05 . 1 . . . A 228 ILE H . 18566 1 47 . 1 1 7 7 ILE HA H 1 3.953 0.05 . 1 . . . A 228 ILE HA . 18566 1 48 . 1 1 7 7 ILE HB H 1 1.733 0.05 . 1 . . . A 228 ILE HB . 18566 1 49 . 1 1 7 7 ILE HG12 H 1 1.027 0.05 . 2 . . . A 228 ILE HG12 . 18566 1 50 . 1 1 7 7 ILE HG13 H 1 1.549 0.05 . 2 . . . A 228 ILE HG13 . 18566 1 51 . 1 1 7 7 ILE HG21 H 1 1.074 0.05 . 1 . . . A 228 ILE HG21 . 18566 1 52 . 1 1 7 7 ILE HG22 H 1 1.074 0.05 . 1 . . . A 228 ILE HG22 . 18566 1 53 . 1 1 7 7 ILE HG23 H 1 1.074 0.05 . 1 . . . A 228 ILE HG23 . 18566 1 54 . 1 1 7 7 ILE HD11 H 1 0.817 0.05 . 1 . . . A 228 ILE HD11 . 18566 1 55 . 1 1 7 7 ILE HD12 H 1 0.817 0.05 . 1 . . . A 228 ILE HD12 . 18566 1 56 . 1 1 7 7 ILE HD13 H 1 0.817 0.05 . 1 . . . A 228 ILE HD13 . 18566 1 57 . 1 1 7 7 ILE C C 13 175.781 0.3 . 1 . . . A 228 ILE C . 18566 1 58 . 1 1 7 7 ILE CA C 13 61.894 0.3 . 1 . . . A 228 ILE CA . 18566 1 59 . 1 1 7 7 ILE CB C 13 39.161 0.3 . 1 . . . A 228 ILE CB . 18566 1 60 . 1 1 7 7 ILE CG1 C 13 28.161 0.3 . 1 . . . A 228 ILE CG1 . 18566 1 61 . 1 1 7 7 ILE CG2 C 13 19.029 0.3 . 1 . . . A 228 ILE CG2 . 18566 1 62 . 1 1 7 7 ILE CD1 C 13 13.295 0.3 . 1 . . . A 228 ILE CD1 . 18566 1 63 . 1 1 7 7 ILE N N 15 122.847 0.13 . 1 . . . A 228 ILE N . 18566 1 64 . 1 1 8 8 THR H H 1 8.666 0.05 . 1 . . . A 229 THR H . 18566 1 65 . 1 1 8 8 THR HA H 1 5.344 0.05 . 1 . . . A 229 THR HA . 18566 1 66 . 1 1 8 8 THR HB H 1 3.87 0.05 . 1 . . . A 229 THR HB . 18566 1 67 . 1 1 8 8 THR HG21 H 1 1.007 0.05 . 1 . . . A 229 THR HG21 . 18566 1 68 . 1 1 8 8 THR HG22 H 1 1.007 0.05 . 1 . . . A 229 THR HG22 . 18566 1 69 . 1 1 8 8 THR HG23 H 1 1.007 0.05 . 1 . . . A 229 THR HG23 . 18566 1 70 . 1 1 8 8 THR C C 13 174.312 0.3 . 1 . . . A 229 THR C . 18566 1 71 . 1 1 8 8 THR CA C 13 58.835 0.3 . 1 . . . A 229 THR CA . 18566 1 72 . 1 1 8 8 THR CB C 13 73.445 0.3 . 1 . . . A 229 THR CB . 18566 1 73 . 1 1 8 8 THR CG2 C 13 22.006 0.3 . 1 . . . A 229 THR CG2 . 18566 1 74 . 1 1 8 8 THR N N 15 116.429 0.13 . 1 . . . A 229 THR N . 18566 1 75 . 1 1 9 9 VAL H H 1 8.869 0.05 . 1 . . . A 230 VAL H . 18566 1 76 . 1 1 9 9 VAL HA H 1 3.774 0.05 . 1 . . . A 230 VAL HA . 18566 1 77 . 1 1 9 9 VAL HB H 1 2.316 0.05 . 1 . . . A 230 VAL HB . 18566 1 78 . 1 1 9 9 VAL HG11 H 1 0.836 0.05 . 2 . . . A 230 VAL HG11 . 18566 1 79 . 1 1 9 9 VAL HG12 H 1 0.836 0.05 . 2 . . . A 230 VAL HG12 . 18566 1 80 . 1 1 9 9 VAL HG13 H 1 0.836 0.05 . 2 . . . A 230 VAL HG13 . 18566 1 81 . 1 1 9 9 VAL HG21 H 1 0.993 0.05 . 2 . . . A 230 VAL HG21 . 18566 1 82 . 1 1 9 9 VAL HG22 H 1 0.993 0.05 . 2 . . . A 230 VAL HG22 . 18566 1 83 . 1 1 9 9 VAL HG23 H 1 0.993 0.05 . 2 . . . A 230 VAL HG23 . 18566 1 84 . 1 1 9 9 VAL C C 13 176.075 0.3 . 1 . . . A 230 VAL C . 18566 1 85 . 1 1 9 9 VAL CA C 13 64.583 0.3 . 1 . . . A 230 VAL CA . 18566 1 86 . 1 1 9 9 VAL CB C 13 32.433 0.3 . 1 . . . A 230 VAL CB . 18566 1 87 . 1 1 9 9 VAL CG1 C 13 23.453 0.3 . 2 . . . A 230 VAL CG1 . 18566 1 88 . 1 1 9 9 VAL CG2 C 13 24.527 0.3 . 2 . . . A 230 VAL CG2 . 18566 1 89 . 1 1 9 9 VAL N N 15 121.984 0.13 . 1 . . . A 230 VAL N . 18566 1 90 . 1 1 10 10 SER H H 1 7.811 0.05 . 1 . . . A 231 SER H . 18566 1 91 . 1 1 10 10 SER HA H 1 4.801 0.05 . 1 . . . A 231 SER HA . 18566 1 92 . 1 1 10 10 SER HB2 H 1 3.169 0.05 . 2 . . . A 231 SER HB2 . 18566 1 93 . 1 1 10 10 SER HB3 H 1 3.492 0.05 . 2 . . . A 231 SER HB3 . 18566 1 94 . 1 1 10 10 SER C C 13 173.042 0.3 . 1 . . . A 231 SER C . 18566 1 95 . 1 1 10 10 SER CA C 13 55.718 0.3 . 1 . . . A 231 SER CA . 18566 1 96 . 1 1 10 10 SER CB C 13 62.946 0.3 . 1 . . . A 231 SER CB . 18566 1 97 . 1 1 10 10 SER N N 15 124.664 0.13 . 1 . . . A 231 SER N . 18566 1 98 . 1 1 11 11 GLY H H 1 9.17 0.05 . 1 . . . A 232 GLY H . 18566 1 99 . 1 1 11 11 GLY HA2 H 1 3.459 0.05 . 2 . . . A 232 GLY HA2 . 18566 1 100 . 1 1 11 11 GLY HA3 H 1 4.18 0.05 . 2 . . . A 232 GLY HA3 . 18566 1 101 . 1 1 11 11 GLY C C 13 172.061 0.3 . 1 . . . A 232 GLY C . 18566 1 102 . 1 1 11 11 GLY CA C 13 43.544 0.3 . 1 . . . A 232 GLY CA . 18566 1 103 . 1 1 11 11 GLY N N 15 116.023 0.13 . 1 . . . A 232 GLY N . 18566 1 104 . 1 1 12 12 ALA H H 1 8.282 0.05 . 1 . . . A 233 ALA H . 18566 1 105 . 1 1 12 12 ALA HA H 1 4.289 0.05 . 1 . . . A 233 ALA HA . 18566 1 106 . 1 1 12 12 ALA HB1 H 1 1.372 0.05 . 1 . . . A 233 ALA HB1 . 18566 1 107 . 1 1 12 12 ALA HB2 H 1 1.372 0.05 . 1 . . . A 233 ALA HB2 . 18566 1 108 . 1 1 12 12 ALA HB3 H 1 1.372 0.05 . 1 . . . A 233 ALA HB3 . 18566 1 109 . 1 1 12 12 ALA C C 13 178.881 0.3 . 1 . . . A 233 ALA C . 18566 1 110 . 1 1 12 12 ALA CA C 13 52.951 0.3 . 1 . . . A 233 ALA CA . 18566 1 111 . 1 1 12 12 ALA CB C 13 18.107 0.3 . 1 . . . A 233 ALA CB . 18566 1 112 . 1 1 12 12 ALA N N 15 124.601 0.13 . 1 . . . A 233 ALA N . 18566 1 113 . 1 1 13 13 GLN H H 1 8.191 0.05 . 1 . . . A 234 GLN H . 18566 1 114 . 1 1 13 13 GLN HA H 1 4.433 0.05 . 1 . . . A 234 GLN HA . 18566 1 115 . 1 1 13 13 GLN HB2 H 1 1.92 0.05 . 2 . . . A 234 GLN HB2 . 18566 1 116 . 1 1 13 13 GLN HB3 H 1 1.436 0.05 . 2 . . . A 234 GLN HB3 . 18566 1 117 . 1 1 13 13 GLN HG2 H 1 2.045 0.05 . 2 . . . A 234 GLN HG2 . 18566 1 118 . 1 1 13 13 GLN HG3 H 1 2.045 0.05 . 2 . . . A 234 GLN HG3 . 18566 1 119 . 1 1 13 13 GLN C C 13 172.394 0.3 . 1 . . . A 234 GLN C . 18566 1 120 . 1 1 13 13 GLN CA C 13 55.564 0.3 . 1 . . . A 234 GLN CA . 18566 1 121 . 1 1 13 13 GLN CB C 13 35.279 0.3 . 1 . . . A 234 GLN CB . 18566 1 122 . 1 1 13 13 GLN CG C 13 34.387 0.3 . 1 . . . A 234 GLN CG . 18566 1 123 . 1 1 13 13 GLN N N 15 124.071 0.13 . 1 . . . A 234 GLN N . 18566 1 124 . 1 1 14 14 SER H H 1 7.729 0.05 . 1 . . . A 235 SER H . 18566 1 125 . 1 1 14 14 SER HA H 1 4.667 0.05 . 1 . . . A 235 SER HA . 18566 1 126 . 1 1 14 14 SER HB2 H 1 3.612 0.05 . 2 . . . A 235 SER HB2 . 18566 1 127 . 1 1 14 14 SER HB3 H 1 3.72 0.05 . 2 . . . A 235 SER HB3 . 18566 1 128 . 1 1 14 14 SER C C 13 172.983 0.3 . 1 . . . A 235 SER C . 18566 1 129 . 1 1 14 14 SER CA C 13 56.37 0.3 . 1 . . . A 235 SER CA . 18566 1 130 . 1 1 14 14 SER CB C 13 65.009 0.3 . 1 . . . A 235 SER CB . 18566 1 131 . 1 1 14 14 SER N N 15 115.677 0.13 . 1 . . . A 235 SER N . 18566 1 132 . 1 1 15 15 PHE H H 1 8.48 0.05 . 1 . . . A 236 PHE H . 18566 1 133 . 1 1 15 15 PHE HA H 1 4.803 0.05 . 1 . . . A 236 PHE HA . 18566 1 134 . 1 1 15 15 PHE HB2 H 1 3.064 0.05 . 1 . . . A 236 PHE HB2 . 18566 1 135 . 1 1 15 15 PHE HB3 H 1 2.889 0.05 . 1 . . . A 236 PHE HB3 . 18566 1 136 . 1 1 15 15 PHE HD1 H 1 7.407 0.05 . 3 . . . A 236 PHE HD1 . 18566 1 137 . 1 1 15 15 PHE HD2 H 1 7.407 0.05 . 3 . . . A 236 PHE HD2 . 18566 1 138 . 1 1 15 15 PHE HE1 H 1 7.229 0.05 . 3 . . . A 236 PHE HE1 . 18566 1 139 . 1 1 15 15 PHE HE2 H 1 7.229 0.05 . 3 . . . A 236 PHE HE2 . 18566 1 140 . 1 1 15 15 PHE HZ H 1 6.979 0.05 . 1 . . . A 236 PHE HZ . 18566 1 141 . 1 1 15 15 PHE C C 13 174.412 0.3 . 1 . . . A 236 PHE C . 18566 1 142 . 1 1 15 15 PHE CA C 13 57.29 0.3 . 1 . . . A 236 PHE CA . 18566 1 143 . 1 1 15 15 PHE CB C 13 41.072 0.3 . 1 . . . A 236 PHE CB . 18566 1 144 . 1 1 15 15 PHE CD1 C 13 130.633 0.3 . 3 . . . A 236 PHE CD1 . 18566 1 145 . 1 1 15 15 PHE CD2 C 13 130.633 0.3 . 3 . . . A 236 PHE CD2 . 18566 1 146 . 1 1 15 15 PHE CE1 C 13 130.549 0.3 . 3 . . . A 236 PHE CE1 . 18566 1 147 . 1 1 15 15 PHE CE2 C 13 130.549 0.3 . 3 . . . A 236 PHE CE2 . 18566 1 148 . 1 1 15 15 PHE CZ C 13 126.299 0.3 . 1 . . . A 236 PHE CZ . 18566 1 149 . 1 1 15 15 PHE N N 15 120.569 0.13 . 1 . . . A 236 PHE N . 18566 1 150 . 1 1 16 16 LYS H H 1 8.796 0.05 . 1 . . . A 237 LYS H . 18566 1 151 . 1 1 16 16 LYS HA H 1 4.79 0.05 . 1 . . . A 237 LYS HA . 18566 1 152 . 1 1 16 16 LYS HB2 H 1 1.704 0.05 . 2 . . . A 237 LYS HB2 . 18566 1 153 . 1 1 16 16 LYS HB3 H 1 1.703 0.05 . 2 . . . A 237 LYS HB3 . 18566 1 154 . 1 1 16 16 LYS HG2 H 1 1.484 0.05 . 2 . . . A 237 LYS HG2 . 18566 1 155 . 1 1 16 16 LYS HG3 H 1 1.372 0.05 . 2 . . . A 237 LYS HG3 . 18566 1 156 . 1 1 16 16 LYS HD2 H 1 1.562 0.05 . 2 . . . A 237 LYS HD2 . 18566 1 157 . 1 1 16 16 LYS HD3 H 1 1.621 0.05 . 2 . . . A 237 LYS HD3 . 18566 1 158 . 1 1 16 16 LYS HE2 H 1 2.914 0.05 . 2 . . . A 237 LYS HE2 . 18566 1 159 . 1 1 16 16 LYS HE3 H 1 2.914 0.05 . 2 . . . A 237 LYS HE3 . 18566 1 160 . 1 1 16 16 LYS C C 13 174.481 0.3 . 1 . . . A 237 LYS C . 18566 1 161 . 1 1 16 16 LYS CA C 13 52.639 0.3 . 1 . . . A 237 LYS CA . 18566 1 162 . 1 1 16 16 LYS CB C 13 33.344 0.3 . 1 . . . A 237 LYS CB . 18566 1 163 . 1 1 16 16 LYS CG C 13 25.162 0.3 . 1 . . . A 237 LYS CG . 18566 1 164 . 1 1 16 16 LYS CD C 13 28.898 0.3 . 1 . . . A 237 LYS CD . 18566 1 165 . 1 1 16 16 LYS CE C 13 42.18 0.3 . 1 . . . A 237 LYS CE . 18566 1 166 . 1 1 16 16 LYS N N 15 120.37 0.13 . 1 . . . A 237 LYS N . 18566 1 167 . 1 1 17 17 PRO HA H 1 4.544 0.05 . 1 . . . A 238 PRO HA . 18566 1 168 . 1 1 17 17 PRO HB2 H 1 1.646 0.05 . 2 . . . A 238 PRO HB2 . 18566 1 169 . 1 1 17 17 PRO HB3 H 1 1.96 0.05 . 2 . . . A 238 PRO HB3 . 18566 1 170 . 1 1 17 17 PRO HG2 H 1 2.076 0.05 . 2 . . . A 238 PRO HG2 . 18566 1 171 . 1 1 17 17 PRO HG3 H 1 2.313 0.05 . 2 . . . A 238 PRO HG3 . 18566 1 172 . 1 1 17 17 PRO HD2 H 1 3.67 0.05 . 2 . . . A 238 PRO HD2 . 18566 1 173 . 1 1 17 17 PRO HD3 H 1 3.489 0.05 . 2 . . . A 238 PRO HD3 . 18566 1 174 . 1 1 17 17 PRO C C 13 175.513 0.3 . 1 . . . A 238 PRO C . 18566 1 175 . 1 1 17 17 PRO CA C 13 62.252 0.3 . 1 . . . A 238 PRO CA . 18566 1 176 . 1 1 17 17 PRO CB C 13 31.448 0.3 . 1 . . . A 238 PRO CB . 18566 1 177 . 1 1 17 17 PRO CG C 13 26.976 0.3 . 1 . . . A 238 PRO CG . 18566 1 178 . 1 1 17 17 PRO CD C 13 49.662 0.3 . 1 . . . A 238 PRO CD . 18566 1 179 . 1 1 18 18 VAL H H 1 8.1 0.05 . 1 . . . A 239 VAL H . 18566 1 180 . 1 1 18 18 VAL HA H 1 4.065 0.05 . 1 . . . A 239 VAL HA . 18566 1 181 . 1 1 18 18 VAL HB H 1 1.875 0.05 . 1 . . . A 239 VAL HB . 18566 1 182 . 1 1 18 18 VAL HG11 H 1 0.815 0.05 . 2 . . . A 239 VAL HG11 . 18566 1 183 . 1 1 18 18 VAL HG12 H 1 0.815 0.05 . 2 . . . A 239 VAL HG12 . 18566 1 184 . 1 1 18 18 VAL HG13 H 1 0.815 0.05 . 2 . . . A 239 VAL HG13 . 18566 1 185 . 1 1 18 18 VAL HG21 H 1 0.824 0.05 . 2 . . . A 239 VAL HG21 . 18566 1 186 . 1 1 18 18 VAL HG22 H 1 0.824 0.05 . 2 . . . A 239 VAL HG22 . 18566 1 187 . 1 1 18 18 VAL HG23 H 1 0.824 0.05 . 2 . . . A 239 VAL HG23 . 18566 1 188 . 1 1 18 18 VAL C C 13 174.903 0.3 . 1 . . . A 239 VAL C . 18566 1 189 . 1 1 18 18 VAL CA C 13 61.63 0.3 . 1 . . . A 239 VAL CA . 18566 1 190 . 1 1 18 18 VAL CB C 13 33.143 0.3 . 1 . . . A 239 VAL CB . 18566 1 191 . 1 1 18 18 VAL CG1 C 13 21.43 0.3 . 2 . . . A 239 VAL CG1 . 18566 1 192 . 1 1 18 18 VAL CG2 C 13 20.558 0.3 . 2 . . . A 239 VAL CG2 . 18566 1 193 . 1 1 18 18 VAL N N 15 119.994 0.13 . 1 . . . A 239 VAL N . 18566 1 194 . 1 1 19 19 ALA H H 1 8.28 0.05 . 1 . . . A 240 ALA H . 18566 1 195 . 1 1 19 19 ALA HA H 1 4.314 0.05 . 1 . . . A 240 ALA HA . 18566 1 196 . 1 1 19 19 ALA HB1 H 1 1.268 0.05 . 1 . . . A 240 ALA HB1 . 18566 1 197 . 1 1 19 19 ALA HB2 H 1 1.268 0.05 . 1 . . . A 240 ALA HB2 . 18566 1 198 . 1 1 19 19 ALA HB3 H 1 1.268 0.05 . 1 . . . A 240 ALA HB3 . 18566 1 199 . 1 1 19 19 ALA C C 13 176.744 0.3 . 1 . . . A 240 ALA C . 18566 1 200 . 1 1 19 19 ALA CA C 13 52.137 0.3 . 1 . . . A 240 ALA CA . 18566 1 201 . 1 1 19 19 ALA CB C 13 19.899 0.3 . 1 . . . A 240 ALA CB . 18566 1 202 . 1 1 19 19 ALA N N 15 127.513 0.13 . 1 . . . A 240 ALA N . 18566 1 203 . 1 1 20 20 TRP H H 1 7.724 0.05 . 1 . . . A 241 TRP H . 18566 1 204 . 1 1 20 20 TRP HA H 1 2.873 0.05 . 1 . . . A 241 TRP HA . 18566 1 205 . 1 1 20 20 TRP HB3 H 1 3.151 0.05 . 1 . . . A 241 TRP HB3 . 18566 1 206 . 1 1 20 20 TRP HD1 H 1 7.282 0.05 . 1 . . . A 241 TRP HD1 . 18566 1 207 . 1 1 20 20 TRP HE1 H 1 10.177 0.05 . 1 . . . A 241 TRP HE1 . 18566 1 208 . 1 1 20 20 TRP HZ2 H 1 7.465 0.05 . 1 . . . A 241 TRP HZ2 . 18566 1 209 . 1 1 20 20 TRP HZ3 H 1 7.032 0.05 . 1 . . . A 241 TRP HZ3 . 18566 1 210 . 1 1 20 20 TRP HH2 H 1 7.186 0.05 . 1 . . . A 241 TRP HH2 . 18566 1 211 . 1 1 20 20 TRP C C 13 174.984 0.3 . 1 . . . A 241 TRP C . 18566 1 212 . 1 1 20 20 TRP CA C 13 59.658 0.3 . 1 . . . A 241 TRP CA . 18566 1 213 . 1 1 20 20 TRP CB C 13 29.666 0.3 . 1 . . . A 241 TRP CB . 18566 1 214 . 1 1 20 20 TRP N N 15 119.004 0.13 . 1 . . . A 241 TRP N . 18566 1 215 . 1 1 20 20 TRP NE1 N 15 129.696 0.13 . 1 . . . A 241 TRP NE1 . 18566 1 216 . 1 1 21 21 GLN HA H 1 4.009 0.05 . 1 . . . A 242 GLN HA . 18566 1 217 . 1 1 21 21 GLN HB2 H 1 2.043 0.05 . 2 . . . A 242 GLN HB2 . 18566 1 218 . 1 1 21 21 GLN HB3 H 1 2.047 0.05 . 2 . . . A 242 GLN HB3 . 18566 1 219 . 1 1 21 21 GLN HG2 H 1 2.494 0.05 . 2 . . . A 242 GLN HG2 . 18566 1 220 . 1 1 21 21 GLN HG3 H 1 2.427 0.05 . 2 . . . A 242 GLN HG3 . 18566 1 221 . 1 1 21 21 GLN CA C 13 55.09 0.3 . 1 . . . A 242 GLN CA . 18566 1 222 . 1 1 21 21 GLN CB C 13 33.338 0.3 . 1 . . . A 242 GLN CB . 18566 1 223 . 1 1 21 21 GLN CG C 13 30.895 0.3 . 1 . . . A 242 GLN CG . 18566 1 224 . 1 1 22 22 LEU HB2 H 1 1.664 0.05 . 2 . . . A 243 LEU HB2 . 18566 1 225 . 1 1 22 22 LEU HB3 H 1 1.515 0.05 . 2 . . . A 243 LEU HB3 . 18566 1 226 . 1 1 22 22 LEU HG H 1 1.652 0.05 . 1 . . . A 243 LEU HG . 18566 1 227 . 1 1 22 22 LEU HD11 H 1 0.825 0.05 . 2 . . . A 243 LEU HD11 . 18566 1 228 . 1 1 22 22 LEU HD12 H 1 0.825 0.05 . 2 . . . A 243 LEU HD12 . 18566 1 229 . 1 1 22 22 LEU HD13 H 1 0.825 0.05 . 2 . . . A 243 LEU HD13 . 18566 1 230 . 1 1 22 22 LEU HD21 H 1 0.936 0.05 . 2 . . . A 243 LEU HD21 . 18566 1 231 . 1 1 22 22 LEU HD22 H 1 0.936 0.05 . 2 . . . A 243 LEU HD22 . 18566 1 232 . 1 1 22 22 LEU HD23 H 1 0.936 0.05 . 2 . . . A 243 LEU HD23 . 18566 1 233 . 1 1 22 22 LEU CA C 13 55.015 0.3 . 1 . . . A 243 LEU CA . 18566 1 234 . 1 1 22 22 LEU CB C 13 43.097 0.3 . 1 . . . A 243 LEU CB . 18566 1 235 . 1 1 22 22 LEU CG C 13 27.094 0.3 . 1 . . . A 243 LEU CG . 18566 1 236 . 1 1 22 22 LEU CD1 C 13 23.786 0.3 . 2 . . . A 243 LEU CD1 . 18566 1 237 . 1 1 22 22 LEU CD2 C 13 25.026 0.3 . 2 . . . A 243 LEU CD2 . 18566 1 238 . 1 1 23 23 ASP CA C 13 54.573 0.3 . 1 . . . A 244 ASP CA . 18566 1 239 . 1 1 23 23 ASP CB C 13 38.729 0.3 . 1 . . . A 244 ASP CB . 18566 1 240 . 1 1 24 24 ASN H H 1 8.341 0.05 . 1 . . . A 245 ASN H . 18566 1 241 . 1 1 24 24 ASN C C 13 175.454 0.3 . 1 . . . A 245 ASN C . 18566 1 242 . 1 1 24 24 ASN CA C 13 54.877 0.3 . 1 . . . A 245 ASN CA . 18566 1 243 . 1 1 24 24 ASN CB C 13 38.958 0.3 . 1 . . . A 245 ASN CB . 18566 1 244 . 1 1 24 24 ASN N N 15 117.168 0.13 . 1 . . . A 245 ASN N . 18566 1 245 . 1 1 25 25 ASP H H 1 8.184 0.05 . 1 . . . A 246 ASP H . 18566 1 246 . 1 1 25 25 ASP HA H 1 4.696 0.05 . 1 . . . A 246 ASP HA . 18566 1 247 . 1 1 25 25 ASP HB2 H 1 2.639 0.05 . 2 . . . A 246 ASP HB2 . 18566 1 248 . 1 1 25 25 ASP HB3 H 1 2.791 0.05 . 2 . . . A 246 ASP HB3 . 18566 1 249 . 1 1 25 25 ASP C C 13 176.329 0.3 . 1 . . . A 246 ASP C . 18566 1 250 . 1 1 25 25 ASP CA C 13 54.491 0.3 . 1 . . . A 246 ASP CA . 18566 1 251 . 1 1 25 25 ASP CB C 13 41.757 0.3 . 1 . . . A 246 ASP CB . 18566 1 252 . 1 1 25 25 ASP N N 15 119.267 0.13 . 1 . . . A 246 ASP N . 18566 1 253 . 1 1 26 26 GLY H H 1 8.175 0.05 . 1 . . . A 247 GLY H . 18566 1 254 . 1 1 26 26 GLY HA2 H 1 3.75 0.05 . 2 . . . A 247 GLY HA2 . 18566 1 255 . 1 1 26 26 GLY HA3 H 1 4.087 0.05 . 2 . . . A 247 GLY HA3 . 18566 1 256 . 1 1 26 26 GLY C C 13 174.062 0.3 . 1 . . . A 247 GLY C . 18566 1 257 . 1 1 26 26 GLY CA C 13 45.827 0.3 . 1 . . . A 247 GLY CA . 18566 1 258 . 1 1 26 26 GLY N N 15 108.387 0.13 . 1 . . . A 247 GLY N . 18566 1 259 . 1 1 27 27 ASN H H 1 8.489 0.05 . 1 . . . A 248 ASN H . 18566 1 260 . 1 1 27 27 ASN HA H 1 4.707 0.05 . 1 . . . A 248 ASN HA . 18566 1 261 . 1 1 27 27 ASN HB2 H 1 2.696 0.05 . 2 . . . A 248 ASN HB2 . 18566 1 262 . 1 1 27 27 ASN HB3 H 1 2.858 0.05 . 2 . . . A 248 ASN HB3 . 18566 1 263 . 1 1 27 27 ASN C C 13 174.896 0.3 . 1 . . . A 248 ASN C . 18566 1 264 . 1 1 27 27 ASN CA C 13 53.114 0.3 . 1 . . . A 248 ASN CA . 18566 1 265 . 1 1 27 27 ASN CB C 13 39.112 0.3 . 1 . . . A 248 ASN CB . 18566 1 266 . 1 1 27 27 ASN N N 15 119.09 0.13 . 1 . . . A 248 ASN N . 18566 1 267 . 1 1 28 28 LYS H H 1 8.334 0.05 . 1 . . . A 249 LYS H . 18566 1 268 . 1 1 28 28 LYS HA H 1 4.431 0.05 . 1 . . . A 249 LYS HA . 18566 1 269 . 1 1 28 28 LYS HB2 H 1 1.663 0.05 . 1 . . . A 249 LYS HB2 . 18566 1 270 . 1 1 28 28 LYS HB3 H 1 1.663 0.05 . 1 . . . A 249 LYS HB3 . 18566 1 271 . 1 1 28 28 LYS HG2 H 1 1.347 0.05 . 2 . . . A 249 LYS HG2 . 18566 1 272 . 1 1 28 28 LYS HG3 H 1 1.159 0.05 . 2 . . . A 249 LYS HG3 . 18566 1 273 . 1 1 28 28 LYS HD2 H 1 1.337 0.05 . 2 . . . A 249 LYS HD2 . 18566 1 274 . 1 1 28 28 LYS HD3 H 1 1.381 0.05 . 2 . . . A 249 LYS HD3 . 18566 1 275 . 1 1 28 28 LYS HE2 H 1 2.635 0.05 . 2 . . . A 249 LYS HE2 . 18566 1 276 . 1 1 28 28 LYS HE3 H 1 2.574 0.05 . 2 . . . A 249 LYS HE3 . 18566 1 277 . 1 1 28 28 LYS C C 13 176.384 0.3 . 1 . . . A 249 LYS C . 18566 1 278 . 1 1 28 28 LYS CA C 13 56.812 0.3 . 1 . . . A 249 LYS CA . 18566 1 279 . 1 1 28 28 LYS CB C 13 32.903 0.3 . 1 . . . A 249 LYS CB . 18566 1 280 . 1 1 28 28 LYS CG C 13 24.972 0.3 . 1 . . . A 249 LYS CG . 18566 1 281 . 1 1 28 28 LYS CD C 13 28.921 0.3 . 1 . . . A 249 LYS CD . 18566 1 282 . 1 1 28 28 LYS CE C 13 41.715 0.3 . 1 . . . A 249 LYS CE . 18566 1 283 . 1 1 28 28 LYS N N 15 121.266 0.13 . 1 . . . A 249 LYS N . 18566 1 284 . 1 1 29 29 VAL H H 1 8.561 0.05 . 1 . . . A 250 VAL H . 18566 1 285 . 1 1 29 29 VAL HA H 1 4.273 0.05 . 1 . . . A 250 VAL HA . 18566 1 286 . 1 1 29 29 VAL HB H 1 2.059 0.05 . 1 . . . A 250 VAL HB . 18566 1 287 . 1 1 29 29 VAL HG11 H 1 0.904 0.05 . 2 . . . A 250 VAL HG11 . 18566 1 288 . 1 1 29 29 VAL HG12 H 1 0.904 0.05 . 2 . . . A 250 VAL HG12 . 18566 1 289 . 1 1 29 29 VAL HG13 H 1 0.904 0.05 . 2 . . . A 250 VAL HG13 . 18566 1 290 . 1 1 29 29 VAL HG21 H 1 0.904 0.05 . 2 . . . A 250 VAL HG21 . 18566 1 291 . 1 1 29 29 VAL HG22 H 1 0.904 0.05 . 2 . . . A 250 VAL HG22 . 18566 1 292 . 1 1 29 29 VAL HG23 H 1 0.904 0.05 . 2 . . . A 250 VAL HG23 . 18566 1 293 . 1 1 29 29 VAL C C 13 175.402 0.3 . 1 . . . A 250 VAL C . 18566 1 294 . 1 1 29 29 VAL CA C 13 61.701 0.3 . 1 . . . A 250 VAL CA . 18566 1 295 . 1 1 29 29 VAL CB C 13 33.667 0.3 . 1 . . . A 250 VAL CB . 18566 1 296 . 1 1 29 29 VAL CG1 C 13 20.428 0.3 . 2 . . . A 250 VAL CG1 . 18566 1 297 . 1 1 29 29 VAL CG2 C 13 21.331 0.3 . 2 . . . A 250 VAL CG2 . 18566 1 298 . 1 1 29 29 VAL N N 15 121.631 0.13 . 1 . . . A 250 VAL N . 18566 1 299 . 1 1 30 30 ASN H H 1 8.496 0.05 . 1 . . . A 251 ASN H . 18566 1 300 . 1 1 30 30 ASN HA H 1 4.765 0.05 . 1 . . . A 251 ASN HA . 18566 1 301 . 1 1 30 30 ASN HB2 H 1 2.624 0.05 . 2 . . . A 251 ASN HB2 . 18566 1 302 . 1 1 30 30 ASN HB3 H 1 2.735 0.05 . 2 . . . A 251 ASN HB3 . 18566 1 303 . 1 1 30 30 ASN C C 13 174.98 0.3 . 1 . . . A 251 ASN C . 18566 1 304 . 1 1 30 30 ASN CA C 13 53.436 0.3 . 1 . . . A 251 ASN CA . 18566 1 305 . 1 1 30 30 ASN CB C 13 39.011 0.3 . 1 . . . A 251 ASN CB . 18566 1 306 . 1 1 30 30 ASN N N 15 122.256 0.13 . 1 . . . A 251 ASN N . 18566 1 307 . 1 1 31 31 VAL H H 1 7.978 0.05 . 1 . . . A 252 VAL H . 18566 1 308 . 1 1 31 31 VAL HA H 1 4.145 0.05 . 1 . . . A 252 VAL HA . 18566 1 309 . 1 1 31 31 VAL HB H 1 1.992 0.05 . 1 . . . A 252 VAL HB . 18566 1 310 . 1 1 31 31 VAL HG11 H 1 0.814 0.05 . 2 . . . A 252 VAL HG11 . 18566 1 311 . 1 1 31 31 VAL HG12 H 1 0.814 0.05 . 2 . . . A 252 VAL HG12 . 18566 1 312 . 1 1 31 31 VAL HG13 H 1 0.814 0.05 . 2 . . . A 252 VAL HG13 . 18566 1 313 . 1 1 31 31 VAL HG21 H 1 0.807 0.05 . 2 . . . A 252 VAL HG21 . 18566 1 314 . 1 1 31 31 VAL HG22 H 1 0.807 0.05 . 2 . . . A 252 VAL HG22 . 18566 1 315 . 1 1 31 31 VAL HG23 H 1 0.807 0.05 . 2 . . . A 252 VAL HG23 . 18566 1 316 . 1 1 31 31 VAL C C 13 175.018 0.3 . 1 . . . A 252 VAL C . 18566 1 317 . 1 1 31 31 VAL CA C 13 61.866 0.3 . 1 . . . A 252 VAL CA . 18566 1 318 . 1 1 31 31 VAL CB C 13 33.231 0.3 . 1 . . . A 252 VAL CB . 18566 1 319 . 1 1 31 31 VAL CG1 C 13 21.363 0.3 . 2 . . . A 252 VAL CG1 . 18566 1 320 . 1 1 31 31 VAL CG2 C 13 20.478 0.3 . 2 . . . A 252 VAL CG2 . 18566 1 321 . 1 1 31 31 VAL N N 15 120.065 0.13 . 1 . . . A 252 VAL N . 18566 1 322 . 1 1 32 32 ASP H H 1 8.328 0.05 . 1 . . . A 253 ASP H . 18566 1 323 . 1 1 32 32 ASP HA H 1 4.601 0.05 . 1 . . . A 253 ASP HA . 18566 1 324 . 1 1 32 32 ASP HB2 H 1 2.595 0.05 . 2 . . . A 253 ASP HB2 . 18566 1 325 . 1 1 32 32 ASP HB3 H 1 2.881 0.05 . 2 . . . A 253 ASP HB3 . 18566 1 326 . 1 1 32 32 ASP C C 13 176.312 0.3 . 1 . . . A 253 ASP C . 18566 1 327 . 1 1 32 32 ASP CA C 13 54.075 0.3 . 1 . . . A 253 ASP CA . 18566 1 328 . 1 1 32 32 ASP CB C 13 41.822 0.3 . 1 . . . A 253 ASP CB . 18566 1 329 . 1 1 32 32 ASP N N 15 123.567 0.13 . 1 . . . A 253 ASP N . 18566 1 330 . 1 1 33 33 ASN H H 1 8.619 0.05 . 1 . . . A 254 ASN H . 18566 1 331 . 1 1 33 33 ASN HA H 1 4.658 0.05 . 1 . . . A 254 ASN HA . 18566 1 332 . 1 1 33 33 ASN C C 13 175.535 0.3 . 1 . . . A 254 ASN C . 18566 1 333 . 1 1 33 33 ASN CA C 13 53.495 0.3 . 1 . . . A 254 ASN CA . 18566 1 334 . 1 1 33 33 ASN CB C 13 39.43 0.3 . 1 . . . A 254 ASN CB . 18566 1 335 . 1 1 33 33 ASN N N 15 122.169 0.13 . 1 . . . A 254 ASN N . 18566 1 336 . 1 1 34 34 ARG H H 1 8.127 0.05 . 1 . . . A 255 ARG H . 18566 1 337 . 1 1 34 34 ARG HA H 1 4.012 0.05 . 1 . . . A 255 ARG HA . 18566 1 338 . 1 1 34 34 ARG HB2 H 1 1.096 0.05 . 2 . . . A 255 ARG HB2 . 18566 1 339 . 1 1 34 34 ARG HB3 H 1 1.121 0.05 . 2 . . . A 255 ARG HB3 . 18566 1 340 . 1 1 34 34 ARG HG2 H 1 1.412 0.05 . 2 . . . A 255 ARG HG2 . 18566 1 341 . 1 1 34 34 ARG HG3 H 1 1.527 0.05 . 2 . . . A 255 ARG HG3 . 18566 1 342 . 1 1 34 34 ARG HD2 H 1 3.143 0.05 . 2 . . . A 255 ARG HD2 . 18566 1 343 . 1 1 34 34 ARG HD3 H 1 2.894 0.05 . 2 . . . A 255 ARG HD3 . 18566 1 344 . 1 1 34 34 ARG C C 13 176.123 0.3 . 1 . . . A 255 ARG C . 18566 1 345 . 1 1 34 34 ARG CA C 13 58.476 0.3 . 1 . . . A 255 ARG CA . 18566 1 346 . 1 1 34 34 ARG CB C 13 30.84 0.3 . 1 . . . A 255 ARG CB . 18566 1 347 . 1 1 34 34 ARG CG C 13 26.84 0.3 . 1 . . . A 255 ARG CG . 18566 1 348 . 1 1 34 34 ARG CD C 13 43.579 0.3 . 1 . . . A 255 ARG CD . 18566 1 349 . 1 1 34 34 ARG N N 15 118.426 0.13 . 1 . . . A 255 ARG N . 18566 1 350 . 1 1 35 35 PHE H H 1 7.72 0.05 . 1 . . . A 256 PHE H . 18566 1 351 . 1 1 35 35 PHE HA H 1 5.738 0.05 . 1 . . . A 256 PHE HA . 18566 1 352 . 1 1 35 35 PHE HB2 H 1 2.818 0.05 . 1 . . . A 256 PHE HB2 . 18566 1 353 . 1 1 35 35 PHE HB3 H 1 3.199 0.05 . 1 . . . A 256 PHE HB3 . 18566 1 354 . 1 1 35 35 PHE HD1 H 1 7.097 0.05 . 3 . . . A 256 PHE HD1 . 18566 1 355 . 1 1 35 35 PHE HD2 H 1 7.097 0.05 . 3 . . . A 256 PHE HD2 . 18566 1 356 . 1 1 35 35 PHE HE1 H 1 7.228 0.05 . 3 . . . A 256 PHE HE1 . 18566 1 357 . 1 1 35 35 PHE HE2 H 1 7.228 0.05 . 3 . . . A 256 PHE HE2 . 18566 1 358 . 1 1 35 35 PHE C C 13 174.765 0.3 . 1 . . . A 256 PHE C . 18566 1 359 . 1 1 35 35 PHE CA C 13 55.373 0.3 . 1 . . . A 256 PHE CA . 18566 1 360 . 1 1 35 35 PHE CB C 13 42.483 0.3 . 1 . . . A 256 PHE CB . 18566 1 361 . 1 1 35 35 PHE CD1 C 13 131.173 0.3 . 3 . . . A 256 PHE CD1 . 18566 1 362 . 1 1 35 35 PHE CD2 C 13 131.173 0.3 . 3 . . . A 256 PHE CD2 . 18566 1 363 . 1 1 35 35 PHE CE1 C 13 131.576 0.3 . 3 . . . A 256 PHE CE1 . 18566 1 364 . 1 1 35 35 PHE CE2 C 13 131.576 0.3 . 3 . . . A 256 PHE CE2 . 18566 1 365 . 1 1 35 35 PHE N N 15 116.288 0.13 . 1 . . . A 256 PHE N . 18566 1 366 . 1 1 36 36 ALA H H 1 8.553 0.05 . 1 . . . A 257 ALA H . 18566 1 367 . 1 1 36 36 ALA HA H 1 4.514 0.05 . 1 . . . A 257 ALA HA . 18566 1 368 . 1 1 36 36 ALA HB1 H 1 0.408 0.05 . 1 . . . A 257 ALA HB1 . 18566 1 369 . 1 1 36 36 ALA HB2 H 1 0.408 0.05 . 1 . . . A 257 ALA HB2 . 18566 1 370 . 1 1 36 36 ALA HB3 H 1 0.408 0.05 . 1 . . . A 257 ALA HB3 . 18566 1 371 . 1 1 36 36 ALA C C 13 175.472 0.3 . 1 . . . A 257 ALA C . 18566 1 372 . 1 1 36 36 ALA CA C 13 50.697 0.3 . 1 . . . A 257 ALA CA . 18566 1 373 . 1 1 36 36 ALA CB C 13 22.354 0.3 . 1 . . . A 257 ALA CB . 18566 1 374 . 1 1 36 36 ALA N N 15 121.623 0.13 . 1 . . . A 257 ALA N . 18566 1 375 . 1 1 37 37 THR H H 1 8.64 0.05 . 1 . . . A 258 THR H . 18566 1 376 . 1 1 37 37 THR HA H 1 5.089 0.05 . 1 . . . A 258 THR HA . 18566 1 377 . 1 1 37 37 THR HB H 1 4.103 0.05 . 1 . . . A 258 THR HB . 18566 1 378 . 1 1 37 37 THR HG21 H 1 1.142 0.05 . 1 . . . A 258 THR HG21 . 18566 1 379 . 1 1 37 37 THR HG22 H 1 1.142 0.05 . 1 . . . A 258 THR HG22 . 18566 1 380 . 1 1 37 37 THR HG23 H 1 1.142 0.05 . 1 . . . A 258 THR HG23 . 18566 1 381 . 1 1 37 37 THR C C 13 173.426 0.3 . 1 . . . A 258 THR C . 18566 1 382 . 1 1 37 37 THR CA C 13 62.615 0.3 . 1 . . . A 258 THR CA . 18566 1 383 . 1 1 37 37 THR CB C 13 68.686 0.3 . 1 . . . A 258 THR CB . 18566 1 384 . 1 1 37 37 THR CG2 C 13 21.508 0.3 . 1 . . . A 258 THR CG2 . 18566 1 385 . 1 1 37 37 THR N N 15 119.506 0.13 . 1 . . . A 258 THR N . 18566 1 386 . 1 1 38 38 VAL H H 1 9.255 0.05 . 1 . . . A 259 VAL H . 18566 1 387 . 1 1 38 38 VAL HA H 1 4.666 0.05 . 1 . . . A 259 VAL HA . 18566 1 388 . 1 1 38 38 VAL HB H 1 1.844 0.05 . 1 . . . A 259 VAL HB . 18566 1 389 . 1 1 38 38 VAL HG11 H 1 0.814 0.05 . 2 . . . A 259 VAL HG11 . 18566 1 390 . 1 1 38 38 VAL HG12 H 1 0.814 0.05 . 2 . . . A 259 VAL HG12 . 18566 1 391 . 1 1 38 38 VAL HG13 H 1 0.814 0.05 . 2 . . . A 259 VAL HG13 . 18566 1 392 . 1 1 38 38 VAL HG21 H 1 0.77 0.05 . 2 . . . A 259 VAL HG21 . 18566 1 393 . 1 1 38 38 VAL HG22 H 1 0.77 0.05 . 2 . . . A 259 VAL HG22 . 18566 1 394 . 1 1 38 38 VAL HG23 H 1 0.77 0.05 . 2 . . . A 259 VAL HG23 . 18566 1 395 . 1 1 38 38 VAL C C 13 174.966 0.3 . 1 . . . A 259 VAL C . 18566 1 396 . 1 1 38 38 VAL CA C 13 60.406 0.3 . 1 . . . A 259 VAL CA . 18566 1 397 . 1 1 38 38 VAL CB C 13 35.016 0.3 . 1 . . . A 259 VAL CB . 18566 1 398 . 1 1 38 38 VAL CG1 C 13 22.181 0.3 . 2 . . . A 259 VAL CG1 . 18566 1 399 . 1 1 38 38 VAL CG2 C 13 21.249 0.3 . 2 . . . A 259 VAL CG2 . 18566 1 400 . 1 1 38 38 VAL N N 15 126.665 0.13 . 1 . . . A 259 VAL N . 18566 1 401 . 1 1 39 39 THR H H 1 9.83 0.05 . 1 . . . A 260 THR H . 18566 1 402 . 1 1 39 39 THR HA H 1 4.792 0.05 . 1 . . . A 260 THR HA . 18566 1 403 . 1 1 39 39 THR HB H 1 4.2 0.05 . 1 . . . A 260 THR HB . 18566 1 404 . 1 1 39 39 THR HG21 H 1 1.052 0.05 . 1 . . . A 260 THR HG21 . 18566 1 405 . 1 1 39 39 THR HG22 H 1 1.052 0.05 . 1 . . . A 260 THR HG22 . 18566 1 406 . 1 1 39 39 THR HG23 H 1 1.052 0.05 . 1 . . . A 260 THR HG23 . 18566 1 407 . 1 1 39 39 THR C C 13 174.43 0.3 . 1 . . . A 260 THR C . 18566 1 408 . 1 1 39 39 THR CA C 13 62.091 0.3 . 1 . . . A 260 THR CA . 18566 1 409 . 1 1 39 39 THR CB C 13 68.427 0.3 . 1 . . . A 260 THR CB . 18566 1 410 . 1 1 39 39 THR CG2 C 13 22.097 0.3 . 1 . . . A 260 THR CG2 . 18566 1 411 . 1 1 39 39 THR N N 15 124.026 0.13 . 1 . . . A 260 THR N . 18566 1 412 . 1 1 40 40 LEU H H 1 9.117 0.05 . 1 . . . A 261 LEU H . 18566 1 413 . 1 1 40 40 LEU HA H 1 5.025 0.05 . 1 . . . A 261 LEU HA . 18566 1 414 . 1 1 40 40 LEU HB2 H 1 1.59 0.05 . 2 . . . A 261 LEU HB2 . 18566 1 415 . 1 1 40 40 LEU HB3 H 1 1.333 0.05 . 2 . . . A 261 LEU HB3 . 18566 1 416 . 1 1 40 40 LEU HG H 1 1.575 0.05 . 1 . . . A 261 LEU HG . 18566 1 417 . 1 1 40 40 LEU HD11 H 1 0.944 0.05 . 2 . . . A 261 LEU HD11 . 18566 1 418 . 1 1 40 40 LEU HD12 H 1 0.944 0.05 . 2 . . . A 261 LEU HD12 . 18566 1 419 . 1 1 40 40 LEU HD13 H 1 0.944 0.05 . 2 . . . A 261 LEU HD13 . 18566 1 420 . 1 1 40 40 LEU HD21 H 1 0.814 0.05 . 2 . . . A 261 LEU HD21 . 18566 1 421 . 1 1 40 40 LEU HD22 H 1 0.814 0.05 . 2 . . . A 261 LEU HD22 . 18566 1 422 . 1 1 40 40 LEU HD23 H 1 0.814 0.05 . 2 . . . A 261 LEU HD23 . 18566 1 423 . 1 1 40 40 LEU C C 13 176.533 0.3 . 1 . . . A 261 LEU C . 18566 1 424 . 1 1 40 40 LEU CA C 13 52.606 0.3 . 1 . . . A 261 LEU CA . 18566 1 425 . 1 1 40 40 LEU CB C 13 46.748 0.3 . 1 . . . A 261 LEU CB . 18566 1 426 . 1 1 40 40 LEU CG C 13 27.005 0.3 . 1 . . . A 261 LEU CG . 18566 1 427 . 1 1 40 40 LEU CD1 C 13 25.032 0.3 . 2 . . . A 261 LEU CD1 . 18566 1 428 . 1 1 40 40 LEU CD2 C 13 27.151 0.3 . 2 . . . A 261 LEU CD2 . 18566 1 429 . 1 1 40 40 LEU N N 15 127.381 0.13 . 1 . . . A 261 LEU N . 18566 1 430 . 1 1 41 41 SER H H 1 9.422 0.05 . 1 . . . A 262 SER H . 18566 1 431 . 1 1 41 41 SER HA H 1 3.904 0.05 . 1 . . . A 262 SER HA . 18566 1 432 . 1 1 41 41 SER HB2 H 1 4.008 0.05 . 2 . . . A 262 SER HB2 . 18566 1 433 . 1 1 41 41 SER HB3 H 1 4.015 0.05 . 2 . . . A 262 SER HB3 . 18566 1 434 . 1 1 41 41 SER C C 13 174.76 0.3 . 1 . . . A 262 SER C . 18566 1 435 . 1 1 41 41 SER CA C 13 60.944 0.3 . 1 . . . A 262 SER CA . 18566 1 436 . 1 1 41 41 SER CB C 13 62.013 0.3 . 1 . . . A 262 SER CB . 18566 1 437 . 1 1 41 41 SER N N 15 115.831 0.13 . 1 . . . A 262 SER N . 18566 1 438 . 1 1 42 42 ALA H H 1 7.409 0.05 . 1 . . . A 263 ALA H . 18566 1 439 . 1 1 42 42 ALA HA H 1 4.829 0.05 . 1 . . . A 263 ALA HA . 18566 1 440 . 1 1 42 42 ALA HB1 H 1 1.581 0.05 . 1 . . . A 263 ALA HB1 . 18566 1 441 . 1 1 42 42 ALA HB2 H 1 1.581 0.05 . 1 . . . A 263 ALA HB2 . 18566 1 442 . 1 1 42 42 ALA HB3 H 1 1.581 0.05 . 1 . . . A 263 ALA HB3 . 18566 1 443 . 1 1 42 42 ALA C C 13 176.12 0.3 . 1 . . . A 263 ALA C . 18566 1 444 . 1 1 42 42 ALA CA C 13 52.12 0.3 . 1 . . . A 263 ALA CA . 18566 1 445 . 1 1 42 42 ALA CB C 13 22.493 0.3 . 1 . . . A 263 ALA CB . 18566 1 446 . 1 1 42 42 ALA N N 15 119.814 0.13 . 1 . . . A 263 ALA N . 18566 1 447 . 1 1 43 43 THR H H 1 7.568 0.05 . 1 . . . A 264 THR H . 18566 1 448 . 1 1 43 43 THR HA H 1 4.547 0.05 . 1 . . . A 264 THR HA . 18566 1 449 . 1 1 43 43 THR HB H 1 4.55 0.05 . 1 . . . A 264 THR HB . 18566 1 450 . 1 1 43 43 THR HG21 H 1 0.937 0.05 . 1 . . . A 264 THR HG21 . 18566 1 451 . 1 1 43 43 THR HG22 H 1 0.937 0.05 . 1 . . . A 264 THR HG22 . 18566 1 452 . 1 1 43 43 THR HG23 H 1 0.937 0.05 . 1 . . . A 264 THR HG23 . 18566 1 453 . 1 1 43 43 THR C C 13 174.196 0.3 . 1 . . . A 264 THR C . 18566 1 454 . 1 1 43 43 THR CA C 13 59.381 0.3 . 1 . . . A 264 THR CA . 18566 1 455 . 1 1 43 43 THR CB C 13 68.975 0.3 . 1 . . . A 264 THR CB . 18566 1 456 . 1 1 43 43 THR CG2 C 13 21.032 0.3 . 1 . . . A 264 THR CG2 . 18566 1 457 . 1 1 43 43 THR N N 15 102.837 0.13 . 1 . . . A 264 THR N . 18566 1 458 . 1 1 44 44 THR H H 1 7.271 0.05 . 1 . . . A 265 THR H . 18566 1 459 . 1 1 44 44 THR HA H 1 3.853 0.05 . 1 . . . A 265 THR HA . 18566 1 460 . 1 1 44 44 THR HB H 1 3.909 0.05 . 1 . . . A 265 THR HB . 18566 1 461 . 1 1 44 44 THR HG21 H 1 1.25 0.05 . 1 . . . A 265 THR HG21 . 18566 1 462 . 1 1 44 44 THR HG22 H 1 1.25 0.05 . 1 . . . A 265 THR HG22 . 18566 1 463 . 1 1 44 44 THR HG23 H 1 1.25 0.05 . 1 . . . A 265 THR HG23 . 18566 1 464 . 1 1 44 44 THR C C 13 174.384 0.3 . 1 . . . A 265 THR C . 18566 1 465 . 1 1 44 44 THR CA C 13 63.749 0.3 . 1 . . . A 265 THR CA . 18566 1 466 . 1 1 44 44 THR CB C 13 69.453 0.3 . 1 . . . A 265 THR CB . 18566 1 467 . 1 1 44 44 THR CG2 C 13 21.43 0.3 . 1 . . . A 265 THR CG2 . 18566 1 468 . 1 1 44 44 THR N N 15 116.428 0.13 . 1 . . . A 265 THR N . 18566 1 469 . 1 1 45 45 GLY H H 1 8.783 0.05 . 1 . . . A 266 GLY H . 18566 1 470 . 1 1 45 45 GLY HA2 H 1 4.152 0.05 . 2 . . . A 266 GLY HA2 . 18566 1 471 . 1 1 45 45 GLY HA3 H 1 3.683 0.05 . 2 . . . A 266 GLY HA3 . 18566 1 472 . 1 1 45 45 GLY C C 13 174.081 0.3 . 1 . . . A 266 GLY C . 18566 1 473 . 1 1 45 45 GLY CA C 13 45.347 0.3 . 1 . . . A 266 GLY CA . 18566 1 474 . 1 1 45 45 GLY N N 15 113.827 0.13 . 1 . . . A 266 GLY N . 18566 1 475 . 1 1 46 46 MET H H 1 7.901 0.05 . 1 . . . A 267 MET H . 18566 1 476 . 1 1 46 46 MET HA H 1 4.68 0.05 . 1 . . . A 267 MET HA . 18566 1 477 . 1 1 46 46 MET HB2 H 1 2.035 0.05 . 2 . . . A 267 MET HB2 . 18566 1 478 . 1 1 46 46 MET HB3 H 1 1.744 0.05 . 2 . . . A 267 MET HB3 . 18566 1 479 . 1 1 46 46 MET HG2 H 1 2.305 0.05 . 2 . . . A 267 MET HG2 . 18566 1 480 . 1 1 46 46 MET HG3 H 1 2.299 0.05 . 2 . . . A 267 MET HG3 . 18566 1 481 . 1 1 46 46 MET C C 13 174.969 0.3 . 1 . . . A 267 MET C . 18566 1 482 . 1 1 46 46 MET CA C 13 55.931 0.3 . 1 . . . A 267 MET CA . 18566 1 483 . 1 1 46 46 MET CB C 13 35.58 0.3 . 1 . . . A 267 MET CB . 18566 1 484 . 1 1 46 46 MET CG C 13 33.398 0.3 . 1 . . . A 267 MET CG . 18566 1 485 . 1 1 46 46 MET N N 15 118.601 0.13 . 1 . . . A 267 MET N . 18566 1 486 . 1 1 47 47 LYS H H 1 9.029 0.05 . 1 . . . A 268 LYS H . 18566 1 487 . 1 1 47 47 LYS HA H 1 4.57 0.05 . 1 . . . A 268 LYS HA . 18566 1 488 . 1 1 47 47 LYS HB2 H 1 1.739 0.05 . 2 . . . A 268 LYS HB2 . 18566 1 489 . 1 1 47 47 LYS HB3 H 1 1.81 0.05 . 2 . . . A 268 LYS HB3 . 18566 1 490 . 1 1 47 47 LYS HG2 H 1 1.192 0.05 . 2 . . . A 268 LYS HG2 . 18566 1 491 . 1 1 47 47 LYS HG3 H 1 1.574 0.05 . 2 . . . A 268 LYS HG3 . 18566 1 492 . 1 1 47 47 LYS HD2 H 1 1.627 0.05 . 2 . . . A 268 LYS HD2 . 18566 1 493 . 1 1 47 47 LYS HD3 H 1 1.673 0.05 . 2 . . . A 268 LYS HD3 . 18566 1 494 . 1 1 47 47 LYS HE2 H 1 3.015 0.05 . 2 . . . A 268 LYS HE2 . 18566 1 495 . 1 1 47 47 LYS HE3 H 1 3.047 0.05 . 2 . . . A 268 LYS HE3 . 18566 1 496 . 1 1 47 47 LYS C C 13 174.74 0.3 . 1 . . . A 268 LYS C . 18566 1 497 . 1 1 47 47 LYS CA C 13 54.55 0.3 . 1 . . . A 268 LYS CA . 18566 1 498 . 1 1 47 47 LYS CB C 13 36.136 0.3 . 1 . . . A 268 LYS CB . 18566 1 499 . 1 1 47 47 LYS CG C 13 23.006 0.3 . 1 . . . A 268 LYS CG . 18566 1 500 . 1 1 47 47 LYS CD C 13 29.039 0.3 . 1 . . . A 268 LYS CD . 18566 1 501 . 1 1 47 47 LYS CE C 13 42.11 0.3 . 1 . . . A 268 LYS CE . 18566 1 502 . 1 1 47 47 LYS N N 15 120.243 0.13 . 1 . . . A 268 LYS N . 18566 1 503 . 1 1 48 48 ARG H H 1 8.368 0.05 . 1 . . . A 269 ARG H . 18566 1 504 . 1 1 48 48 ARG HA H 1 3.701 0.05 . 1 . . . A 269 ARG HA . 18566 1 505 . 1 1 48 48 ARG HB2 H 1 1.72 0.05 . 2 . . . A 269 ARG HB2 . 18566 1 506 . 1 1 48 48 ARG HB3 H 1 1.785 0.05 . 2 . . . A 269 ARG HB3 . 18566 1 507 . 1 1 48 48 ARG HG2 H 1 1.861 0.05 . 2 . . . A 269 ARG HG2 . 18566 1 508 . 1 1 48 48 ARG HG3 H 1 1.507 0.05 . 2 . . . A 269 ARG HG3 . 18566 1 509 . 1 1 48 48 ARG HD2 H 1 3.254 0.05 . 2 . . . A 269 ARG HD2 . 18566 1 510 . 1 1 48 48 ARG HD3 H 1 3.371 0.05 . 2 . . . A 269 ARG HD3 . 18566 1 511 . 1 1 48 48 ARG C C 13 176.742 0.3 . 1 . . . A 269 ARG C . 18566 1 512 . 1 1 48 48 ARG CA C 13 58.027 0.3 . 1 . . . A 269 ARG CA . 18566 1 513 . 1 1 48 48 ARG CB C 13 29.959 0.3 . 1 . . . A 269 ARG CB . 18566 1 514 . 1 1 48 48 ARG CG C 13 27.073 0.3 . 1 . . . A 269 ARG CG . 18566 1 515 . 1 1 48 48 ARG CD C 13 43.786 0.3 . 1 . . . A 269 ARG CD . 18566 1 516 . 1 1 48 48 ARG N N 15 119.826 0.13 . 1 . . . A 269 ARG N . 18566 1 517 . 1 1 49 49 GLY HA2 H 1 4.536 0.05 . 2 . . . A 270 GLY HA2 . 18566 1 518 . 1 1 49 49 GLY HA3 H 1 3.657 0.05 . 2 . . . A 270 GLY HA3 . 18566 1 519 . 1 1 49 49 GLY C C 13 174.915 0.3 . 1 . . . A 270 GLY C . 18566 1 520 . 1 1 49 49 GLY CA C 13 44.878 0.3 . 1 . . . A 270 GLY CA . 18566 1 521 . 1 1 50 50 ASP H H 1 8.045 0.05 . 1 . . . A 271 ASP H . 18566 1 522 . 1 1 50 50 ASP HA H 1 4.701 0.05 . 1 . . . A 271 ASP HA . 18566 1 523 . 1 1 50 50 ASP HB2 H 1 2.554 0.05 . 2 . . . A 271 ASP HB2 . 18566 1 524 . 1 1 50 50 ASP HB3 H 1 2.755 0.05 . 2 . . . A 271 ASP HB3 . 18566 1 525 . 1 1 50 50 ASP C C 13 174.63 0.3 . 1 . . . A 271 ASP C . 18566 1 526 . 1 1 50 50 ASP CA C 13 55.878 0.3 . 1 . . . A 271 ASP CA . 18566 1 527 . 1 1 50 50 ASP CB C 13 41.482 0.3 . 1 . . . A 271 ASP CB . 18566 1 528 . 1 1 50 50 ASP N N 15 121.824 0.13 . 1 . . . A 271 ASP N . 18566 1 529 . 1 1 51 51 LYS H H 1 8.583 0.05 . 1 . . . A 272 LYS H . 18566 1 530 . 1 1 51 51 LYS HA H 1 5.427 0.05 . 1 . . . A 272 LYS HA . 18566 1 531 . 1 1 51 51 LYS HB2 H 1 1.632 0.05 . 1 . . . A 272 LYS HB2 . 18566 1 532 . 1 1 51 51 LYS HB3 H 1 1.853 0.05 . 1 . . . A 272 LYS HB3 . 18566 1 533 . 1 1 51 51 LYS HG2 H 1 1.603 0.05 . 2 . . . A 272 LYS HG2 . 18566 1 534 . 1 1 51 51 LYS HG3 H 1 1.471 0.05 . 2 . . . A 272 LYS HG3 . 18566 1 535 . 1 1 51 51 LYS HD2 H 1 1.69 0.05 . 2 . . . A 272 LYS HD2 . 18566 1 536 . 1 1 51 51 LYS HD3 H 1 1.622 0.05 . 2 . . . A 272 LYS HD3 . 18566 1 537 . 1 1 51 51 LYS HE2 H 1 2.999 0.05 . 2 . . . A 272 LYS HE2 . 18566 1 538 . 1 1 51 51 LYS HE3 H 1 2.998 0.05 . 2 . . . A 272 LYS HE3 . 18566 1 539 . 1 1 51 51 LYS C C 13 175.557 0.3 . 1 . . . A 272 LYS C . 18566 1 540 . 1 1 51 51 LYS CA C 13 54.372 0.3 . 1 . . . A 272 LYS CA . 18566 1 541 . 1 1 51 51 LYS CB C 13 34.694 0.3 . 1 . . . A 272 LYS CB . 18566 1 542 . 1 1 51 51 LYS CG C 13 25.339 0.3 . 1 . . . A 272 LYS CG . 18566 1 543 . 1 1 51 51 LYS CD C 13 29.072 0.3 . 1 . . . A 272 LYS CD . 18566 1 544 . 1 1 51 51 LYS CE C 13 42.284 0.3 . 1 . . . A 272 LYS CE . 18566 1 545 . 1 1 51 51 LYS N N 15 119.522 0.13 . 1 . . . A 272 LYS N . 18566 1 546 . 1 1 52 52 ILE H H 1 9.103 0.05 . 1 . . . A 273 ILE H . 18566 1 547 . 1 1 52 52 ILE HA H 1 5.514 0.05 . 1 . . . A 273 ILE HA . 18566 1 548 . 1 1 52 52 ILE HB H 1 1.514 0.05 . 1 . . . A 273 ILE HB . 18566 1 549 . 1 1 52 52 ILE HG12 H 1 0.72 0.05 . 2 . . . A 273 ILE HG12 . 18566 1 550 . 1 1 52 52 ILE HG13 H 1 1.055 0.05 . 2 . . . A 273 ILE HG13 . 18566 1 551 . 1 1 52 52 ILE HG21 H 1 0.71 0.05 . 1 . . . A 273 ILE HG21 . 18566 1 552 . 1 1 52 52 ILE HG22 H 1 0.71 0.05 . 1 . . . A 273 ILE HG22 . 18566 1 553 . 1 1 52 52 ILE HG23 H 1 0.71 0.05 . 1 . . . A 273 ILE HG23 . 18566 1 554 . 1 1 52 52 ILE HD11 H 1 0.484 0.05 . 1 . . . A 273 ILE HD11 . 18566 1 555 . 1 1 52 52 ILE HD12 H 1 0.484 0.05 . 1 . . . A 273 ILE HD12 . 18566 1 556 . 1 1 52 52 ILE HD13 H 1 0.484 0.05 . 1 . . . A 273 ILE HD13 . 18566 1 557 . 1 1 52 52 ILE C C 13 173.541 0.3 . 1 . . . A 273 ILE C . 18566 1 558 . 1 1 52 52 ILE CA C 13 58.337 0.3 . 1 . . . A 273 ILE CA . 18566 1 559 . 1 1 52 52 ILE CB C 13 42.639 0.3 . 1 . . . A 273 ILE CB . 18566 1 560 . 1 1 52 52 ILE CG1 C 13 25.222 0.3 . 1 . . . A 273 ILE CG1 . 18566 1 561 . 1 1 52 52 ILE CG2 C 13 17.631 0.3 . 1 . . . A 273 ILE CG2 . 18566 1 562 . 1 1 52 52 ILE CD1 C 13 14.146 0.3 . 1 . . . A 273 ILE CD1 . 18566 1 563 . 1 1 52 52 ILE N N 15 115.791 0.13 . 1 . . . A 273 ILE N . 18566 1 564 . 1 1 53 53 SER H H 1 8.542 0.05 . 1 . . . A 274 SER H . 18566 1 565 . 1 1 53 53 SER HA H 1 4.909 0.05 . 1 . . . A 274 SER HA . 18566 1 566 . 1 1 53 53 SER HB2 H 1 3.817 0.05 . 2 . . . A 274 SER HB2 . 18566 1 567 . 1 1 53 53 SER HB3 H 1 3.698 0.05 . 2 . . . A 274 SER HB3 . 18566 1 568 . 1 1 53 53 SER C C 13 171.051 0.3 . 1 . . . A 274 SER C . 18566 1 569 . 1 1 53 53 SER CA C 13 56.405 0.3 . 1 . . . A 274 SER CA . 18566 1 570 . 1 1 53 53 SER CB C 13 67.739 0.3 . 1 . . . A 274 SER CB . 18566 1 571 . 1 1 53 53 SER N N 15 114.965 0.13 . 1 . . . A 274 SER N . 18566 1 572 . 1 1 54 54 PHE H H 1 10.284 0.05 . 1 . . . A 275 PHE H . 18566 1 573 . 1 1 54 54 PHE HA H 1 5.097 0.05 . 1 . . . A 275 PHE HA . 18566 1 574 . 1 1 54 54 PHE HB2 H 1 2.784 0.05 . 2 . . . A 275 PHE HB2 . 18566 1 575 . 1 1 54 54 PHE HB3 H 1 3.152 0.05 . 2 . . . A 275 PHE HB3 . 18566 1 576 . 1 1 54 54 PHE HD1 H 1 6.979 0.05 . 3 . . . A 275 PHE HD1 . 18566 1 577 . 1 1 54 54 PHE HD2 H 1 6.979 0.05 . 3 . . . A 275 PHE HD2 . 18566 1 578 . 1 1 54 54 PHE HE1 H 1 6.453 0.05 . 3 . . . A 275 PHE HE1 . 18566 1 579 . 1 1 54 54 PHE HE2 H 1 6.453 0.05 . 3 . . . A 275 PHE HE2 . 18566 1 580 . 1 1 54 54 PHE HZ H 1 6.618 0.05 . 1 . . . A 275 PHE HZ . 18566 1 581 . 1 1 54 54 PHE C C 13 175.897 0.3 . 1 . . . A 275 PHE C . 18566 1 582 . 1 1 54 54 PHE CA C 13 55.902 0.3 . 1 . . . A 275 PHE CA . 18566 1 583 . 1 1 54 54 PHE CB C 13 40.884 0.3 . 1 . . . A 275 PHE CB . 18566 1 584 . 1 1 54 54 PHE CD1 C 13 130.514 0.3 . 3 . . . A 275 PHE CD1 . 18566 1 585 . 1 1 54 54 PHE CD2 C 13 130.514 0.3 . 3 . . . A 275 PHE CD2 . 18566 1 586 . 1 1 54 54 PHE CE1 C 13 126.974 0.3 . 3 . . . A 275 PHE CE1 . 18566 1 587 . 1 1 54 54 PHE CE2 C 13 126.974 0.3 . 3 . . . A 275 PHE CE2 . 18566 1 588 . 1 1 54 54 PHE CZ C 13 127.207 0.3 . 1 . . . A 275 PHE CZ . 18566 1 589 . 1 1 54 54 PHE N N 15 123.139 0.13 . 1 . . . A 275 PHE N . 18566 1 590 . 1 1 55 55 ALA H H 1 8.284 0.05 . 1 . . . A 276 ALA H . 18566 1 591 . 1 1 55 55 ALA HA H 1 4.258 0.05 . 1 . . . A 276 ALA HA . 18566 1 592 . 1 1 55 55 ALA HB1 H 1 1.474 0.05 . 1 . . . A 276 ALA HB1 . 18566 1 593 . 1 1 55 55 ALA HB2 H 1 1.474 0.05 . 1 . . . A 276 ALA HB2 . 18566 1 594 . 1 1 55 55 ALA HB3 H 1 1.474 0.05 . 1 . . . A 276 ALA HB3 . 18566 1 595 . 1 1 55 55 ALA C C 13 177.864 0.3 . 1 . . . A 276 ALA C . 18566 1 596 . 1 1 55 55 ALA CA C 13 54.015 0.3 . 1 . . . A 276 ALA CA . 18566 1 597 . 1 1 55 55 ALA CB C 13 19.125 0.3 . 1 . . . A 276 ALA CB . 18566 1 598 . 1 1 55 55 ALA N N 15 125.203 0.13 . 1 . . . A 276 ALA N . 18566 1 599 . 1 1 56 56 GLY H H 1 8.656 0.05 . 1 . . . A 277 GLY H . 18566 1 600 . 1 1 56 56 GLY HA2 H 1 3.587 0.05 . 2 . . . A 277 GLY HA2 . 18566 1 601 . 1 1 56 56 GLY HA3 H 1 4.381 0.05 . 2 . . . A 277 GLY HA3 . 18566 1 602 . 1 1 56 56 GLY C C 13 174.347 0.3 . 1 . . . A 277 GLY C . 18566 1 603 . 1 1 56 56 GLY CA C 13 45.319 0.3 . 1 . . . A 277 GLY CA . 18566 1 604 . 1 1 56 56 GLY N N 15 112.223 0.13 . 1 . . . A 277 GLY N . 18566 1 605 . 1 1 57 57 VAL H H 1 8.313 0.05 . 1 . . . A 278 VAL H . 18566 1 606 . 1 1 57 57 VAL HA H 1 4.569 0.05 . 1 . . . A 278 VAL HA . 18566 1 607 . 1 1 57 57 VAL HB H 1 2.486 0.05 . 1 . . . A 278 VAL HB . 18566 1 608 . 1 1 57 57 VAL HG11 H 1 1.073 0.05 . 2 . . . A 278 VAL HG11 . 18566 1 609 . 1 1 57 57 VAL HG12 H 1 1.073 0.05 . 2 . . . A 278 VAL HG12 . 18566 1 610 . 1 1 57 57 VAL HG13 H 1 1.073 0.05 . 2 . . . A 278 VAL HG13 . 18566 1 611 . 1 1 57 57 VAL HG21 H 1 0.766 0.05 . 2 . . . A 278 VAL HG21 . 18566 1 612 . 1 1 57 57 VAL HG22 H 1 0.766 0.05 . 2 . . . A 278 VAL HG22 . 18566 1 613 . 1 1 57 57 VAL HG23 H 1 0.766 0.05 . 2 . . . A 278 VAL HG23 . 18566 1 614 . 1 1 57 57 VAL C C 13 175.283 0.3 . 1 . . . A 278 VAL C . 18566 1 615 . 1 1 57 57 VAL CA C 13 62.797 0.3 . 1 . . . A 278 VAL CA . 18566 1 616 . 1 1 57 57 VAL CB C 13 31.196 0.3 . 1 . . . A 278 VAL CB . 18566 1 617 . 1 1 57 57 VAL CG1 C 13 20.362 0.3 . 2 . . . A 278 VAL CG1 . 18566 1 618 . 1 1 57 57 VAL CG2 C 13 21.574 0.3 . 2 . . . A 278 VAL CG2 . 18566 1 619 . 1 1 57 57 VAL N N 15 123.958 0.13 . 1 . . . A 278 VAL N . 18566 1 620 . 1 1 58 58 LYS H H 1 9.196 0.05 . 1 . . . A 279 LYS H . 18566 1 621 . 1 1 58 58 LYS HA H 1 4.522 0.05 . 1 . . . A 279 LYS HA . 18566 1 622 . 1 1 58 58 LYS HB2 H 1 1.843 0.05 . 1 . . . A 279 LYS HB2 . 18566 1 623 . 1 1 58 58 LYS HB3 H 1 1.617 0.05 . 1 . . . A 279 LYS HB3 . 18566 1 624 . 1 1 58 58 LYS HG2 H 1 1.319 0.05 . 2 . . . A 279 LYS HG2 . 18566 1 625 . 1 1 58 58 LYS HG3 H 1 1.482 0.05 . 2 . . . A 279 LYS HG3 . 18566 1 626 . 1 1 58 58 LYS HD2 H 1 1.587 0.05 . 2 . . . A 279 LYS HD2 . 18566 1 627 . 1 1 58 58 LYS HD3 H 1 1.464 0.05 . 2 . . . A 279 LYS HD3 . 18566 1 628 . 1 1 58 58 LYS HE2 H 1 2.822 0.05 . 2 . . . A 279 LYS HE2 . 18566 1 629 . 1 1 58 58 LYS HE3 H 1 3.008 0.05 . 2 . . . A 279 LYS HE3 . 18566 1 630 . 1 1 58 58 LYS C C 13 175.989 0.3 . 1 . . . A 279 LYS C . 18566 1 631 . 1 1 58 58 LYS CA C 13 54.918 0.3 . 1 . . . A 279 LYS CA . 18566 1 632 . 1 1 58 58 LYS CB C 13 36.221 0.3 . 1 . . . A 279 LYS CB . 18566 1 633 . 1 1 58 58 LYS CG C 13 25.478 0.3 . 1 . . . A 279 LYS CG . 18566 1 634 . 1 1 58 58 LYS CD C 13 28.976 0.3 . 1 . . . A 279 LYS CD . 18566 1 635 . 1 1 58 58 LYS CE C 13 43.099 0.3 . 1 . . . A 279 LYS CE . 18566 1 636 . 1 1 58 58 LYS N N 15 127.489 0.13 . 1 . . . A 279 LYS N . 18566 1 637 . 1 1 59 59 PHE H H 1 9.219 0.05 . 1 . . . A 280 PHE H . 18566 1 638 . 1 1 59 59 PHE HA H 1 5.539 0.05 . 1 . . . A 280 PHE HA . 18566 1 639 . 1 1 59 59 PHE HB2 H 1 2.851 0.05 . 1 . . . A 280 PHE HB2 . 18566 1 640 . 1 1 59 59 PHE HB3 H 1 3.426 0.05 . 1 . . . A 280 PHE HB3 . 18566 1 641 . 1 1 59 59 PHE HD1 H 1 7.489 0.05 . 3 . . . A 280 PHE HD1 . 18566 1 642 . 1 1 59 59 PHE HD2 H 1 7.489 0.05 . 3 . . . A 280 PHE HD2 . 18566 1 643 . 1 1 59 59 PHE HE1 H 1 7.109 0.05 . 3 . . . A 280 PHE HE1 . 18566 1 644 . 1 1 59 59 PHE HE2 H 1 7.109 0.05 . 3 . . . A 280 PHE HE2 . 18566 1 645 . 1 1 59 59 PHE HZ H 1 6.584 0.05 . 1 . . . A 280 PHE HZ . 18566 1 646 . 1 1 59 59 PHE C C 13 177.541 0.3 . 1 . . . A 280 PHE C . 18566 1 647 . 1 1 59 59 PHE CA C 13 57.028 0.3 . 1 . . . A 280 PHE CA . 18566 1 648 . 1 1 59 59 PHE CB C 13 38.984 0.3 . 1 . . . A 280 PHE CB . 18566 1 649 . 1 1 59 59 PHE CD1 C 13 130.211 0.3 . 3 . . . A 280 PHE CD1 . 18566 1 650 . 1 1 59 59 PHE CD2 C 13 130.211 0.3 . 3 . . . A 280 PHE CD2 . 18566 1 651 . 1 1 59 59 PHE CE1 C 13 130.366 0.3 . 3 . . . A 280 PHE CE1 . 18566 1 652 . 1 1 59 59 PHE CE2 C 13 130.366 0.3 . 3 . . . A 280 PHE CE2 . 18566 1 653 . 1 1 59 59 PHE N N 15 119.349 0.13 . 1 . . . A 280 PHE N . 18566 1 654 . 1 1 60 60 LEU H H 1 8.452 0.05 . 1 . . . A 281 LEU H . 18566 1 655 . 1 1 60 60 LEU HA H 1 4.267 0.05 . 1 . . . A 281 LEU HA . 18566 1 656 . 1 1 60 60 LEU HB2 H 1 1.484 0.05 . 2 . . . A 281 LEU HB2 . 18566 1 657 . 1 1 60 60 LEU HB3 H 1 1.671 0.05 . 2 . . . A 281 LEU HB3 . 18566 1 658 . 1 1 60 60 LEU HG H 1 1.301 0.05 . 1 . . . A 281 LEU HG . 18566 1 659 . 1 1 60 60 LEU HD11 H 1 0.848 0.05 . 2 . . . A 281 LEU HD11 . 18566 1 660 . 1 1 60 60 LEU HD12 H 1 0.848 0.05 . 2 . . . A 281 LEU HD12 . 18566 1 661 . 1 1 60 60 LEU HD13 H 1 0.848 0.05 . 2 . . . A 281 LEU HD13 . 18566 1 662 . 1 1 60 60 LEU HD21 H 1 0.826 0.05 . 2 . . . A 281 LEU HD21 . 18566 1 663 . 1 1 60 60 LEU HD22 H 1 0.826 0.05 . 2 . . . A 281 LEU HD22 . 18566 1 664 . 1 1 60 60 LEU HD23 H 1 0.826 0.05 . 2 . . . A 281 LEU HD23 . 18566 1 665 . 1 1 60 60 LEU C C 13 176.555 0.3 . 1 . . . A 281 LEU C . 18566 1 666 . 1 1 60 60 LEU CA C 13 56.116 0.3 . 1 . . . A 281 LEU CA . 18566 1 667 . 1 1 60 60 LEU CB C 13 41.928 0.3 . 1 . . . A 281 LEU CB . 18566 1 668 . 1 1 60 60 LEU CG C 13 27.299 0.3 . 1 . . . A 281 LEU CG . 18566 1 669 . 1 1 60 60 LEU CD1 C 13 25.908 0.3 . 2 . . . A 281 LEU CD1 . 18566 1 670 . 1 1 60 60 LEU CD2 C 13 22.104 0.3 . 2 . . . A 281 LEU CD2 . 18566 1 671 . 1 1 60 60 LEU N N 15 124.703 0.13 . 1 . . . A 281 LEU N . 18566 1 672 . 1 1 61 61 GLY H H 1 8.357 0.05 . 1 . . . A 282 GLY H . 18566 1 673 . 1 1 61 61 GLY HA2 H 1 3.991 0.05 . 1 . . . A 282 GLY HA2 . 18566 1 674 . 1 1 61 61 GLY HA3 H 1 3.991 0.05 . 1 . . . A 282 GLY HA3 . 18566 1 675 . 1 1 61 61 GLY C C 13 174.346 0.3 . 1 . . . A 282 GLY C . 18566 1 676 . 1 1 61 61 GLY CA C 13 45.711 0.3 . 1 . . . A 282 GLY CA . 18566 1 677 . 1 1 61 61 GLY N N 15 109.108 0.13 . 1 . . . A 282 GLY N . 18566 1 678 . 1 1 62 62 GLN HA H 1 4.347 0.05 . 1 . . . A 283 GLN HA . 18566 1 679 . 1 1 62 62 GLN HB2 H 1 2.232 0.05 . 2 . . . A 283 GLN HB2 . 18566 1 680 . 1 1 62 62 GLN HB3 H 1 2.232 0.05 . 2 . . . A 283 GLN HB3 . 18566 1 681 . 1 1 62 62 GLN HG2 H 1 2.476 0.05 . 2 . . . A 283 GLN HG2 . 18566 1 682 . 1 1 62 62 GLN HG3 H 1 2.455 0.05 . 2 . . . A 283 GLN HG3 . 18566 1 683 . 1 1 62 62 GLN C C 13 177.152 0.3 . 1 . . . A 283 GLN C . 18566 1 684 . 1 1 62 62 GLN CA C 13 57.063 0.3 . 1 . . . A 283 GLN CA . 18566 1 685 . 1 1 62 62 GLN CB C 13 29.162 0.3 . 1 . . . A 283 GLN CB . 18566 1 686 . 1 1 62 62 GLN CG C 13 34.609 0.3 . 1 . . . A 283 GLN CG . 18566 1 687 . 1 1 63 63 MET H H 1 8.062 0.05 . 1 . . . A 284 MET H . 18566 1 688 . 1 1 63 63 MET HA H 1 4.372 0.05 . 1 . . . A 284 MET HA . 18566 1 689 . 1 1 63 63 MET HB2 H 1 2.198 0.05 . 2 . . . A 284 MET HB2 . 18566 1 690 . 1 1 63 63 MET HB3 H 1 2.078 0.05 . 2 . . . A 284 MET HB3 . 18566 1 691 . 1 1 63 63 MET HG2 H 1 2.641 0.05 . 2 . . . A 284 MET HG2 . 18566 1 692 . 1 1 63 63 MET HG3 H 1 2.494 0.05 . 2 . . . A 284 MET HG3 . 18566 1 693 . 1 1 63 63 MET C C 13 176.306 0.3 . 1 . . . A 284 MET C . 18566 1 694 . 1 1 63 63 MET CA C 13 57.062 0.3 . 1 . . . A 284 MET CA . 18566 1 695 . 1 1 63 63 MET CB C 13 33.504 0.3 . 1 . . . A 284 MET CB . 18566 1 696 . 1 1 63 63 MET CG C 13 32.061 0.3 . 1 . . . A 284 MET CG . 18566 1 697 . 1 1 63 63 MET N N 15 119.419 0.13 . 1 . . . A 284 MET N . 18566 1 698 . 1 1 64 64 ALA H H 1 7.945 0.05 . 1 . . . A 285 ALA H . 18566 1 699 . 1 1 64 64 ALA HB1 H 1 1.42 0.05 . 1 . . . A 285 ALA HB1 . 18566 1 700 . 1 1 64 64 ALA HB2 H 1 1.42 0.05 . 1 . . . A 285 ALA HB2 . 18566 1 701 . 1 1 64 64 ALA HB3 H 1 1.42 0.05 . 1 . . . A 285 ALA HB3 . 18566 1 702 . 1 1 64 64 ALA C C 13 177.645 0.3 . 1 . . . A 285 ALA C . 18566 1 703 . 1 1 64 64 ALA CA C 13 53.08 0.3 . 1 . . . A 285 ALA CA . 18566 1 704 . 1 1 64 64 ALA CB C 13 19.26 0.3 . 1 . . . A 285 ALA CB . 18566 1 705 . 1 1 64 64 ALA N N 15 120.965 0.13 . 1 . . . A 285 ALA N . 18566 1 706 . 1 1 65 65 LYS H H 1 7.757 0.05 . 1 . . . A 286 LYS H . 18566 1 707 . 1 1 65 65 LYS HA H 1 4.26 0.05 . 1 . . . A 286 LYS HA . 18566 1 708 . 1 1 65 65 LYS HB2 H 1 1.923 0.05 . 2 . . . A 286 LYS HB2 . 18566 1 709 . 1 1 65 65 LYS HB3 H 1 1.829 0.05 . 2 . . . A 286 LYS HB3 . 18566 1 710 . 1 1 65 65 LYS HG2 H 1 1.503 0.05 . 2 . . . A 286 LYS HG2 . 18566 1 711 . 1 1 65 65 LYS HG3 H 1 1.434 0.05 . 2 . . . A 286 LYS HG3 . 18566 1 712 . 1 1 65 65 LYS HD2 H 1 1.693 0.05 . 2 . . . A 286 LYS HD2 . 18566 1 713 . 1 1 65 65 LYS HD3 H 1 1.696 0.05 . 2 . . . A 286 LYS HD3 . 18566 1 714 . 1 1 65 65 LYS HE2 H 1 3.002 0.05 . 2 . . . A 286 LYS HE2 . 18566 1 715 . 1 1 65 65 LYS HE3 H 1 3.003 0.05 . 2 . . . A 286 LYS HE3 . 18566 1 716 . 1 1 65 65 LYS C C 13 176.115 0.3 . 1 . . . A 286 LYS C . 18566 1 717 . 1 1 65 65 LYS CA C 13 56.481 0.3 . 1 . . . A 286 LYS CA . 18566 1 718 . 1 1 65 65 LYS CB C 13 32.575 0.3 . 1 . . . A 286 LYS CB . 18566 1 719 . 1 1 65 65 LYS CG C 13 24.829 0.3 . 1 . . . A 286 LYS CG . 18566 1 720 . 1 1 65 65 LYS CD C 13 28.849 0.3 . 1 . . . A 286 LYS CD . 18566 1 721 . 1 1 65 65 LYS CE C 13 42.124 0.3 . 1 . . . A 286 LYS CE . 18566 1 722 . 1 1 65 65 LYS N N 15 116.273 0.13 . 1 . . . A 286 LYS N . 18566 1 723 . 1 1 66 66 ASN H H 1 8.126 0.05 . 1 . . . A 287 ASN H . 18566 1 724 . 1 1 66 66 ASN HA H 1 4.683 0.05 . 1 . . . A 287 ASN HA . 18566 1 725 . 1 1 66 66 ASN HB2 H 1 2.841 0.05 . 1 . . . A 287 ASN HB2 . 18566 1 726 . 1 1 66 66 ASN HB3 H 1 2.841 0.05 . 1 . . . A 287 ASN HB3 . 18566 1 727 . 1 1 66 66 ASN C C 13 174.506 0.3 . 1 . . . A 287 ASN C . 18566 1 728 . 1 1 66 66 ASN CA C 13 53.361 0.3 . 1 . . . A 287 ASN CA . 18566 1 729 . 1 1 66 66 ASN CB C 13 38.997 0.3 . 1 . . . A 287 ASN CB . 18566 1 730 . 1 1 66 66 ASN N N 15 116.339 0.13 . 1 . . . A 287 ASN N . 18566 1 731 . 1 1 67 67 VAL H H 1 8.09 0.05 . 1 . . . A 288 VAL H . 18566 1 732 . 1 1 67 67 VAL HA H 1 4.143 0.05 . 1 . . . A 288 VAL HA . 18566 1 733 . 1 1 67 67 VAL HB H 1 2.129 0.05 . 1 . . . A 288 VAL HB . 18566 1 734 . 1 1 67 67 VAL HG11 H 1 0.98 0.05 . 2 . . . A 288 VAL HG11 . 18566 1 735 . 1 1 67 67 VAL HG12 H 1 0.98 0.05 . 2 . . . A 288 VAL HG12 . 18566 1 736 . 1 1 67 67 VAL HG13 H 1 0.98 0.05 . 2 . . . A 288 VAL HG13 . 18566 1 737 . 1 1 67 67 VAL HG21 H 1 0.984 0.05 . 2 . . . A 288 VAL HG21 . 18566 1 738 . 1 1 67 67 VAL HG22 H 1 0.984 0.05 . 2 . . . A 288 VAL HG22 . 18566 1 739 . 1 1 67 67 VAL HG23 H 1 0.984 0.05 . 2 . . . A 288 VAL HG23 . 18566 1 740 . 1 1 67 67 VAL C C 13 176.004 0.3 . 1 . . . A 288 VAL C . 18566 1 741 . 1 1 67 67 VAL CA C 13 63.117 0.3 . 1 . . . A 288 VAL CA . 18566 1 742 . 1 1 67 67 VAL CB C 13 32.576 0.3 . 1 . . . A 288 VAL CB . 18566 1 743 . 1 1 67 67 VAL CG1 C 13 20.633 0.3 . 2 . . . A 288 VAL CG1 . 18566 1 744 . 1 1 67 67 VAL CG2 C 13 21.288 0.3 . 2 . . . A 288 VAL CG2 . 18566 1 745 . 1 1 67 67 VAL N N 15 120.04 0.13 . 1 . . . A 288 VAL N . 18566 1 746 . 1 1 68 68 LEU H H 1 8.129 0.05 . 1 . . . A 289 LEU H . 18566 1 747 . 1 1 68 68 LEU HA H 1 4.439 0.05 . 1 . . . A 289 LEU HA . 18566 1 748 . 1 1 68 68 LEU HB2 H 1 1.644 0.05 . 2 . . . A 289 LEU HB2 . 18566 1 749 . 1 1 68 68 LEU HB3 H 1 1.692 0.05 . 2 . . . A 289 LEU HB3 . 18566 1 750 . 1 1 68 68 LEU HG H 1 1.59 0.05 . 1 . . . A 289 LEU HG . 18566 1 751 . 1 1 68 68 LEU HD11 H 1 0.946 0.05 . 2 . . . A 289 LEU HD11 . 18566 1 752 . 1 1 68 68 LEU HD12 H 1 0.946 0.05 . 2 . . . A 289 LEU HD12 . 18566 1 753 . 1 1 68 68 LEU HD13 H 1 0.946 0.05 . 2 . . . A 289 LEU HD13 . 18566 1 754 . 1 1 68 68 LEU HD21 H 1 0.886 0.05 . 2 . . . A 289 LEU HD21 . 18566 1 755 . 1 1 68 68 LEU HD22 H 1 0.886 0.05 . 2 . . . A 289 LEU HD22 . 18566 1 756 . 1 1 68 68 LEU HD23 H 1 0.886 0.05 . 2 . . . A 289 LEU HD23 . 18566 1 757 . 1 1 68 68 LEU C C 13 176.339 0.3 . 1 . . . A 289 LEU C . 18566 1 758 . 1 1 68 68 LEU CA C 13 54.484 0.3 . 1 . . . A 289 LEU CA . 18566 1 759 . 1 1 68 68 LEU CB C 13 41.419 0.3 . 1 . . . A 289 LEU CB . 18566 1 760 . 1 1 68 68 LEU CG C 13 26.9 0.3 . 1 . . . A 289 LEU CG . 18566 1 761 . 1 1 68 68 LEU CD1 C 13 25.025 0.3 . 2 . . . A 289 LEU CD1 . 18566 1 762 . 1 1 68 68 LEU CD2 C 13 23.352 0.3 . 2 . . . A 289 LEU CD2 . 18566 1 763 . 1 1 68 68 LEU N N 15 124.226 0.13 . 1 . . . A 289 LEU N . 18566 1 764 . 1 1 69 69 ALA H H 1 8.002 0.05 . 1 . . . A 290 ALA H . 18566 1 765 . 1 1 69 69 ALA HA H 1 4.249 0.05 . 1 . . . A 290 ALA HA . 18566 1 766 . 1 1 69 69 ALA HB1 H 1 1.414 0.05 . 1 . . . A 290 ALA HB1 . 18566 1 767 . 1 1 69 69 ALA HB2 H 1 1.414 0.05 . 1 . . . A 290 ALA HB2 . 18566 1 768 . 1 1 69 69 ALA HB3 H 1 1.414 0.05 . 1 . . . A 290 ALA HB3 . 18566 1 769 . 1 1 69 69 ALA C C 13 177.626 0.3 . 1 . . . A 290 ALA C . 18566 1 770 . 1 1 69 69 ALA CA C 13 52.634 0.3 . 1 . . . A 290 ALA CA . 18566 1 771 . 1 1 69 69 ALA CB C 13 19.423 0.3 . 1 . . . A 290 ALA CB . 18566 1 772 . 1 1 69 69 ALA N N 15 124.232 0.13 . 1 . . . A 290 ALA N . 18566 1 773 . 1 1 70 70 GLN H H 1 8.272 0.05 . 1 . . . A 291 GLN H . 18566 1 774 . 1 1 70 70 GLN HA H 1 4.302 0.05 . 1 . . . A 291 GLN HA . 18566 1 775 . 1 1 70 70 GLN HB2 H 1 2.17 0.05 . 1 . . . A 291 GLN HB2 . 18566 1 776 . 1 1 70 70 GLN HB3 H 1 2.001 0.05 . 1 . . . A 291 GLN HB3 . 18566 1 777 . 1 1 70 70 GLN HG2 H 1 2.458 0.05 . 2 . . . A 291 GLN HG2 . 18566 1 778 . 1 1 70 70 GLN HG3 H 1 2.455 0.05 . 2 . . . A 291 GLN HG3 . 18566 1 779 . 1 1 70 70 GLN C C 13 175.149 0.3 . 1 . . . A 291 GLN C . 18566 1 780 . 1 1 70 70 GLN CA C 13 55.136 0.3 . 1 . . . A 291 GLN CA . 18566 1 781 . 1 1 70 70 GLN CB C 13 30.011 0.3 . 1 . . . A 291 GLN CB . 18566 1 782 . 1 1 70 70 GLN CG C 13 33.905 0.3 . 1 . . . A 291 GLN CG . 18566 1 783 . 1 1 70 70 GLN N N 15 120.148 0.13 . 1 . . . A 291 GLN N . 18566 1 784 . 1 1 71 71 ASP H H 1 8.42 0.05 . 1 . . . A 292 ASP H . 18566 1 785 . 1 1 71 71 ASP HA H 1 4.709 0.05 . 1 . . . A 292 ASP HA . 18566 1 786 . 1 1 71 71 ASP HB2 H 1 2.431 0.05 . 1 . . . A 292 ASP HB2 . 18566 1 787 . 1 1 71 71 ASP HB3 H 1 2.911 0.05 . 1 . . . A 292 ASP HB3 . 18566 1 788 . 1 1 71 71 ASP C C 13 176.388 0.3 . 1 . . . A 292 ASP C . 18566 1 789 . 1 1 71 71 ASP CA C 13 55.289 0.3 . 1 . . . A 292 ASP CA . 18566 1 790 . 1 1 71 71 ASP CB C 13 41.006 0.3 . 1 . . . A 292 ASP CB . 18566 1 791 . 1 1 71 71 ASP N N 15 121.207 0.13 . 1 . . . A 292 ASP N . 18566 1 792 . 1 1 72 72 ALA H H 1 9.631 0.05 . 1 . . . A 293 ALA H . 18566 1 793 . 1 1 72 72 ALA HA H 1 3.678 0.05 . 1 . . . A 293 ALA HA . 18566 1 794 . 1 1 72 72 ALA HB1 H 1 0.195 0.05 . 1 . . . A 293 ALA HB1 . 18566 1 795 . 1 1 72 72 ALA HB2 H 1 0.195 0.05 . 1 . . . A 293 ALA HB2 . 18566 1 796 . 1 1 72 72 ALA HB3 H 1 0.195 0.05 . 1 . . . A 293 ALA HB3 . 18566 1 797 . 1 1 72 72 ALA C C 13 177.115 0.3 . 1 . . . A 293 ALA C . 18566 1 798 . 1 1 72 72 ALA CA C 13 52.732 0.3 . 1 . . . A 293 ALA CA . 18566 1 799 . 1 1 72 72 ALA CB C 13 17.513 0.3 . 1 . . . A 293 ALA CB . 18566 1 800 . 1 1 72 72 ALA N N 15 126.037 0.13 . 1 . . . A 293 ALA N . 18566 1 801 . 1 1 73 73 THR H H 1 7.067 0.05 . 1 . . . A 294 THR H . 18566 1 802 . 1 1 73 73 THR HA H 1 4.71 0.05 . 1 . . . A 294 THR HA . 18566 1 803 . 1 1 73 73 THR HB H 1 3.954 0.05 . 1 . . . A 294 THR HB . 18566 1 804 . 1 1 73 73 THR HG21 H 1 1.146 0.05 . 1 . . . A 294 THR HG21 . 18566 1 805 . 1 1 73 73 THR HG22 H 1 1.146 0.05 . 1 . . . A 294 THR HG22 . 18566 1 806 . 1 1 73 73 THR HG23 H 1 1.146 0.05 . 1 . . . A 294 THR HG23 . 18566 1 807 . 1 1 73 73 THR C C 13 172.547 0.3 . 1 . . . A 294 THR C . 18566 1 808 . 1 1 73 73 THR CA C 13 60.869 0.3 . 1 . . . A 294 THR CA . 18566 1 809 . 1 1 73 73 THR CB C 13 70.49 0.3 . 1 . . . A 294 THR CB . 18566 1 810 . 1 1 73 73 THR CG2 C 13 22.072 0.3 . 1 . . . A 294 THR CG2 . 18566 1 811 . 1 1 73 73 THR N N 15 114.05 0.13 . 1 . . . A 294 THR N . 18566 1 812 . 1 1 74 74 PHE H H 1 9.414 0.05 . 1 . . . A 295 PHE H . 18566 1 813 . 1 1 74 74 PHE HA H 1 4.946 0.05 . 1 . . . A 295 PHE HA . 18566 1 814 . 1 1 74 74 PHE HB2 H 1 2.744 0.05 . 1 . . . A 295 PHE HB2 . 18566 1 815 . 1 1 74 74 PHE HB3 H 1 2.977 0.05 . 1 . . . A 295 PHE HB3 . 18566 1 816 . 1 1 74 74 PHE HD1 H 1 7.425 0.05 . 3 . . . A 295 PHE HD1 . 18566 1 817 . 1 1 74 74 PHE HD2 H 1 7.425 0.05 . 3 . . . A 295 PHE HD2 . 18566 1 818 . 1 1 74 74 PHE HE1 H 1 7.279 0.05 . 3 . . . A 295 PHE HE1 . 18566 1 819 . 1 1 74 74 PHE HE2 H 1 7.279 0.05 . 3 . . . A 295 PHE HE2 . 18566 1 820 . 1 1 74 74 PHE HZ H 1 6.801 0.05 . 1 . . . A 295 PHE HZ . 18566 1 821 . 1 1 74 74 PHE C C 13 175.181 0.3 . 1 . . . A 295 PHE C . 18566 1 822 . 1 1 74 74 PHE CA C 13 56.683 0.3 . 1 . . . A 295 PHE CA . 18566 1 823 . 1 1 74 74 PHE CB C 13 42.268 0.3 . 1 . . . A 295 PHE CB . 18566 1 824 . 1 1 74 74 PHE CD1 C 13 130.447 0.3 . 3 . . . A 295 PHE CD1 . 18566 1 825 . 1 1 74 74 PHE CD2 C 13 130.447 0.3 . 3 . . . A 295 PHE CD2 . 18566 1 826 . 1 1 74 74 PHE CE1 C 13 130.947 0.3 . 3 . . . A 295 PHE CE1 . 18566 1 827 . 1 1 74 74 PHE CE2 C 13 130.947 0.3 . 3 . . . A 295 PHE CE2 . 18566 1 828 . 1 1 74 74 PHE CZ C 13 131.547 0.3 . 1 . . . A 295 PHE CZ . 18566 1 829 . 1 1 74 74 PHE N N 15 123.544 0.13 . 1 . . . A 295 PHE N . 18566 1 830 . 1 1 75 75 SER H H 1 8.969 0.05 . 1 . . . A 296 SER H . 18566 1 831 . 1 1 75 75 SER HA H 1 5.335 0.05 . 1 . . . A 296 SER HA . 18566 1 832 . 1 1 75 75 SER HB2 H 1 3.757 0.05 . 2 . . . A 296 SER HB2 . 18566 1 833 . 1 1 75 75 SER HB3 H 1 3.758 0.05 . 2 . . . A 296 SER HB3 . 18566 1 834 . 1 1 75 75 SER C C 13 174.416 0.3 . 1 . . . A 296 SER C . 18566 1 835 . 1 1 75 75 SER CA C 13 58.215 0.3 . 1 . . . A 296 SER CA . 18566 1 836 . 1 1 75 75 SER CB C 13 64.675 0.3 . 1 . . . A 296 SER CB . 18566 1 837 . 1 1 75 75 SER N N 15 115.755 0.13 . 1 . . . A 296 SER N . 18566 1 838 . 1 1 76 76 VAL H H 1 9.131 0.05 . 1 . . . A 297 VAL H . 18566 1 839 . 1 1 76 76 VAL HA H 1 4.039 0.05 . 1 . . . A 297 VAL HA . 18566 1 840 . 1 1 76 76 VAL HB H 1 2.302 0.05 . 1 . . . A 297 VAL HB . 18566 1 841 . 1 1 76 76 VAL HG11 H 1 0.879 0.05 . 2 . . . A 297 VAL HG11 . 18566 1 842 . 1 1 76 76 VAL HG12 H 1 0.879 0.05 . 2 . . . A 297 VAL HG12 . 18566 1 843 . 1 1 76 76 VAL HG13 H 1 0.879 0.05 . 2 . . . A 297 VAL HG13 . 18566 1 844 . 1 1 76 76 VAL HG21 H 1 0.626 0.05 . 2 . . . A 297 VAL HG21 . 18566 1 845 . 1 1 76 76 VAL HG22 H 1 0.626 0.05 . 2 . . . A 297 VAL HG22 . 18566 1 846 . 1 1 76 76 VAL HG23 H 1 0.626 0.05 . 2 . . . A 297 VAL HG23 . 18566 1 847 . 1 1 76 76 VAL C C 13 176.32 0.3 . 1 . . . A 297 VAL C . 18566 1 848 . 1 1 76 76 VAL CA C 13 63.521 0.3 . 1 . . . A 297 VAL CA . 18566 1 849 . 1 1 76 76 VAL CB C 13 31.456 0.3 . 1 . . . A 297 VAL CB . 18566 1 850 . 1 1 76 76 VAL CG1 C 13 21.629 0.3 . 2 . . . A 297 VAL CG1 . 18566 1 851 . 1 1 76 76 VAL CG2 C 13 22.529 0.3 . 2 . . . A 297 VAL CG2 . 18566 1 852 . 1 1 76 76 VAL N N 15 123.984 0.13 . 1 . . . A 297 VAL N . 18566 1 853 . 1 1 77 77 VAL H H 1 9.435 0.05 . 1 . . . A 298 VAL H . 18566 1 854 . 1 1 77 77 VAL HA H 1 3.85 0.05 . 1 . . . A 298 VAL HA . 18566 1 855 . 1 1 77 77 VAL HB H 1 1.689 0.05 . 1 . . . A 298 VAL HB . 18566 1 856 . 1 1 77 77 VAL HG21 H 1 0.795 0.05 . 1 . . . A 298 VAL HG21 . 18566 1 857 . 1 1 77 77 VAL HG22 H 1 0.795 0.05 . 1 . . . A 298 VAL HG22 . 18566 1 858 . 1 1 77 77 VAL HG23 H 1 0.795 0.05 . 1 . . . A 298 VAL HG23 . 18566 1 859 . 1 1 77 77 VAL C C 13 175.981 0.3 . 1 . . . A 298 VAL C . 18566 1 860 . 1 1 77 77 VAL CA C 13 64.07 0.3 . 1 . . . A 298 VAL CA . 18566 1 861 . 1 1 77 77 VAL CB C 13 32.794 0.3 . 1 . . . A 298 VAL CB . 18566 1 862 . 1 1 77 77 VAL CG2 C 13 20.93 0.3 . 1 . . . A 298 VAL CG2 . 18566 1 863 . 1 1 77 77 VAL N N 15 132.732 0.13 . 1 . . . A 298 VAL N . 18566 1 864 . 1 1 78 78 ARG H H 1 7.392 0.05 . 1 . . . A 299 ARG H . 18566 1 865 . 1 1 78 78 ARG HA H 1 4.363 0.05 . 1 . . . A 299 ARG HA . 18566 1 866 . 1 1 78 78 ARG HB2 H 1 1.706 0.05 . 2 . . . A 299 ARG HB2 . 18566 1 867 . 1 1 78 78 ARG HB3 H 1 1.847 0.05 . 2 . . . A 299 ARG HB3 . 18566 1 868 . 1 1 78 78 ARG HG2 H 1 1.299 0.05 . 2 . . . A 299 ARG HG2 . 18566 1 869 . 1 1 78 78 ARG HG3 H 1 1.386 0.05 . 2 . . . A 299 ARG HG3 . 18566 1 870 . 1 1 78 78 ARG HD2 H 1 3.012 0.05 . 2 . . . A 299 ARG HD2 . 18566 1 871 . 1 1 78 78 ARG HD3 H 1 3.162 0.05 . 2 . . . A 299 ARG HD3 . 18566 1 872 . 1 1 78 78 ARG C C 13 174.14 0.3 . 1 . . . A 299 ARG C . 18566 1 873 . 1 1 78 78 ARG CA C 13 55.94 0.3 . 1 . . . A 299 ARG CA . 18566 1 874 . 1 1 78 78 ARG CB C 13 33.873 0.3 . 1 . . . A 299 ARG CB . 18566 1 875 . 1 1 78 78 ARG CG C 13 27.326 0.3 . 1 . . . A 299 ARG CG . 18566 1 876 . 1 1 78 78 ARG CD C 13 43.602 0.3 . 1 . . . A 299 ARG CD . 18566 1 877 . 1 1 78 78 ARG N N 15 113.751 0.13 . 1 . . . A 299 ARG N . 18566 1 878 . 1 1 79 79 VAL H H 1 9.252 0.05 . 1 . . . A 300 VAL H . 18566 1 879 . 1 1 79 79 VAL HA H 1 4.128 0.05 . 1 . . . A 300 VAL HA . 18566 1 880 . 1 1 79 79 VAL HB H 1 2.093 0.05 . 1 . . . A 300 VAL HB . 18566 1 881 . 1 1 79 79 VAL HG11 H 1 0.958 0.05 . 2 . . . A 300 VAL HG11 . 18566 1 882 . 1 1 79 79 VAL HG12 H 1 0.958 0.05 . 2 . . . A 300 VAL HG12 . 18566 1 883 . 1 1 79 79 VAL HG13 H 1 0.958 0.05 . 2 . . . A 300 VAL HG13 . 18566 1 884 . 1 1 79 79 VAL HG21 H 1 0.768 0.05 . 2 . . . A 300 VAL HG21 . 18566 1 885 . 1 1 79 79 VAL HG22 H 1 0.768 0.05 . 2 . . . A 300 VAL HG22 . 18566 1 886 . 1 1 79 79 VAL HG23 H 1 0.768 0.05 . 2 . . . A 300 VAL HG23 . 18566 1 887 . 1 1 79 79 VAL C C 13 175.561 0.3 . 1 . . . A 300 VAL C . 18566 1 888 . 1 1 79 79 VAL CA C 13 63.378 0.3 . 1 . . . A 300 VAL CA . 18566 1 889 . 1 1 79 79 VAL CB C 13 30.837 0.3 . 1 . . . A 300 VAL CB . 18566 1 890 . 1 1 79 79 VAL CG1 C 13 21.804 0.3 . 2 . . . A 300 VAL CG1 . 18566 1 891 . 1 1 79 79 VAL CG2 C 13 20.692 0.3 . 2 . . . A 300 VAL CG2 . 18566 1 892 . 1 1 79 79 VAL N N 15 126.67 0.13 . 1 . . . A 300 VAL N . 18566 1 893 . 1 1 80 80 VAL H H 1 8.094 0.05 . 1 . . . A 301 VAL H . 18566 1 894 . 1 1 80 80 VAL HA H 1 3.518 0.05 . 1 . . . A 301 VAL HA . 18566 1 895 . 1 1 80 80 VAL HB H 1 1.729 0.05 . 1 . . . A 301 VAL HB . 18566 1 896 . 1 1 80 80 VAL HG11 H 1 0.852 0.05 . 2 . . . A 301 VAL HG11 . 18566 1 897 . 1 1 80 80 VAL HG12 H 1 0.852 0.05 . 2 . . . A 301 VAL HG12 . 18566 1 898 . 1 1 80 80 VAL HG13 H 1 0.852 0.05 . 2 . . . A 301 VAL HG13 . 18566 1 899 . 1 1 80 80 VAL HG21 H 1 0.808 0.05 . 2 . . . A 301 VAL HG21 . 18566 1 900 . 1 1 80 80 VAL HG22 H 1 0.808 0.05 . 2 . . . A 301 VAL HG22 . 18566 1 901 . 1 1 80 80 VAL HG23 H 1 0.808 0.05 . 2 . . . A 301 VAL HG23 . 18566 1 902 . 1 1 80 80 VAL C C 13 175.714 0.3 . 1 . . . A 301 VAL C . 18566 1 903 . 1 1 80 80 VAL CA C 13 65.885 0.3 . 1 . . . A 301 VAL CA . 18566 1 904 . 1 1 80 80 VAL CB C 13 33.069 0.3 . 1 . . . A 301 VAL CB . 18566 1 905 . 1 1 80 80 VAL CG1 C 13 20.564 0.3 . 2 . . . A 301 VAL CG1 . 18566 1 906 . 1 1 80 80 VAL CG2 C 13 21.554 0.3 . 2 . . . A 301 VAL CG2 . 18566 1 907 . 1 1 80 80 VAL N N 15 130.077 0.13 . 1 . . . A 301 VAL N . 18566 1 908 . 1 1 81 81 ASP H H 1 8.083 0.05 . 1 . . . A 302 ASP H . 18566 1 909 . 1 1 81 81 ASP HA H 1 4.545 0.05 . 1 . . . A 302 ASP HA . 18566 1 910 . 1 1 81 81 ASP HB2 H 1 3.223 0.05 . 2 . . . A 302 ASP HB2 . 18566 1 911 . 1 1 81 81 ASP HB3 H 1 3.195 0.05 . 2 . . . A 302 ASP HB3 . 18566 1 912 . 1 1 81 81 ASP C C 13 176.144 0.3 . 1 . . . A 302 ASP C . 18566 1 913 . 1 1 81 81 ASP CA C 13 53.525 0.3 . 1 . . . A 302 ASP CA . 18566 1 914 . 1 1 81 81 ASP CB C 13 39.328 0.3 . 1 . . . A 302 ASP CB . 18566 1 915 . 1 1 81 81 ASP N N 15 115.04 0.13 . 1 . . . A 302 ASP N . 18566 1 916 . 1 1 82 82 GLY H H 1 8.67 0.05 . 1 . . . A 303 GLY H . 18566 1 917 . 1 1 82 82 GLY HA2 H 1 3.948 0.05 . 2 . . . A 303 GLY HA2 . 18566 1 918 . 1 1 82 82 GLY HA3 H 1 4.033 0.05 . 2 . . . A 303 GLY HA3 . 18566 1 919 . 1 1 82 82 GLY C C 13 174.568 0.3 . 1 . . . A 303 GLY C . 18566 1 920 . 1 1 82 82 GLY CA C 13 47.148 0.3 . 1 . . . A 303 GLY CA . 18566 1 921 . 1 1 82 82 GLY N N 15 103.911 0.13 . 1 . . . A 303 GLY N . 18566 1 922 . 1 1 83 83 THR H H 1 8.454 0.05 . 1 . . . A 304 THR H . 18566 1 923 . 1 1 83 83 THR HA H 1 4.373 0.05 . 1 . . . A 304 THR HA . 18566 1 924 . 1 1 83 83 THR HB H 1 4.661 0.05 . 1 . . . A 304 THR HB . 18566 1 925 . 1 1 83 83 THR HG21 H 1 1.076 0.05 . 1 . . . A 304 THR HG21 . 18566 1 926 . 1 1 83 83 THR HG22 H 1 1.076 0.05 . 1 . . . A 304 THR HG22 . 18566 1 927 . 1 1 83 83 THR HG23 H 1 1.076 0.05 . 1 . . . A 304 THR HG23 . 18566 1 928 . 1 1 83 83 THR C C 13 172.662 0.3 . 1 . . . A 304 THR C . 18566 1 929 . 1 1 83 83 THR CA C 13 61.069 0.3 . 1 . . . A 304 THR CA . 18566 1 930 . 1 1 83 83 THR CB C 13 71.642 0.3 . 1 . . . A 304 THR CB . 18566 1 931 . 1 1 83 83 THR CG2 C 13 22.616 0.3 . 1 . . . A 304 THR CG2 . 18566 1 932 . 1 1 83 83 THR N N 15 106.441 0.13 . 1 . . . A 304 THR N . 18566 1 933 . 1 1 84 84 HIS H H 1 7.722 0.05 . 1 . . . A 305 HIS H . 18566 1 934 . 1 1 84 84 HIS HA H 1 6.006 0.05 . 1 . . . A 305 HIS HA . 18566 1 935 . 1 1 84 84 HIS HB2 H 1 2.693 0.05 . 1 . . . A 305 HIS HB2 . 18566 1 936 . 1 1 84 84 HIS HB3 H 1 2.823 0.05 . 1 . . . A 305 HIS HB3 . 18566 1 937 . 1 1 84 84 HIS HD2 H 1 7.165 0.05 . 1 . . . A 305 HIS HD2 . 18566 1 938 . 1 1 84 84 HIS HE1 H 1 8.351 0.05 . 1 . . . A 305 HIS HE1 . 18566 1 939 . 1 1 84 84 HIS C C 13 174.159 0.3 . 1 . . . A 305 HIS C . 18566 1 940 . 1 1 84 84 HIS CA C 13 55.882 0.3 . 1 . . . A 305 HIS CA . 18566 1 941 . 1 1 84 84 HIS CB C 13 30.896 0.3 . 1 . . . A 305 HIS CB . 18566 1 942 . 1 1 84 84 HIS CD2 C 13 116.845 0.3 . 1 . . . A 305 HIS CD2 . 18566 1 943 . 1 1 84 84 HIS CE1 C 13 137.364 0.3 . 1 . . . A 305 HIS CE1 . 18566 1 944 . 1 1 84 84 HIS N N 15 117.307 0.13 . 1 . . . A 305 HIS N . 18566 1 945 . 1 1 85 85 VAL H H 1 8.769 0.05 . 1 . . . A 306 VAL H . 18566 1 946 . 1 1 85 85 VAL HA H 1 4.933 0.05 . 1 . . . A 306 VAL HA . 18566 1 947 . 1 1 85 85 VAL HB H 1 2.09 0.05 . 1 . . . A 306 VAL HB . 18566 1 948 . 1 1 85 85 VAL HG11 H 1 0.94 0.05 . 2 . . . A 306 VAL HG11 . 18566 1 949 . 1 1 85 85 VAL HG12 H 1 0.94 0.05 . 2 . . . A 306 VAL HG12 . 18566 1 950 . 1 1 85 85 VAL HG13 H 1 0.94 0.05 . 2 . . . A 306 VAL HG13 . 18566 1 951 . 1 1 85 85 VAL HG21 H 1 1.043 0.05 . 2 . . . A 306 VAL HG21 . 18566 1 952 . 1 1 85 85 VAL HG22 H 1 1.043 0.05 . 2 . . . A 306 VAL HG22 . 18566 1 953 . 1 1 85 85 VAL HG23 H 1 1.043 0.05 . 2 . . . A 306 VAL HG23 . 18566 1 954 . 1 1 85 85 VAL C C 13 172.016 0.3 . 1 . . . A 306 VAL C . 18566 1 955 . 1 1 85 85 VAL CA C 13 59.35 0.3 . 1 . . . A 306 VAL CA . 18566 1 956 . 1 1 85 85 VAL CB C 13 35.852 0.3 . 1 . . . A 306 VAL CB . 18566 1 957 . 1 1 85 85 VAL CG1 C 13 21.422 0.3 . 2 . . . A 306 VAL CG1 . 18566 1 958 . 1 1 85 85 VAL CG2 C 13 22.192 0.3 . 2 . . . A 306 VAL CG2 . 18566 1 959 . 1 1 85 85 VAL N N 15 117.339 0.13 . 1 . . . A 306 VAL N . 18566 1 960 . 1 1 86 86 GLU H H 1 9.011 0.05 . 1 . . . A 307 GLU H . 18566 1 961 . 1 1 86 86 GLU HA H 1 5.492 0.05 . 1 . . . A 307 GLU HA . 18566 1 962 . 1 1 86 86 GLU HB2 H 1 1.888 0.05 . 1 . . . A 307 GLU HB2 . 18566 1 963 . 1 1 86 86 GLU HB3 H 1 1.681 0.05 . 1 . . . A 307 GLU HB3 . 18566 1 964 . 1 1 86 86 GLU HG2 H 1 2.007 0.05 . 2 . . . A 307 GLU HG2 . 18566 1 965 . 1 1 86 86 GLU HG3 H 1 2.048 0.05 . 2 . . . A 307 GLU HG3 . 18566 1 966 . 1 1 86 86 GLU C C 13 176.359 0.3 . 1 . . . A 307 GLU C . 18566 1 967 . 1 1 86 86 GLU CA C 13 54.887 0.3 . 1 . . . A 307 GLU CA . 18566 1 968 . 1 1 86 86 GLU CB C 13 32.57 0.3 . 1 . . . A 307 GLU CB . 18566 1 969 . 1 1 86 86 GLU CG C 13 36.761 0.3 . 1 . . . A 307 GLU CG . 18566 1 970 . 1 1 86 86 GLU N N 15 125.438 0.13 . 1 . . . A 307 GLU N . 18566 1 971 . 1 1 87 87 ILE H H 1 9.417 0.05 . 1 . . . A 308 ILE H . 18566 1 972 . 1 1 87 87 ILE HA H 1 5.785 0.05 . 1 . . . A 308 ILE HA . 18566 1 973 . 1 1 87 87 ILE HB H 1 1.944 0.05 . 1 . . . A 308 ILE HB . 18566 1 974 . 1 1 87 87 ILE HG12 H 1 1.401 0.05 . 2 . . . A 308 ILE HG12 . 18566 1 975 . 1 1 87 87 ILE HG13 H 1 0.953 0.05 . 2 . . . A 308 ILE HG13 . 18566 1 976 . 1 1 87 87 ILE HG21 H 1 0.862 0.05 . 1 . . . A 308 ILE HG21 . 18566 1 977 . 1 1 87 87 ILE HG22 H 1 0.862 0.05 . 1 . . . A 308 ILE HG22 . 18566 1 978 . 1 1 87 87 ILE HG23 H 1 0.862 0.05 . 1 . . . A 308 ILE HG23 . 18566 1 979 . 1 1 87 87 ILE HD11 H 1 0.41 0.05 . 1 . . . A 308 ILE HD11 . 18566 1 980 . 1 1 87 87 ILE HD12 H 1 0.41 0.05 . 1 . . . A 308 ILE HD12 . 18566 1 981 . 1 1 87 87 ILE HD13 H 1 0.41 0.05 . 1 . . . A 308 ILE HD13 . 18566 1 982 . 1 1 87 87 ILE C C 13 173.812 0.3 . 1 . . . A 308 ILE C . 18566 1 983 . 1 1 87 87 ILE CA C 13 59.11 0.3 . 1 . . . A 308 ILE CA . 18566 1 984 . 1 1 87 87 ILE CB C 13 43.253 0.3 . 1 . . . A 308 ILE CB . 18566 1 985 . 1 1 87 87 ILE CG1 C 13 24.816 0.3 . 1 . . . A 308 ILE CG1 . 18566 1 986 . 1 1 87 87 ILE CG2 C 13 18.087 0.3 . 1 . . . A 308 ILE CG2 . 18566 1 987 . 1 1 87 87 ILE CD1 C 13 14.112 0.3 . 1 . . . A 308 ILE CD1 . 18566 1 988 . 1 1 87 87 ILE N N 15 119.222 0.13 . 1 . . . A 308 ILE N . 18566 1 989 . 1 1 88 88 THR H H 1 8.471 0.05 . 1 . . . A 309 THR H . 18566 1 990 . 1 1 88 88 THR HA H 1 5.158 0.05 . 1 . . . A 309 THR HA . 18566 1 991 . 1 1 88 88 THR HB H 1 4.107 0.05 . 1 . . . A 309 THR HB . 18566 1 992 . 1 1 88 88 THR HG21 H 1 1.18 0.05 . 1 . . . A 309 THR HG21 . 18566 1 993 . 1 1 88 88 THR HG22 H 1 1.18 0.05 . 1 . . . A 309 THR HG22 . 18566 1 994 . 1 1 88 88 THR HG23 H 1 1.18 0.05 . 1 . . . A 309 THR HG23 . 18566 1 995 . 1 1 88 88 THR C C 13 172.187 0.3 . 1 . . . A 309 THR C . 18566 1 996 . 1 1 88 88 THR CA C 13 57.94 0.3 . 1 . . . A 309 THR CA . 18566 1 997 . 1 1 88 88 THR CB C 13 72.573 0.3 . 1 . . . A 309 THR CB . 18566 1 998 . 1 1 88 88 THR CG2 C 13 19.392 0.3 . 1 . . . A 309 THR CG2 . 18566 1 999 . 1 1 88 88 THR N N 15 113.592 0.13 . 1 . . . A 309 THR N . 18566 1 1000 . 1 1 89 89 PRO HA H 1 5.169 0.05 . 1 . . . A 310 PRO HA . 18566 1 1001 . 1 1 89 89 PRO HB2 H 1 2.044 0.05 . 2 . . . A 310 PRO HB2 . 18566 1 1002 . 1 1 89 89 PRO HB3 H 1 2.437 0.05 . 2 . . . A 310 PRO HB3 . 18566 1 1003 . 1 1 89 89 PRO HG2 H 1 1.701 0.05 . 2 . . . A 310 PRO HG2 . 18566 1 1004 . 1 1 89 89 PRO HG3 H 1 1.943 0.05 . 2 . . . A 310 PRO HG3 . 18566 1 1005 . 1 1 89 89 PRO HD2 H 1 3.623 0.05 . 2 . . . A 310 PRO HD2 . 18566 1 1006 . 1 1 89 89 PRO HD3 H 1 4.058 0.05 . 2 . . . A 310 PRO HD3 . 18566 1 1007 . 1 1 89 89 PRO C C 13 174.189 0.3 . 1 . . . A 310 PRO C . 18566 1 1008 . 1 1 89 89 PRO CA C 13 63.023 0.3 . 1 . . . A 310 PRO CA . 18566 1 1009 . 1 1 89 89 PRO CB C 13 35.021 0.3 . 1 . . . A 310 PRO CB . 18566 1 1010 . 1 1 89 89 PRO CG C 13 24.642 0.3 . 1 . . . A 310 PRO CG . 18566 1 1011 . 1 1 89 89 PRO CD C 13 50.285 0.3 . 1 . . . A 310 PRO CD . 18566 1 1012 . 1 1 90 90 LYS H H 1 7.72 0.05 . 1 . . . A 311 LYS H . 18566 1 1013 . 1 1 90 90 LYS HA H 1 4.056 0.05 . 1 . . . A 311 LYS HA . 18566 1 1014 . 1 1 90 90 LYS HB2 H 1 1.583 0.05 . 2 . . . A 311 LYS HB2 . 18566 1 1015 . 1 1 90 90 LYS HB3 H 1 1.497 0.05 . 2 . . . A 311 LYS HB3 . 18566 1 1016 . 1 1 90 90 LYS HG2 H 1 0.943 0.05 . 2 . . . A 311 LYS HG2 . 18566 1 1017 . 1 1 90 90 LYS HG3 H 1 1.064 0.05 . 2 . . . A 311 LYS HG3 . 18566 1 1018 . 1 1 90 90 LYS HD2 H 1 1.649 0.05 . 2 . . . A 311 LYS HD2 . 18566 1 1019 . 1 1 90 90 LYS HD3 H 1 1.482 0.05 . 2 . . . A 311 LYS HD3 . 18566 1 1020 . 1 1 90 90 LYS HE2 H 1 3.008 0.05 . 2 . . . A 311 LYS HE2 . 18566 1 1021 . 1 1 90 90 LYS HE3 H 1 3.008 0.05 . 2 . . . A 311 LYS HE3 . 18566 1 1022 . 1 1 90 90 LYS C C 13 175.58 0.3 . 1 . . . A 311 LYS C . 18566 1 1023 . 1 1 90 90 LYS CA C 13 53.949 0.3 . 1 . . . A 311 LYS CA . 18566 1 1024 . 1 1 90 90 LYS CB C 13 33.143 0.3 . 1 . . . A 311 LYS CB . 18566 1 1025 . 1 1 90 90 LYS CG C 13 23.647 0.3 . 1 . . . A 311 LYS CG . 18566 1 1026 . 1 1 90 90 LYS CD C 13 29.656 0.3 . 1 . . . A 311 LYS CD . 18566 1 1027 . 1 1 90 90 LYS CE C 13 41.479 0.3 . 1 . . . A 311 LYS CE . 18566 1 1028 . 1 1 90 90 LYS N N 15 117.631 0.13 . 1 . . . A 311 LYS N . 18566 1 1029 . 1 1 91 91 PRO HA H 1 5.05 0.05 . 1 . . . A 312 PRO HA . 18566 1 1030 . 1 1 91 91 PRO HB2 H 1 2.064 0.05 . 2 . . . A 312 PRO HB2 . 18566 1 1031 . 1 1 91 91 PRO HB3 H 1 2.071 0.05 . 2 . . . A 312 PRO HB3 . 18566 1 1032 . 1 1 91 91 PRO HG2 H 1 2.058 0.05 . 2 . . . A 312 PRO HG2 . 18566 1 1033 . 1 1 91 91 PRO HG3 H 1 1.394 0.05 . 2 . . . A 312 PRO HG3 . 18566 1 1034 . 1 1 91 91 PRO HD2 H 1 2.868 0.05 . 2 . . . A 312 PRO HD2 . 18566 1 1035 . 1 1 91 91 PRO HD3 H 1 3.758 0.05 . 2 . . . A 312 PRO HD3 . 18566 1 1036 . 1 1 91 91 PRO C C 13 175.013 0.3 . 1 . . . A 312 PRO C . 18566 1 1037 . 1 1 91 91 PRO CA C 13 62.3 0.3 . 1 . . . A 312 PRO CA . 18566 1 1038 . 1 1 91 91 PRO CB C 13 30.657 0.3 . 1 . . . A 312 PRO CB . 18566 1 1039 . 1 1 91 91 PRO CG C 13 26.39 0.3 . 1 . . . A 312 PRO CG . 18566 1 1040 . 1 1 91 91 PRO CD C 13 49.757 0.3 . 1 . . . A 312 PRO CD . 18566 1 1041 . 1 1 92 92 VAL H H 1 9.67 0.05 . 1 . . . A 313 VAL H . 18566 1 1042 . 1 1 92 92 VAL HA H 1 4.162 0.05 . 1 . . . A 313 VAL HA . 18566 1 1043 . 1 1 92 92 VAL HB H 1 2.11 0.05 . 1 . . . A 313 VAL HB . 18566 1 1044 . 1 1 92 92 VAL HG11 H 1 0.849 0.05 . 2 . . . A 313 VAL HG11 . 18566 1 1045 . 1 1 92 92 VAL HG12 H 1 0.849 0.05 . 2 . . . A 313 VAL HG12 . 18566 1 1046 . 1 1 92 92 VAL HG13 H 1 0.849 0.05 . 2 . . . A 313 VAL HG13 . 18566 1 1047 . 1 1 92 92 VAL HG21 H 1 0.733 0.05 . 2 . . . A 313 VAL HG21 . 18566 1 1048 . 1 1 92 92 VAL HG22 H 1 0.733 0.05 . 2 . . . A 313 VAL HG22 . 18566 1 1049 . 1 1 92 92 VAL HG23 H 1 0.733 0.05 . 2 . . . A 313 VAL HG23 . 18566 1 1050 . 1 1 92 92 VAL C C 13 174.579 0.3 . 1 . . . A 313 VAL C . 18566 1 1051 . 1 1 92 92 VAL CA C 13 62.518 0.3 . 1 . . . A 313 VAL CA . 18566 1 1052 . 1 1 92 92 VAL CB C 13 33.418 0.3 . 1 . . . A 313 VAL CB . 18566 1 1053 . 1 1 92 92 VAL CG2 C 13 20.081 0.3 . 1 . . . A 313 VAL CG2 . 18566 1 1054 . 1 1 92 92 VAL N N 15 130.408 0.13 . 1 . . . A 313 VAL N . 18566 1 1055 . 1 1 93 93 ALA H H 1 8.945 0.05 . 1 . . . A 314 ALA H . 18566 1 1056 . 1 1 93 93 ALA HA H 1 4.612 0.05 . 1 . . . A 314 ALA HA . 18566 1 1057 . 1 1 93 93 ALA HB1 H 1 1.279 0.05 . 1 . . . A 314 ALA HB1 . 18566 1 1058 . 1 1 93 93 ALA HB2 H 1 1.279 0.05 . 1 . . . A 314 ALA HB2 . 18566 1 1059 . 1 1 93 93 ALA HB3 H 1 1.279 0.05 . 1 . . . A 314 ALA HB3 . 18566 1 1060 . 1 1 93 93 ALA C C 13 177.23 0.3 . 1 . . . A 314 ALA C . 18566 1 1061 . 1 1 93 93 ALA CA C 13 51.708 0.3 . 1 . . . A 314 ALA CA . 18566 1 1062 . 1 1 93 93 ALA CB C 13 21.919 0.3 . 1 . . . A 314 ALA CB . 18566 1 1063 . 1 1 93 93 ALA N N 15 131.619 0.13 . 1 . . . A 314 ALA N . 18566 1 1064 . 1 1 94 94 LEU H H 1 8.661 0.05 . 1 . . . A 315 LEU H . 18566 1 1065 . 1 1 94 94 LEU HA H 1 3.909 0.05 . 1 . . . A 315 LEU HA . 18566 1 1066 . 1 1 94 94 LEU HB2 H 1 1.964 0.05 . 2 . . . A 315 LEU HB2 . 18566 1 1067 . 1 1 94 94 LEU HB3 H 1 1.616 0.05 . 2 . . . A 315 LEU HB3 . 18566 1 1068 . 1 1 94 94 LEU HG H 1 1.733 0.05 . 1 . . . A 315 LEU HG . 18566 1 1069 . 1 1 94 94 LEU HD11 H 1 0.956 0.05 . 2 . . . A 315 LEU HD11 . 18566 1 1070 . 1 1 94 94 LEU HD12 H 1 0.956 0.05 . 2 . . . A 315 LEU HD12 . 18566 1 1071 . 1 1 94 94 LEU HD13 H 1 0.956 0.05 . 2 . . . A 315 LEU HD13 . 18566 1 1072 . 1 1 94 94 LEU HD21 H 1 0.962 0.05 . 2 . . . A 315 LEU HD21 . 18566 1 1073 . 1 1 94 94 LEU HD22 H 1 0.962 0.05 . 2 . . . A 315 LEU HD22 . 18566 1 1074 . 1 1 94 94 LEU HD23 H 1 0.962 0.05 . 2 . . . A 315 LEU HD23 . 18566 1 1075 . 1 1 94 94 LEU C C 13 176.848 0.3 . 1 . . . A 315 LEU C . 18566 1 1076 . 1 1 94 94 LEU CA C 13 56.834 0.3 . 1 . . . A 315 LEU CA . 18566 1 1077 . 1 1 94 94 LEU CB C 13 43.424 0.3 . 1 . . . A 315 LEU CB . 18566 1 1078 . 1 1 94 94 LEU CG C 13 26.554 0.3 . 1 . . . A 315 LEU CG . 18566 1 1079 . 1 1 94 94 LEU CD1 C 13 25.91 0.3 . 2 . . . A 315 LEU CD1 . 18566 1 1080 . 1 1 94 94 LEU CD2 C 13 23.641 0.3 . 2 . . . A 315 LEU CD2 . 18566 1 1081 . 1 1 94 94 LEU N N 15 121.75 0.13 . 1 . . . A 315 LEU N . 18566 1 1082 . 1 1 95 95 ASP H H 1 7.352 0.05 . 1 . . . A 316 ASP H . 18566 1 1083 . 1 1 95 95 ASP HA H 1 4.426 0.05 . 1 . . . A 316 ASP HA . 18566 1 1084 . 1 1 95 95 ASP HB2 H 1 2.634 0.05 . 1 . . . A 316 ASP HB2 . 18566 1 1085 . 1 1 95 95 ASP HB3 H 1 3.154 0.05 . 1 . . . A 316 ASP HB3 . 18566 1 1086 . 1 1 95 95 ASP C C 13 176.559 0.3 . 1 . . . A 316 ASP C . 18566 1 1087 . 1 1 95 95 ASP CA C 13 52.788 0.3 . 1 . . . A 316 ASP CA . 18566 1 1088 . 1 1 95 95 ASP CB C 13 40.11 0.3 . 1 . . . A 316 ASP CB . 18566 1 1089 . 1 1 95 95 ASP N N 15 113.763 0.13 . 1 . . . A 316 ASP N . 18566 1 1090 . 1 1 96 96 ASP H H 1 7.073 0.05 . 1 . . . A 317 ASP H . 18566 1 1091 . 1 1 96 96 ASP HA H 1 4.62 0.05 . 1 . . . A 317 ASP HA . 18566 1 1092 . 1 1 96 96 ASP HB2 H 1 2.646 0.05 . 1 . . . A 317 ASP HB2 . 18566 1 1093 . 1 1 96 96 ASP HB3 H 1 3.337 0.05 . 1 . . . A 317 ASP HB3 . 18566 1 1094 . 1 1 96 96 ASP C C 13 178.389 0.3 . 1 . . . A 317 ASP C . 18566 1 1095 . 1 1 96 96 ASP CA C 13 53.896 0.3 . 1 . . . A 317 ASP CA . 18566 1 1096 . 1 1 96 96 ASP CB C 13 40.778 0.3 . 1 . . . A 317 ASP CB . 18566 1 1097 . 1 1 96 96 ASP N N 15 118.077 0.13 . 1 . . . A 317 ASP N . 18566 1 1098 . 1 1 97 97 VAL H H 1 8.236 0.05 . 1 . . . A 318 VAL H . 18566 1 1099 . 1 1 97 97 VAL HA H 1 4.074 0.05 . 1 . . . A 318 VAL HA . 18566 1 1100 . 1 1 97 97 VAL HB H 1 2.379 0.05 . 1 . . . A 318 VAL HB . 18566 1 1101 . 1 1 97 97 VAL HG11 H 1 1.083 0.05 . 2 . . . A 318 VAL HG11 . 18566 1 1102 . 1 1 97 97 VAL HG12 H 1 1.083 0.05 . 2 . . . A 318 VAL HG12 . 18566 1 1103 . 1 1 97 97 VAL HG13 H 1 1.083 0.05 . 2 . . . A 318 VAL HG13 . 18566 1 1104 . 1 1 97 97 VAL HG21 H 1 1.002 0.05 . 2 . . . A 318 VAL HG21 . 18566 1 1105 . 1 1 97 97 VAL HG22 H 1 1.002 0.05 . 2 . . . A 318 VAL HG22 . 18566 1 1106 . 1 1 97 97 VAL HG23 H 1 1.002 0.05 . 2 . . . A 318 VAL HG23 . 18566 1 1107 . 1 1 97 97 VAL C C 13 176.311 0.3 . 1 . . . A 318 VAL C . 18566 1 1108 . 1 1 97 97 VAL CA C 13 63.393 0.3 . 1 . . . A 318 VAL CA . 18566 1 1109 . 1 1 97 97 VAL CB C 13 31.478 0.3 . 1 . . . A 318 VAL CB . 18566 1 1110 . 1 1 97 97 VAL CG1 C 13 21.227 0.3 . 2 . . . A 318 VAL CG1 . 18566 1 1111 . 1 1 97 97 VAL CG2 C 13 18.912 0.3 . 2 . . . A 318 VAL CG2 . 18566 1 1112 . 1 1 97 97 VAL N N 15 124.922 0.13 . 1 . . . A 318 VAL N . 18566 1 1113 . 1 1 98 98 SER H H 1 8.787 0.05 . 1 . . . A 319 SER H . 18566 1 1114 . 1 1 98 98 SER HA H 1 4.378 0.05 . 1 . . . A 319 SER HA . 18566 1 1115 . 1 1 98 98 SER HB2 H 1 3.978 0.05 . 1 . . . A 319 SER HB2 . 18566 1 1116 . 1 1 98 98 SER HB3 H 1 3.799 0.05 . 1 . . . A 319 SER HB3 . 18566 1 1117 . 1 1 98 98 SER C C 13 175.188 0.3 . 1 . . . A 319 SER C . 18566 1 1118 . 1 1 98 98 SER CA C 13 59.597 0.3 . 1 . . . A 319 SER CA . 18566 1 1119 . 1 1 98 98 SER CB C 13 64.114 0.3 . 1 . . . A 319 SER CB . 18566 1 1120 . 1 1 98 98 SER N N 15 117.235 0.13 . 1 . . . A 319 SER N . 18566 1 1121 . 1 1 99 99 LEU H H 1 7.06 0.05 . 1 . . . A 320 LEU H . 18566 1 1122 . 1 1 99 99 LEU HA H 1 4.481 0.05 . 1 . . . A 320 LEU HA . 18566 1 1123 . 1 1 99 99 LEU HB2 H 1 1.476 0.05 . 1 . . . A 320 LEU HB2 . 18566 1 1124 . 1 1 99 99 LEU HB3 H 1 1.809 0.05 . 1 . . . A 320 LEU HB3 . 18566 1 1125 . 1 1 99 99 LEU HG H 1 1.804 0.05 . 1 . . . A 320 LEU HG . 18566 1 1126 . 1 1 99 99 LEU HD11 H 1 0.782 0.05 . 2 . . . A 320 LEU HD11 . 18566 1 1127 . 1 1 99 99 LEU HD12 H 1 0.782 0.05 . 2 . . . A 320 LEU HD12 . 18566 1 1128 . 1 1 99 99 LEU HD13 H 1 0.782 0.05 . 2 . . . A 320 LEU HD13 . 18566 1 1129 . 1 1 99 99 LEU HD21 H 1 1.019 0.05 . 2 . . . A 320 LEU HD21 . 18566 1 1130 . 1 1 99 99 LEU HD22 H 1 1.019 0.05 . 2 . . . A 320 LEU HD22 . 18566 1 1131 . 1 1 99 99 LEU HD23 H 1 1.019 0.05 . 2 . . . A 320 LEU HD23 . 18566 1 1132 . 1 1 99 99 LEU C C 13 177.323 0.3 . 1 . . . A 320 LEU C . 18566 1 1133 . 1 1 99 99 LEU CA C 13 54.425 0.3 . 1 . . . A 320 LEU CA . 18566 1 1134 . 1 1 99 99 LEU CB C 13 42.133 0.3 . 1 . . . A 320 LEU CB . 18566 1 1135 . 1 1 99 99 LEU CG C 13 26.523 0.3 . 1 . . . A 320 LEU CG . 18566 1 1136 . 1 1 99 99 LEU CD1 C 13 22.921 0.3 . 2 . . . A 320 LEU CD1 . 18566 1 1137 . 1 1 99 99 LEU CD2 C 13 26.904 0.3 . 2 . . . A 320 LEU CD2 . 18566 1 1138 . 1 1 99 99 LEU N N 15 121.181 0.13 . 1 . . . A 320 LEU N . 18566 1 1139 . 1 1 100 100 SER H H 1 8.866 0.05 . 1 . . . A 321 SER H . 18566 1 1140 . 1 1 100 100 SER HA H 1 4.808 0.05 . 1 . . . A 321 SER HA . 18566 1 1141 . 1 1 100 100 SER HB2 H 1 4.455 0.05 . 2 . . . A 321 SER HB2 . 18566 1 1142 . 1 1 100 100 SER HB3 H 1 3.988 0.05 . 2 . . . A 321 SER HB3 . 18566 1 1143 . 1 1 100 100 SER C C 13 173.394 0.3 . 1 . . . A 321 SER C . 18566 1 1144 . 1 1 100 100 SER CA C 13 56.54 0.3 . 1 . . . A 321 SER CA . 18566 1 1145 . 1 1 100 100 SER CB C 13 62.846 0.3 . 1 . . . A 321 SER CB . 18566 1 1146 . 1 1 100 100 SER N N 15 120.188 0.13 . 1 . . . A 321 SER N . 18566 1 1147 . 1 1 101 101 PRO HA H 1 4.156 0.05 . 1 . . . A 322 PRO HA . 18566 1 1148 . 1 1 101 101 PRO HB2 H 1 2.415 0.05 . 2 . . . A 322 PRO HB2 . 18566 1 1149 . 1 1 101 101 PRO HB3 H 1 1.958 0.05 . 2 . . . A 322 PRO HB3 . 18566 1 1150 . 1 1 101 101 PRO HG2 H 1 2.051 0.05 . 2 . . . A 322 PRO HG2 . 18566 1 1151 . 1 1 101 101 PRO HG3 H 1 2.283 0.05 . 2 . . . A 322 PRO HG3 . 18566 1 1152 . 1 1 101 101 PRO HD2 H 1 3.946 0.05 . 2 . . . A 322 PRO HD2 . 18566 1 1153 . 1 1 101 101 PRO HD3 H 1 3.945 0.05 . 2 . . . A 322 PRO HD3 . 18566 1 1154 . 1 1 101 101 PRO C C 13 179.438 0.3 . 1 . . . A 322 PRO C . 18566 1 1155 . 1 1 101 101 PRO CA C 13 66.541 0.3 . 1 . . . A 322 PRO CA . 18566 1 1156 . 1 1 101 101 PRO CB C 13 31.688 0.3 . 1 . . . A 322 PRO CB . 18566 1 1157 . 1 1 101 101 PRO CG C 13 28.3 0.3 . 1 . . . A 322 PRO CG . 18566 1 1158 . 1 1 101 101 PRO CD C 13 50.017 0.3 . 1 . . . A 322 PRO CD . 18566 1 1159 . 1 1 102 102 GLU H H 1 8.666 0.05 . 1 . . . A 323 GLU H . 18566 1 1160 . 1 1 102 102 GLU HA H 1 4.081 0.05 . 1 . . . A 323 GLU HA . 18566 1 1161 . 1 1 102 102 GLU HB2 H 1 2.038 0.05 . 2 . . . A 323 GLU HB2 . 18566 1 1162 . 1 1 102 102 GLU HB3 H 1 2.078 0.05 . 2 . . . A 323 GLU HB3 . 18566 1 1163 . 1 1 102 102 GLU HG2 H 1 2.438 0.05 . 2 . . . A 323 GLU HG2 . 18566 1 1164 . 1 1 102 102 GLU HG3 H 1 2.329 0.05 . 2 . . . A 323 GLU HG3 . 18566 1 1165 . 1 1 102 102 GLU C C 13 179.006 0.3 . 1 . . . A 323 GLU C . 18566 1 1166 . 1 1 102 102 GLU CA C 13 59.837 0.3 . 1 . . . A 323 GLU CA . 18566 1 1167 . 1 1 102 102 GLU CB C 13 29.14 0.3 . 1 . . . A 323 GLU CB . 18566 1 1168 . 1 1 102 102 GLU CG C 13 37.098 0.3 . 1 . . . A 323 GLU CG . 18566 1 1169 . 1 1 102 102 GLU N N 15 116.201 0.13 . 1 . . . A 323 GLU N . 18566 1 1170 . 1 1 103 103 GLN H H 1 7.699 0.05 . 1 . . . A 324 GLN H . 18566 1 1171 . 1 1 103 103 GLN HA H 1 4.164 0.05 . 1 . . . A 324 GLN HA . 18566 1 1172 . 1 1 103 103 GLN HB2 H 1 2.589 0.05 . 2 . . . A 324 GLN HB2 . 18566 1 1173 . 1 1 103 103 GLN HB3 H 1 1.762 0.05 . 2 . . . A 324 GLN HB3 . 18566 1 1174 . 1 1 103 103 GLN HG2 H 1 2.595 0.05 . 2 . . . A 324 GLN HG2 . 18566 1 1175 . 1 1 103 103 GLN HG3 H 1 2.313 0.05 . 2 . . . A 324 GLN HG3 . 18566 1 1176 . 1 1 103 103 GLN HE21 H 1 6.863 0.05 . 1 . . . A 324 GLN HE21 . 18566 1 1177 . 1 1 103 103 GLN HE22 H 1 7.591 0.05 . 1 . . . A 324 GLN HE22 . 18566 1 1178 . 1 1 103 103 GLN C C 13 178.303 0.3 . 1 . . . A 324 GLN C . 18566 1 1179 . 1 1 103 103 GLN CA C 13 58.133 0.3 . 1 . . . A 324 GLN CA . 18566 1 1180 . 1 1 103 103 GLN CB C 13 30.332 0.3 . 1 . . . A 324 GLN CB . 18566 1 1181 . 1 1 103 103 GLN CG C 13 34.655 0.3 . 1 . . . A 324 GLN CG . 18566 1 1182 . 1 1 103 103 GLN N N 15 117.309 0.13 . 1 . . . A 324 GLN N . 18566 1 1183 . 1 1 103 103 GLN NE2 N 15 110.858 0.13 . 1 . . . A 324 GLN NE2 . 18566 1 1184 . 1 1 104 104 ARG H H 1 8.5 0.05 . 1 . . . A 325 ARG H . 18566 1 1185 . 1 1 104 104 ARG HA H 1 3.793 0.05 . 1 . . . A 325 ARG HA . 18566 1 1186 . 1 1 104 104 ARG HB2 H 1 1.863 0.05 . 2 . . . A 325 ARG HB2 . 18566 1 1187 . 1 1 104 104 ARG HB3 H 1 1.864 0.05 . 2 . . . A 325 ARG HB3 . 18566 1 1188 . 1 1 104 104 ARG HG2 H 1 1.797 0.05 . 2 . . . A 325 ARG HG2 . 18566 1 1189 . 1 1 104 104 ARG HG3 H 1 1.815 0.05 . 2 . . . A 325 ARG HG3 . 18566 1 1190 . 1 1 104 104 ARG HD2 H 1 3.244 0.05 . 2 . . . A 325 ARG HD2 . 18566 1 1191 . 1 1 104 104 ARG HD3 H 1 3.377 0.05 . 2 . . . A 325 ARG HD3 . 18566 1 1192 . 1 1 104 104 ARG C C 13 177.731 0.3 . 1 . . . A 325 ARG C . 18566 1 1193 . 1 1 104 104 ARG CA C 13 59.341 0.3 . 1 . . . A 325 ARG CA . 18566 1 1194 . 1 1 104 104 ARG CB C 13 29.996 0.3 . 1 . . . A 325 ARG CB . 18566 1 1195 . 1 1 104 104 ARG CG C 13 28.581 0.3 . 1 . . . A 325 ARG CG . 18566 1 1196 . 1 1 104 104 ARG CD C 13 43.362 0.3 . 1 . . . A 325 ARG CD . 18566 1 1197 . 1 1 104 104 ARG N N 15 119.479 0.13 . 1 . . . A 325 ARG N . 18566 1 1198 . 1 1 105 105 ALA H H 1 7.222 0.05 . 1 . . . A 326 ALA H . 18566 1 1199 . 1 1 105 105 ALA HA H 1 4.032 0.05 . 1 . . . A 326 ALA HA . 18566 1 1200 . 1 1 105 105 ALA HB1 H 1 1.177 0.05 . 1 . . . A 326 ALA HB1 . 18566 1 1201 . 1 1 105 105 ALA HB2 H 1 1.177 0.05 . 1 . . . A 326 ALA HB2 . 18566 1 1202 . 1 1 105 105 ALA HB3 H 1 1.177 0.05 . 1 . . . A 326 ALA HB3 . 18566 1 1203 . 1 1 105 105 ALA C C 13 178.016 0.3 . 1 . . . A 326 ALA C . 18566 1 1204 . 1 1 105 105 ALA CA C 13 54.122 0.3 . 1 . . . A 326 ALA CA . 18566 1 1205 . 1 1 105 105 ALA CB C 13 18.309 0.3 . 1 . . . A 326 ALA CB . 18566 1 1206 . 1 1 105 105 ALA N N 15 119.978 0.13 . 1 . . . A 326 ALA N . 18566 1 1207 . 1 1 106 106 TYR H H 1 7.663 0.05 . 1 . . . A 327 TYR H . 18566 1 1208 . 1 1 106 106 TYR HA H 1 4.402 0.05 . 1 . . . A 327 TYR HA . 18566 1 1209 . 1 1 106 106 TYR HB2 H 1 2.886 0.05 . 1 . . . A 327 TYR HB2 . 18566 1 1210 . 1 1 106 106 TYR HB3 H 1 3.399 0.05 . 1 . . . A 327 TYR HB3 . 18566 1 1211 . 1 1 106 106 TYR HD1 H 1 7.29 0.05 . 3 . . . A 327 TYR HD1 . 18566 1 1212 . 1 1 106 106 TYR HD2 H 1 7.29 0.05 . 3 . . . A 327 TYR HD2 . 18566 1 1213 . 1 1 106 106 TYR HE1 H 1 6.821 0.05 . 3 . . . A 327 TYR HE1 . 18566 1 1214 . 1 1 106 106 TYR HE2 H 1 6.821 0.05 . 3 . . . A 327 TYR HE2 . 18566 1 1215 . 1 1 106 106 TYR C C 13 175.226 0.3 . 1 . . . A 327 TYR C . 18566 1 1216 . 1 1 106 106 TYR CA C 13 57.704 0.3 . 1 . . . A 327 TYR CA . 18566 1 1217 . 1 1 106 106 TYR CB C 13 38.016 0.3 . 1 . . . A 327 TYR CB . 18566 1 1218 . 1 1 106 106 TYR CE1 C 13 118.479 0.3 . 3 . . . A 327 TYR CE1 . 18566 1 1219 . 1 1 106 106 TYR CE2 C 13 118.479 0.3 . 3 . . . A 327 TYR CE2 . 18566 1 1220 . 1 1 106 106 TYR N N 15 114.712 0.13 . 1 . . . A 327 TYR N . 18566 1 1221 . 1 1 107 107 ALA H H 1 7.57 0.05 . 1 . . . A 328 ALA H . 18566 1 1222 . 1 1 107 107 ALA HA H 1 3.988 0.05 . 1 . . . A 328 ALA HA . 18566 1 1223 . 1 1 107 107 ALA HB1 H 1 1.396 0.05 . 1 . . . A 328 ALA HB1 . 18566 1 1224 . 1 1 107 107 ALA HB2 H 1 1.396 0.05 . 1 . . . A 328 ALA HB2 . 18566 1 1225 . 1 1 107 107 ALA HB3 H 1 1.396 0.05 . 1 . . . A 328 ALA HB3 . 18566 1 1226 . 1 1 107 107 ALA C C 13 176.932 0.3 . 1 . . . A 328 ALA C . 18566 1 1227 . 1 1 107 107 ALA CA C 13 53.728 0.3 . 1 . . . A 328 ALA CA . 18566 1 1228 . 1 1 107 107 ALA CB C 13 17.994 0.3 . 1 . . . A 328 ALA CB . 18566 1 1229 . 1 1 107 107 ALA N N 15 122.089 0.13 . 1 . . . A 328 ALA N . 18566 1 1230 . 1 1 108 108 ASN H H 1 9.776 0.05 . 1 . . . A 329 ASN H . 18566 1 1231 . 1 1 108 108 ASN HA H 1 5.02 0.05 . 1 . . . A 329 ASN HA . 18566 1 1232 . 1 1 108 108 ASN HB2 H 1 3.259 0.05 . 2 . . . A 329 ASN HB2 . 18566 1 1233 . 1 1 108 108 ASN HB3 H 1 3.026 0.05 . 2 . . . A 329 ASN HB3 . 18566 1 1234 . 1 1 108 108 ASN HD21 H 1 7.208 0.05 . 1 . . . A 329 ASN HD21 . 18566 1 1235 . 1 1 108 108 ASN HD22 H 1 7.871 0.05 . 1 . . . A 329 ASN HD22 . 18566 1 1236 . 1 1 108 108 ASN C C 13 176.353 0.3 . 1 . . . A 329 ASN C . 18566 1 1237 . 1 1 108 108 ASN CA C 13 52.755 0.3 . 1 . . . A 329 ASN CA . 18566 1 1238 . 1 1 108 108 ASN CB C 13 39.383 0.3 . 1 . . . A 329 ASN CB . 18566 1 1239 . 1 1 108 108 ASN N N 15 118.012 0.13 . 1 . . . A 329 ASN N . 18566 1 1240 . 1 1 108 108 ASN ND2 N 15 106.346 0.13 . 1 . . . A 329 ASN ND2 . 18566 1 1241 . 1 1 109 109 VAL H H 1 8.454 0.05 . 1 . . . A 330 VAL H . 18566 1 1242 . 1 1 109 109 VAL HA H 1 5.958 0.05 . 1 . . . A 330 VAL HA . 18566 1 1243 . 1 1 109 109 VAL HB H 1 2.53 0.05 . 1 . . . A 330 VAL HB . 18566 1 1244 . 1 1 109 109 VAL HG11 H 1 0.972 0.05 . 2 . . . A 330 VAL HG11 . 18566 1 1245 . 1 1 109 109 VAL HG12 H 1 0.972 0.05 . 2 . . . A 330 VAL HG12 . 18566 1 1246 . 1 1 109 109 VAL HG13 H 1 0.972 0.05 . 2 . . . A 330 VAL HG13 . 18566 1 1247 . 1 1 109 109 VAL HG21 H 1 0.815 0.05 . 2 . . . A 330 VAL HG21 . 18566 1 1248 . 1 1 109 109 VAL HG22 H 1 0.815 0.05 . 2 . . . A 330 VAL HG22 . 18566 1 1249 . 1 1 109 109 VAL HG23 H 1 0.815 0.05 . 2 . . . A 330 VAL HG23 . 18566 1 1250 . 1 1 109 109 VAL C C 13 174.991 0.3 . 1 . . . A 330 VAL C . 18566 1 1251 . 1 1 109 109 VAL CA C 13 58.972 0.3 . 1 . . . A 330 VAL CA . 18566 1 1252 . 1 1 109 109 VAL CB C 13 36.921 0.3 . 1 . . . A 330 VAL CB . 18566 1 1253 . 1 1 109 109 VAL CG1 C 13 22.294 0.3 . 2 . . . A 330 VAL CG1 . 18566 1 1254 . 1 1 109 109 VAL CG2 C 13 18.743 0.3 . 2 . . . A 330 VAL CG2 . 18566 1 1255 . 1 1 109 109 VAL N N 15 116.798 0.13 . 1 . . . A 330 VAL N . 18566 1 1256 . 1 1 110 110 ASN H H 1 9.478 0.05 . 1 . . . A 331 ASN H . 18566 1 1257 . 1 1 110 110 ASN HA H 1 4.239 0.05 . 1 . . . A 331 ASN HA . 18566 1 1258 . 1 1 110 110 ASN HB2 H 1 2.837 0.05 . 2 . . . A 331 ASN HB2 . 18566 1 1259 . 1 1 110 110 ASN HB3 H 1 2.988 0.05 . 2 . . . A 331 ASN HB3 . 18566 1 1260 . 1 1 110 110 ASN HD21 H 1 7.1 0.05 . 1 . . . A 331 ASN HD21 . 18566 1 1261 . 1 1 110 110 ASN HD22 H 1 8.116 0.05 . 1 . . . A 331 ASN HD22 . 18566 1 1262 . 1 1 110 110 ASN C C 13 174.388 0.3 . 1 . . . A 331 ASN C . 18566 1 1263 . 1 1 110 110 ASN CA C 13 56.704 0.3 . 1 . . . A 331 ASN CA . 18566 1 1264 . 1 1 110 110 ASN CB C 13 36.704 0.3 . 1 . . . A 331 ASN CB . 18566 1 1265 . 1 1 110 110 ASN N N 15 118.452 0.13 . 1 . . . A 331 ASN N . 18566 1 1266 . 1 1 110 110 ASN ND2 N 15 114.209 0.13 . 1 . . . A 331 ASN ND2 . 18566 1 1267 . 1 1 111 111 THR H H 1 7.488 0.05 . 1 . . . A 332 THR H . 18566 1 1268 . 1 1 111 111 THR HA H 1 5.414 0.05 . 1 . . . A 332 THR HA . 18566 1 1269 . 1 1 111 111 THR HB H 1 3.796 0.05 . 1 . . . A 332 THR HB . 18566 1 1270 . 1 1 111 111 THR HG21 H 1 1.108 0.05 . 1 . . . A 332 THR HG21 . 18566 1 1271 . 1 1 111 111 THR HG22 H 1 1.108 0.05 . 1 . . . A 332 THR HG22 . 18566 1 1272 . 1 1 111 111 THR HG23 H 1 1.108 0.05 . 1 . . . A 332 THR HG23 . 18566 1 1273 . 1 1 111 111 THR C C 13 170.532 0.3 . 1 . . . A 332 THR C . 18566 1 1274 . 1 1 111 111 THR CA C 13 59.85 0.3 . 1 . . . A 332 THR CA . 18566 1 1275 . 1 1 111 111 THR CB C 13 71.195 0.3 . 1 . . . A 332 THR CB . 18566 1 1276 . 1 1 111 111 THR CG2 C 13 17.049 0.3 . 1 . . . A 332 THR CG2 . 18566 1 1277 . 1 1 111 111 THR N N 15 115.158 0.13 . 1 . . . A 332 THR N . 18566 1 1278 . 1 1 112 112 SER H H 1 6.927 0.05 . 1 . . . A 333 SER H . 18566 1 1279 . 1 1 112 112 SER HA H 1 4.443 0.05 . 1 . . . A 333 SER HA . 18566 1 1280 . 1 1 112 112 SER HB2 H 1 4.094 0.05 . 1 . . . A 333 SER HB2 . 18566 1 1281 . 1 1 112 112 SER HB3 H 1 3.693 0.05 . 1 . . . A 333 SER HB3 . 18566 1 1282 . 1 1 112 112 SER C C 13 173.725 0.3 . 1 . . . A 333 SER C . 18566 1 1283 . 1 1 112 112 SER CA C 13 56.912 0.3 . 1 . . . A 333 SER CA . 18566 1 1284 . 1 1 112 112 SER CB C 13 64.361 0.3 . 1 . . . A 333 SER CB . 18566 1 1285 . 1 1 112 112 SER N N 15 113.049 0.13 . 1 . . . A 333 SER N . 18566 1 1286 . 1 1 113 113 LEU H H 1 8.011 0.05 . 1 . . . A 334 LEU H . 18566 1 1287 . 1 1 113 113 LEU HA H 1 4.186 0.05 . 1 . . . A 334 LEU HA . 18566 1 1288 . 1 1 113 113 LEU HB2 H 1 1.878 0.05 . 1 . . . A 334 LEU HB2 . 18566 1 1289 . 1 1 113 113 LEU HB3 H 1 1.2 0.05 . 1 . . . A 334 LEU HB3 . 18566 1 1290 . 1 1 113 113 LEU HG H 1 1.39 0.05 . 1 . . . A 334 LEU HG . 18566 1 1291 . 1 1 113 113 LEU HD11 H 1 0.333 0.05 . 2 . . . A 334 LEU HD11 . 18566 1 1292 . 1 1 113 113 LEU HD12 H 1 0.333 0.05 . 2 . . . A 334 LEU HD12 . 18566 1 1293 . 1 1 113 113 LEU HD13 H 1 0.333 0.05 . 2 . . . A 334 LEU HD13 . 18566 1 1294 . 1 1 113 113 LEU HD21 H 1 -0.037 0.05 . 2 . . . A 334 LEU HD21 . 18566 1 1295 . 1 1 113 113 LEU HD22 H 1 -0.037 0.05 . 2 . . . A 334 LEU HD22 . 18566 1 1296 . 1 1 113 113 LEU HD23 H 1 -0.037 0.05 . 2 . . . A 334 LEU HD23 . 18566 1 1297 . 1 1 113 113 LEU C C 13 176.138 0.3 . 1 . . . A 334 LEU C . 18566 1 1298 . 1 1 113 113 LEU CA C 13 55.579 0.3 . 1 . . . A 334 LEU CA . 18566 1 1299 . 1 1 113 113 LEU CB C 13 40.889 0.3 . 1 . . . A 334 LEU CB . 18566 1 1300 . 1 1 113 113 LEU CG C 13 27.57 0.3 . 1 . . . A 334 LEU CG . 18566 1 1301 . 1 1 113 113 LEU CD1 C 13 25.256 0.3 . 2 . . . A 334 LEU CD1 . 18566 1 1302 . 1 1 113 113 LEU CD2 C 13 23.355 0.3 . 2 . . . A 334 LEU CD2 . 18566 1 1303 . 1 1 113 113 LEU N N 15 117.211 0.13 . 1 . . . A 334 LEU N . 18566 1 1304 . 1 1 114 114 ALA H H 1 8.162 0.05 . 1 . . . A 335 ALA H . 18566 1 1305 . 1 1 114 114 ALA HA H 1 4.473 0.05 . 1 . . . A 335 ALA HA . 18566 1 1306 . 1 1 114 114 ALA HB1 H 1 1.386 0.05 . 1 . . . A 335 ALA HB1 . 18566 1 1307 . 1 1 114 114 ALA HB2 H 1 1.386 0.05 . 1 . . . A 335 ALA HB2 . 18566 1 1308 . 1 1 114 114 ALA HB3 H 1 1.386 0.05 . 1 . . . A 335 ALA HB3 . 18566 1 1309 . 1 1 114 114 ALA C C 13 175.93 0.3 . 1 . . . A 335 ALA C . 18566 1 1310 . 1 1 114 114 ALA CA C 13 49.936 0.3 . 1 . . . A 335 ALA CA . 18566 1 1311 . 1 1 114 114 ALA CB C 13 21.591 0.3 . 1 . . . A 335 ALA CB . 18566 1 1312 . 1 1 114 114 ALA N N 15 130.084 0.13 . 1 . . . A 335 ALA N . 18566 1 1313 . 1 1 115 115 ASP H H 1 8.261 0.05 . 1 . . . A 336 ASP H . 18566 1 1314 . 1 1 115 115 ASP HA H 1 3.87 0.05 . 1 . . . A 336 ASP HA . 18566 1 1315 . 1 1 115 115 ASP HB2 H 1 2.525 0.05 . 2 . . . A 336 ASP HB2 . 18566 1 1316 . 1 1 115 115 ASP HB3 H 1 2.478 0.05 . 2 . . . A 336 ASP HB3 . 18566 1 1317 . 1 1 115 115 ASP C C 13 176.905 0.3 . 1 . . . A 336 ASP C . 18566 1 1318 . 1 1 115 115 ASP CA C 13 56.327 0.3 . 1 . . . A 336 ASP CA . 18566 1 1319 . 1 1 115 115 ASP CB C 13 42.063 0.3 . 1 . . . A 336 ASP CB . 18566 1 1320 . 1 1 115 115 ASP N N 15 117.804 0.13 . 1 . . . A 336 ASP N . 18566 1 1321 . 1 1 116 116 ALA H H 1 8.633 0.05 . 1 . . . A 337 ALA H . 18566 1 1322 . 1 1 116 116 ALA HA H 1 3.888 0.05 . 1 . . . A 337 ALA HA . 18566 1 1323 . 1 1 116 116 ALA HB1 H 1 1.573 0.05 . 1 . . . A 337 ALA HB1 . 18566 1 1324 . 1 1 116 116 ALA HB2 H 1 1.573 0.05 . 1 . . . A 337 ALA HB2 . 18566 1 1325 . 1 1 116 116 ALA HB3 H 1 1.573 0.05 . 1 . . . A 337 ALA HB3 . 18566 1 1326 . 1 1 116 116 ALA C C 13 175.844 0.3 . 1 . . . A 337 ALA C . 18566 1 1327 . 1 1 116 116 ALA CA C 13 54.235 0.3 . 1 . . . A 337 ALA CA . 18566 1 1328 . 1 1 116 116 ALA CB C 13 17.145 0.3 . 1 . . . A 337 ALA CB . 18566 1 1329 . 1 1 116 116 ALA N N 15 123.09 0.13 . 1 . . . A 337 ALA N . 18566 1 1330 . 1 1 117 117 MET H H 1 7.609 0.05 . 1 . . . A 338 MET H . 18566 1 1331 . 1 1 117 117 MET HA H 1 4.19 0.05 . 1 . . . A 338 MET HA . 18566 1 1332 . 1 1 117 117 MET HB2 H 1 2.147 0.05 . 1 . . . A 338 MET HB2 . 18566 1 1333 . 1 1 117 117 MET HB3 H 1 2.147 0.05 . 1 . . . A 338 MET HB3 . 18566 1 1334 . 1 1 117 117 MET HG2 H 1 2.82 0.05 . 1 . . . A 338 MET HG2 . 18566 1 1335 . 1 1 117 117 MET HG3 H 1 2.819 0.05 . 1 . . . A 338 MET HG3 . 18566 1 1336 . 1 1 117 117 MET C C 13 176.106 0.3 . 1 . . . A 338 MET C . 18566 1 1337 . 1 1 117 117 MET CA C 13 57.522 0.3 . 1 . . . A 338 MET CA . 18566 1 1338 . 1 1 117 117 MET CB C 13 35.982 0.3 . 1 . . . A 338 MET CB . 18566 1 1339 . 1 1 117 117 MET CG C 13 33.144 0.3 . 1 . . . A 338 MET CG . 18566 1 1340 . 1 1 117 117 MET N N 15 120.309 0.13 . 1 . . . A 338 MET N . 18566 1 1341 . 1 1 118 118 ALA H H 1 8.589 0.05 . 1 . . . A 339 ALA H . 18566 1 1342 . 1 1 118 118 ALA HA H 1 4.265 0.05 . 1 . . . A 339 ALA HA . 18566 1 1343 . 1 1 118 118 ALA HB1 H 1 1.462 0.05 . 1 . . . A 339 ALA HB1 . 18566 1 1344 . 1 1 118 118 ALA HB2 H 1 1.462 0.05 . 1 . . . A 339 ALA HB2 . 18566 1 1345 . 1 1 118 118 ALA HB3 H 1 1.462 0.05 . 1 . . . A 339 ALA HB3 . 18566 1 1346 . 1 1 118 118 ALA C C 13 176.376 0.3 . 1 . . . A 339 ALA C . 18566 1 1347 . 1 1 118 118 ALA CA C 13 53.739 0.3 . 1 . . . A 339 ALA CA . 18566 1 1348 . 1 1 118 118 ALA CB C 13 19.487 0.3 . 1 . . . A 339 ALA CB . 18566 1 1349 . 1 1 118 118 ALA N N 15 126.972 0.13 . 1 . . . A 339 ALA N . 18566 1 1350 . 1 1 119 119 VAL H H 1 7.714 0.05 . 1 . . . A 340 VAL H . 18566 1 1351 . 1 1 119 119 VAL HA H 1 4.733 0.05 . 1 . . . A 340 VAL HA . 18566 1 1352 . 1 1 119 119 VAL HB H 1 1.674 0.05 . 1 . . . A 340 VAL HB . 18566 1 1353 . 1 1 119 119 VAL HG11 H 1 0.529 0.05 . 2 . . . A 340 VAL HG11 . 18566 1 1354 . 1 1 119 119 VAL HG12 H 1 0.529 0.05 . 2 . . . A 340 VAL HG12 . 18566 1 1355 . 1 1 119 119 VAL HG13 H 1 0.529 0.05 . 2 . . . A 340 VAL HG13 . 18566 1 1356 . 1 1 119 119 VAL HG21 H 1 0.98 0.05 . 2 . . . A 340 VAL HG21 . 18566 1 1357 . 1 1 119 119 VAL HG22 H 1 0.98 0.05 . 2 . . . A 340 VAL HG22 . 18566 1 1358 . 1 1 119 119 VAL HG23 H 1 0.98 0.05 . 2 . . . A 340 VAL HG23 . 18566 1 1359 . 1 1 119 119 VAL C C 13 175.076 0.3 . 1 . . . A 340 VAL C . 18566 1 1360 . 1 1 119 119 VAL CA C 13 60.584 0.3 . 1 . . . A 340 VAL CA . 18566 1 1361 . 1 1 119 119 VAL CB C 13 33.099 0.3 . 1 . . . A 340 VAL CB . 18566 1 1362 . 1 1 119 119 VAL CG1 C 13 20.946 0.3 . 2 . . . A 340 VAL CG1 . 18566 1 1363 . 1 1 119 119 VAL CG2 C 13 22.69 0.3 . 2 . . . A 340 VAL CG2 . 18566 1 1364 . 1 1 119 119 VAL N N 15 121.103 0.13 . 1 . . . A 340 VAL N . 18566 1 1365 . 1 1 120 120 ASN H H 1 8.869 0.05 . 1 . . . A 341 ASN H . 18566 1 1366 . 1 1 120 120 ASN HA H 1 5.068 0.05 . 1 . . . A 341 ASN HA . 18566 1 1367 . 1 1 120 120 ASN HB2 H 1 2.521 0.05 . 1 . . . A 341 ASN HB2 . 18566 1 1368 . 1 1 120 120 ASN HB3 H 1 2.609 0.05 . 1 . . . A 341 ASN HB3 . 18566 1 1369 . 1 1 120 120 ASN HD21 H 1 6.741 0.05 . 1 . . . A 341 ASN HD21 . 18566 1 1370 . 1 1 120 120 ASN HD22 H 1 7.425 0.05 . 1 . . . A 341 ASN HD22 . 18566 1 1371 . 1 1 120 120 ASN C C 13 173.755 0.3 . 1 . . . A 341 ASN C . 18566 1 1372 . 1 1 120 120 ASN CA C 13 51.859 0.3 . 1 . . . A 341 ASN CA . 18566 1 1373 . 1 1 120 120 ASN CB C 13 41.195 0.3 . 1 . . . A 341 ASN CB . 18566 1 1374 . 1 1 120 120 ASN N N 15 126.068 0.13 . 1 . . . A 341 ASN N . 18566 1 1375 . 1 1 120 120 ASN ND2 N 15 112.591 0.13 . 1 . . . A 341 ASN ND2 . 18566 1 1376 . 1 1 121 121 ILE H H 1 8.385 0.05 . 1 . . . A 342 ILE H . 18566 1 1377 . 1 1 121 121 ILE HA H 1 4.561 0.05 . 1 . . . A 342 ILE HA . 18566 1 1378 . 1 1 121 121 ILE HB H 1 1.724 0.05 . 1 . . . A 342 ILE HB . 18566 1 1379 . 1 1 121 121 ILE HG12 H 1 0.971 0.05 . 2 . . . A 342 ILE HG12 . 18566 1 1380 . 1 1 121 121 ILE HG13 H 1 1.508 0.05 . 2 . . . A 342 ILE HG13 . 18566 1 1381 . 1 1 121 121 ILE HG21 H 1 0.916 0.05 . 1 . . . A 342 ILE HG21 . 18566 1 1382 . 1 1 121 121 ILE HG22 H 1 0.916 0.05 . 1 . . . A 342 ILE HG22 . 18566 1 1383 . 1 1 121 121 ILE HG23 H 1 0.916 0.05 . 1 . . . A 342 ILE HG23 . 18566 1 1384 . 1 1 121 121 ILE HD11 H 1 0.83 0.05 . 1 . . . A 342 ILE HD11 . 18566 1 1385 . 1 1 121 121 ILE HD12 H 1 0.83 0.05 . 1 . . . A 342 ILE HD12 . 18566 1 1386 . 1 1 121 121 ILE HD13 H 1 0.83 0.05 . 1 . . . A 342 ILE HD13 . 18566 1 1387 . 1 1 121 121 ILE C C 13 175.901 0.3 . 1 . . . A 342 ILE C . 18566 1 1388 . 1 1 121 121 ILE CA C 13 60.801 0.3 . 1 . . . A 342 ILE CA . 18566 1 1389 . 1 1 121 121 ILE CB C 13 39.05 0.3 . 1 . . . A 342 ILE CB . 18566 1 1390 . 1 1 121 121 ILE CG1 C 13 27.949 0.3 . 1 . . . A 342 ILE CG1 . 18566 1 1391 . 1 1 121 121 ILE CG2 C 13 17.776 0.3 . 1 . . . A 342 ILE CG2 . 18566 1 1392 . 1 1 121 121 ILE CD1 C 13 13.741 0.3 . 1 . . . A 342 ILE CD1 . 18566 1 1393 . 1 1 121 121 ILE N N 15 122.721 0.13 . 1 . . . A 342 ILE N . 18566 1 1394 . 1 1 122 122 LEU H H 1 8.879 0.05 . 1 . . . A 343 LEU H . 18566 1 1395 . 1 1 122 122 LEU HA H 1 4.435 0.05 . 1 . . . A 343 LEU HA . 18566 1 1396 . 1 1 122 122 LEU HB2 H 1 1.585 0.05 . 2 . . . A 343 LEU HB2 . 18566 1 1397 . 1 1 122 122 LEU HB3 H 1 1.58 0.05 . 2 . . . A 343 LEU HB3 . 18566 1 1398 . 1 1 122 122 LEU HG H 1 1.55 0.05 . 1 . . . A 343 LEU HG . 18566 1 1399 . 1 1 122 122 LEU HD11 H 1 0.801 0.05 . 2 . . . A 343 LEU HD11 . 18566 1 1400 . 1 1 122 122 LEU HD12 H 1 0.801 0.05 . 2 . . . A 343 LEU HD12 . 18566 1 1401 . 1 1 122 122 LEU HD13 H 1 0.801 0.05 . 2 . . . A 343 LEU HD13 . 18566 1 1402 . 1 1 122 122 LEU HD21 H 1 0.809 0.05 . 2 . . . A 343 LEU HD21 . 18566 1 1403 . 1 1 122 122 LEU HD22 H 1 0.809 0.05 . 2 . . . A 343 LEU HD22 . 18566 1 1404 . 1 1 122 122 LEU HD23 H 1 0.809 0.05 . 2 . . . A 343 LEU HD23 . 18566 1 1405 . 1 1 122 122 LEU C C 13 176.441 0.3 . 1 . . . A 343 LEU C . 18566 1 1406 . 1 1 122 122 LEU CA C 13 55.152 0.3 . 1 . . . A 343 LEU CA . 18566 1 1407 . 1 1 122 122 LEU CB C 13 42.434 0.3 . 1 . . . A 343 LEU CB . 18566 1 1408 . 1 1 122 122 LEU CG C 13 27.865 0.3 . 1 . . . A 343 LEU CG . 18566 1 1409 . 1 1 122 122 LEU CD1 C 13 24.166 0.3 . 2 . . . A 343 LEU CD1 . 18566 1 1410 . 1 1 122 122 LEU CD2 C 13 25.201 0.3 . 2 . . . A 343 LEU CD2 . 18566 1 1411 . 1 1 122 122 LEU N N 15 129.303 0.13 . 1 . . . A 343 LEU N . 18566 1 1412 . 1 1 123 123 ASN H H 1 8.46 0.05 . 1 . . . A 344 ASN H . 18566 1 1413 . 1 1 123 123 ASN HA H 1 4.826 0.05 . 1 . . . A 344 ASN HA . 18566 1 1414 . 1 1 123 123 ASN HB2 H 1 2.803 0.05 . 2 . . . A 344 ASN HB2 . 18566 1 1415 . 1 1 123 123 ASN HB3 H 1 2.735 0.05 . 2 . . . A 344 ASN HB3 . 18566 1 1416 . 1 1 123 123 ASN C C 13 174.207 0.3 . 1 . . . A 344 ASN C . 18566 1 1417 . 1 1 123 123 ASN CA C 13 53.318 0.3 . 1 . . . A 344 ASN CA . 18566 1 1418 . 1 1 123 123 ASN CB C 13 39.093 0.3 . 1 . . . A 344 ASN CB . 18566 1 1419 . 1 1 123 123 ASN N N 15 120.564 0.13 . 1 . . . A 344 ASN N . 18566 1 1420 . 1 1 124 124 VAL H H 1 7.673 0.05 . 1 . . . A 345 VAL H . 18566 1 1421 . 1 1 124 124 VAL HA H 1 4.094 0.05 . 1 . . . A 345 VAL HA . 18566 1 1422 . 1 1 124 124 VAL HB H 1 2.129 0.05 . 1 . . . A 345 VAL HB . 18566 1 1423 . 1 1 124 124 VAL HG11 H 1 0.92 0.05 . 2 . . . A 345 VAL HG11 . 18566 1 1424 . 1 1 124 124 VAL HG12 H 1 0.92 0.05 . 2 . . . A 345 VAL HG12 . 18566 1 1425 . 1 1 124 124 VAL HG13 H 1 0.92 0.05 . 2 . . . A 345 VAL HG13 . 18566 1 1426 . 1 1 124 124 VAL HG21 H 1 0.932 0.05 . 2 . . . A 345 VAL HG21 . 18566 1 1427 . 1 1 124 124 VAL HG22 H 1 0.932 0.05 . 2 . . . A 345 VAL HG22 . 18566 1 1428 . 1 1 124 124 VAL HG23 H 1 0.932 0.05 . 2 . . . A 345 VAL HG23 . 18566 1 1429 . 1 1 124 124 VAL C C 13 180.816 0.3 . 1 . . . A 345 VAL C . 18566 1 1430 . 1 1 124 124 VAL CA C 13 63.499 0.3 . 1 . . . A 345 VAL CA . 18566 1 1431 . 1 1 124 124 VAL CB C 13 33.396 0.3 . 1 . . . A 345 VAL CB . 18566 1 1432 . 1 1 124 124 VAL CG1 C 13 21.633 0.3 . 2 . . . A 345 VAL CG1 . 18566 1 1433 . 1 1 124 124 VAL CG2 C 13 20.117 0.3 . 2 . . . A 345 VAL CG2 . 18566 1 1434 . 1 1 124 124 VAL N N 15 123.58 0.13 . 1 . . . A 345 VAL N . 18566 1 stop_ save_