data_17575 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17575 _Entry.Title ; solution structure of the C domain of Rv0899 from mycobacterium tuberculosis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-06 _Entry.Accession_date 2011-04-06 _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 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yong Yao . . . 17575 2 Francesca Marassi . . . 17575 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17575 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID rv0899 . 17575 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17575 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 350 17575 '15N chemical shifts' 129 17575 '1H chemical shifts' 795 17575 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-03-08 2011-04-06 update BMRB 'update entry citation' 17575 1 . . 2012-01-04 2011-04-06 original author 'original release' 17575 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LBT 'BMRB Entry Tracking System' 17575 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17575 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22206986 _Citation.Full_citation . _Citation.Title 'Molecular Structure and Peptidoglycan Recognition of Mycobacterium tuberculosis ArfA (Rv0899).' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 416 _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 208 _Citation.Page_last 220 _Citation.Year 2012 _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 Yong Yao . . . 17575 1 2 Neha Barghava . . . 17575 1 3 Johnny Kim . . . 17575 1 4 Michael Niederweis . . . 17575 1 5 Francesca Marassi . M. . 17575 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17575 _Assembly.ID 1 _Assembly.Name 'C domain of Rv0899' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'C domain of Rv0899' 1 $entity A . yes native no no . . . 17575 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17575 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GQAPPGPPASGPCADLQSAI NAVTGGPIAFGNDGASLIPA AYEILNRVADKLKACPDARV TINGYTDNTGSEGINIPLSA QRAKIVADYLVARGVAGDHI ATVGLGSVNPIASNATPEGR AKNRRVEIVVNHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'Disulfide Bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14052.831 _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 BMRB 16237 . "amino-terminal domain" . . . . . 95.62 254 99.24 99.24 1.63e-84 . . . . 17575 1 2 no BMRB 17863 . Rv0899 . . . . . 101.46 284 97.84 97.84 1.33e-88 . . . . 17575 1 3 no PDB 2KGW . "Solution Structure Of The Carboxy-Terminal Domain Of Ompatb, A Pore Forming Protein From Mycobacterium Tuberculosis" . . . . . 94.16 129 99.22 99.22 5.63e-83 . . . . 17575 1 4 no PDB 2L26 . "Rv0899 From Mycobacterium Tuberculosis Contains Two Separated Domains" . . . . . 101.46 284 97.84 97.84 1.33e-88 . . . . 17575 1 5 no PDB 2LBT . "Solution Structure Of The C Domain Of Rv0899(D236a) From Mycobacterium Tuberculosis" . . . . . 100.00 137 100.00 100.00 2.71e-91 . . . . 17575 1 6 no PDB 2LCA . "Solution Structure Of The C Domain Of Rv0899 From Mycobacterium Tuberculosis" . . . . . 100.00 137 99.27 99.27 2.38e-90 . . . . 17575 1 7 no DBJ BAH25212 . "putative outer membrane protein A [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 95.62 326 99.24 99.24 1.46e-83 . . . . 17575 1 8 no DBJ BAL64801 . "outer membrane protein A [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 95.62 320 99.24 99.24 1.39e-83 . . . . 17575 1 9 no DBJ BAQ04819 . "outer membrane protein A [Mycobacterium tuberculosis str. Kurono]" . . . . . 95.62 291 99.24 99.24 4.95e-84 . . . . 17575 1 10 no DBJ GAA44658 . "outer membrane protein A [Mycobacterium tuberculosis NCGM2209]" . . . . . 95.62 320 99.24 99.24 1.39e-83 . . . . 17575 1 11 no EMBL CAL70937 . "probable outer membrane protein A ompA [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 95.62 326 99.24 99.24 1.46e-83 . . . . 17575 1 12 no EMBL CCC25980 . "outer membrane protein A OMPA [Mycobacterium africanum GM041182]" . . . . . 95.62 326 99.24 99.24 1.46e-83 . . . . 17575 1 13 no EMBL CCC43237 . "OUTER membrane protein A OMPA [Mycobacterium canettii CIPT 140010059]" . . . . . 95.62 326 99.24 99.24 1.53e-83 . . . . 17575 1 14 no EMBL CCC63509 . "probable outer membrane protein A ompA [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 95.62 326 99.24 99.24 1.46e-83 . . . . 17575 1 15 no EMBL CCE36433 . "ompA [Mycobacterium tuberculosis UT205]" . . . . . 95.62 326 99.24 99.24 1.46e-83 . . . . 17575 1 16 no GB AAK45169 . "OmpA family protein [Mycobacterium tuberculosis CDC1551]" . . . . . 95.62 326 99.24 99.24 1.46e-83 . . . . 17575 1 17 no GB ABI54278 . "outer membrane protein A [Mycobacterium bovis]" . . . . . 95.62 326 99.24 99.24 1.46e-83 . . . . 17575 1 18 no GB ABQ72638 . "outer membrane protein A [Mycobacterium tuberculosis H37Ra]" . . . . . 95.62 326 99.24 99.24 1.46e-83 . . . . 17575 1 19 no GB ABR05261 . "outer membrane protein A ompA [Mycobacterium tuberculosis F11]" . . . . . 95.62 326 99.24 99.24 1.46e-83 . . . . 17575 1 20 no GB ACT26182 . "outer membrane protein A ompA [Mycobacterium tuberculosis KZN 1435]" . . . . . 95.62 326 99.24 99.24 1.46e-83 . . . . 17575 1 21 no REF NP_215414 . "peptidoglycan-binding protein ArfA [Mycobacterium tuberculosis H37Rv]" . . . . . 95.62 326 99.24 99.24 1.46e-83 . . . . 17575 1 22 no REF NP_854580 . "outer membrane protein OmpA [Mycobacterium bovis AF2122/97]" . . . . . 95.62 326 99.24 99.24 1.46e-83 . . . . 17575 1 23 no REF WP_003404684 . "MULTISPECIES: peptidoglycan-binding protein [Mycobacterium]" . . . . . 95.62 326 99.24 99.24 1.46e-83 . . . . 17575 1 24 no REF WP_003915129 . "membrane protein [Mycobacterium tuberculosis]" . . . . . 95.62 320 99.24 99.24 1.39e-83 . . . . 17575 1 25 no REF WP_014000491 . "peptidoglycan-binding protein [Mycobacterium canettii]" . . . . . 95.62 326 99.24 99.24 1.53e-83 . . . . 17575 1 26 no SP A1KH31 . "RecName: Full=Peptidoglycan-binding protein ArfA; AltName: Full=Outer membrane protein A; Short=OmpATb; AltName: Full=Outer mem" . . . . . 95.62 326 99.24 99.24 1.46e-83 . . . . 17575 1 27 no SP P65594 . "RecName: Full=Peptidoglycan-binding protein ArfA; AltName: Full=Outer membrane protein ArfA" . . . . . 95.62 326 99.24 99.24 1.46e-83 . . . . 17575 1 28 no SP P9WIU4 . "RecName: Full=Peptidoglycan-binding protein ArfA; AltName: Full=Outer membrane porin A; AltName: Full=Outer membrane protein A;" . . . . . 95.62 326 99.24 99.24 1.46e-83 . . . . 17575 1 29 no SP P9WIU5 . "RecName: Full=Peptidoglycan-binding protein ArfA; AltName: Full=Outer membrane porin A; AltName: Full=Outer membrane protein A;" . . . . . 95.62 326 99.24 99.24 1.46e-83 . . . . 17575 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 1 196 GLY . 17575 1 2 197 GLN . 17575 1 3 198 ALA . 17575 1 4 199 PRO . 17575 1 5 200 PRO . 17575 1 6 201 GLY . 17575 1 7 202 PRO . 17575 1 8 203 PRO . 17575 1 9 204 ALA . 17575 1 10 205 SER . 17575 1 11 206 GLY . 17575 1 12 207 PRO . 17575 1 13 208 CYS . 17575 1 14 209 ALA . 17575 1 15 210 ASP . 17575 1 16 211 LEU . 17575 1 17 212 GLN . 17575 1 18 213 SER . 17575 1 19 214 ALA . 17575 1 20 215 ILE . 17575 1 21 216 ASN . 17575 1 22 217 ALA . 17575 1 23 218 VAL . 17575 1 24 219 THR . 17575 1 25 220 GLY . 17575 1 26 221 GLY . 17575 1 27 222 PRO . 17575 1 28 223 ILE . 17575 1 29 224 ALA . 17575 1 30 225 PHE . 17575 1 31 226 GLY . 17575 1 32 227 ASN . 17575 1 33 228 ASP . 17575 1 34 229 GLY . 17575 1 35 230 ALA . 17575 1 36 231 SER . 17575 1 37 232 LEU . 17575 1 38 233 ILE . 17575 1 39 234 PRO . 17575 1 40 235 ALA . 17575 1 41 236 ALA . 17575 1 42 237 TYR . 17575 1 43 238 GLU . 17575 1 44 239 ILE . 17575 1 45 240 LEU . 17575 1 46 241 ASN . 17575 1 47 242 ARG . 17575 1 48 243 VAL . 17575 1 49 244 ALA . 17575 1 50 245 ASP . 17575 1 51 246 LYS . 17575 1 52 247 LEU . 17575 1 53 248 LYS . 17575 1 54 249 ALA . 17575 1 55 250 CYS . 17575 1 56 251 PRO . 17575 1 57 252 ASP . 17575 1 58 253 ALA . 17575 1 59 254 ARG . 17575 1 60 255 VAL . 17575 1 61 256 THR . 17575 1 62 257 ILE . 17575 1 63 258 ASN . 17575 1 64 259 GLY . 17575 1 65 260 TYR . 17575 1 66 261 THR . 17575 1 67 262 ASP . 17575 1 68 263 ASN . 17575 1 69 264 THR . 17575 1 70 265 GLY . 17575 1 71 266 SER . 17575 1 72 267 GLU . 17575 1 73 268 GLY . 17575 1 74 269 ILE . 17575 1 75 270 ASN . 17575 1 76 271 ILE . 17575 1 77 272 PRO . 17575 1 78 273 LEU . 17575 1 79 274 SER . 17575 1 80 275 ALA . 17575 1 81 276 GLN . 17575 1 82 277 ARG . 17575 1 83 278 ALA . 17575 1 84 279 LYS . 17575 1 85 280 ILE . 17575 1 86 281 VAL . 17575 1 87 282 ALA . 17575 1 88 283 ASP . 17575 1 89 284 TYR . 17575 1 90 285 LEU . 17575 1 91 286 VAL . 17575 1 92 287 ALA . 17575 1 93 288 ARG . 17575 1 94 289 GLY . 17575 1 95 290 VAL . 17575 1 96 291 ALA . 17575 1 97 292 GLY . 17575 1 98 293 ASP . 17575 1 99 294 HIS . 17575 1 100 295 ILE . 17575 1 101 296 ALA . 17575 1 102 297 THR . 17575 1 103 298 VAL . 17575 1 104 299 GLY . 17575 1 105 300 LEU . 17575 1 106 301 GLY . 17575 1 107 302 SER . 17575 1 108 303 VAL . 17575 1 109 304 ASN . 17575 1 110 305 PRO . 17575 1 111 306 ILE . 17575 1 112 307 ALA . 17575 1 113 308 SER . 17575 1 114 309 ASN . 17575 1 115 310 ALA . 17575 1 116 311 THR . 17575 1 117 312 PRO . 17575 1 118 313 GLU . 17575 1 119 314 GLY . 17575 1 120 315 ARG . 17575 1 121 316 ALA . 17575 1 122 317 LYS . 17575 1 123 318 ASN . 17575 1 124 319 ARG . 17575 1 125 320 ARG . 17575 1 126 321 VAL . 17575 1 127 322 GLU . 17575 1 128 323 ILE . 17575 1 129 324 VAL . 17575 1 130 325 VAL . 17575 1 131 326 ASN . 17575 1 132 327 HIS . 17575 1 133 328 HIS . 17575 1 134 329 HIS . 17575 1 135 330 HIS . 17575 1 136 331 HIS . 17575 1 137 332 HIS . 17575 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 17575 1 . GLN 2 2 17575 1 . ALA 3 3 17575 1 . PRO 4 4 17575 1 . PRO 5 5 17575 1 . GLY 6 6 17575 1 . PRO 7 7 17575 1 . PRO 8 8 17575 1 . ALA 9 9 17575 1 . SER 10 10 17575 1 . GLY 11 11 17575 1 . PRO 12 12 17575 1 . CYS 13 13 17575 1 . ALA 14 14 17575 1 . ASP 15 15 17575 1 . LEU 16 16 17575 1 . GLN 17 17 17575 1 . SER 18 18 17575 1 . ALA 19 19 17575 1 . ILE 20 20 17575 1 . ASN 21 21 17575 1 . ALA 22 22 17575 1 . VAL 23 23 17575 1 . THR 24 24 17575 1 . GLY 25 25 17575 1 . GLY 26 26 17575 1 . PRO 27 27 17575 1 . ILE 28 28 17575 1 . ALA 29 29 17575 1 . PHE 30 30 17575 1 . GLY 31 31 17575 1 . ASN 32 32 17575 1 . ASP 33 33 17575 1 . GLY 34 34 17575 1 . ALA 35 35 17575 1 . SER 36 36 17575 1 . LEU 37 37 17575 1 . ILE 38 38 17575 1 . PRO 39 39 17575 1 . ALA 40 40 17575 1 . ALA 41 41 17575 1 . TYR 42 42 17575 1 . GLU 43 43 17575 1 . ILE 44 44 17575 1 . LEU 45 45 17575 1 . ASN 46 46 17575 1 . ARG 47 47 17575 1 . VAL 48 48 17575 1 . ALA 49 49 17575 1 . ASP 50 50 17575 1 . LYS 51 51 17575 1 . LEU 52 52 17575 1 . LYS 53 53 17575 1 . ALA 54 54 17575 1 . CYS 55 55 17575 1 . PRO 56 56 17575 1 . ASP 57 57 17575 1 . ALA 58 58 17575 1 . ARG 59 59 17575 1 . VAL 60 60 17575 1 . THR 61 61 17575 1 . ILE 62 62 17575 1 . ASN 63 63 17575 1 . GLY 64 64 17575 1 . TYR 65 65 17575 1 . THR 66 66 17575 1 . ASP 67 67 17575 1 . ASN 68 68 17575 1 . THR 69 69 17575 1 . GLY 70 70 17575 1 . SER 71 71 17575 1 . GLU 72 72 17575 1 . GLY 73 73 17575 1 . ILE 74 74 17575 1 . ASN 75 75 17575 1 . ILE 76 76 17575 1 . PRO 77 77 17575 1 . LEU 78 78 17575 1 . SER 79 79 17575 1 . ALA 80 80 17575 1 . GLN 81 81 17575 1 . ARG 82 82 17575 1 . ALA 83 83 17575 1 . LYS 84 84 17575 1 . ILE 85 85 17575 1 . VAL 86 86 17575 1 . ALA 87 87 17575 1 . ASP 88 88 17575 1 . TYR 89 89 17575 1 . LEU 90 90 17575 1 . VAL 91 91 17575 1 . ALA 92 92 17575 1 . ARG 93 93 17575 1 . GLY 94 94 17575 1 . VAL 95 95 17575 1 . ALA 96 96 17575 1 . GLY 97 97 17575 1 . ASP 98 98 17575 1 . HIS 99 99 17575 1 . ILE 100 100 17575 1 . ALA 101 101 17575 1 . THR 102 102 17575 1 . VAL 103 103 17575 1 . GLY 104 104 17575 1 . LEU 105 105 17575 1 . GLY 106 106 17575 1 . SER 107 107 17575 1 . VAL 108 108 17575 1 . ASN 109 109 17575 1 . PRO 110 110 17575 1 . ILE 111 111 17575 1 . ALA 112 112 17575 1 . SER 113 113 17575 1 . ASN 114 114 17575 1 . ALA 115 115 17575 1 . THR 116 116 17575 1 . PRO 117 117 17575 1 . GLU 118 118 17575 1 . GLY 119 119 17575 1 . ARG 120 120 17575 1 . ALA 121 121 17575 1 . LYS 122 122 17575 1 . ASN 123 123 17575 1 . ARG 124 124 17575 1 . ARG 125 125 17575 1 . VAL 126 126 17575 1 . GLU 127 127 17575 1 . ILE 128 128 17575 1 . VAL 129 129 17575 1 . VAL 130 130 17575 1 . ASN 131 131 17575 1 . HIS 132 132 17575 1 . HIS 133 133 17575 1 . HIS 134 134 17575 1 . HIS 135 135 17575 1 . HIS 136 136 17575 1 . HIS 137 137 17575 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 17575 _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 $entity . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . . . . . . . . . 17575 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 17575 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet21b . . . . . . 17575 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17575 _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 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 17575 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17575 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17575 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17575 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 17575 1 pressure 1 . atm 17575 1 temperature 298 . K 17575 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17575 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17575 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17575 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17575 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17575 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17575 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 17575 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17575 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17575 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17575 1 4 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17575 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17575 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17575 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17575 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17575 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17575 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17575 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17575 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17575 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17575 1 2 '3D HNCACB' . . . 17575 1 3 '3D C(CO)NH' . . . 17575 1 4 '3D H(CCO)NH' . . . 17575 1 5 '3D HCCH-TOCSY' . . . 17575 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 GLN HA H 1 4.3770 0.005 . 1 . . . A 197 GLN HA . 17575 1 2 . 1 1 2 2 GLN HB2 H 1 2.0170 0.005 . 2 . . . . 197 GLN HB2 . 17575 1 3 . 1 1 2 2 GLN HB3 H 1 2.0170 0.005 . 2 . . . A 197 GLN HB2 . 17575 1 4 . 1 1 2 2 GLN HG2 H 1 2.3700 0.005 . 2 . . . . 197 GLN HG2 . 17575 1 5 . 1 1 2 2 GLN HG3 H 1 2.3700 0.005 . 2 . . . A 197 GLN HG2 . 17575 1 6 . 1 1 2 2 GLN HE21 H 1 6.8710 0.005 . 2 . . . A 197 GLN HE21 . 17575 1 7 . 1 1 2 2 GLN HE22 H 1 7.5930 0.005 . 2 . . . A 197 GLN HE22 . 17575 1 8 . 1 1 2 2 GLN CA C 13 55.4390 0.1 . 1 . . . A 197 GLN CA . 17575 1 9 . 1 1 2 2 GLN CB C 13 29.7610 0.1 . 1 . . . A 197 GLN CB . 17575 1 10 . 1 1 2 2 GLN CG C 13 33.7840 0.1 . 1 . . . A 197 GLN CG . 17575 1 11 . 1 1 2 2 GLN NE2 N 15 112.5620 0.1 . 1 . . . A 197 GLN NE2 . 17575 1 12 . 1 1 3 3 ALA H H 1 8.5240 0.005 . 1 . . . . 198 ALA H . 17575 1 13 . 1 1 3 3 ALA CA C 13 50.3440 0.1 . 1 . . . A 198 ALA CA . 17575 1 14 . 1 1 3 3 ALA CB C 13 17.6590 0.1 . 1 . . . A 198 ALA CB . 17575 1 15 . 1 1 3 3 ALA N N 15 127.8870 0.1 . 1 . . . A 198 ALA N . 17575 1 16 . 1 1 5 5 PRO HA H 1 4.4320 0.005 . 1 . . . A 200 PRO HA . 17575 1 17 . 1 1 5 5 PRO HB2 H 1 1.9800 0.005 . 2 . . . . 200 PRO HB2 . 17575 1 18 . 1 1 5 5 PRO HB3 H 1 1.9800 0.005 . 2 . . . A 200 PRO HB2 . 17575 1 19 . 1 1 5 5 PRO HG2 H 1 2.2870 0.005 . 2 . . . . 200 PRO HG2 . 17575 1 20 . 1 1 5 5 PRO HG3 H 1 2.2870 0.005 . 2 . . . A 200 PRO HG2 . 17575 1 21 . 1 1 5 5 PRO HD2 H 1 3.7230 0.005 . 2 . . . . 200 PRO HD2 . 17575 1 22 . 1 1 5 5 PRO HD3 H 1 3.7230 0.005 . 2 . . . A 200 PRO HD2 . 17575 1 23 . 1 1 5 5 PRO CA C 13 63.1020 0.1 . 1 . . . A 200 PRO CA . 17575 1 24 . 1 1 5 5 PRO CB C 13 32.0360 0.1 . 1 . . . A 200 PRO CB . 17575 1 25 . 1 1 5 5 PRO CG C 13 26.8720 0.1 . 1 . . . A 200 PRO CG . 17575 1 26 . 1 1 5 5 PRO CD C 13 50.1340 0.1 . 1 . . . A 200 PRO CD . 17575 1 27 . 1 1 6 6 GLY H H 1 8.1990 0.005 . 1 . . . . 201 GLY H . 17575 1 28 . 1 1 6 6 GLY HA2 H 1 3.9420 0.005 . 2 . . . A 201 GLY HA2 . 17575 1 29 . 1 1 6 6 GLY HA3 H 1 4.1530 0.005 . 2 . . . A 201 GLY HA3 . 17575 1 30 . 1 1 6 6 GLY CA C 13 44.2500 0.1 . 1 . . . A 201 GLY CA . 17575 1 31 . 1 1 6 6 GLY N N 15 108.9790 0.1 . 1 . . . A 201 GLY N . 17575 1 32 . 1 1 8 8 PRO HA H 1 4.4160 0.005 . 1 . . . A 203 PRO HA . 17575 1 33 . 1 1 8 8 PRO HB2 H 1 1.9550 0.005 . 2 . . . . 203 PRO HB2 . 17575 1 34 . 1 1 8 8 PRO HB3 H 1 1.9550 0.005 . 2 . . . A 203 PRO HB2 . 17575 1 35 . 1 1 8 8 PRO HG2 H 1 2.2970 0.005 . 2 . . . . 203 PRO HG2 . 17575 1 36 . 1 1 8 8 PRO HG3 H 1 2.2970 0.005 . 2 . . . A 203 PRO HG2 . 17575 1 37 . 1 1 8 8 PRO CA C 13 62.6770 0.1 . 1 . . . A 203 PRO CA . 17575 1 38 . 1 1 8 8 PRO CB C 13 31.7060 0.1 . 1 . . . A 203 PRO CB . 17575 1 39 . 1 1 8 8 PRO CG C 13 26.9440 0.1 . 1 . . . A 203 PRO CG . 17575 1 40 . 1 1 8 8 PRO CD C 13 50.2150 0.1 . 1 . . . A 203 PRO CD . 17575 1 41 . 1 1 9 9 ALA H H 1 8.4650 0.005 . 1 . . . . 204 ALA H . 17575 1 42 . 1 1 9 9 ALA HA H 1 4.3060 0.005 . 1 . . . A 204 ALA HA . 17575 1 43 . 1 1 9 9 ALA HB1 H 1 1.3860 0.005 . 1 . . . A 204 ALA HB1 . 17575 1 44 . 1 1 9 9 ALA HB2 H 1 1.3860 0.005 . 1 . . . A 204 ALA HB1 . 17575 1 45 . 1 1 9 9 ALA HB3 H 1 1.3860 0.005 . 1 . . . A 204 ALA HB1 . 17575 1 46 . 1 1 9 9 ALA CA C 13 52.2480 0.1 . 1 . . . A 204 ALA CA . 17575 1 47 . 1 1 9 9 ALA CB C 13 19.0190 0.1 . 1 . . . A 204 ALA CB . 17575 1 48 . 1 1 9 9 ALA N N 15 124.3490 0.1 . 1 . . . A 204 ALA N . 17575 1 49 . 1 1 10 10 SER H H 1 8.2000 0.005 . 1 . . . . 205 SER H . 17575 1 50 . 1 1 10 10 SER HA H 1 4.4990 0.005 . 1 . . . A 205 SER HA . 17575 1 51 . 1 1 10 10 SER HB2 H 1 3.8500 0.005 . 2 . . . . 205 SER HB2 . 17575 1 52 . 1 1 10 10 SER HB3 H 1 3.8500 0.005 . 2 . . . A 205 SER HB2 . 17575 1 53 . 1 1 10 10 SER CA C 13 57.7310 0.1 . 1 . . . A 205 SER CA . 17575 1 54 . 1 1 10 10 SER CB C 13 64.4000 0.1 . 1 . . . A 205 SER CB . 17575 1 55 . 1 1 10 10 SER N N 15 114.2330 0.1 . 1 . . . A 205 SER N . 17575 1 56 . 1 1 11 11 GLY H H 1 8.3880 0.005 . 1 . . . . 206 GLY H . 17575 1 57 . 1 1 11 11 GLY CA C 13 44.9150 0.1 . 1 . . . A 206 GLY CA . 17575 1 58 . 1 1 11 11 GLY N N 15 110.3710 0.1 . 1 . . . A 206 GLY N . 17575 1 59 . 1 1 13 13 CYS H H 1 8.6150 0.005 . 1 . . . . 208 CYS H . 17575 1 60 . 1 1 13 13 CYS HA H 1 4.6850 0.005 . 1 . . . A 208 CYS HA . 17575 1 61 . 1 1 13 13 CYS HB2 H 1 3.1890 0.005 . 2 . . . . 208 CYS HB2 . 17575 1 62 . 1 1 13 13 CYS HB3 H 1 2.8930 0.005 . 2 . . . A 208 CYS HB2 . 17575 1 63 . 1 1 13 13 CYS CA C 13 54.4860 0.1 . 1 . . . A 208 CYS CA . 17575 1 64 . 1 1 13 13 CYS CB C 13 40.7300 0.1 . 1 . . . A 208 CYS CB . 17575 1 65 . 1 1 13 13 CYS N N 15 116.1660 0.1 . 1 . . . A 208 CYS N . 17575 1 66 . 1 1 14 14 ALA H H 1 7.5690 0.005 . 1 . . . . 209 ALA H . 17575 1 67 . 1 1 14 14 ALA HA H 1 4.1200 0.005 . 1 . . . A 209 ALA HA . 17575 1 68 . 1 1 14 14 ALA HB1 H 1 1.3230 0.005 . 1 . . . A 209 ALA HB1 . 17575 1 69 . 1 1 14 14 ALA HB2 H 1 1.3230 0.005 . 1 . . . A 209 ALA HB1 . 17575 1 70 . 1 1 14 14 ALA HB3 H 1 1.3230 0.005 . 1 . . . A 209 ALA HB1 . 17575 1 71 . 1 1 14 14 ALA CA C 13 53.5100 0.1 . 1 . . . A 209 ALA CA . 17575 1 72 . 1 1 14 14 ALA CB C 13 18.8280 0.1 . 1 . . . A 209 ALA CB . 17575 1 73 . 1 1 14 14 ALA N N 15 123.8970 0.1 . 1 . . . A 209 ALA N . 17575 1 74 . 1 1 15 15 ASP H H 1 8.4860 0.005 . 1 . . . . 210 ASP H . 17575 1 75 . 1 1 15 15 ASP HA H 1 4.7100 0.005 . 1 . . . A 210 ASP HA . 17575 1 76 . 1 1 15 15 ASP HB2 H 1 2.8840 0.005 . 2 . . . . 210 ASP HB2 . 17575 1 77 . 1 1 15 15 ASP HB3 H 1 2.4980 0.005 . 2 . . . A 210 ASP HB2 . 17575 1 78 . 1 1 15 15 ASP CA C 13 53.2930 0.1 . 1 . . . A 210 ASP CA . 17575 1 79 . 1 1 15 15 ASP CB C 13 39.7300 0.1 . 1 . . . A 210 ASP CB . 17575 1 80 . 1 1 15 15 ASP N N 15 119.6300 0.1 . 1 . . . A 210 ASP N . 17575 1 81 . 1 1 16 16 LEU H H 1 7.7110 0.005 . 1 . . . . 211 LEU H . 17575 1 82 . 1 1 16 16 LEU HA H 1 4.1020 0.005 . 1 . . . A 211 LEU HA . 17575 1 83 . 1 1 16 16 LEU HB2 H 1 1.7540 0.005 . 2 . . . . 211 LEU HB2 . 17575 1 84 . 1 1 16 16 LEU HB3 H 1 1.6200 0.005 . 2 . . . A 211 LEU HB2 . 17575 1 85 . 1 1 16 16 LEU HG H 1 1.5200 0.005 . 1 . . . A 211 LEU HG . 17575 1 86 . 1 1 16 16 LEU HD11 H 1 0.9450 0.005 . 1 . . . A 211 LEU HD11 . 17575 1 87 . 1 1 16 16 LEU HD12 H 1 0.9450 0.005 . 1 . . . A 211 LEU HD11 . 17575 1 88 . 1 1 16 16 LEU HD13 H 1 0.9450 0.005 . 1 . . . A 211 LEU HD11 . 17575 1 89 . 1 1 16 16 LEU HD21 H 1 0.8800 0.005 . 1 . . . A 211 LEU HD21 . 17575 1 90 . 1 1 16 16 LEU HD22 H 1 0.8800 0.005 . 1 . . . A 211 LEU HD21 . 17575 1 91 . 1 1 16 16 LEU HD23 H 1 0.8800 0.005 . 1 . . . A 211 LEU HD21 . 17575 1 92 . 1 1 16 16 LEU CA C 13 57.8400 0.1 . 1 . . . A 211 LEU CA . 17575 1 93 . 1 1 16 16 LEU CB C 13 42.5780 0.1 . 1 . . . A 211 LEU CB . 17575 1 94 . 1 1 16 16 LEU CG C 13 27.0000 0.1 . 1 . . . A 211 LEU CG . 17575 1 95 . 1 1 16 16 LEU CD1 C 13 24.2130 0.1 . 1 . . . A 211 LEU CD1 . 17575 1 96 . 1 1 16 16 LEU CD2 C 13 26.4390 0.1 . 1 . . . A 211 LEU CD2 . 17575 1 97 . 1 1 16 16 LEU N N 15 121.1670 0.1 . 1 . . . A 211 LEU N . 17575 1 98 . 1 1 17 17 GLN H H 1 9.1410 0.005 . 1 . . . . 212 GLN H . 17575 1 99 . 1 1 17 17 GLN HA H 1 3.8270 0.005 . 1 . . . A 212 GLN HA . 17575 1 100 . 1 1 17 17 GLN HB2 H 1 2.1920 0.005 . 2 . . . . 212 GLN HB2 . 17575 1 101 . 1 1 17 17 GLN HB3 H 1 2.1920 0.005 . 2 . . . A 212 GLN HB2 . 17575 1 102 . 1 1 17 17 GLN HG2 H 1 2.4790 0.005 . 2 . . . . 212 GLN HG2 . 17575 1 103 . 1 1 17 17 GLN HG3 H 1 2.3040 0.005 . 2 . . . A 212 GLN HG2 . 17575 1 104 . 1 1 17 17 GLN HE21 H 1 7.2260 0.005 . 2 . . . A 212 GLN HE21 . 17575 1 105 . 1 1 17 17 GLN HE22 H 1 7.5130 0.005 . 2 . . . A 212 GLN HE22 . 17575 1 106 . 1 1 17 17 GLN CA C 13 59.1270 0.1 . 1 . . . A 212 GLN CA . 17575 1 107 . 1 1 17 17 GLN CB C 13 28.5690 0.1 . 1 . . . A 212 GLN CB . 17575 1 108 . 1 1 17 17 GLN N N 15 118.3890 0.1 . 1 . . . A 212 GLN N . 17575 1 109 . 1 1 17 17 GLN NE2 N 15 114.4470 0.1 . 1 . . . A 212 GLN NE2 . 17575 1 110 . 1 1 18 18 SER H H 1 7.9230 0.005 . 1 . . . . 213 SER H . 17575 1 111 . 1 1 18 18 SER HA H 1 4.1850 0.005 . 1 . . . A 213 SER HA . 17575 1 112 . 1 1 18 18 SER HB2 H 1 3.9240 0.005 . 2 . . . . 213 SER HB2 . 17575 1 113 . 1 1 18 18 SER HB3 H 1 3.9240 0.005 . 2 . . . A 213 SER HB2 . 17575 1 114 . 1 1 18 18 SER CA C 13 56.0810 0.1 . 1 . . . A 213 SER CA . 17575 1 115 . 1 1 18 18 SER CB C 13 63.5210 0.1 . 1 . . . A 213 SER CB . 17575 1 116 . 1 1 18 18 SER N N 15 114.8470 0.1 . 1 . . . A 213 SER N . 17575 1 117 . 1 1 19 19 ALA H H 1 7.9850 0.005 . 1 . . . . 214 ALA H . 17575 1 118 . 1 1 19 19 ALA HA H 1 4.2540 0.005 . 1 . . . A 214 ALA HA . 17575 1 119 . 1 1 19 19 ALA HB1 H 1 1.5530 0.005 . 1 . . . A 214 ALA HB1 . 17575 1 120 . 1 1 19 19 ALA HB2 H 1 1.5530 0.005 . 1 . . . A 214 ALA HB1 . 17575 1 121 . 1 1 19 19 ALA HB3 H 1 1.5530 0.005 . 1 . . . A 214 ALA HB1 . 17575 1 122 . 1 1 19 19 ALA CA C 13 54.7800 0.1 . 1 . . . A 214 ALA CA . 17575 1 123 . 1 1 19 19 ALA CB C 13 18.5840 0.1 . 1 . . . A 214 ALA CB . 17575 1 124 . 1 1 19 19 ALA N N 15 125.3430 0.1 . 1 . . . A 214 ALA N . 17575 1 125 . 1 1 20 20 ILE H H 1 8.6600 0.005 . 1 . . . . 215 ILE H . 17575 1 126 . 1 1 20 20 ILE HA H 1 3.7050 0.005 . 1 . . . A 215 ILE HA . 17575 1 127 . 1 1 20 20 ILE HB H 1 2.0350 0.005 . 1 . . . A 215 ILE HB . 17575 1 128 . 1 1 20 20 ILE HG12 H 1 1.6500 0.005 . 2 . . . . 215 ILE HG12 . 17575 1 129 . 1 1 20 20 ILE HG13 H 1 1.1800 0.005 . 2 . . . A 215 ILE HG12 . 17575 1 130 . 1 1 20 20 ILE HG21 H 1 0.9340 0.005 . 1 . . . A 215 ILE HG21 . 17575 1 131 . 1 1 20 20 ILE HG22 H 1 0.9340 0.005 . 1 . . . A 215 ILE HG21 . 17575 1 132 . 1 1 20 20 ILE HG23 H 1 0.9340 0.005 . 1 . . . A 215 ILE HG21 . 17575 1 133 . 1 1 20 20 ILE HD11 H 1 0.6790 0.005 . 1 . . . A 215 ILE HD11 . 17575 1 134 . 1 1 20 20 ILE HD12 H 1 0.6790 0.005 . 1 . . . A 215 ILE HD11 . 17575 1 135 . 1 1 20 20 ILE HD13 H 1 0.6790 0.005 . 1 . . . A 215 ILE HD11 . 17575 1 136 . 1 1 20 20 ILE CA C 13 64.8900 0.1 . 1 . . . A 215 ILE CA . 17575 1 137 . 1 1 20 20 ILE CB C 13 37.1350 0.1 . 1 . . . A 215 ILE CB . 17575 1 138 . 1 1 20 20 ILE CG1 C 13 29.6000 0.1 . 1 . . . A 215 ILE CG1 . 17575 1 139 . 1 1 20 20 ILE CG2 C 13 17.1800 0.1 . 1 . . . A 215 ILE CG2 . 17575 1 140 . 1 1 20 20 ILE CD1 C 13 12.7200 0.1 . 1 . . . A 215 ILE CD1 . 17575 1 141 . 1 1 20 20 ILE N N 15 118.4100 0.1 . 1 . . . A 215 ILE N . 17575 1 142 . 1 1 21 21 ASN H H 1 8.8400 0.005 . 1 . . . . 216 ASN H . 17575 1 143 . 1 1 21 21 ASN HA H 1 4.5850 0.005 . 1 . . . A 216 ASN HA . 17575 1 144 . 1 1 21 21 ASN HB2 H 1 2.9890 0.005 . 2 . . . . 216 ASN HB2 . 17575 1 145 . 1 1 21 21 ASN HB3 H 1 2.8640 0.005 . 2 . . . A 216 ASN HB2 . 17575 1 146 . 1 1 21 21 ASN HD21 H 1 7.2210 0.005 . 2 . . . A 216 ASN HD21 . 17575 1 147 . 1 1 21 21 ASN HD22 H 1 7.7040 0.005 . 2 . . . A 216 ASN HD22 . 17575 1 148 . 1 1 21 21 ASN CA C 13 55.2800 0.1 . 1 . . . A 216 ASN CA . 17575 1 149 . 1 1 21 21 ASN CB C 13 36.7020 0.1 . 1 . . . A 216 ASN CB . 17575 1 150 . 1 1 21 21 ASN N N 15 121.4310 0.1 . 1 . . . A 216 ASN N . 17575 1 151 . 1 1 21 21 ASN ND2 N 15 110.2230 0.1 . 1 . . . A 216 ASN ND2 . 17575 1 152 . 1 1 22 22 ALA H H 1 8.0050 0.005 . 1 . . . . 217 ALA H . 17575 1 153 . 1 1 22 22 ALA HA H 1 4.2460 0.005 . 1 . . . A 217 ALA HA . 17575 1 154 . 1 1 22 22 ALA HB1 H 1 1.5500 0.005 . 1 . . . A 217 ALA HB1 . 17575 1 155 . 1 1 22 22 ALA HB2 H 1 1.5500 0.005 . 1 . . . A 217 ALA HB1 . 17575 1 156 . 1 1 22 22 ALA HB3 H 1 1.5500 0.005 . 1 . . . A 217 ALA HB1 . 17575 1 157 . 1 1 22 22 ALA CA C 13 54.3740 0.1 . 1 . . . A 217 ALA CA . 17575 1 158 . 1 1 22 22 ALA CB C 13 18.0000 0.1 . 1 . . . A 217 ALA CB . 17575 1 159 . 1 1 22 22 ALA N N 15 122.3770 0.1 . 1 . . . A 217 ALA N . 17575 1 160 . 1 1 23 23 VAL H H 1 7.5590 0.005 . 1 . . . . 218 VAL H . 17575 1 161 . 1 1 23 23 VAL HA H 1 3.9810 0.005 . 1 . . . A 218 VAL HA . 17575 1 162 . 1 1 23 23 VAL HB H 1 2.3360 0.005 . 1 . . . A 218 VAL HB . 17575 1 163 . 1 1 23 23 VAL HG11 H 1 1.0050 0.005 . 2 . . . A 218 VAL HG11 . 17575 1 164 . 1 1 23 23 VAL HG12 H 1 1.0050 0.005 . 2 . . . A 218 VAL HG11 . 17575 1 165 . 1 1 23 23 VAL HG13 H 1 1.0050 0.005 . 2 . . . A 218 VAL HG11 . 17575 1 166 . 1 1 23 23 VAL HG21 H 1 1.0630 0.005 . 2 . . . A 218 VAL HG21 . 17575 1 167 . 1 1 23 23 VAL HG22 H 1 1.0630 0.005 . 2 . . . A 218 VAL HG21 . 17575 1 168 . 1 1 23 23 VAL HG23 H 1 1.0630 0.005 . 2 . . . A 218 VAL HG21 . 17575 1 169 . 1 1 23 23 VAL CA C 13 64.4400 0.1 . 1 . . . A 218 VAL CA . 17575 1 170 . 1 1 23 23 VAL CB C 13 32.2000 0.1 . 1 . . . A 218 VAL CB . 17575 1 171 . 1 1 23 23 VAL CG1 C 13 23.6200 0.1 . 2 . . . A 218 VAL CG1 . 17575 1 172 . 1 1 23 23 VAL CG2 C 13 22.1040 0.1 . 2 . . . A 218 VAL CG2 . 17575 1 173 . 1 1 23 23 VAL N N 15 116.0940 0.1 . 1 . . . A 218 VAL N . 17575 1 174 . 1 1 24 24 THR H H 1 8.6430 0.005 . 1 . . . . 219 THR H . 17575 1 175 . 1 1 24 24 THR HA H 1 4.1460 0.005 . 1 . . . A 219 THR HA . 17575 1 176 . 1 1 24 24 THR HB H 1 4.5210 0.005 . 1 . . . A 219 THR HB . 17575 1 177 . 1 1 24 24 THR HG1 H 1 5.7240 0.005 . 1 . . . A 219 THR HG1 . 17575 1 178 . 1 1 24 24 THR HG21 H 1 1.1590 0.005 . 1 . . . A 219 THR HG21 . 17575 1 179 . 1 1 24 24 THR HG22 H 1 1.1590 0.005 . 1 . . . A 219 THR HG21 . 17575 1 180 . 1 1 24 24 THR HG23 H 1 1.1590 0.005 . 1 . . . A 219 THR HG21 . 17575 1 181 . 1 1 24 24 THR CA C 13 63.5100 0.1 . 1 . . . A 219 THR CA . 17575 1 182 . 1 1 24 24 THR CB C 13 68.3500 0.1 . 1 . . . A 219 THR CB . 17575 1 183 . 1 1 24 24 THR CG2 C 13 22.1900 0.1 . 1 . . . A 219 THR CG2 . 17575 1 184 . 1 1 24 24 THR N N 15 109.0920 0.1 . 1 . . . A 219 THR N . 17575 1 185 . 1 1 25 25 GLY H H 1 8.2700 0.005 . 1 . . . . 220 GLY H . 17575 1 186 . 1 1 25 25 GLY HA2 H 1 3.8480 0.005 . 2 . . . A 220 GLY HA2 . 17575 1 187 . 1 1 25 25 GLY HA3 H 1 4.0220 0.005 . 2 . . . A 220 GLY HA3 . 17575 1 188 . 1 1 25 25 GLY CA C 13 46.2400 0.1 . 1 . . . A 220 GLY CA . 17575 1 189 . 1 1 25 25 GLY N N 15 110.4550 0.1 . 1 . . . A 220 GLY N . 17575 1 190 . 1 1 26 26 GLY H H 1 8.0580 0.005 . 1 . . . . 221 GLY H . 17575 1 191 . 1 1 26 26 GLY HA2 H 1 3.6450 0.005 . 1 . . . A 221 GLY HA2 . 17575 1 192 . 1 1 26 26 GLY HA3 H 1 4.6630 0.005 . 1 . . . A 221 GLY HA3 . 17575 1 193 . 1 1 26 26 GLY CA C 13 43.5400 0.1 . 1 . . . A 221 GLY CA . 17575 1 194 . 1 1 26 26 GLY N N 15 108.2040 0.1 . 1 . . . A 221 GLY N . 17575 1 195 . 1 1 27 27 PRO HA H 1 4.6380 0.005 . 1 . . . A 222 PRO HA . 17575 1 196 . 1 1 27 27 PRO HB2 H 1 2.2060 0.005 . 2 . . . . 222 PRO HB2 . 17575 1 197 . 1 1 27 27 PRO HB3 H 1 1.8730 0.005 . 2 . . . A 222 PRO HB2 . 17575 1 198 . 1 1 27 27 PRO HG2 H 1 1.9220 0.005 . 2 . . . . 222 PRO HG2 . 17575 1 199 . 1 1 27 27 PRO HG3 H 1 1.9220 0.005 . 2 . . . A 222 PRO HG2 . 17575 1 200 . 1 1 27 27 PRO CA C 13 62.3900 0.1 . 1 . . . A 222 PRO CA . 17575 1 201 . 1 1 27 27 PRO CB C 13 33.0000 0.1 . 1 . . . A 222 PRO CB . 17575 1 202 . 1 1 27 27 PRO CD C 13 49.8970 0.1 . 1 . . . A 222 PRO CD . 17575 1 203 . 1 1 28 28 ILE H H 1 9.2630 0.005 . 1 . . . . 223 ILE H . 17575 1 204 . 1 1 28 28 ILE HA H 1 4.0390 0.005 . 1 . . . A 223 ILE HA . 17575 1 205 . 1 1 28 28 ILE HB H 1 2.0430 0.005 . 1 . . . A 223 ILE HB . 17575 1 206 . 1 1 28 28 ILE HG12 H 1 1.5980 0.005 . 1 . . . . 223 ILE HG12 . 17575 1 207 . 1 1 28 28 ILE HG13 H 1 1.3160 0.005 . 1 . . . A 223 ILE HG12 . 17575 1 208 . 1 1 28 28 ILE HG21 H 1 0.6580 0.005 . 1 . . . A 223 ILE HG21 . 17575 1 209 . 1 1 28 28 ILE HG22 H 1 0.6580 0.005 . 1 . . . A 223 ILE HG21 . 17575 1 210 . 1 1 28 28 ILE HG23 H 1 0.6580 0.005 . 1 . . . A 223 ILE HG21 . 17575 1 211 . 1 1 28 28 ILE HD11 H 1 0.7860 0.005 . 1 . . . A 223 ILE HD11 . 17575 1 212 . 1 1 28 28 ILE HD12 H 1 0.7860 0.005 . 1 . . . A 223 ILE HD11 . 17575 1 213 . 1 1 28 28 ILE HD13 H 1 0.7860 0.005 . 1 . . . A 223 ILE HD11 . 17575 1 214 . 1 1 28 28 ILE CA C 13 59.6900 0.1 . 1 . . . A 223 ILE CA . 17575 1 215 . 1 1 28 28 ILE CB C 13 36.5100 0.1 . 1 . . . A 223 ILE CB . 17575 1 216 . 1 1 28 28 ILE CG1 C 13 27.2600 0.1 . 1 . . . A 223 ILE CG1 . 17575 1 217 . 1 1 28 28 ILE CG2 C 13 17.8850 0.1 . 1 . . . A 223 ILE CG2 . 17575 1 218 . 1 1 28 28 ILE CD1 C 13 10.3860 0.1 . 1 . . . A 223 ILE CD1 . 17575 1 219 . 1 1 28 28 ILE N N 15 123.0890 0.1 . 1 . . . A 223 ILE N . 17575 1 220 . 1 1 29 29 ALA H H 1 8.2630 0.005 . 1 . . . . 224 ALA H . 17575 1 221 . 1 1 29 29 ALA HA H 1 4.7810 0.005 . 1 . . . A 224 ALA HA . 17575 1 222 . 1 1 29 29 ALA HB1 H 1 1.4110 0.005 . 1 . . . A 224 ALA HB1 . 17575 1 223 . 1 1 29 29 ALA HB2 H 1 1.4110 0.005 . 1 . . . A 224 ALA HB1 . 17575 1 224 . 1 1 29 29 ALA HB3 H 1 1.4110 0.005 . 1 . . . A 224 ALA HB1 . 17575 1 225 . 1 1 29 29 ALA CA C 13 51.7790 0.1 . 1 . . . A 224 ALA CA . 17575 1 226 . 1 1 29 29 ALA CB C 13 21.2400 0.1 . 1 . . . A 224 ALA CB . 17575 1 227 . 1 1 29 29 ALA N N 15 130.4260 0.1 . 1 . . . A 224 ALA N . 17575 1 228 . 1 1 30 30 PHE H H 1 8.4110 0.005 . 1 . . . . 225 PHE H . 17575 1 229 . 1 1 30 30 PHE HA H 1 4.7000 0.005 . 1 . . . A 225 PHE HA . 17575 1 230 . 1 1 30 30 PHE HB2 H 1 2.8650 0.005 . 2 . . . . 225 PHE HB2 . 17575 1 231 . 1 1 30 30 PHE HB3 H 1 2.8650 0.005 . 2 . . . A 225 PHE HB2 . 17575 1 232 . 1 1 30 30 PHE HD1 H 1 7.1180 0.005 . 1 . . . A 225 PHE HD1 . 17575 1 233 . 1 1 30 30 PHE HD2 H 1 7.1180 0.005 . 1 . . . A 225 PHE HD2 . 17575 1 234 . 1 1 30 30 PHE HE1 H 1 7.0500 0.005 . 1 . . . A 225 PHE HE1 . 17575 1 235 . 1 1 30 30 PHE HE2 H 1 7.0500 0.005 . 1 . . . A 225 PHE HE2 . 17575 1 236 . 1 1 30 30 PHE CA C 13 56.7610 0.1 . 1 . . . A 225 PHE CA . 17575 1 237 . 1 1 30 30 PHE CB C 13 41.9670 0.1 . 1 . . . A 225 PHE CB . 17575 1 238 . 1 1 30 30 PHE CD1 C 13 131.4400 0.1 . 1 . . . A 225 PHE CD1 . 17575 1 239 . 1 1 30 30 PHE CD2 C 13 131.4400 0.1 . 1 . . . A 225 PHE CD2 . 17575 1 240 . 1 1 30 30 PHE N N 15 117.8630 0.1 . 1 . . . A 225 PHE N . 17575 1 241 . 1 1 31 31 GLY H H 1 8.7640 0.005 . 1 . . . . 226 GLY H . 17575 1 242 . 1 1 31 31 GLY HA2 H 1 3.9560 0.005 . 1 . . . A 226 GLY HA2 . 17575 1 243 . 1 1 31 31 GLY HA3 H 1 4.2090 0.005 . 1 . . . A 226 GLY HA3 . 17575 1 244 . 1 1 31 31 GLY CA C 13 44.4860 0.1 . 1 . . . A 226 GLY CA . 17575 1 245 . 1 1 31 31 GLY N N 15 107.0330 0.1 . 1 . . . A 226 GLY N . 17575 1 246 . 1 1 32 32 ASN HD21 H 1 6.9630 0.005 . 2 . . . A 227 ASN HD21 . 17575 1 247 . 1 1 32 32 ASN HD22 H 1 7.6440 0.005 . 2 . . . A 227 ASN HD22 . 17575 1 248 . 1 1 32 32 ASN ND2 N 15 112.7670 0.1 . 1 . . . A 227 ASN ND2 . 17575 1 249 . 1 1 33 33 ASP H H 1 8.4230 0.005 . 1 . . . . 228 ASP H . 17575 1 250 . 1 1 33 33 ASP HA H 1 4.4800 0.005 . 1 . . . A 228 ASP HA . 17575 1 251 . 1 1 33 33 ASP HB2 H 1 2.8790 0.005 . 2 . . . . 228 ASP HB2 . 17575 1 252 . 1 1 33 33 ASP HB3 H 1 2.7400 0.005 . 2 . . . A 228 ASP HB2 . 17575 1 253 . 1 1 33 33 ASP CA C 13 54.2100 0.1 . 1 . . . A 228 ASP CA . 17575 1 254 . 1 1 33 33 ASP CB C 13 40.3800 0.1 . 1 . . . A 228 ASP CB . 17575 1 255 . 1 1 33 33 ASP N N 15 117.0580 0.1 . 1 . . . A 228 ASP N . 17575 1 256 . 1 1 34 34 GLY H H 1 8.3510 0.005 . 1 . . . . 229 GLY H . 17575 1 257 . 1 1 34 34 GLY HA2 H 1 3.7230 0.005 . 2 . . . A 229 GLY HA2 . 17575 1 258 . 1 1 34 34 GLY HA3 H 1 4.0720 0.005 . 2 . . . A 229 GLY HA3 . 17575 1 259 . 1 1 34 34 GLY CA C 13 45.7470 0.1 . 1 . . . A 229 GLY CA . 17575 1 260 . 1 1 34 34 GLY N N 15 108.1710 0.1 . 1 . . . A 229 GLY N . 17575 1 261 . 1 1 35 35 ALA H H 1 8.3680 0.005 . 1 . . . . 230 ALA H . 17575 1 262 . 1 1 35 35 ALA HA H 1 4.4770 0.005 . 1 . . . A 230 ALA HA . 17575 1 263 . 1 1 35 35 ALA HB1 H 1 1.3610 0.005 . 1 . . . A 230 ALA HB1 . 17575 1 264 . 1 1 35 35 ALA HB2 H 1 1.3610 0.005 . 1 . . . A 230 ALA HB1 . 17575 1 265 . 1 1 35 35 ALA HB3 H 1 1.3610 0.005 . 1 . . . A 230 ALA HB1 . 17575 1 266 . 1 1 35 35 ALA CA C 13 52.9240 0.1 . 1 . . . A 230 ALA CA . 17575 1 267 . 1 1 35 35 ALA CB C 13 20.1280 0.1 . 1 . . . A 230 ALA CB . 17575 1 268 . 1 1 35 35 ALA N N 15 123.3750 0.1 . 1 . . . A 230 ALA N . 17575 1 269 . 1 1 36 36 SER H H 1 8.3170 0.005 . 1 . . . . 231 SER H . 17575 1 270 . 1 1 36 36 SER HA H 1 4.6970 0.005 . 1 . . . A 231 SER HA . 17575 1 271 . 1 1 36 36 SER HB2 H 1 3.9090 0.005 . 1 . . . . 231 SER HB2 . 17575 1 272 . 1 1 36 36 SER HB3 H 1 3.8760 0.005 . 1 . . . A 231 SER HB2 . 17575 1 273 . 1 1 36 36 SER CA C 13 57.1500 0.1 . 1 . . . A 231 SER CA . 17575 1 274 . 1 1 36 36 SER CB C 13 64.7670 0.1 . 1 . . . A 231 SER CB . 17575 1 275 . 1 1 36 36 SER N N 15 112.8790 0.1 . 1 . . . A 231 SER N . 17575 1 276 . 1 1 37 37 LEU H H 1 8.3130 0.005 . 1 . . . . 232 LEU H . 17575 1 277 . 1 1 37 37 LEU HA H 1 3.7740 0.005 . 1 . . . A 232 LEU HA . 17575 1 278 . 1 1 37 37 LEU HB2 H 1 1.0550 0.005 . 1 . . . . 232 LEU HB2 . 17575 1 279 . 1 1 37 37 LEU HB3 H 1 0.7390 0.005 . 1 . . . A 232 LEU HB2 . 17575 1 280 . 1 1 37 37 LEU HG H 1 1.1060 0.005 . 1 . . . A 232 LEU HG . 17575 1 281 . 1 1 37 37 LEU HD11 H 1 0.0910 0.005 . 1 . . . A 232 LEU HD11 . 17575 1 282 . 1 1 37 37 LEU HD12 H 1 0.0910 0.005 . 1 . . . A 232 LEU HD11 . 17575 1 283 . 1 1 37 37 LEU HD13 H 1 0.0910 0.005 . 1 . . . A 232 LEU HD11 . 17575 1 284 . 1 1 37 37 LEU HD21 H 1 -0.1220 0.005 . 1 . . . A 232 LEU HD21 . 17575 1 285 . 1 1 37 37 LEU HD22 H 1 -0.1220 0.005 . 1 . . . A 232 LEU HD21 . 17575 1 286 . 1 1 37 37 LEU HD23 H 1 -0.1220 0.005 . 1 . . . A 232 LEU HD21 . 17575 1 287 . 1 1 37 37 LEU CA C 13 54.2470 0.1 . 1 . . . A 232 LEU CA . 17575 1 288 . 1 1 37 37 LEU CB C 13 42.0200 0.1 . 1 . . . A 232 LEU CB . 17575 1 289 . 1 1 37 37 LEU CG C 13 26.4490 0.1 . 1 . . . A 232 LEU CG . 17575 1 290 . 1 1 37 37 LEU CD1 C 13 25.0300 0.1 . 1 . . . A 232 LEU CD1 . 17575 1 291 . 1 1 37 37 LEU CD2 C 13 23.7440 0.1 . 1 . . . A 232 LEU CD2 . 17575 1 292 . 1 1 37 37 LEU N N 15 123.4660 0.1 . 1 . . . A 232 LEU N . 17575 1 293 . 1 1 38 38 ILE H H 1 7.4570 0.005 . 1 . . . . 233 ILE H . 17575 1 294 . 1 1 38 38 ILE HA H 1 4.4450 0.005 . 1 . . . A 233 ILE HA . 17575 1 295 . 1 1 38 38 ILE HB H 1 1.9910 0.005 . 1 . . . A 233 ILE HB . 17575 1 296 . 1 1 38 38 ILE HG12 H 1 1.2580 0.005 . 1 . . . . 233 ILE HG12 . 17575 1 297 . 1 1 38 38 ILE HG13 H 1 1.2080 0.005 . 1 . . . A 233 ILE HG12 . 17575 1 298 . 1 1 38 38 ILE HG21 H 1 0.8570 0.005 . 1 . . . A 233 ILE HG21 . 17575 1 299 . 1 1 38 38 ILE HG22 H 1 0.8570 0.005 . 1 . . . A 233 ILE HG21 . 17575 1 300 . 1 1 38 38 ILE HG23 H 1 0.8570 0.005 . 1 . . . A 233 ILE HG21 . 17575 1 301 . 1 1 38 38 ILE HD11 H 1 0.8800 0.005 . 1 . . . A 233 ILE HD11 . 17575 1 302 . 1 1 38 38 ILE HD12 H 1 0.8800 0.005 . 1 . . . A 233 ILE HD11 . 17575 1 303 . 1 1 38 38 ILE HD13 H 1 0.8800 0.005 . 1 . . . A 233 ILE HD11 . 17575 1 304 . 1 1 38 38 ILE CA C 13 59.9670 0.1 . 1 . . . A 233 ILE CA . 17575 1 305 . 1 1 38 38 ILE CB C 13 36.6660 0.1 . 1 . . . A 233 ILE CB . 17575 1 306 . 1 1 38 38 ILE CG1 C 13 25.9700 0.1 . 1 . . . A 233 ILE CG1 . 17575 1 307 . 1 1 38 38 ILE CG2 C 13 18.0000 0.1 . 1 . . . A 233 ILE CG2 . 17575 1 308 . 1 1 38 38 ILE CD1 C 13 13.7800 0.1 . 1 . . . A 233 ILE CD1 . 17575 1 309 . 1 1 38 38 ILE N N 15 118.4050 0.1 . 1 . . . A 233 ILE N . 17575 1 310 . 1 1 39 39 PRO HA H 1 4.1750 0.005 . 1 . . . A 234 PRO HA . 17575 1 311 . 1 1 39 39 PRO HB2 H 1 2.3900 0.005 . 2 . . . . 234 PRO HB2 . 17575 1 312 . 1 1 39 39 PRO HB3 H 1 2.3900 0.005 . 2 . . . A 234 PRO HB2 . 17575 1 313 . 1 1 39 39 PRO HG2 H 1 1.9840 0.005 . 2 . . . . 234 PRO HG2 . 17575 1 314 . 1 1 39 39 PRO HG3 H 1 1.9840 0.005 . 2 . . . A 234 PRO HG2 . 17575 1 315 . 1 1 39 39 PRO HD2 H 1 3.9200 0.005 . 1 . . . . 234 PRO HD2 . 17575 1 316 . 1 1 39 39 PRO HD3 H 1 3.7900 0.005 . 1 . . . A 234 PRO HD2 . 17575 1 317 . 1 1 39 39 PRO CA C 13 66.4000 0.1 . 1 . . . A 234 PRO CA . 17575 1 318 . 1 1 39 39 PRO CB C 13 31.5900 0.1 . 1 . . . A 234 PRO CB . 17575 1 319 . 1 1 40 40 ALA H H 1 8.2310 0.005 . 1 . . . . 235 ALA H . 17575 1 320 . 1 1 40 40 ALA HA H 1 4.1610 0.005 . 1 . . . A 235 ALA HA . 17575 1 321 . 1 1 40 40 ALA HB1 H 1 1.3970 0.005 . 1 . . . A 235 ALA HB1 . 17575 1 322 . 1 1 40 40 ALA HB2 H 1 1.3970 0.005 . 1 . . . A 235 ALA HB1 . 17575 1 323 . 1 1 40 40 ALA HB3 H 1 1.3970 0.005 . 1 . . . A 235 ALA HB1 . 17575 1 324 . 1 1 40 40 ALA CA C 13 54.3200 0.1 . 1 . . . A 235 ALA CA . 17575 1 325 . 1 1 40 40 ALA CB C 13 18.6440 0.1 . 1 . . . A 235 ALA CB . 17575 1 326 . 1 1 40 40 ALA N N 15 117.8390 0.1 . 1 . . . A 235 ALA N . 17575 1 327 . 1 1 41 41 ALA H H 1 8.0890 0.005 . 1 . . . . 236 ALA H . 17575 1 328 . 1 1 41 41 ALA HA H 1 4.0470 0.005 . 1 . . . A 236 ALA HA . 17575 1 329 . 1 1 41 41 ALA HB1 H 1 1.2640 0.005 . 1 . . . A 236 ALA HB1 . 17575 1 330 . 1 1 41 41 ALA HB2 H 1 1.2640 0.005 . 1 . . . A 236 ALA HB1 . 17575 1 331 . 1 1 41 41 ALA HB3 H 1 1.2640 0.005 . 1 . . . A 236 ALA HB1 . 17575 1 332 . 1 1 41 41 ALA CA C 13 54.0300 0.1 . 1 . . . A 236 ALA CA . 17575 1 333 . 1 1 41 41 ALA CB C 13 19.0700 0.1 . 1 . . . A 236 ALA CB . 17575 1 334 . 1 1 41 41 ALA N N 15 118.1790 0.1 . 1 . . . A 236 ALA N . 17575 1 335 . 1 1 42 42 TYR H H 1 7.2160 0.005 . 1 . . . . 237 TYR H . 17575 1 336 . 1 1 42 42 TYR HA H 1 3.6550 0.005 . 1 . . . A 237 TYR HA . 17575 1 337 . 1 1 42 42 TYR HB2 H 1 2.9840 0.005 . 2 . . . . 237 TYR HB2 . 17575 1 338 . 1 1 42 42 TYR HB3 H 1 2.8370 0.005 . 2 . . . A 237 TYR HB2 . 17575 1 339 . 1 1 42 42 TYR HD1 H 1 6.6390 0.005 . 1 . . . A 237 TYR HD1 . 17575 1 340 . 1 1 42 42 TYR HD2 H 1 6.6390 0.005 . 1 . . . A 237 TYR HD2 . 17575 1 341 . 1 1 42 42 TYR HE1 H 1 6.4950 0.005 . 1 . . . A 237 TYR HE1 . 17575 1 342 . 1 1 42 42 TYR HE2 H 1 6.4950 0.005 . 1 . . . A 237 TYR HE2 . 17575 1 343 . 1 1 42 42 TYR CA C 13 62.6690 0.1 . 1 . . . A 237 TYR CA . 17575 1 344 . 1 1 42 42 TYR CB C 13 36.6260 0.1 . 1 . . . A 237 TYR CB . 17575 1 345 . 1 1 42 42 TYR CD1 C 13 132.4900 0.1 . 1 . . . A 237 TYR CD1 . 17575 1 346 . 1 1 42 42 TYR CD2 C 13 132.4900 0.1 . 1 . . . A 237 TYR CD2 . 17575 1 347 . 1 1 42 42 TYR CE1 C 13 118.3100 0.1 . 1 . . . A 237 TYR CE1 . 17575 1 348 . 1 1 42 42 TYR CE2 C 13 118.3100 0.1 . 1 . . . A 237 TYR CE2 . 17575 1 349 . 1 1 42 42 TYR N N 15 116.3700 0.1 . 1 . . . A 237 TYR N . 17575 1 350 . 1 1 43 43 GLU H H 1 7.7790 0.005 . 1 . . . . 238 GLU H . 17575 1 351 . 1 1 43 43 GLU HA H 1 4.1800 0.005 . 1 . . . A 238 GLU HA . 17575 1 352 . 1 1 43 43 GLU HB2 H 1 2.0890 0.005 . 2 . . . . 238 GLU HB2 . 17575 1 353 . 1 1 43 43 GLU HB3 H 1 2.0890 0.005 . 2 . . . A 238 GLU HB2 . 17575 1 354 . 1 1 43 43 GLU HG2 H 1 2.3490 0.005 . 2 . . . . 238 GLU HG2 . 17575 1 355 . 1 1 43 43 GLU HG3 H 1 2.3490 0.005 . 2 . . . A 238 GLU HG2 . 17575 1 356 . 1 1 43 43 GLU CA C 13 59.1800 0.1 . 1 . . . A 238 GLU CA . 17575 1 357 . 1 1 43 43 GLU CB C 13 29.0000 0.1 . 1 . . . A 238 GLU CB . 17575 1 358 . 1 1 43 43 GLU CG C 13 35.9300 0.1 . 1 . . . A 238 GLU CG . 17575 1 359 . 1 1 43 43 GLU N N 15 117.7170 0.1 . 1 . . . A 238 GLU N . 17575 1 360 . 1 1 44 44 ILE H H 1 7.0760 0.005 . 1 . . . . 239 ILE H . 17575 1 361 . 1 1 44 44 ILE HA H 1 3.5420 0.005 . 1 . . . A 239 ILE HA . 17575 1 362 . 1 1 44 44 ILE HB H 1 1.9620 0.005 . 1 . . . A 239 ILE HB . 17575 1 363 . 1 1 44 44 ILE HG12 H 1 1.7650 0.005 . 1 . . . . 239 ILE HG12 . 17575 1 364 . 1 1 44 44 ILE HG13 H 1 1.2140 0.005 . 1 . . . A 239 ILE HG12 . 17575 1 365 . 1 1 44 44 ILE HG21 H 1 0.8250 0.005 . 1 . . . A 239 ILE HG21 . 17575 1 366 . 1 1 44 44 ILE HG22 H 1 0.8250 0.005 . 1 . . . A 239 ILE HG21 . 17575 1 367 . 1 1 44 44 ILE HG23 H 1 0.8250 0.005 . 1 . . . A 239 ILE HG21 . 17575 1 368 . 1 1 44 44 ILE HD11 H 1 0.8940 0.005 . 1 . . . A 239 ILE HD11 . 17575 1 369 . 1 1 44 44 ILE HD12 H 1 0.8940 0.005 . 1 . . . A 239 ILE HD11 . 17575 1 370 . 1 1 44 44 ILE HD13 H 1 0.8940 0.005 . 1 . . . A 239 ILE HD11 . 17575 1 371 . 1 1 44 44 ILE CA C 13 65.4600 0.1 . 1 . . . A 239 ILE CA . 17575 1 372 . 1 1 44 44 ILE CB C 13 38.6000 0.1 . 1 . . . A 239 ILE CB . 17575 1 373 . 1 1 44 44 ILE CG1 C 13 29.2500 0.1 . 1 . . . A 239 ILE CG1 . 17575 1 374 . 1 1 44 44 ILE CG2 C 13 18.8200 0.1 . 1 . . . A 239 ILE CG2 . 17575 1 375 . 1 1 44 44 ILE CD1 C 13 13.0800 0.1 . 1 . . . A 239 ILE CD1 . 17575 1 376 . 1 1 44 44 ILE N N 15 118.6570 0.1 . 1 . . . A 239 ILE N . 17575 1 377 . 1 1 45 45 LEU H H 1 8.5200 0.005 . 1 . . . . 240 LEU H . 17575 1 378 . 1 1 45 45 LEU HA H 1 3.9530 0.005 . 1 . . . A 240 LEU HA . 17575 1 379 . 1 1 45 45 LEU HB2 H 1 2.1520 0.005 . 1 . . . . 240 LEU HB2 . 17575 1 380 . 1 1 45 45 LEU HB3 H 1 1.3910 0.005 . 1 . . . A 240 LEU HB2 . 17575 1 381 . 1 1 45 45 LEU HG H 1 1.8720 0.005 . 1 . . . A 240 LEU HG . 17575 1 382 . 1 1 45 45 LEU HD11 H 1 0.7950 0.005 . 1 . . . A 240 LEU HD11 . 17575 1 383 . 1 1 45 45 LEU HD12 H 1 0.7950 0.005 . 1 . . . A 240 LEU HD11 . 17575 1 384 . 1 1 45 45 LEU HD13 H 1 0.7950 0.005 . 1 . . . A 240 LEU HD11 . 17575 1 385 . 1 1 45 45 LEU HD21 H 1 0.6200 0.005 . 1 . . . A 240 LEU HD21 . 17575 1 386 . 1 1 45 45 LEU HD22 H 1 0.6200 0.005 . 1 . . . A 240 LEU HD21 . 17575 1 387 . 1 1 45 45 LEU HD23 H 1 0.6200 0.005 . 1 . . . A 240 LEU HD21 . 17575 1 388 . 1 1 45 45 LEU CA C 13 57.7300 0.1 . 1 . . . A 240 LEU CA . 17575 1 389 . 1 1 45 45 LEU CB C 13 41.7900 0.1 . 1 . . . A 240 LEU CB . 17575 1 390 . 1 1 45 45 LEU CG C 13 26.6600 0.1 . 1 . . . A 240 LEU CG . 17575 1 391 . 1 1 45 45 LEU CD1 C 13 22.9240 0.1 . 1 . . . A 240 LEU CD1 . 17575 1 392 . 1 1 45 45 LEU CD2 C 13 26.7300 0.1 . 1 . . . A 240 LEU CD2 . 17575 1 393 . 1 1 45 45 LEU N N 15 119.1110 0.1 . 1 . . . A 240 LEU N . 17575 1 394 . 1 1 46 46 ASN H H 1 8.7470 0.005 . 1 . . . . 241 ASN H . 17575 1 395 . 1 1 46 46 ASN HA H 1 4.4000 0.005 . 1 . . . A 241 ASN HA . 17575 1 396 . 1 1 46 46 ASN HB2 H 1 3.2950 0.005 . 2 . . . . 241 ASN HB2 . 17575 1 397 . 1 1 46 46 ASN HB3 H 1 3.0490 0.005 . 2 . . . A 241 ASN HB2 . 17575 1 398 . 1 1 46 46 ASN HD21 H 1 6.9650 0.005 . 2 . . . A 241 ASN HD21 . 17575 1 399 . 1 1 46 46 ASN HD22 H 1 7.5810 0.005 . 2 . . . A 241 ASN HD22 . 17575 1 400 . 1 1 46 46 ASN CA C 13 56.2000 0.1 . 1 . . . A 241 ASN CA . 17575 1 401 . 1 1 46 46 ASN CB C 13 36.7500 0.1 . 1 . . . A 241 ASN CB . 17575 1 402 . 1 1 46 46 ASN N N 15 121.1460 0.1 . 1 . . . A 241 ASN N . 17575 1 403 . 1 1 46 46 ASN ND2 N 15 109.0310 0.1 . 1 . . . A 241 ASN ND2 . 17575 1 404 . 1 1 47 47 ARG H H 1 7.6140 0.005 . 1 . . . . 242 ARG H . 17575 1 405 . 1 1 47 47 ARG HA H 1 4.2740 0.005 . 1 . . . A 242 ARG HA . 17575 1 406 . 1 1 47 47 ARG HB2 H 1 2.1680 0.005 . 2 . . . . 242 ARG HB2 . 17575 1 407 . 1 1 47 47 ARG HB3 H 1 1.8590 0.005 . 2 . . . A 242 ARG HB2 . 17575 1 408 . 1 1 47 47 ARG HG2 H 1 2.0000 0.005 . 2 . . . . 242 ARG HG2 . 17575 1 409 . 1 1 47 47 ARG HG3 H 1 1.8000 0.005 . 2 . . . A 242 ARG HG2 . 17575 1 410 . 1 1 47 47 ARG CA C 13 59.2800 0.1 . 1 . . . A 242 ARG CA . 17575 1 411 . 1 1 47 47 ARG CB C 13 31.2400 0.1 . 1 . . . A 242 ARG CB . 17575 1 412 . 1 1 47 47 ARG N N 15 120.1680 0.1 . 1 . . . A 242 ARG N . 17575 1 413 . 1 1 48 48 VAL H H 1 8.6270 0.005 . 1 . . . . 243 VAL H . 17575 1 414 . 1 1 48 48 VAL HA H 1 3.3650 0.005 . 1 . . . A 243 VAL HA . 17575 1 415 . 1 1 48 48 VAL HB H 1 2.3280 0.005 . 1 . . . A 243 VAL HB . 17575 1 416 . 1 1 48 48 VAL HG11 H 1 0.8750 0.005 . 2 . . . A 243 VAL HG11 . 17575 1 417 . 1 1 48 48 VAL HG12 H 1 0.8750 0.005 . 2 . . . A 243 VAL HG11 . 17575 1 418 . 1 1 48 48 VAL HG13 H 1 0.8750 0.005 . 2 . . . A 243 VAL HG11 . 17575 1 419 . 1 1 48 48 VAL HG21 H 1 1.0210 0.005 . 2 . . . A 243 VAL HG21 . 17575 1 420 . 1 1 48 48 VAL HG22 H 1 1.0210 0.005 . 2 . . . A 243 VAL HG21 . 17575 1 421 . 1 1 48 48 VAL HG23 H 1 1.0210 0.005 . 2 . . . A 243 VAL HG21 . 17575 1 422 . 1 1 48 48 VAL CA C 13 67.4900 0.1 . 1 . . . A 243 VAL CA . 17575 1 423 . 1 1 48 48 VAL CB C 13 31.1040 0.1 . 1 . . . A 243 VAL CB . 17575 1 424 . 1 1 48 48 VAL CG1 C 13 21.4900 0.1 . 1 . . . A 243 VAL CG1 . 17575 1 425 . 1 1 48 48 VAL CG2 C 13 24.0600 0.1 . 1 . . . A 243 VAL CG2 . 17575 1 426 . 1 1 48 48 VAL N N 15 121.7170 0.1 . 1 . . . A 243 VAL N . 17575 1 427 . 1 1 49 49 ALA H H 1 8.8800 0.005 . 1 . . . . 244 ALA H . 17575 1 428 . 1 1 49 49 ALA HA H 1 3.7970 0.005 . 1 . . . A 244 ALA HA . 17575 1 429 . 1 1 49 49 ALA HB1 H 1 1.5210 0.005 . 1 . . . A 244 ALA HB1 . 17575 1 430 . 1 1 49 49 ALA HB2 H 1 1.5210 0.005 . 1 . . . A 244 ALA HB1 . 17575 1 431 . 1 1 49 49 ALA HB3 H 1 1.5210 0.005 . 1 . . . A 244 ALA HB1 . 17575 1 432 . 1 1 49 49 ALA CA C 13 55.5000 0.1 . 1 . . . A 244 ALA CA . 17575 1 433 . 1 1 49 49 ALA CB C 13 17.9920 0.1 . 1 . . . A 244 ALA CB . 17575 1 434 . 1 1 49 49 ALA N N 15 120.9530 0.1 . 1 . . . A 244 ALA N . 17575 1 435 . 1 1 50 50 ASP H H 1 7.6100 0.005 . 1 . . . . 245 ASP H . 17575 1 436 . 1 1 50 50 ASP HA H 1 4.3640 0.005 . 1 . . . A 245 ASP HA . 17575 1 437 . 1 1 50 50 ASP HB2 H 1 2.8110 0.005 . 2 . . . . 245 ASP HB2 . 17575 1 438 . 1 1 50 50 ASP HB3 H 1 2.6630 0.005 . 2 . . . A 245 ASP HB2 . 17575 1 439 . 1 1 50 50 ASP CA C 13 57.8400 0.1 . 1 . . . A 245 ASP CA . 17575 1 440 . 1 1 50 50 ASP CB C 13 40.2000 0.1 . 1 . . . A 245 ASP CB . 17575 1 441 . 1 1 50 50 ASP N N 15 116.5270 0.1 . 1 . . . A 245 ASP N . 17575 1 442 . 1 1 51 51 LYS H H 1 7.5620 0.005 . 1 . . . . 246 LYS H . 17575 1 443 . 1 1 51 51 LYS HA H 1 4.0980 0.005 . 1 . . . A 246 LYS HA . 17575 1 444 . 1 1 51 51 LYS HB2 H 1 2.0540 0.005 . 2 . . . . 246 LYS HB2 . 17575 1 445 . 1 1 51 51 LYS HB3 H 1 1.6790 0.005 . 2 . . . A 246 LYS HB2 . 17575 1 446 . 1 1 51 51 LYS HG2 H 1 1.6430 0.005 . 2 . . . . 246 LYS HG2 . 17575 1 447 . 1 1 51 51 LYS HG3 H 1 1.3630 0.005 . 2 . . . A 246 LYS HG2 . 17575 1 448 . 1 1 51 51 LYS HD2 H 1 1.6570 0.005 . 2 . . . . 246 LYS HD2 . 17575 1 449 . 1 1 51 51 LYS HD3 H 1 1.4940 0.005 . 2 . . . A 246 LYS HD2 . 17575 1 450 . 1 1 51 51 LYS HE2 H 1 2.9500 0.005 . 1 . . . . 246 LYS HE2 . 17575 1 451 . 1 1 51 51 LYS HE3 H 1 2.8200 0.005 . 1 . . . A 246 LYS HE2 . 17575 1 452 . 1 1 51 51 LYS CA C 13 58.1000 0.1 . 1 . . . A 246 LYS CA . 17575 1 453 . 1 1 51 51 LYS CB C 13 31.3890 0.1 . 1 . . . A 246 LYS CB . 17575 1 454 . 1 1 51 51 LYS CG C 13 24.7900 0.1 . 1 . . . A 246 LYS CG . 17575 1 455 . 1 1 51 51 LYS CD C 13 28.0800 0.1 . 1 . . . A 246 LYS CD . 17575 1 456 . 1 1 51 51 LYS CE C 13 42.0200 0.1 . 1 . . . A 246 LYS CE . 17575 1 457 . 1 1 51 51 LYS N N 15 119.0990 0.1 . 1 . . . A 246 LYS N . 17575 1 458 . 1 1 52 52 LEU H H 1 8.0430 0.005 . 1 . . . . 247 LEU H . 17575 1 459 . 1 1 52 52 LEU HA H 1 3.9320 0.005 . 1 . . . A 247 LEU HA . 17575 1 460 . 1 1 52 52 LEU HB2 H 1 1.8360 0.005 . 1 . . . . 247 LEU HB2 . 17575 1 461 . 1 1 52 52 LEU HB3 H 1 1.5370 0.005 . 1 . . . A 247 LEU HB2 . 17575 1 462 . 1 1 52 52 LEU HG H 1 1.8160 0.005 . 1 . . . A 247 LEU HG . 17575 1 463 . 1 1 52 52 LEU HD11 H 1 0.7620 0.005 . 1 . . . A 247 LEU HD11 . 17575 1 464 . 1 1 52 52 LEU HD12 H 1 0.7620 0.005 . 1 . . . A 247 LEU HD11 . 17575 1 465 . 1 1 52 52 LEU HD13 H 1 0.7620 0.005 . 1 . . . A 247 LEU HD11 . 17575 1 466 . 1 1 52 52 LEU HD21 H 1 0.7030 0.005 . 1 . . . A 247 LEU HD21 . 17575 1 467 . 1 1 52 52 LEU HD22 H 1 0.7030 0.005 . 1 . . . A 247 LEU HD21 . 17575 1 468 . 1 1 52 52 LEU HD23 H 1 0.7030 0.005 . 1 . . . A 247 LEU HD21 . 17575 1 469 . 1 1 52 52 LEU CA C 13 57.4500 0.1 . 1 . . . A 247 LEU CA . 17575 1 470 . 1 1 52 52 LEU CB C 13 41.2000 0.1 . 1 . . . A 247 LEU CB . 17575 1 471 . 1 1 52 52 LEU CG C 13 26.6800 0.1 . 1 . . . A 247 LEU CG . 17575 1 472 . 1 1 52 52 LEU CD1 C 13 26.9000 0.1 . 1 . . . A 247 LEU CD1 . 17575 1 473 . 1 1 52 52 LEU CD2 C 13 22.6900 0.1 . 1 . . . A 247 LEU CD2 . 17575 1 474 . 1 1 52 52 LEU N N 15 117.7240 0.1 . 1 . . . A 247 LEU N . 17575 1 475 . 1 1 53 53 LYS H H 1 8.6080 0.005 . 1 . . . . 248 LYS H . 17575 1 476 . 1 1 53 53 LYS HA H 1 3.9120 0.005 . 1 . . . A 248 LYS HA . 17575 1 477 . 1 1 53 53 LYS HB2 H 1 1.8110 0.005 . 1 . . . . 248 LYS HB2 . 17575 1 478 . 1 1 53 53 LYS HB3 H 1 1.7350 0.005 . 1 . . . A 248 LYS HB2 . 17575 1 479 . 1 1 53 53 LYS HG2 H 1 1.5810 0.005 . 2 . . . . 248 LYS HG2 . 17575 1 480 . 1 1 53 53 LYS HG3 H 1 1.3870 0.005 . 2 . . . A 248 LYS HG2 . 17575 1 481 . 1 1 53 53 LYS HE2 H 1 2.8770 0.005 . 2 . . . . 248 LYS HD2 . 17575 1 482 . 1 1 53 53 LYS HE3 H 1 2.8770 0.005 . 2 . . . A 248 LYS HD2 . 17575 1 483 . 1 1 53 53 LYS CA C 13 59.1300 0.1 . 1 . . . A 248 LYS CA . 17575 1 484 . 1 1 53 53 LYS CB C 13 32.1800 0.1 . 1 . . . A 248 LYS CB . 17575 1 485 . 1 1 53 53 LYS CG C 13 25.3900 0.1 . 1 . . . A 248 LYS CG . 17575 1 486 . 1 1 53 53 LYS N N 15 118.2140 0.1 . 1 . . . A 248 LYS N . 17575 1 487 . 1 1 54 54 ALA H H 1 6.9870 0.005 . 1 . . . . 249 ALA H . 17575 1 488 . 1 1 54 54 ALA HA H 1 4.2880 0.005 . 1 . . . A 249 ALA HA . 17575 1 489 . 1 1 54 54 ALA HB1 H 1 1.5410 0.005 . 1 . . . A 249 ALA HB1 . 17575 1 490 . 1 1 54 54 ALA HB2 H 1 1.5410 0.005 . 1 . . . A 249 ALA HB1 . 17575 1 491 . 1 1 54 54 ALA HB3 H 1 1.5410 0.005 . 1 . . . A 249 ALA HB1 . 17575 1 492 . 1 1 54 54 ALA CA C 13 52.8000 0.1 . 1 . . . A 249 ALA CA . 17575 1 493 . 1 1 54 54 ALA CB C 13 18.7280 0.1 . 1 . . . A 249 ALA CB . 17575 1 494 . 1 1 54 54 ALA N N 15 118.1860 0.1 . 1 . . . A 249 ALA N . 17575 1 495 . 1 1 55 55 CYS H H 1 7.3780 0.005 . 1 . . . . 250 CYS H . 17575 1 496 . 1 1 55 55 CYS HA H 1 5.1410 0.005 . 1 . . . A 250 CYS HA . 17575 1 497 . 1 1 55 55 CYS HB2 H 1 3.2260 0.005 . 1 . . . . 250 CYS HB2 . 17575 1 498 . 1 1 55 55 CYS HB3 H 1 2.6400 0.005 . 1 . . . A 250 CYS HB2 . 17575 1 499 . 1 1 55 55 CYS CA C 13 52.6880 0.1 . 1 . . . A 250 CYS CA . 17575 1 500 . 1 1 55 55 CYS CB C 13 41.7970 0.1 . 1 . . . A 250 CYS CB . 17575 1 501 . 1 1 55 55 CYS N N 15 116.7960 0.1 . 1 . . . A 250 CYS N . 17575 1 502 . 1 1 56 56 PRO HA H 1 4.3750 0.005 . 1 . . . A 251 PRO HA . 17575 1 503 . 1 1 56 56 PRO HB2 H 1 2.3000 0.005 . 2 . . . . 251 PRO HB2 . 17575 1 504 . 1 1 56 56 PRO HB3 H 1 2.0000 0.005 . 2 . . . A 251 PRO HB2 . 17575 1 505 . 1 1 56 56 PRO HD2 H 1 3.7200 0.005 . 2 . . . . 251 PRO HD2 . 17575 1 506 . 1 1 56 56 PRO HD3 H 1 3.4300 0.005 . 2 . . . A 251 PRO HD2 . 17575 1 507 . 1 1 56 56 PRO CA C 13 64.5200 0.1 . 1 . . . A 251 PRO CA . 17575 1 508 . 1 1 56 56 PRO CB C 13 31.6800 0.1 . 1 . . . A 251 PRO CB . 17575 1 509 . 1 1 56 56 PRO CD C 13 50.4600 0.1 . 1 . . . A 251 PRO CD . 17575 1 510 . 1 1 57 57 ASP H H 1 8.3750 0.005 . 1 . . . . 252 ASP H . 17575 1 511 . 1 1 57 57 ASP HA H 1 4.7760 0.005 . 1 . . . A 252 ASP HA . 17575 1 512 . 1 1 57 57 ASP HB2 H 1 2.7550 0.005 . 1 . . . . 252 ASP HB2 . 17575 1 513 . 1 1 57 57 ASP HB3 H 1 2.5790 0.005 . 1 . . . A 252 ASP HB2 . 17575 1 514 . 1 1 57 57 ASP CA C 13 54.4700 0.1 . 1 . . . A 252 ASP CA . 17575 1 515 . 1 1 57 57 ASP CB C 13 40.9690 0.1 . 1 . . . A 252 ASP CB . 17575 1 516 . 1 1 57 57 ASP N N 15 115.3180 0.1 . 1 . . . A 252 ASP N . 17575 1 517 . 1 1 58 58 ALA H H 1 8.1920 0.005 . 1 . . . . 253 ALA H . 17575 1 518 . 1 1 58 58 ALA HA H 1 4.2620 0.005 . 1 . . . A 253 ALA HA . 17575 1 519 . 1 1 58 58 ALA HB1 H 1 1.3680 0.005 . 1 . . . A 253 ALA HB1 . 17575 1 520 . 1 1 58 58 ALA HB2 H 1 1.3680 0.005 . 1 . . . A 253 ALA HB1 . 17575 1 521 . 1 1 58 58 ALA HB3 H 1 1.3680 0.005 . 1 . . . A 253 ALA HB1 . 17575 1 522 . 1 1 58 58 ALA CA C 13 52.7580 0.1 . 1 . . . A 253 ALA CA . 17575 1 523 . 1 1 58 58 ALA CB C 13 19.3780 0.1 . 1 . . . A 253 ALA CB . 17575 1 524 . 1 1 58 58 ALA N N 15 123.6180 0.1 . 1 . . . A 253 ALA N . 17575 1 525 . 1 1 59 59 ARG H H 1 8.5210 0.005 . 1 . . . . 254 ARG H . 17575 1 526 . 1 1 59 59 ARG HA H 1 5.0670 0.005 . 1 . . . A 254 ARG HA . 17575 1 527 . 1 1 59 59 ARG HB2 H 1 1.8500 0.005 . 2 . . . . 254 ARG HB2 . 17575 1 528 . 1 1 59 59 ARG HB3 H 1 1.5260 0.005 . 2 . . . A 254 ARG HB2 . 17575 1 529 . 1 1 59 59 ARG HD2 H 1 2.9050 0.005 . 1 . . . . 254 ARG HD2 . 17575 1 530 . 1 1 59 59 ARG HD3 H 1 2.9050 0.005 . 1 . . . A 254 ARG HD2 . 17575 1 531 . 1 1 59 59 ARG CA C 13 54.2380 0.1 . 1 . . . A 254 ARG CA . 17575 1 532 . 1 1 59 59 ARG CB C 13 32.1840 0.1 . 1 . . . A 254 ARG CB . 17575 1 533 . 1 1 59 59 ARG CD C 13 42.9870 0.1 . 1 . . . A 254 ARG CD . 17575 1 534 . 1 1 59 59 ARG N N 15 121.1120 0.1 . 1 . . . A 254 ARG N . 17575 1 535 . 1 1 60 60 VAL H H 1 8.5320 0.005 . 1 . . . . 255 VAL H . 17575 1 536 . 1 1 60 60 VAL HA H 1 5.1650 0.005 . 1 . . . A 255 VAL HA . 17575 1 537 . 1 1 60 60 VAL HB H 1 1.9330 0.005 . 1 . . . A 255 VAL HB . 17575 1 538 . 1 1 60 60 VAL HG11 H 1 0.7760 0.005 . 2 . . . A 255 VAL HG11 . 17575 1 539 . 1 1 60 60 VAL HG12 H 1 0.7760 0.005 . 2 . . . A 255 VAL HG11 . 17575 1 540 . 1 1 60 60 VAL HG13 H 1 0.7760 0.005 . 2 . . . A 255 VAL HG11 . 17575 1 541 . 1 1 60 60 VAL HG21 H 1 0.7850 0.005 . 2 . . . A 255 VAL HG21 . 17575 1 542 . 1 1 60 60 VAL HG22 H 1 0.7850 0.005 . 2 . . . A 255 VAL HG21 . 17575 1 543 . 1 1 60 60 VAL HG23 H 1 0.7850 0.005 . 2 . . . A 255 VAL HG21 . 17575 1 544 . 1 1 60 60 VAL CA C 13 58.8240 0.1 . 1 . . . A 255 VAL CA . 17575 1 545 . 1 1 60 60 VAL CB C 13 35.8700 0.1 . 1 . . . A 255 VAL CB . 17575 1 546 . 1 1 60 60 VAL CG1 C 13 22.4700 0.1 . 1 . . . A 255 VAL CG1 . 17575 1 547 . 1 1 60 60 VAL CG2 C 13 20.3600 0.1 . 1 . . . A 255 VAL CG2 . 17575 1 548 . 1 1 60 60 VAL N N 15 114.6410 0.1 . 1 . . . A 255 VAL N . 17575 1 549 . 1 1 61 61 THR H H 1 9.6370 0.005 . 1 . . . . 256 THR H . 17575 1 550 . 1 1 61 61 THR HA H 1 4.8580 0.005 . 1 . . . A 256 THR HA . 17575 1 551 . 1 1 61 61 THR HB H 1 3.8880 0.005 . 1 . . . A 256 THR HB . 17575 1 552 . 1 1 61 61 THR HG21 H 1 1.0370 0.005 . 1 . . . A 256 THR HG21 . 17575 1 553 . 1 1 61 61 THR HG22 H 1 1.0370 0.005 . 1 . . . A 256 THR HG21 . 17575 1 554 . 1 1 61 61 THR HG23 H 1 1.0370 0.005 . 1 . . . A 256 THR HG21 . 17575 1 555 . 1 1 61 61 THR CA C 13 61.9240 0.1 . 1 . . . A 256 THR CA . 17575 1 556 . 1 1 61 61 THR CB C 13 70.4170 0.1 . 1 . . . A 256 THR CB . 17575 1 557 . 1 1 61 61 THR CG2 C 13 22.0700 0.1 . 1 . . . A 256 THR CG2 . 17575 1 558 . 1 1 61 61 THR N N 15 123.1800 0.1 . 1 . . . A 256 THR N . 17575 1 559 . 1 1 62 62 ILE H H 1 9.2400 0.005 . 1 . . . . 257 ILE H . 17575 1 560 . 1 1 62 62 ILE HA H 1 4.5300 0.005 . 1 . . . A 257 ILE HA . 17575 1 561 . 1 1 62 62 ILE HB H 1 2.1290 0.005 . 1 . . . A 257 ILE HB . 17575 1 562 . 1 1 62 62 ILE HG12 H 1 1.3120 0.005 . 1 . . . . 257 ILE HG12 . 17575 1 563 . 1 1 62 62 ILE HG13 H 1 1.3120 0.005 . 1 . . . A 257 ILE HG12 . 17575 1 564 . 1 1 62 62 ILE HG21 H 1 0.9280 0.005 . 1 . . . A 257 ILE HG21 . 17575 1 565 . 1 1 62 62 ILE HG22 H 1 0.9280 0.005 . 1 . . . A 257 ILE HG21 . 17575 1 566 . 1 1 62 62 ILE HG23 H 1 0.9280 0.005 . 1 . . . A 257 ILE HG21 . 17575 1 567 . 1 1 62 62 ILE HD11 H 1 0.6680 0.005 . 1 . . . A 257 ILE HD11 . 17575 1 568 . 1 1 62 62 ILE HD12 H 1 0.6680 0.005 . 1 . . . A 257 ILE HD11 . 17575 1 569 . 1 1 62 62 ILE HD13 H 1 0.6680 0.005 . 1 . . . A 257 ILE HD11 . 17575 1 570 . 1 1 62 62 ILE CA C 13 58.7110 0.1 . 1 . . . A 257 ILE CA . 17575 1 571 . 1 1 62 62 ILE CB C 13 36.4000 0.1 . 1 . . . A 257 ILE CB . 17575 1 572 . 1 1 62 62 ILE CG1 C 13 27.1400 0.1 . 1 . . . A 257 ILE CG1 . 17575 1 573 . 1 1 62 62 ILE CG2 C 13 19.5200 0.1 . 1 . . . A 257 ILE CG2 . 17575 1 574 . 1 1 62 62 ILE CD1 C 13 12.1300 0.1 . 1 . . . A 257 ILE CD1 . 17575 1 575 . 1 1 62 62 ILE N N 15 127.3850 0.1 . 1 . . . A 257 ILE N . 17575 1 576 . 1 1 63 63 ASN H H 1 8.8260 0.005 . 1 . . . . 258 ASN H . 17575 1 577 . 1 1 63 63 ASN HA H 1 5.4900 0.005 . 1 . . . A 258 ASN HA . 17575 1 578 . 1 1 63 63 ASN HB2 H 1 2.6840 0.005 . 2 . . . . 258 ASN HB2 . 17575 1 579 . 1 1 63 63 ASN HB3 H 1 2.0830 0.005 . 2 . . . A 258 ASN HB2 . 17575 1 580 . 1 1 63 63 ASN HD21 H 1 6.3700 0.005 . 2 . . . A 258 ASN HD21 . 17575 1 581 . 1 1 63 63 ASN HD22 H 1 6.9260 0.005 . 2 . . . A 258 ASN HD22 . 17575 1 582 . 1 1 63 63 ASN CA C 13 51.6000 0.1 . 1 . . . A 258 ASN CA . 17575 1 583 . 1 1 63 63 ASN CB C 13 41.3200 0.1 . 1 . . . A 258 ASN CB . 17575 1 584 . 1 1 63 63 ASN N N 15 125.7980 0.1 . 1 . . . A 258 ASN N . 17575 1 585 . 1 1 63 63 ASN ND2 N 15 108.5820 0.1 . 1 . . . A 258 ASN ND2 . 17575 1 586 . 1 1 64 64 GLY H H 1 9.2470 0.005 . 1 . . . . 259 GLY H . 17575 1 587 . 1 1 64 64 GLY HA2 H 1 3.8180 0.005 . 2 . . . A 259 GLY HA2 . 17575 1 588 . 1 1 64 64 GLY HA3 H 1 4.9400 0.005 . 2 . . . A 259 GLY HA3 . 17575 1 589 . 1 1 64 64 GLY CA C 13 44.1300 0.1 . 1 . . . A 259 GLY CA . 17575 1 590 . 1 1 64 64 GLY N N 15 109.8820 0.1 . 1 . . . A 259 GLY N . 17575 1 591 . 1 1 65 65 TYR H H 1 8.5660 0.005 . 1 . . . . 260 TYR H . 17575 1 592 . 1 1 65 65 TYR HA H 1 5.5420 0.005 . 1 . . . A 260 TYR HA . 17575 1 593 . 1 1 65 65 TYR HB2 H 1 3.5720 0.005 . 2 . . . . 260 TYR HB2 . 17575 1 594 . 1 1 65 65 TYR HB3 H 1 2.7630 0.005 . 2 . . . A 260 TYR HB2 . 17575 1 595 . 1 1 65 65 TYR CA C 13 57.1400 0.1 . 1 . . . A 260 TYR CA . 17575 1 596 . 1 1 65 65 TYR CB C 13 44.7180 0.1 . 1 . . . A 260 TYR CB . 17575 1 597 . 1 1 65 65 TYR N N 15 118.5930 0.1 . 1 . . . A 260 TYR N . 17575 1 598 . 1 1 66 66 THR H H 1 8.4300 0.005 . 1 . . . . 261 THR H . 17575 1 599 . 1 1 66 66 THR HA H 1 4.3280 0.005 . 1 . . . A 261 THR HA . 17575 1 600 . 1 1 66 66 THR HB H 1 3.9460 0.005 . 1 . . . A 261 THR HB . 17575 1 601 . 1 1 66 66 THR HG21 H 1 1.2230 0.005 . 1 . . . A 261 THR HG21 . 17575 1 602 . 1 1 66 66 THR HG22 H 1 1.2230 0.005 . 1 . . . A 261 THR HG21 . 17575 1 603 . 1 1 66 66 THR HG23 H 1 1.2230 0.005 . 1 . . . A 261 THR HG21 . 17575 1 604 . 1 1 66 66 THR CA C 13 59.7200 0.1 . 1 . . . A 261 THR CA . 17575 1 605 . 1 1 66 66 THR CB C 13 71.4800 0.1 . 1 . . . A 261 THR CB . 17575 1 606 . 1 1 66 66 THR CG2 C 13 19.9700 0.1 . 1 . . . A 261 THR CG2 . 17575 1 607 . 1 1 66 66 THR N N 15 112.2420 0.1 . 1 . . . A 261 THR N . 17575 1 608 . 1 1 67 67 ASP H H 1 7.7110 0.005 . 1 . . . . 262 ASP H . 17575 1 609 . 1 1 67 67 ASP HA H 1 4.7110 0.005 . 1 . . . A 262 ASP HA . 17575 1 610 . 1 1 67 67 ASP HB2 H 1 3.0590 0.005 . 2 . . . . 262 ASP HB2 . 17575 1 611 . 1 1 67 67 ASP HB3 H 1 3.0590 0.005 . 2 . . . A 262 ASP HB2 . 17575 1 612 . 1 1 67 67 ASP CA C 13 54.0830 0.1 . 1 . . . A 262 ASP CA . 17575 1 613 . 1 1 67 67 ASP CB C 13 41.5650 0.1 . 1 . . . A 262 ASP CB . 17575 1 614 . 1 1 67 67 ASP N N 15 117.3330 0.1 . 1 . . . A 262 ASP N . 17575 1 615 . 1 1 68 68 ASN H H 1 7.0690 0.005 . 1 . . . . 263 ASN H . 17575 1 616 . 1 1 68 68 ASN HA H 1 4.7840 0.005 . 1 . . . A 263 ASN HA . 17575 1 617 . 1 1 68 68 ASN HB2 H 1 3.2360 0.005 . 2 . . . . 263 ASN HB2 . 17575 1 618 . 1 1 68 68 ASN HB3 H 1 2.6550 0.005 . 2 . . . A 263 ASN HB2 . 17575 1 619 . 1 1 68 68 ASN HD21 H 1 6.7280 0.005 . 2 . . . A 263 ASN HD21 . 17575 1 620 . 1 1 68 68 ASN HD22 H 1 7.5430 0.005 . 2 . . . A 263 ASN HD22 . 17575 1 621 . 1 1 68 68 ASN CA C 13 52.2090 0.1 . 1 . . . A 263 ASN CA . 17575 1 622 . 1 1 68 68 ASN CB C 13 38.1500 0.1 . 1 . . . A 263 ASN CB . 17575 1 623 . 1 1 68 68 ASN N N 15 113.6540 0.1 . 1 . . . A 263 ASN N . 17575 1 624 . 1 1 68 68 ASN ND2 N 15 109.4630 0.1 . 1 . . . A 263 ASN ND2 . 17575 1 625 . 1 1 69 69 THR H H 1 8.3150 0.005 . 1 . . . . 264 THR H . 17575 1 626 . 1 1 69 69 THR HA H 1 4.0930 0.005 . 1 . . . A 264 THR HA . 17575 1 627 . 1 1 69 69 THR HB H 1 4.2060 0.005 . 1 . . . A 264 THR HB . 17575 1 628 . 1 1 69 69 THR HG21 H 1 1.2170 0.005 . 1 . . . A 264 THR HG21 . 17575 1 629 . 1 1 69 69 THR HG22 H 1 1.2170 0.005 . 1 . . . A 264 THR HG21 . 17575 1 630 . 1 1 69 69 THR HG23 H 1 1.2170 0.005 . 1 . . . A 264 THR HG21 . 17575 1 631 . 1 1 69 69 THR CA C 13 63.3630 0.1 . 1 . . . A 264 THR CA . 17575 1 632 . 1 1 69 69 THR CB C 13 69.8000 0.1 . 1 . . . A 264 THR CB . 17575 1 633 . 1 1 69 69 THR CG2 C 13 21.9200 0.1 . 1 . . . A 264 THR CG2 . 17575 1 634 . 1 1 69 69 THR N N 15 114.4600 0.1 . 1 . . . A 264 THR N . 17575 1 635 . 1 1 70 70 GLY H H 1 8.2760 0.005 . 1 . . . . 265 GLY H . 17575 1 636 . 1 1 70 70 GLY HA2 H 1 3.9630 0.005 . 2 . . . A 265 GLY HA2 . 17575 1 637 . 1 1 70 70 GLY HA3 H 1 3.9630 0.005 . 2 . . . A 265 GLY HA3 . 17575 1 638 . 1 1 70 70 GLY CA C 13 44.4690 0.1 . 1 . . . A 265 GLY CA . 17575 1 639 . 1 1 70 70 GLY N N 15 109.0940 0.1 . 1 . . . A 265 GLY N . 17575 1 640 . 1 1 71 71 SER H H 1 7.8580 0.005 . 1 . . . . 266 SER H . 17575 1 641 . 1 1 71 71 SER HA H 1 4.6300 0.005 . 1 . . . A 266 SER HA . 17575 1 642 . 1 1 71 71 SER HB2 H 1 4.0460 0.005 . 1 . . . . 266 SER HB2 . 17575 1 643 . 1 1 71 71 SER HB3 H 1 3.8780 0.005 . 1 . . . A 266 SER HB2 . 17575 1 644 . 1 1 71 71 SER CA C 13 57.0200 0.1 . 1 . . . A 266 SER CA . 17575 1 645 . 1 1 71 71 SER CB C 13 64.3400 0.1 . 1 . . . A 266 SER CB . 17575 1 646 . 1 1 71 71 SER N N 15 114.6860 0.1 . 1 . . . A 266 SER N . 17575 1 647 . 1 1 73 73 GLY H H 1 8.4210 0.005 . 1 . . . . 268 GLY H . 17575 1 648 . 1 1 73 73 GLY HA2 H 1 3.8430 0.005 . 2 . . . A 268 GLY HA2 . 17575 1 649 . 1 1 73 73 GLY HA3 H 1 3.8430 0.005 . 2 . . . A 268 GLY HA3 . 17575 1 650 . 1 1 73 73 GLY CA C 13 46.2400 0.1 . 1 . . . A 268 GLY CA . 17575 1 651 . 1 1 73 73 GLY N N 15 104.8510 0.1 . 1 . . . A 268 GLY N . 17575 1 652 . 1 1 74 74 ILE H H 1 7.2440 0.005 . 1 . . . . 269 ILE H . 17575 1 653 . 1 1 74 74 ILE HA H 1 4.2160 0.005 . 1 . . . A 269 ILE HA . 17575 1 654 . 1 1 74 74 ILE HB H 1 1.9700 0.005 . 1 . . . A 269 ILE HB . 17575 1 655 . 1 1 74 74 ILE HG12 H 1 1.4910 0.005 . 2 . . . . 269 ILE HG12 . 17575 1 656 . 1 1 74 74 ILE HG13 H 1 1.2560 0.005 . 2 . . . A 269 ILE HG12 . 17575 1 657 . 1 1 74 74 ILE HG21 H 1 0.9230 0.005 . 1 . . . A 269 ILE HG21 . 17575 1 658 . 1 1 74 74 ILE HG22 H 1 0.9230 0.005 . 1 . . . A 269 ILE HG21 . 17575 1 659 . 1 1 74 74 ILE HG23 H 1 0.9230 0.005 . 1 . . . A 269 ILE HG21 . 17575 1 660 . 1 1 74 74 ILE HD11 H 1 0.8460 0.005 . 1 . . . A 269 ILE HD11 . 17575 1 661 . 1 1 74 74 ILE HD12 H 1 0.8460 0.005 . 1 . . . A 269 ILE HD11 . 17575 1 662 . 1 1 74 74 ILE HD13 H 1 0.8460 0.005 . 1 . . . A 269 ILE HD11 . 17575 1 663 . 1 1 74 74 ILE CA C 13 61.6000 0.1 . 1 . . . A 269 ILE CA . 17575 1 664 . 1 1 74 74 ILE CB C 13 38.6200 0.1 . 1 . . . A 269 ILE CB . 17575 1 665 . 1 1 74 74 ILE CG1 C 13 27.9600 0.1 . 1 . . . A 269 ILE CG1 . 17575 1 666 . 1 1 74 74 ILE CG2 C 13 17.4100 0.1 . 1 . . . A 269 ILE CG2 . 17575 1 667 . 1 1 74 74 ILE CD1 C 13 12.1400 0.1 . 1 . . . A 269 ILE CD1 . 17575 1 668 . 1 1 74 74 ILE N N 15 118.4870 0.1 . 1 . . . A 269 ILE N . 17575 1 669 . 1 1 75 75 ASN H H 1 8.4630 0.005 . 1 . . . . 270 ASN H . 17575 1 670 . 1 1 75 75 ASN HA H 1 4.5420 0.005 . 1 . . . A 270 ASN HA . 17575 1 671 . 1 1 75 75 ASN HB2 H 1 2.7940 0.005 . 1 . . . . 270 ASN HB2 . 17575 1 672 . 1 1 75 75 ASN HB3 H 1 2.7940 0.005 . 1 . . . A 270 ASN HB2 . 17575 1 673 . 1 1 75 75 ASN HD21 H 1 6.8640 0.005 . 2 . . . A 270 ASN HD21 . 17575 1 674 . 1 1 75 75 ASN HD22 H 1 7.3960 0.005 . 2 . . . A 270 ASN HD22 . 17575 1 675 . 1 1 75 75 ASN CA C 13 55.5300 0.1 . 1 . . . A 270 ASN CA . 17575 1 676 . 1 1 75 75 ASN CB C 13 38.2700 0.1 . 1 . . . A 270 ASN CB . 17575 1 677 . 1 1 75 75 ASN N N 15 120.2610 0.1 . 1 . . . A 270 ASN N . 17575 1 678 . 1 1 75 75 ASN ND2 N 15 111.1540 0.1 . 1 . . . A 270 ASN ND2 . 17575 1 679 . 1 1 76 76 ILE H H 1 8.6370 0.005 . 1 . . . . 271 ILE H . 17575 1 680 . 1 1 76 76 ILE HA H 1 3.5940 0.005 . 1 . . . A 271 ILE HA . 17575 1 681 . 1 1 76 76 ILE HB H 1 2.0740 0.005 . 1 . . . A 271 ILE HB . 17575 1 682 . 1 1 76 76 ILE HG12 H 1 1.7670 0.005 . 1 . . . . 271 ILE HG12 . 17575 1 683 . 1 1 76 76 ILE HG13 H 1 0.9250 0.005 . 1 . . . A 271 ILE HG12 . 17575 1 684 . 1 1 76 76 ILE HG21 H 1 0.8660 0.005 . 1 . . . A 271 ILE HG21 . 17575 1 685 . 1 1 76 76 ILE HG22 H 1 0.8660 0.005 . 1 . . . A 271 ILE HG21 . 17575 1 686 . 1 1 76 76 ILE HG23 H 1 0.8660 0.005 . 1 . . . A 271 ILE HG21 . 17575 1 687 . 1 1 76 76 ILE HD11 H 1 0.8460 0.005 . 1 . . . A 271 ILE HD11 . 17575 1 688 . 1 1 76 76 ILE HD12 H 1 0.8460 0.005 . 1 . . . A 271 ILE HD11 . 17575 1 689 . 1 1 76 76 ILE HD13 H 1 0.8460 0.005 . 1 . . . A 271 ILE HD11 . 17575 1 690 . 1 1 76 76 ILE CA C 13 67.4250 0.1 . 1 . . . A 271 ILE CA . 17575 1 691 . 1 1 76 76 ILE CB C 13 35.1600 0.1 . 1 . . . A 271 ILE CB . 17575 1 692 . 1 1 76 76 ILE CG1 C 13 29.6000 0.1 . 1 . . . A 271 ILE CG1 . 17575 1 693 . 1 1 76 76 ILE CG2 C 13 16.1200 0.1 . 1 . . . A 271 ILE CG2 . 17575 1 694 . 1 1 76 76 ILE CD1 C 13 12.2600 0.1 . 1 . . . A 271 ILE CD1 . 17575 1 695 . 1 1 76 76 ILE N N 15 120.3870 0.1 . 1 . . . A 271 ILE N . 17575 1 696 . 1 1 77 77 PRO HA H 1 4.4550 0.005 . 1 . . . A 272 PRO HA . 17575 1 697 . 1 1 77 77 PRO HB2 H 1 2.3000 0.005 . 2 . . . . 272 PRO HB2 . 17575 1 698 . 1 1 77 77 PRO HB3 H 1 1.9450 0.005 . 2 . . . A 272 PRO HB2 . 17575 1 699 . 1 1 77 77 PRO HG2 H 1 2.0850 0.005 . 2 . . . . 272 PRO HG2 . 17575 1 700 . 1 1 77 77 PRO HG3 H 1 2.0850 0.005 . 2 . . . A 272 PRO HG2 . 17575 1 701 . 1 1 77 77 PRO HD2 H 1 3.5300 0.005 . 1 . . . . 272 PRO HD2 . 17575 1 702 . 1 1 77 77 PRO HD3 H 1 3.5300 0.005 . 1 . . . A 272 PRO HD2 . 17575 1 703 . 1 1 77 77 PRO CA C 13 65.9300 0.1 . 1 . . . A 272 PRO CA . 17575 1 704 . 1 1 77 77 PRO CB C 13 30.3000 0.1 . 1 . . . A 272 PRO CB . 17575 1 705 . 1 1 77 77 PRO CG C 13 27.0200 0.1 . 1 . . . A 272 PRO CG . 17575 1 706 . 1 1 77 77 PRO CD C 13 49.9900 0.1 . 1 . . . A 272 PRO CD . 17575 1 707 . 1 1 78 78 LEU H H 1 7.7490 0.005 . 1 . . . . 273 LEU H . 17575 1 708 . 1 1 78 78 LEU HA H 1 4.1780 0.005 . 1 . . . A 273 LEU HA . 17575 1 709 . 1 1 78 78 LEU HB2 H 1 1.7530 0.005 . 2 . . . . 273 LEU HB2 . 17575 1 710 . 1 1 78 78 LEU HB3 H 1 1.6130 0.005 . 2 . . . A 273 LEU HB2 . 17575 1 711 . 1 1 78 78 LEU HG H 1 1.5200 0.005 . 1 . . . A 273 LEU HG . 17575 1 712 . 1 1 78 78 LEU HD11 H 1 0.8830 0.005 . 1 . . . A 273 LEU HD11 . 17575 1 713 . 1 1 78 78 LEU HD12 H 1 0.8830 0.005 . 1 . . . A 273 LEU HD11 . 17575 1 714 . 1 1 78 78 LEU HD13 H 1 0.8830 0.005 . 1 . . . A 273 LEU HD11 . 17575 1 715 . 1 1 78 78 LEU HD21 H 1 0.8800 0.005 . 1 . . . A 273 LEU HD21 . 17575 1 716 . 1 1 78 78 LEU HD22 H 1 0.8800 0.005 . 1 . . . A 273 LEU HD21 . 17575 1 717 . 1 1 78 78 LEU HD23 H 1 0.8800 0.005 . 1 . . . A 273 LEU HD21 . 17575 1 718 . 1 1 78 78 LEU CA C 13 58.3100 0.1 . 1 . . . A 273 LEU CA . 17575 1 719 . 1 1 78 78 LEU CB C 13 42.3700 0.1 . 1 . . . A 273 LEU CB . 17575 1 720 . 1 1 78 78 LEU CG C 13 27.1400 0.1 . 1 . . . A 273 LEU CG . 17575 1 721 . 1 1 78 78 LEU CD1 C 13 24.0900 0.1 . 1 . . . A 273 LEU CD1 . 17575 1 722 . 1 1 78 78 LEU CD2 C 13 24.0900 0.1 . 1 . . . A 273 LEU CD2 . 17575 1 723 . 1 1 78 78 LEU N N 15 119.5010 0.1 . 1 . . . A 273 LEU N . 17575 1 724 . 1 1 79 79 SER H H 1 8.4070 0.005 . 1 . . . . 274 SER H . 17575 1 725 . 1 1 79 79 SER HA H 1 3.7590 0.005 . 1 . . . A 274 SER HA . 17575 1 726 . 1 1 79 79 SER HB2 H 1 3.8500 0.005 . 2 . . . . 274 SER HB2 . 17575 1 727 . 1 1 79 79 SER HB3 H 1 3.8500 0.005 . 2 . . . A 274 SER HB2 . 17575 1 728 . 1 1 79 79 SER HG H 1 5.6020 0.005 . 1 . . . A 274 SER HG . 17575 1 729 . 1 1 79 79 SER CA C 13 62.0660 0.1 . 1 . . . A 274 SER CA . 17575 1 730 . 1 1 79 79 SER N N 15 115.3060 0.1 . 1 . . . A 274 SER N . 17575 1 731 . 1 1 80 80 ALA H H 1 8.0980 0.005 . 1 . . . . 275 ALA H . 17575 1 732 . 1 1 80 80 ALA HA H 1 3.8580 0.005 . 1 . . . A 275 ALA HA . 17575 1 733 . 1 1 80 80 ALA HB1 H 1 1.5010 0.005 . 1 . . . A 275 ALA HB1 . 17575 1 734 . 1 1 80 80 ALA HB2 H 1 1.5010 0.005 . 1 . . . A 275 ALA HB1 . 17575 1 735 . 1 1 80 80 ALA HB3 H 1 1.5010 0.005 . 1 . . . A 275 ALA HB1 . 17575 1 736 . 1 1 80 80 ALA CA C 13 54.7800 0.1 . 1 . . . A 275 ALA CA . 17575 1 737 . 1 1 80 80 ALA CB C 13 17.4770 0.1 . 1 . . . A 275 ALA CB . 17575 1 738 . 1 1 80 80 ALA N N 15 127.5320 0.1 . 1 . . . A 275 ALA N . 17575 1 739 . 1 1 81 81 GLN H H 1 8.0440 0.005 . 1 . . . . 276 GLN H . 17575 1 740 . 1 1 81 81 GLN HA H 1 4.0720 0.005 . 1 . . . A 276 GLN HA . 17575 1 741 . 1 1 81 81 GLN HB2 H 1 2.2600 0.005 . 2 . . . . 276 GLN HB2 . 17575 1 742 . 1 1 81 81 GLN HB3 H 1 2.2600 0.005 . 2 . . . A 276 GLN HB2 . 17575 1 743 . 1 1 81 81 GLN HG2 H 1 2.4800 0.005 . 2 . . . . 276 GLN HG2 . 17575 1 744 . 1 1 81 81 GLN HG3 H 1 2.4200 0.005 . 2 . . . A 276 GLN HG2 . 17575 1 745 . 1 1 81 81 GLN HE21 H 1 6.8200 0.005 . 2 . . . A 276 GLN HE21 . 17575 1 746 . 1 1 81 81 GLN HE22 H 1 7.3520 0.005 . 2 . . . A 276 GLN HE22 . 17575 1 747 . 1 1 81 81 GLN CA C 13 58.5340 0.1 . 1 . . . A 276 GLN CA . 17575 1 748 . 1 1 81 81 GLN CB C 13 27.6010 0.1 . 1 . . . A 276 GLN CB . 17575 1 749 . 1 1 81 81 GLN CG C 13 33.4310 0.1 . 1 . . . A 276 GLN CG . 17575 1 750 . 1 1 81 81 GLN N N 15 120.1440 0.1 . 1 . . . A 276 GLN N . 17575 1 751 . 1 1 81 81 GLN NE2 N 15 110.8230 0.1 . 1 . . . A 276 GLN NE2 . 17575 1 752 . 1 1 82 82 ARG H H 1 7.4840 0.005 . 1 . . . . 277 ARG H . 17575 1 753 . 1 1 82 82 ARG HA H 1 3.8540 0.005 . 1 . . . A 277 ARG HA . 17575 1 754 . 1 1 82 82 ARG HB2 H 1 1.5960 0.005 . 1 . . . . 277 ARG HB2 . 17575 1 755 . 1 1 82 82 ARG HB3 H 1 1.2500 0.005 . 1 . . . A 277 ARG HB2 . 17575 1 756 . 1 1 82 82 ARG HG2 H 1 1.3480 0.005 . 1 . . . . 277 ARG HG2 . 17575 1 757 . 1 1 82 82 ARG HG3 H 1 0.8630 0.005 . 1 . . . A 277 ARG HG2 . 17575 1 758 . 1 1 82 82 ARG HD2 H 1 2.6300 0.005 . 1 . . . . 277 ARG HD2 . 17575 1 759 . 1 1 82 82 ARG HD3 H 1 1.8600 0.005 . 1 . . . A 277 ARG HD2 . 17575 1 760 . 1 1 82 82 ARG CA C 13 60.0700 0.1 . 1 . . . A 277 ARG CA . 17575 1 761 . 1 1 82 82 ARG CB C 13 28.7080 0.1 . 1 . . . A 277 ARG CB . 17575 1 762 . 1 1 82 82 ARG CG C 13 29.4900 0.1 . 1 . . . A 277 ARG CG . 17575 1 763 . 1 1 82 82 ARG CD C 13 42.9600 0.1 . 1 . . . A 277 ARG CD . 17575 1 764 . 1 1 82 82 ARG N N 15 118.4590 0.1 . 1 . . . A 277 ARG N . 17575 1 765 . 1 1 83 83 ALA H H 1 7.3560 0.005 . 1 . . . . 278 ALA H . 17575 1 766 . 1 1 83 83 ALA HA H 1 3.9860 0.005 . 1 . . . A 278 ALA HA . 17575 1 767 . 1 1 83 83 ALA HB1 H 1 1.3590 0.005 . 1 . . . A 278 ALA HB1 . 17575 1 768 . 1 1 83 83 ALA HB2 H 1 1.3590 0.005 . 1 . . . A 278 ALA HB1 . 17575 1 769 . 1 1 83 83 ALA HB3 H 1 1.3590 0.005 . 1 . . . A 278 ALA HB1 . 17575 1 770 . 1 1 83 83 ALA CA C 13 55.0130 0.1 . 1 . . . A 278 ALA CA . 17575 1 771 . 1 1 83 83 ALA CB C 13 18.0920 0.1 . 1 . . . A 278 ALA CB . 17575 1 772 . 1 1 83 83 ALA N N 15 119.1200 0.1 . 1 . . . A 278 ALA N . 17575 1 773 . 1 1 84 84 LYS H H 1 8.1560 0.005 . 1 . . . . 279 LYS H . 17575 1 774 . 1 1 84 84 LYS HA H 1 3.9620 0.005 . 1 . . . A 279 LYS HA . 17575 1 775 . 1 1 84 84 LYS HB2 H 1 2.0750 0.005 . 2 . . . . 279 LYS HB2 . 17575 1 776 . 1 1 84 84 LYS HB3 H 1 1.8830 0.005 . 2 . . . A 279 LYS HB2 . 17575 1 777 . 1 1 84 84 LYS HG2 H 1 1.5050 0.005 . 1 . . . . 279 LYS HG2 . 17575 1 778 . 1 1 84 84 LYS HG3 H 1 1.5050 0.005 . 1 . . . A 279 LYS HG2 . 17575 1 779 . 1 1 84 84 LYS CA C 13 59.2010 0.1 . 1 . . . A 279 LYS CA . 17575 1 780 . 1 1 84 84 LYS CB C 13 32.4100 0.1 . 1 . . . A 279 LYS CB . 17575 1 781 . 1 1 84 84 LYS CG C 13 25.1500 0.1 . 1 . . . A 279 LYS CG . 17575 1 782 . 1 1 84 84 LYS N N 15 119.1870 0.1 . 1 . . . A 279 LYS N . 17575 1 783 . 1 1 85 85 ILE H H 1 7.8530 0.005 . 1 . . . . 280 ILE H . 17575 1 784 . 1 1 85 85 ILE HA H 1 3.9610 0.005 . 1 . . . A 280 ILE HA . 17575 1 785 . 1 1 85 85 ILE HB H 1 2.2470 0.005 . 1 . . . A 280 ILE HB . 17575 1 786 . 1 1 85 85 ILE HG12 H 1 1.9440 0.005 . 2 . . . . 280 ILE HG12 . 17575 1 787 . 1 1 85 85 ILE HG13 H 1 1.3420 0.005 . 2 . . . A 280 ILE HG12 . 17575 1 788 . 1 1 85 85 ILE HG21 H 1 1.0510 0.005 . 1 . . . A 280 ILE HG21 . 17575 1 789 . 1 1 85 85 ILE HG22 H 1 1.0510 0.005 . 1 . . . A 280 ILE HG21 . 17575 1 790 . 1 1 85 85 ILE HG23 H 1 1.0510 0.005 . 1 . . . A 280 ILE HG21 . 17575 1 791 . 1 1 85 85 ILE HD11 H 1 1.0720 0.005 . 1 . . . A 280 ILE HD11 . 17575 1 792 . 1 1 85 85 ILE HD12 H 1 1.0720 0.005 . 1 . . . A 280 ILE HD11 . 17575 1 793 . 1 1 85 85 ILE HD13 H 1 1.0720 0.005 . 1 . . . A 280 ILE HD11 . 17575 1 794 . 1 1 85 85 ILE CA C 13 65.0180 0.1 . 1 . . . A 280 ILE CA . 17575 1 795 . 1 1 85 85 ILE CB C 13 38.2700 0.1 . 1 . . . A 280 ILE CB . 17575 1 796 . 1 1 85 85 ILE CG1 C 13 29.2500 0.1 . 1 . . . A 280 ILE CG1 . 17575 1 797 . 1 1 85 85 ILE CG2 C 13 16.8000 0.1 . 1 . . . A 280 ILE CG2 . 17575 1 798 . 1 1 85 85 ILE CD1 C 13 13.9000 0.1 . 1 . . . A 280 ILE CD1 . 17575 1 799 . 1 1 85 85 ILE N N 15 118.9930 0.1 . 1 . . . A 280 ILE N . 17575 1 800 . 1 1 86 86 VAL H H 1 7.1280 0.005 . 1 . . . . 281 VAL H . 17575 1 801 . 1 1 86 86 VAL HA H 1 3.6180 0.005 . 1 . . . A 281 VAL HA . 17575 1 802 . 1 1 86 86 VAL HB H 1 2.2930 0.005 . 1 . . . A 281 VAL HB . 17575 1 803 . 1 1 86 86 VAL HG11 H 1 1.1400 0.005 . 2 . . . A 281 VAL HG11 . 17575 1 804 . 1 1 86 86 VAL HG12 H 1 1.1400 0.005 . 2 . . . A 281 VAL HG11 . 17575 1 805 . 1 1 86 86 VAL HG13 H 1 1.1400 0.005 . 2 . . . A 281 VAL HG11 . 17575 1 806 . 1 1 86 86 VAL HG21 H 1 0.9680 0.005 . 2 . . . A 281 VAL HG21 . 17575 1 807 . 1 1 86 86 VAL HG22 H 1 0.9680 0.005 . 2 . . . A 281 VAL HG21 . 17575 1 808 . 1 1 86 86 VAL HG23 H 1 0.9680 0.005 . 2 . . . A 281 VAL HG21 . 17575 1 809 . 1 1 86 86 VAL CA C 13 66.6770 0.1 . 1 . . . A 281 VAL CA . 17575 1 810 . 1 1 86 86 VAL CB C 13 31.3160 0.1 . 1 . . . A 281 VAL CB . 17575 1 811 . 1 1 86 86 VAL CG1 C 13 24.2780 0.1 . 1 . . . A 281 VAL CG1 . 17575 1 812 . 1 1 86 86 VAL CG2 C 13 21.3000 0.1 . 1 . . . A 281 VAL CG2 . 17575 1 813 . 1 1 86 86 VAL N N 15 119.3580 0.1 . 1 . . . A 281 VAL N . 17575 1 814 . 1 1 87 87 ALA H H 1 8.6400 0.005 . 1 . . . . 282 ALA H . 17575 1 815 . 1 1 87 87 ALA HA H 1 3.8520 0.005 . 1 . . . A 282 ALA HA . 17575 1 816 . 1 1 87 87 ALA HB1 H 1 1.4600 0.005 . 1 . . . A 282 ALA HB1 . 17575 1 817 . 1 1 87 87 ALA HB2 H 1 1.4600 0.005 . 1 . . . A 282 ALA HB1 . 17575 1 818 . 1 1 87 87 ALA HB3 H 1 1.4600 0.005 . 1 . . . A 282 ALA HB1 . 17575 1 819 . 1 1 87 87 ALA CA C 13 56.0700 0.1 . 1 . . . A 282 ALA CA . 17575 1 820 . 1 1 87 87 ALA CB C 13 19.5350 0.1 . 1 . . . A 282 ALA CB . 17575 1 821 . 1 1 87 87 ALA N N 15 123.4080 0.1 . 1 . . . A 282 ALA N . 17575 1 822 . 1 1 88 88 ASP H H 1 9.2710 0.005 . 1 . . . . 283 ASP H . 17575 1 823 . 1 1 88 88 ASP HA H 1 4.2780 0.005 . 1 . . . A 283 ASP HA . 17575 1 824 . 1 1 88 88 ASP HB2 H 1 2.8550 0.005 . 2 . . . . 283 ASP HB2 . 17575 1 825 . 1 1 88 88 ASP HB3 H 1 2.5920 0.005 . 2 . . . A 283 ASP HB2 . 17575 1 826 . 1 1 88 88 ASP CA C 13 57.0200 0.1 . 1 . . . A 283 ASP CA . 17575 1 827 . 1 1 88 88 ASP CB C 13 39.6830 0.1 . 1 . . . A 283 ASP CB . 17575 1 828 . 1 1 88 88 ASP N N 15 116.3020 0.1 . 1 . . . A 283 ASP N . 17575 1 829 . 1 1 89 89 TYR H H 1 7.7290 0.005 . 1 . . . . 284 TYR H . 17575 1 830 . 1 1 89 89 TYR HA H 1 4.1750 0.005 . 1 . . . A 284 TYR HA . 17575 1 831 . 1 1 89 89 TYR HB2 H 1 3.2140 0.005 . 2 . . . . 284 TYR HB2 . 17575 1 832 . 1 1 89 89 TYR HB3 H 1 3.1220 0.005 . 2 . . . A 284 TYR HB2 . 17575 1 833 . 1 1 89 89 TYR HD1 H 1 6.9480 0.005 . 1 . . . A 284 TYR HD1 . 17575 1 834 . 1 1 89 89 TYR HD2 H 1 6.9480 0.005 . 1 . . . A 284 TYR HD2 . 17575 1 835 . 1 1 89 89 TYR HE1 H 1 6.8170 0.005 . 1 . . . A 284 TYR HE1 . 17575 1 836 . 1 1 89 89 TYR HE2 H 1 6.8170 0.005 . 1 . . . A 284 TYR HE2 . 17575 1 837 . 1 1 89 89 TYR CA C 13 62.4100 0.1 . 1 . . . A 284 TYR CA . 17575 1 838 . 1 1 89 89 TYR CB C 13 38.3900 0.1 . 1 . . . A 284 TYR CB . 17575 1 839 . 1 1 89 89 TYR CD1 C 13 132.6100 0.1 . 1 . . . A 284 TYR CD1 . 17575 1 840 . 1 1 89 89 TYR CD2 C 13 132.6100 0.1 . 1 . . . A 284 TYR CD2 . 17575 1 841 . 1 1 89 89 TYR N N 15 122.8370 0.1 . 1 . . . A 284 TYR N . 17575 1 842 . 1 1 90 90 LEU H H 1 8.1840 0.005 . 1 . . . . 285 LEU H . 17575 1 843 . 1 1 90 90 LEU HA H 1 3.8250 0.005 . 1 . . . A 285 LEU HA . 17575 1 844 . 1 1 90 90 LEU HB2 H 1 2.2030 0.005 . 1 . . . . 285 LEU HB2 . 17575 1 845 . 1 1 90 90 LEU HB3 H 1 1.0410 0.005 . 1 . . . A 285 LEU HB2 . 17575 1 846 . 1 1 90 90 LEU HG H 1 2.1400 0.005 . 1 . . . A 285 LEU HG . 17575 1 847 . 1 1 90 90 LEU HD11 H 1 0.7430 0.005 . 1 . . . A 285 LEU HD11 . 17575 1 848 . 1 1 90 90 LEU HD12 H 1 0.7430 0.005 . 1 . . . A 285 LEU HD11 . 17575 1 849 . 1 1 90 90 LEU HD13 H 1 0.7430 0.005 . 1 . . . A 285 LEU HD11 . 17575 1 850 . 1 1 90 90 LEU HD21 H 1 0.8930 0.005 . 1 . . . A 285 LEU HD21 . 17575 1 851 . 1 1 90 90 LEU HD22 H 1 0.8930 0.005 . 1 . . . A 285 LEU HD21 . 17575 1 852 . 1 1 90 90 LEU HD23 H 1 0.8930 0.005 . 1 . . . A 285 LEU HD21 . 17575 1 853 . 1 1 90 90 LEU CA C 13 58.3340 0.1 . 1 . . . A 285 LEU CA . 17575 1 854 . 1 1 90 90 LEU CB C 13 41.0800 0.1 . 1 . . . A 285 LEU CB . 17575 1 855 . 1 1 90 90 LEU CG C 13 26.4000 0.1 . 1 . . . A 285 LEU CG . 17575 1 856 . 1 1 90 90 LEU CD1 C 13 26.0880 0.1 . 1 . . . A 285 LEU CD1 . 17575 1 857 . 1 1 90 90 LEU CD2 C 13 23.8600 0.1 . 1 . . . A 285 LEU CD2 . 17575 1 858 . 1 1 90 90 LEU N N 15 117.8710 0.1 . 1 . . . A 285 LEU N . 17575 1 859 . 1 1 91 91 VAL H H 1 8.4510 0.005 . 1 . . . . 286 VAL H . 17575 1 860 . 1 1 91 91 VAL HA H 1 4.3650 0.005 . 1 . . . A 286 VAL HA . 17575 1 861 . 1 1 91 91 VAL HB H 1 2.0950 0.005 . 1 . . . A 286 VAL HB . 17575 1 862 . 1 1 91 91 VAL HG11 H 1 1.0480 0.005 . 1 . . . A 286 VAL HG11 . 17575 1 863 . 1 1 91 91 VAL HG12 H 1 1.0480 0.005 . 1 . . . A 286 VAL HG11 . 17575 1 864 . 1 1 91 91 VAL HG13 H 1 1.0480 0.005 . 1 . . . A 286 VAL HG11 . 17575 1 865 . 1 1 91 91 VAL HG21 H 1 0.9650 0.005 . 1 . . . A 286 VAL HG21 . 17575 1 866 . 1 1 91 91 VAL HG22 H 1 0.9650 0.005 . 1 . . . A 286 VAL HG21 . 17575 1 867 . 1 1 91 91 VAL HG23 H 1 0.9650 0.005 . 1 . . . A 286 VAL HG21 . 17575 1 868 . 1 1 91 91 VAL CA C 13 65.2900 0.1 . 1 . . . A 286 VAL CA . 17575 1 869 . 1 1 91 91 VAL CB C 13 31.8300 0.1 . 1 . . . A 286 VAL CB . 17575 1 870 . 1 1 91 91 VAL CG1 C 13 23.5100 0.1 . 1 . . . A 286 VAL CG1 . 17575 1 871 . 1 1 91 91 VAL CG2 C 13 21.1500 0.1 . 1 . . . A 286 VAL CG2 . 17575 1 872 . 1 1 91 91 VAL N N 15 121.0200 0.1 . 1 . . . A 286 VAL N . 17575 1 873 . 1 1 92 92 ALA H H 1 7.9990 0.005 . 1 . . . . 287 ALA H . 17575 1 874 . 1 1 92 92 ALA HA H 1 4.0970 0.005 . 1 . . . A 287 ALA HA . 17575 1 875 . 1 1 92 92 ALA HB1 H 1 1.3990 0.005 . 1 . . . A 287 ALA HB1 . 17575 1 876 . 1 1 92 92 ALA HB2 H 1 1.3990 0.005 . 1 . . . A 287 ALA HB1 . 17575 1 877 . 1 1 92 92 ALA HB3 H 1 1.3990 0.005 . 1 . . . A 287 ALA HB1 . 17575 1 878 . 1 1 92 92 ALA CA C 13 54.6560 0.1 . 1 . . . A 287 ALA CA . 17575 1 879 . 1 1 92 92 ALA CB C 13 16.9850 0.1 . 1 . . . A 287 ALA CB . 17575 1 880 . 1 1 92 92 ALA N N 15 125.6050 0.1 . 1 . . . A 287 ALA N . 17575 1 881 . 1 1 93 93 ARG H H 1 7.4200 0.005 . 1 . . . . 288 ARG H . 17575 1 882 . 1 1 93 93 ARG HA H 1 4.1870 0.005 . 1 . . . A 288 ARG HA . 17575 1 883 . 1 1 93 93 ARG HB2 H 1 2.1510 0.005 . 2 . . . . 288 ARG HB2 . 17575 1 884 . 1 1 93 93 ARG HB3 H 1 1.7700 0.005 . 2 . . . A 288 ARG HB2 . 17575 1 885 . 1 1 93 93 ARG HG2 H 1 1.5140 0.005 . 2 . . . . 288 ARG HG2 . 17575 1 886 . 1 1 93 93 ARG HG3 H 1 1.3600 0.005 . 2 . . . A 288 ARG HG2 . 17575 1 887 . 1 1 93 93 ARG HD2 H 1 2.8200 0.005 . 2 . . . . 288 ARG HD2 . 17575 1 888 . 1 1 93 93 ARG HD3 H 1 2.9200 0.005 . 2 . . . A 288 ARG HD2 . 17575 1 889 . 1 1 93 93 ARG CA C 13 53.5100 0.1 . 1 . . . A 288 ARG CA . 17575 1 890 . 1 1 93 93 ARG CB C 13 28.9000 0.1 . 1 . . . A 288 ARG CB . 17575 1 891 . 1 1 93 93 ARG N N 15 114.8680 0.1 . 1 . . . A 288 ARG N . 17575 1 892 . 1 1 94 94 GLY H H 1 7.9110 0.005 . 1 . . . . 289 GLY H . 17575 1 893 . 1 1 94 94 GLY HA2 H 1 3.6690 0.005 . 2 . . . A 289 GLY HA2 . 17575 1 894 . 1 1 94 94 GLY HA3 H 1 4.3000 0.005 . 2 . . . A 289 GLY HA3 . 17575 1 895 . 1 1 94 94 GLY CA C 13 45.1700 0.1 . 1 . . . A 289 GLY CA . 17575 1 896 . 1 1 94 94 GLY N N 15 105.9020 0.1 . 1 . . . A 289 GLY N . 17575 1 897 . 1 1 95 95 VAL H H 1 7.9410 0.005 . 1 . . . . 290 VAL H . 17575 1 898 . 1 1 95 95 VAL HA H 1 3.6700 0.005 . 1 . . . A 290 VAL HA . 17575 1 899 . 1 1 95 95 VAL HB H 1 1.4910 0.005 . 1 . . . A 290 VAL HB . 17575 1 900 . 1 1 95 95 VAL HG11 H 1 0.9420 0.005 . 2 . . . A 290 VAL HG11 . 17575 1 901 . 1 1 95 95 VAL HG12 H 1 0.9420 0.005 . 2 . . . A 290 VAL HG11 . 17575 1 902 . 1 1 95 95 VAL HG13 H 1 0.9420 0.005 . 2 . . . A 290 VAL HG11 . 17575 1 903 . 1 1 95 95 VAL HG21 H 1 0.8820 0.005 . 2 . . . A 290 VAL HG21 . 17575 1 904 . 1 1 95 95 VAL HG22 H 1 0.8820 0.005 . 2 . . . A 290 VAL HG21 . 17575 1 905 . 1 1 95 95 VAL HG23 H 1 0.8820 0.005 . 2 . . . A 290 VAL HG21 . 17575 1 906 . 1 1 95 95 VAL CA C 13 62.9780 0.1 . 1 . . . A 290 VAL CA . 17575 1 907 . 1 1 95 95 VAL CB C 13 31.2400 0.1 . 1 . . . A 290 VAL CB . 17575 1 908 . 1 1 95 95 VAL CG1 C 13 24.2660 0.1 . 1 . . . A 290 VAL CG1 . 17575 1 909 . 1 1 95 95 VAL CG2 C 13 21.4300 0.1 . 1 . . . A 290 VAL CG2 . 17575 1 910 . 1 1 95 95 VAL N N 15 123.8630 0.1 . 1 . . . A 290 VAL N . 17575 1 911 . 1 1 96 96 ALA H H 1 8.3360 0.005 . 1 . . . . 291 ALA H . 17575 1 912 . 1 1 96 96 ALA HA H 1 4.1130 0.005 . 1 . . . A 291 ALA HA . 17575 1 913 . 1 1 96 96 ALA HB1 H 1 1.2070 0.005 . 1 . . . A 291 ALA HB1 . 17575 1 914 . 1 1 96 96 ALA HB2 H 1 1.2070 0.005 . 1 . . . A 291 ALA HB1 . 17575 1 915 . 1 1 96 96 ALA HB3 H 1 1.2070 0.005 . 1 . . . A 291 ALA HB1 . 17575 1 916 . 1 1 96 96 ALA CA C 13 52.8070 0.1 . 1 . . . A 291 ALA CA . 17575 1 917 . 1 1 96 96 ALA CB C 13 18.4900 0.1 . 1 . . . A 291 ALA CB . 17575 1 918 . 1 1 96 96 ALA N N 15 130.7790 0.1 . 1 . . . A 291 ALA N . 17575 1 919 . 1 1 97 97 GLY H H 1 8.9000 0.005 . 1 . . . . 292 GLY H . 17575 1 920 . 1 1 97 97 GLY HA2 H 1 3.6670 0.005 . 2 . . . A 292 GLY HA2 . 17575 1 921 . 1 1 97 97 GLY HA3 H 1 3.9280 0.005 . 2 . . . A 292 GLY HA3 . 17575 1 922 . 1 1 97 97 GLY CA C 13 47.5610 0.1 . 1 . . . A 292 GLY CA . 17575 1 923 . 1 1 97 97 GLY N N 15 112.0460 0.1 . 1 . . . A 292 GLY N . 17575 1 924 . 1 1 98 98 ASP H H 1 8.3930 0.005 . 1 . . . . 293 ASP H . 17575 1 925 . 1 1 98 98 ASP HA H 1 4.6580 0.005 . 1 . . . A 293 ASP HA . 17575 1 926 . 1 1 98 98 ASP HB2 H 1 2.9540 0.005 . 2 . . . . 293 ASP HB2 . 17575 1 927 . 1 1 98 98 ASP HB3 H 1 2.7140 0.005 . 2 . . . A 293 ASP HB2 . 17575 1 928 . 1 1 98 98 ASP CA C 13 54.2100 0.1 . 1 . . . A 293 ASP CA . 17575 1 929 . 1 1 98 98 ASP CB C 13 38.7510 0.1 . 1 . . . A 293 ASP CB . 17575 1 930 . 1 1 98 98 ASP N N 15 115.7540 0.1 . 1 . . . A 293 ASP N . 17575 1 931 . 1 1 99 99 HIS H H 1 8.2860 0.005 . 1 . . . . 294 HIS H . 17575 1 932 . 1 1 99 99 HIS HA H 1 4.6390 0.005 . 1 . . . A 294 HIS HA . 17575 1 933 . 1 1 99 99 HIS HB2 H 1 4.0130 0.005 . 2 . . . . 294 HIS HB2 . 17575 1 934 . 1 1 99 99 HIS HB3 H 1 3.2800 0.005 . 2 . . . A 294 HIS HB2 . 17575 1 935 . 1 1 99 99 HIS HD2 H 1 7.2100 0.005 . 1 . . . A 294 HIS HD2 . 17575 1 936 . 1 1 99 99 HIS HE1 H 1 8.5200 0.005 . 1 . . . A 294 HIS HE1 . 17575 1 937 . 1 1 99 99 HIS CA C 13 55.2950 0.1 . 1 . . . A 294 HIS CA . 17575 1 938 . 1 1 99 99 HIS CB C 13 28.1900 0.1 . 1 . . . A 294 HIS CB . 17575 1 939 . 1 1 99 99 HIS N N 15 117.9980 0.1 . 1 . . . A 294 HIS N . 17575 1 940 . 1 1 100 100 ILE H H 1 7.4280 0.005 . 1 . . . . 295 ILE H . 17575 1 941 . 1 1 100 100 ILE HA H 1 4.8130 0.005 . 1 . . . A 295 ILE HA . 17575 1 942 . 1 1 100 100 ILE HB H 1 1.7190 0.005 . 1 . . . A 295 ILE HB . 17575 1 943 . 1 1 100 100 ILE HG12 H 1 1.6370 0.005 . 1 . . . . 295 ILE HG12 . 17575 1 944 . 1 1 100 100 ILE HG13 H 1 1.6370 0.005 . 1 . . . A 295 ILE HG12 . 17575 1 945 . 1 1 100 100 ILE HG21 H 1 0.7630 0.005 . 1 . . . A 295 ILE HG21 . 17575 1 946 . 1 1 100 100 ILE HG22 H 1 0.7630 0.005 . 1 . . . A 295 ILE HG21 . 17575 1 947 . 1 1 100 100 ILE HG23 H 1 0.7630 0.005 . 1 . . . A 295 ILE HG21 . 17575 1 948 . 1 1 100 100 ILE HD11 H 1 0.7190 0.005 . 1 . . . A 295 ILE HD11 . 17575 1 949 . 1 1 100 100 ILE HD12 H 1 0.7190 0.005 . 1 . . . A 295 ILE HD11 . 17575 1 950 . 1 1 100 100 ILE HD13 H 1 0.7190 0.005 . 1 . . . A 295 ILE HD11 . 17575 1 951 . 1 1 100 100 ILE CA C 13 60.3000 0.1 . 1 . . . A 295 ILE CA . 17575 1 952 . 1 1 100 100 ILE CB C 13 41.2600 0.1 . 1 . . . A 295 ILE CB . 17575 1 953 . 1 1 100 100 ILE CG2 C 13 18.3500 0.1 . 1 . . . A 295 ILE CG2 . 17575 1 954 . 1 1 100 100 ILE CD1 C 13 15.4070 0.1 . 1 . . . A 295 ILE CD1 . 17575 1 955 . 1 1 100 100 ILE N N 15 118.6490 0.1 . 1 . . . A 295 ILE N . 17575 1 956 . 1 1 101 101 ALA H H 1 8.6400 0.005 . 1 . . . . 296 ALA H . 17575 1 957 . 1 1 101 101 ALA HA H 1 4.8860 0.005 . 1 . . . A 296 ALA HA . 17575 1 958 . 1 1 101 101 ALA HB1 H 1 1.4050 0.005 . 1 . . . A 296 ALA HB1 . 17575 1 959 . 1 1 101 101 ALA HB2 H 1 1.4050 0.005 . 1 . . . A 296 ALA HB1 . 17575 1 960 . 1 1 101 101 ALA HB3 H 1 1.4050 0.005 . 1 . . . A 296 ALA HB1 . 17575 1 961 . 1 1 101 101 ALA CA C 13 50.3400 0.1 . 1 . . . A 296 ALA CA . 17575 1 962 . 1 1 101 101 ALA CB C 13 21.6500 0.1 . 1 . . . A 296 ALA CB . 17575 1 963 . 1 1 101 101 ALA N N 15 130.4870 0.1 . 1 . . . A 296 ALA N . 17575 1 964 . 1 1 102 102 THR H H 1 8.5120 0.005 . 1 . . . . 297 THR H . 17575 1 965 . 1 1 102 102 THR HA H 1 5.0450 0.005 . 1 . . . A 297 THR HA . 17575 1 966 . 1 1 102 102 THR HB H 1 3.9520 0.005 . 1 . . . A 297 THR HB . 17575 1 967 . 1 1 102 102 THR HG21 H 1 0.9810 0.005 . 1 . . . A 297 THR HG21 . 17575 1 968 . 1 1 102 102 THR HG22 H 1 0.9810 0.005 . 1 . . . A 297 THR HG21 . 17575 1 969 . 1 1 102 102 THR HG23 H 1 0.9810 0.005 . 1 . . . A 297 THR HG21 . 17575 1 970 . 1 1 102 102 THR CA C 13 60.0600 0.1 . 1 . . . A 297 THR CA . 17575 1 971 . 1 1 102 102 THR CB C 13 70.5430 0.1 . 1 . . . A 297 THR CB . 17575 1 972 . 1 1 102 102 THR CG2 C 13 23.0000 0.1 . 1 . . . A 297 THR CG2 . 17575 1 973 . 1 1 102 102 THR N N 15 113.5430 0.1 . 1 . . . A 297 THR N . 17575 1 974 . 1 1 103 103 VAL H H 1 8.7910 0.005 . 1 . . . . 298 VAL H . 17575 1 975 . 1 1 103 103 VAL HA H 1 4.1960 0.005 . 1 . . . A 298 VAL HA . 17575 1 976 . 1 1 103 103 VAL HB H 1 2.2870 0.005 . 1 . . . A 298 VAL HB . 17575 1 977 . 1 1 103 103 VAL HG11 H 1 0.7560 0.005 . 1 . . . A 298 VAL HG11 . 17575 1 978 . 1 1 103 103 VAL HG12 H 1 0.7560 0.005 . 1 . . . A 298 VAL HG11 . 17575 1 979 . 1 1 103 103 VAL HG13 H 1 0.7560 0.005 . 1 . . . A 298 VAL HG11 . 17575 1 980 . 1 1 103 103 VAL HG21 H 1 0.7560 0.005 . 1 . . . A 298 VAL HG21 . 17575 1 981 . 1 1 103 103 VAL HG22 H 1 0.7560 0.005 . 1 . . . A 298 VAL HG21 . 17575 1 982 . 1 1 103 103 VAL HG23 H 1 0.7560 0.005 . 1 . . . A 298 VAL HG21 . 17575 1 983 . 1 1 103 103 VAL CA C 13 61.7100 0.1 . 1 . . . A 298 VAL CA . 17575 1 984 . 1 1 103 103 VAL CB C 13 35.3400 0.1 . 1 . . . A 298 VAL CB . 17575 1 985 . 1 1 103 103 VAL CG1 C 13 21.5100 0.1 . 1 . . . A 298 VAL CG1 . 17575 1 986 . 1 1 103 103 VAL CG2 C 13 21.5100 0.1 . 1 . . . A 298 VAL CG2 . 17575 1 987 . 1 1 103 103 VAL N N 15 124.6540 0.1 . 1 . . . A 298 VAL N . 17575 1 988 . 1 1 104 104 GLY H H 1 8.6510 0.005 . 1 . . . . 299 GLY H . 17575 1 989 . 1 1 104 104 GLY HA2 H 1 3.2530 0.005 . 2 . . . A 299 GLY HA2 . 17575 1 990 . 1 1 104 104 GLY HA3 H 1 4.1500 0.005 . 2 . . . A 299 GLY HA3 . 17575 1 991 . 1 1 104 104 GLY CA C 13 45.5900 0.1 . 1 . . . A 299 GLY CA . 17575 1 992 . 1 1 104 104 GLY N N 15 113.8060 0.1 . 1 . . . A 299 GLY N . 17575 1 993 . 1 1 105 105 LEU H H 1 8.5450 0.005 . 1 . . . . 300 LEU H . 17575 1 994 . 1 1 105 105 LEU HA H 1 4.3290 0.005 . 1 . . . A 300 LEU HA . 17575 1 995 . 1 1 105 105 LEU HB2 H 1 1.4200 0.005 . 1 . . . . 300 LEU HB2 . 17575 1 996 . 1 1 105 105 LEU HB3 H 1 1.0940 0.005 . 1 . . . A 300 LEU HB2 . 17575 1 997 . 1 1 105 105 LEU HG H 1 1.2070 0.005 . 1 . . . A 300 LEU HG . 17575 1 998 . 1 1 105 105 LEU HD11 H 1 0.6830 0.005 . 1 . . . A 300 LEU HD11 . 17575 1 999 . 1 1 105 105 LEU HD12 H 1 0.6830 0.005 . 1 . . . A 300 LEU HD11 . 17575 1 1000 . 1 1 105 105 LEU HD13 H 1 0.6830 0.005 . 1 . . . A 300 LEU HD11 . 17575 1 1001 . 1 1 105 105 LEU HD21 H 1 0.5610 0.005 . 2 . . . A 300 LEU HD21 . 17575 1 1002 . 1 1 105 105 LEU HD22 H 1 0.5610 0.005 . 2 . . . A 300 LEU HD21 . 17575 1 1003 . 1 1 105 105 LEU HD23 H 1 0.5610 0.005 . 2 . . . A 300 LEU HD21 . 17575 1 1004 . 1 1 105 105 LEU CA C 13 54.2100 0.1 . 1 . . . A 300 LEU CA . 17575 1 1005 . 1 1 105 105 LEU CB C 13 41.7900 0.1 . 1 . . . A 300 LEU CB . 17575 1 1006 . 1 1 105 105 LEU CD1 C 13 23.5100 0.1 . 1 . . . A 300 LEU CD1 . 17575 1 1007 . 1 1 105 105 LEU CD2 C 13 25.8500 0.1 . 1 . . . A 300 LEU CD2 . 17575 1 1008 . 1 1 105 105 LEU N N 15 125.4130 0.1 . 1 . . . A 300 LEU N . 17575 1 1009 . 1 1 106 106 GLY H H 1 8.7050 0.005 . 1 . . . . 301 GLY H . 17575 1 1010 . 1 1 106 106 GLY HA2 H 1 3.0990 0.005 . 2 . . . A 301 GLY HA2 . 17575 1 1011 . 1 1 106 106 GLY HA3 H 1 4.0940 0.005 . 2 . . . A 301 GLY HA3 . 17575 1 1012 . 1 1 106 106 GLY CA C 13 46.1970 0.1 . 1 . . . A 301 GLY CA . 17575 1 1013 . 1 1 106 106 GLY N N 15 108.9170 0.1 . 1 . . . A 301 GLY N . 17575 1 1014 . 1 1 107 107 SER H H 1 9.7160 0.005 . 1 . . . . 302 SER H . 17575 1 1015 . 1 1 107 107 SER HA H 1 4.6580 0.005 . 1 . . . A 302 SER HA . 17575 1 1016 . 1 1 107 107 SER HB2 H 1 3.9360 0.005 . 2 . . . . 302 SER HB2 . 17575 1 1017 . 1 1 107 107 SER HB3 H 1 3.6960 0.005 . 2 . . . A 302 SER HB2 . 17575 1 1018 . 1 1 107 107 SER CA C 13 58.0250 0.1 . 1 . . . A 302 SER CA . 17575 1 1019 . 1 1 107 107 SER CB C 13 64.3480 0.1 . 1 . . . A 302 SER CB . 17575 1 1020 . 1 1 107 107 SER N N 15 120.4060 0.1 . 1 . . . A 302 SER N . 17575 1 1021 . 1 1 108 108 VAL H H 1 6.9870 0.005 . 1 . . . . 303 VAL H . 17575 1 1022 . 1 1 108 108 VAL HA H 1 4.1320 0.005 . 1 . . . A 303 VAL HA . 17575 1 1023 . 1 1 108 108 VAL HB H 1 2.3000 0.005 . 1 . . . A 303 VAL HB . 17575 1 1024 . 1 1 108 108 VAL HG11 H 1 1.1100 0.005 . 1 . . . A 303 VAL HG11 . 17575 1 1025 . 1 1 108 108 VAL HG12 H 1 1.1100 0.005 . 1 . . . A 303 VAL HG11 . 17575 1 1026 . 1 1 108 108 VAL HG13 H 1 1.1100 0.005 . 1 . . . A 303 VAL HG11 . 17575 1 1027 . 1 1 108 108 VAL HG21 H 1 1.1090 0.005 . 1 . . . A 303 VAL HG21 . 17575 1 1028 . 1 1 108 108 VAL HG22 H 1 1.1090 0.005 . 1 . . . A 303 VAL HG21 . 17575 1 1029 . 1 1 108 108 VAL HG23 H 1 1.1090 0.005 . 1 . . . A 303 VAL HG21 . 17575 1 1030 . 1 1 108 108 VAL CA C 13 61.4800 0.1 . 1 . . . A 303 VAL CA . 17575 1 1031 . 1 1 108 108 VAL CB C 13 32.5000 0.1 . 1 . . . A 303 VAL CB . 17575 1 1032 . 1 1 108 108 VAL CG1 C 13 21.4000 0.1 . 1 . . . A 303 VAL CG1 . 17575 1 1033 . 1 1 108 108 VAL CG2 C 13 19.6720 0.1 . 1 . . . A 303 VAL CG2 . 17575 1 1034 . 1 1 108 108 VAL N N 15 118.1190 0.1 . 1 . . . A 303 VAL N . 17575 1 1035 . 1 1 109 109 ASN H H 1 8.7170 0.005 . 1 . . . . 304 ASN H . 17575 1 1036 . 1 1 109 109 ASN HA H 1 4.3500 0.005 . 1 . . . A 304 ASN HA . 17575 1 1037 . 1 1 109 109 ASN HB2 H 1 2.9830 0.005 . 1 . . . . 304 ASN HB2 . 17575 1 1038 . 1 1 109 109 ASN HB3 H 1 2.6470 0.005 . 1 . . . A 304 ASN HB2 . 17575 1 1039 . 1 1 109 109 ASN HD21 H 1 6.9900 0.005 . 1 . . . A 304 ASN HD21 . 17575 1 1040 . 1 1 109 109 ASN HD22 H 1 6.9940 0.005 . 1 . . . A 304 ASN HD22 . 17575 1 1041 . 1 1 109 109 ASN CA C 13 53.2300 0.1 . 1 . . . A 304 ASN CA . 17575 1 1042 . 1 1 109 109 ASN CB C 13 38.3900 0.1 . 1 . . . A 304 ASN CB . 17575 1 1043 . 1 1 109 109 ASN N N 15 114.7800 0.1 . 1 . . . A 304 ASN N . 17575 1 1044 . 1 1 109 109 ASN ND2 N 15 111.0100 0.1 . 1 . . . A 304 ASN ND2 . 17575 1 1045 . 1 1 110 110 PRO HA H 1 4.3360 0.005 . 1 . . . A 305 PRO HA . 17575 1 1046 . 1 1 110 110 PRO HB2 H 1 2.3570 0.005 . 1 . . . . 305 PRO HB2 . 17575 1 1047 . 1 1 110 110 PRO HB3 H 1 2.1740 0.005 . 1 . . . A 305 PRO HB2 . 17575 1 1048 . 1 1 110 110 PRO HG2 H 1 1.9280 0.005 . 1 . . . . 305 PRO HG2 . 17575 1 1049 . 1 1 110 110 PRO HG3 H 1 1.9280 0.005 . 1 . . . A 305 PRO HG2 . 17575 1 1050 . 1 1 110 110 PRO HD2 H 1 3.6700 0.005 . 1 . . . . 305 PRO HD2 . 17575 1 1051 . 1 1 110 110 PRO HD3 H 1 3.6700 0.005 . 1 . . . A 305 PRO HD2 . 17575 1 1052 . 1 1 110 110 PRO CA C 13 63.9100 0.1 . 1 . . . A 305 PRO CA . 17575 1 1053 . 1 1 110 110 PRO CB C 13 30.7010 0.1 . 1 . . . A 305 PRO CB . 17575 1 1054 . 1 1 110 110 PRO CD C 13 50.6300 0.1 . 1 . . . A 305 PRO CD . 17575 1 1055 . 1 1 111 111 ILE H H 1 7.7120 0.005 . 1 . . . . 306 ILE H . 17575 1 1056 . 1 1 111 111 ILE HA H 1 4.2560 0.005 . 1 . . . A 306 ILE HA . 17575 1 1057 . 1 1 111 111 ILE HB H 1 1.8100 0.005 . 1 . . . A 306 ILE HB . 17575 1 1058 . 1 1 111 111 ILE HG12 H 1 1.1230 0.005 . 2 . . . . 306 ILE HG12 . 17575 1 1059 . 1 1 111 111 ILE HG13 H 1 0.8730 0.005 . 2 . . . A 306 ILE HG12 . 17575 1 1060 . 1 1 111 111 ILE HG21 H 1 0.7390 0.005 . 1 . . . A 306 ILE HG21 . 17575 1 1061 . 1 1 111 111 ILE HG22 H 1 0.7390 0.005 . 1 . . . A 306 ILE HG21 . 17575 1 1062 . 1 1 111 111 ILE HG23 H 1 0.7390 0.005 . 1 . . . A 306 ILE HG21 . 17575 1 1063 . 1 1 111 111 ILE HD11 H 1 0.7450 0.005 . 1 . . . A 306 ILE HD11 . 17575 1 1064 . 1 1 111 111 ILE HD12 H 1 0.7450 0.005 . 1 . . . A 306 ILE HD11 . 17575 1 1065 . 1 1 111 111 ILE HD13 H 1 0.7450 0.005 . 1 . . . A 306 ILE HD11 . 17575 1 1066 . 1 1 111 111 ILE CA C 13 60.8900 0.1 . 1 . . . A 306 ILE CA . 17575 1 1067 . 1 1 111 111 ILE CB C 13 39.0000 0.1 . 1 . . . A 306 ILE CB . 17575 1 1068 . 1 1 111 111 ILE CG1 C 13 26.4300 0.1 . 1 . . . A 306 ILE CG1 . 17575 1 1069 . 1 1 111 111 ILE CG2 C 13 17.7600 0.1 . 1 . . . A 306 ILE CG2 . 17575 1 1070 . 1 1 111 111 ILE CD1 C 13 14.4800 0.1 . 1 . . . A 306 ILE CD1 . 17575 1 1071 . 1 1 111 111 ILE N N 15 116.4530 0.1 . 1 . . . A 306 ILE N . 17575 1 1072 . 1 1 112 112 ALA H H 1 8.6780 0.005 . 1 . . . . 307 ALA H . 17575 1 1073 . 1 1 112 112 ALA HA H 1 4.5420 0.005 . 1 . . . A 307 ALA HA . 17575 1 1074 . 1 1 112 112 ALA HB1 H 1 1.3040 0.005 . 1 . . . A 307 ALA HB1 . 17575 1 1075 . 1 1 112 112 ALA HB2 H 1 1.3040 0.005 . 1 . . . A 307 ALA HB1 . 17575 1 1076 . 1 1 112 112 ALA HB3 H 1 1.3040 0.005 . 1 . . . A 307 ALA HB1 . 17575 1 1077 . 1 1 112 112 ALA CA C 13 49.9070 0.1 . 1 . . . A 307 ALA CA . 17575 1 1078 . 1 1 112 112 ALA CB C 13 23.0230 0.1 . 1 . . . A 307 ALA CB . 17575 1 1079 . 1 1 112 112 ALA N N 15 127.3410 0.1 . 1 . . . A 307 ALA N . 17575 1 1080 . 1 1 113 113 SER HA H 1 4.2510 0.005 . 1 . . . A 308 SER HA . 17575 1 1081 . 1 1 113 113 SER HB2 H 1 4.0320 0.005 . 2 . . . . 308 SER HB2 . 17575 1 1082 . 1 1 113 113 SER HB3 H 1 3.7510 0.005 . 2 . . . A 308 SER HB2 . 17575 1 1083 . 1 1 113 113 SER CA C 13 57.9800 0.1 . 1 . . . A 308 SER CA . 17575 1 1084 . 1 1 113 113 SER CB C 13 63.4780 0.1 . 1 . . . A 308 SER CB . 17575 1 1085 . 1 1 114 114 ASN H H 1 8.5820 0.005 . 1 . . . . 309 ASN H . 17575 1 1086 . 1 1 114 114 ASN HA H 1 4.7840 0.005 . 1 . . . A 309 ASN HA . 17575 1 1087 . 1 1 114 114 ASN HB2 H 1 3.1500 0.005 . 2 . . . . 309 ASN HB2 . 17575 1 1088 . 1 1 114 114 ASN HB3 H 1 2.4870 0.005 . 2 . . . A 309 ASN HB2 . 17575 1 1089 . 1 1 114 114 ASN HD21 H 1 7.7390 0.005 . 2 . . . A 309 ASN HD21 . 17575 1 1090 . 1 1 114 114 ASN HD22 H 1 7.7930 0.005 . 2 . . . A 309 ASN HD22 . 17575 1 1091 . 1 1 114 114 ASN CA C 13 54.4920 0.1 . 1 . . . A 309 ASN CA . 17575 1 1092 . 1 1 114 114 ASN CB C 13 39.5600 0.1 . 1 . . . A 309 ASN CB . 17575 1 1093 . 1 1 114 114 ASN N N 15 123.6460 0.1 . 1 . . . A 309 ASN N . 17575 1 1094 . 1 1 114 114 ASN ND2 N 15 116.6240 0.1 . 1 . . . A 309 ASN ND2 . 17575 1 1095 . 1 1 115 115 ALA H H 1 8.5270 0.005 . 1 . . . . 310 ALA H . 17575 1 1096 . 1 1 115 115 ALA HA H 1 4.2450 0.005 . 1 . . . A 310 ALA HA . 17575 1 1097 . 1 1 115 115 ALA HB1 H 1 1.4450 0.005 . 1 . . . A 310 ALA HB1 . 17575 1 1098 . 1 1 115 115 ALA HB2 H 1 1.4450 0.005 . 1 . . . A 310 ALA HB1 . 17575 1 1099 . 1 1 115 115 ALA HB3 H 1 1.4450 0.005 . 1 . . . A 310 ALA HB1 . 17575 1 1100 . 1 1 115 115 ALA CA C 13 53.5630 0.1 . 1 . . . A 310 ALA CA . 17575 1 1101 . 1 1 115 115 ALA CB C 13 19.2670 0.1 . 1 . . . A 310 ALA CB . 17575 1 1102 . 1 1 115 115 ALA N N 15 122.1940 0.1 . 1 . . . A 310 ALA N . 17575 1 1103 . 1 1 116 116 THR H H 1 7.2000 0.005 . 1 . . . . 311 THR H . 17575 1 1104 . 1 1 116 116 THR HA H 1 5.0400 0.005 . 1 . . . A 311 THR HA . 17575 1 1105 . 1 1 116 116 THR HB H 1 4.6390 0.005 . 1 . . . A 311 THR HB . 17575 1 1106 . 1 1 116 116 THR HG21 H 1 1.2170 0.005 . 1 . . . A 311 THR HG21 . 17575 1 1107 . 1 1 116 116 THR HG22 H 1 1.2170 0.005 . 1 . . . A 311 THR HG21 . 17575 1 1108 . 1 1 116 116 THR HG23 H 1 1.2170 0.005 . 1 . . . A 311 THR HG21 . 17575 1 1109 . 1 1 116 116 THR CA C 13 57.0640 0.1 . 1 . . . A 311 THR CA . 17575 1 1110 . 1 1 116 116 THR CB C 13 69.8000 0.1 . 1 . . . A 311 THR CB . 17575 1 1111 . 1 1 116 116 THR CG2 C 13 21.6000 0.1 . 1 . . . A 311 THR CG2 . 17575 1 1112 . 1 1 116 116 THR N N 15 105.4110 0.1 . 1 . . . A 311 THR N . 17575 1 1113 . 1 1 117 117 PRO HA H 1 4.1420 0.005 . 1 . . . A 312 PRO HA . 17575 1 1114 . 1 1 117 117 PRO HB2 H 1 2.4070 0.005 . 2 . . . . 312 PRO HB2 . 17575 1 1115 . 1 1 117 117 PRO HB3 H 1 1.9900 0.005 . 2 . . . A 312 PRO HB2 . 17575 1 1116 . 1 1 117 117 PRO HD2 H 1 4.0200 0.005 . 2 . . . . 312 PRO HD2 . 17575 1 1117 . 1 1 117 117 PRO HD3 H 1 3.8700 0.005 . 2 . . . A 312 PRO HD2 . 17575 1 1118 . 1 1 117 117 PRO CA C 13 65.2300 0.1 . 1 . . . A 312 PRO CA . 17575 1 1119 . 1 1 117 117 PRO CB C 13 31.3200 0.1 . 1 . . . A 312 PRO CB . 17575 1 1120 . 1 1 117 117 PRO CD C 13 50.3400 0.1 . 1 . . . A 312 PRO CD . 17575 1 1121 . 1 1 118 118 GLU H H 1 9.0890 0.005 . 1 . . . . 313 GLU H . 17575 1 1122 . 1 1 118 118 GLU HA H 1 4.0660 0.005 . 1 . . . A 313 GLU HA . 17575 1 1123 . 1 1 118 118 GLU HB2 H 1 2.0280 0.005 . 2 . . . . 313 GLU HB2 . 17575 1 1124 . 1 1 118 118 GLU HB3 H 1 1.9160 0.005 . 2 . . . A 313 GLU HB2 . 17575 1 1125 . 1 1 118 118 GLU HG2 H 1 2.4160 0.005 . 2 . . . . 313 GLU HG2 . 17575 1 1126 . 1 1 118 118 GLU HG3 H 1 2.2600 0.005 . 2 . . . A 313 GLU HG2 . 17575 1 1127 . 1 1 118 118 GLU CA C 13 59.7200 0.1 . 1 . . . A 313 GLU CA . 17575 1 1128 . 1 1 118 118 GLU CB C 13 28.4300 0.1 . 1 . . . A 313 GLU CB . 17575 1 1129 . 1 1 118 118 GLU CG C 13 36.5100 0.1 . 1 . . . A 313 GLU CG . 17575 1 1130 . 1 1 118 118 GLU N N 15 118.3770 0.1 . 1 . . . A 313 GLU N . 17575 1 1131 . 1 1 119 119 GLY H H 1 8.1670 0.005 . 1 . . . . 314 GLY H . 17575 1 1132 . 1 1 119 119 GLY HA2 H 1 3.5550 0.005 . 2 . . . A 314 GLY HA2 . 17575 1 1133 . 1 1 119 119 GLY HA3 H 1 4.3980 0.005 . 2 . . . A 314 GLY HA3 . 17575 1 1134 . 1 1 119 119 GLY CA C 13 46.8180 0.1 . 1 . . . A 314 GLY CA . 17575 1 1135 . 1 1 119 119 GLY N N 15 111.9050 0.1 . 1 . . . A 314 GLY N . 17575 1 1136 . 1 1 120 120 ARG H H 1 8.0720 0.005 . 1 . . . . 315 ARG H . 17575 1 1137 . 1 1 120 120 ARG HA H 1 4.0480 0.005 . 1 . . . A 315 ARG HA . 17575 1 1138 . 1 1 120 120 ARG CA C 13 60.6010 0.1 . 1 . . . A 315 ARG CA . 17575 1 1139 . 1 1 120 120 ARG CB C 13 30.6000 0.1 . 1 . . . A 315 ARG CB . 17575 1 1140 . 1 1 120 120 ARG N N 15 119.0120 0.1 . 1 . . . A 315 ARG N . 17575 1 1141 . 1 1 121 121 ALA H H 1 7.6150 0.005 . 1 . . . . 316 ALA H . 17575 1 1142 . 1 1 121 121 ALA HA H 1 3.9500 0.005 . 1 . . . A 316 ALA HA . 17575 1 1143 . 1 1 121 121 ALA HB1 H 1 1.4920 0.005 . 1 . . . A 316 ALA HB1 . 17575 1 1144 . 1 1 121 121 ALA HB2 H 1 1.4920 0.005 . 1 . . . A 316 ALA HB1 . 17575 1 1145 . 1 1 121 121 ALA HB3 H 1 1.4920 0.005 . 1 . . . A 316 ALA HB1 . 17575 1 1146 . 1 1 121 121 ALA CA C 13 54.5640 0.1 . 1 . . . A 316 ALA CA . 17575 1 1147 . 1 1 121 121 ALA CB C 13 17.8950 0.1 . 1 . . . A 316 ALA CB . 17575 1 1148 . 1 1 121 121 ALA N N 15 116.5270 0.1 . 1 . . . A 316 ALA N . 17575 1 1149 . 1 1 122 122 LYS H H 1 7.3320 0.005 . 1 . . . . 317 LYS H . 17575 1 1150 . 1 1 122 122 LYS HA H 1 4.0380 0.005 . 1 . . . A 317 LYS HA . 17575 1 1151 . 1 1 122 122 LYS HB2 H 1 1.8340 0.005 . 2 . . . . 317 LYS HB2 . 17575 1 1152 . 1 1 122 122 LYS HB3 H 1 1.6130 0.005 . 2 . . . A 317 LYS HB2 . 17575 1 1153 . 1 1 122 122 LYS HG2 H 1 1.5790 0.005 . 1 . . . . 317 LYS HG2 . 17575 1 1154 . 1 1 122 122 LYS HG3 H 1 1.3900 0.005 . 1 . . . A 317 LYS HG2 . 17575 1 1155 . 1 1 122 122 LYS HE2 H 1 2.8760 0.005 . 1 . . . . 317 LYS HD2 . 17575 1 1156 . 1 1 122 122 LYS HE3 H 1 2.8760 0.005 . 1 . . . A 317 LYS HD2 . 17575 1 1157 . 1 1 122 122 LYS CA C 13 57.6210 0.1 . 1 . . . A 317 LYS CA . 17575 1 1158 . 1 1 122 122 LYS CB C 13 32.5100 0.1 . 1 . . . A 317 LYS CB . 17575 1 1159 . 1 1 122 122 LYS CG C 13 25.5000 0.1 . 1 . . . A 317 LYS CG . 17575 1 1160 . 1 1 122 122 LYS CE C 13 42.1400 0.1 . 1 . . . A 317 LYS CD . 17575 1 1161 . 1 1 122 122 LYS N N 15 117.2550 0.1 . 1 . . . A 317 LYS N . 17575 1 1162 . 1 1 123 123 ASN H H 1 7.4050 0.005 . 1 . . . . 318 ASN H . 17575 1 1163 . 1 1 123 123 ASN HA H 1 4.5660 0.005 . 1 . . . A 318 ASN HA . 17575 1 1164 . 1 1 123 123 ASN HB2 H 1 2.5580 0.005 . 2 . . . . 318 ASN HB2 . 17575 1 1165 . 1 1 123 123 ASN HB3 H 1 2.4830 0.005 . 2 . . . A 318 ASN HB2 . 17575 1 1166 . 1 1 123 123 ASN HD21 H 1 6.8930 0.005 . 2 . . . A 318 ASN HD21 . 17575 1 1167 . 1 1 123 123 ASN HD22 H 1 7.0170 0.005 . 2 . . . A 318 ASN HD22 . 17575 1 1168 . 1 1 123 123 ASN CA C 13 54.6400 0.1 . 1 . . . A 318 ASN CA . 17575 1 1169 . 1 1 123 123 ASN CB C 13 37.8090 0.1 . 1 . . . A 318 ASN CB . 17575 1 1170 . 1 1 123 123 ASN N N 15 114.1580 0.1 . 1 . . . A 318 ASN N . 17575 1 1171 . 1 1 123 123 ASN ND2 N 15 111.8440 0.1 . 1 . . . A 318 ASN ND2 . 17575 1 1172 . 1 1 124 124 ARG H H 1 6.8490 0.005 . 1 . . . . 319 ARG H . 17575 1 1173 . 1 1 124 124 ARG HA H 1 4.2100 0.005 . 1 . . . A 319 ARG HA . 17575 1 1174 . 1 1 124 124 ARG HB2 H 1 1.2160 0.005 . 1 . . . . 319 ARG HB2 . 17575 1 1175 . 1 1 124 124 ARG HB3 H 1 1.2160 0.005 . 1 . . . A 319 ARG HB2 . 17575 1 1176 . 1 1 124 124 ARG HD2 H 1 3.3700 0.005 . 1 . . . . 319 ARG HD2 . 17575 1 1177 . 1 1 124 124 ARG HD3 H 1 3.0620 0.005 . 1 . . . A 319 ARG HD2 . 17575 1 1178 . 1 1 124 124 ARG CA C 13 56.0000 0.1 . 1 . . . A 319 ARG CA . 17575 1 1179 . 1 1 124 124 ARG CB C 13 29.1680 0.1 . 1 . . . A 319 ARG CB . 17575 1 1180 . 1 1 124 124 ARG CD C 13 44.8390 0.1 . 1 . . . A 319 ARG CD . 17575 1 1181 . 1 1 124 124 ARG N N 15 118.1460 0.1 . 1 . . . A 319 ARG N . 17575 1 1182 . 1 1 125 125 ARG H H 1 7.4440 0.005 . 1 . . . . 320 ARG H . 17575 1 1183 . 1 1 125 125 ARG HA H 1 5.5190 0.005 . 1 . . . A 320 ARG HA . 17575 1 1184 . 1 1 125 125 ARG HB2 H 1 1.9900 0.005 . 1 . . . . 320 ARG HB2 . 17575 1 1185 . 1 1 125 125 ARG HB3 H 1 1.7000 0.005 . 1 . . . A 320 ARG HB2 . 17575 1 1186 . 1 1 125 125 ARG HG2 H 1 1.7750 0.005 . 1 . . . . 320 ARG HG2 . 17575 1 1187 . 1 1 125 125 ARG HG3 H 1 1.1270 0.005 . 1 . . . A 320 ARG HG2 . 17575 1 1188 . 1 1 125 125 ARG HD2 H 1 3.5730 0.005 . 1 . . . . 320 ARG HD2 . 17575 1 1189 . 1 1 125 125 ARG HD3 H 1 2.7490 0.005 . 1 . . . A 320 ARG HD2 . 17575 1 1190 . 1 1 125 125 ARG CA C 13 54.5600 0.1 . 1 . . . A 320 ARG CA . 17575 1 1191 . 1 1 125 125 ARG CB C 13 32.0000 0.1 . 1 . . . A 320 ARG CB . 17575 1 1192 . 1 1 125 125 ARG CG C 13 28.3200 0.1 . 1 . . . A 320 ARG CG . 17575 1 1193 . 1 1 125 125 ARG CD C 13 44.9600 0.1 . 1 . . . A 320 ARG CD . 17575 1 1194 . 1 1 125 125 ARG N N 15 121.5120 0.1 . 1 . . . A 320 ARG N . 17575 1 1195 . 1 1 126 126 VAL H H 1 8.6290 0.005 . 1 . . . . 321 VAL H . 17575 1 1196 . 1 1 126 126 VAL HA H 1 5.6370 0.005 . 1 . . . A 321 VAL HA . 17575 1 1197 . 1 1 126 126 VAL HB H 1 1.9250 0.005 . 1 . . . A 321 VAL HB . 17575 1 1198 . 1 1 126 126 VAL HG11 H 1 0.9600 0.005 . 2 . . . A 321 VAL HG11 . 17575 1 1199 . 1 1 126 126 VAL HG12 H 1 0.9600 0.005 . 2 . . . A 321 VAL HG11 . 17575 1 1200 . 1 1 126 126 VAL HG13 H 1 0.9600 0.005 . 2 . . . A 321 VAL HG11 . 17575 1 1201 . 1 1 126 126 VAL HG21 H 1 1.0260 0.005 . 2 . . . A 321 VAL HG21 . 17575 1 1202 . 1 1 126 126 VAL HG22 H 1 1.0260 0.005 . 2 . . . A 321 VAL HG21 . 17575 1 1203 . 1 1 126 126 VAL HG23 H 1 1.0260 0.005 . 2 . . . A 321 VAL HG21 . 17575 1 1204 . 1 1 126 126 VAL CA C 13 59.4000 0.1 . 1 . . . A 321 VAL CA . 17575 1 1205 . 1 1 126 126 VAL CB C 13 36.5400 0.1 . 1 . . . A 321 VAL CB . 17575 1 1206 . 1 1 126 126 VAL CG1 C 13 22.9890 0.1 . 1 . . . A 321 VAL CG1 . 17575 1 1207 . 1 1 126 126 VAL CG2 C 13 23.1520 0.1 . 1 . . . A 321 VAL CG2 . 17575 1 1208 . 1 1 126 126 VAL N N 15 116.3210 0.1 . 1 . . . A 321 VAL N . 17575 1 1209 . 1 1 127 127 GLU H H 1 9.4650 0.005 . 1 . . . . 322 GLU H . 17575 1 1210 . 1 1 127 127 GLU HA H 1 5.0400 0.005 . 1 . . . A 322 GLU HA . 17575 1 1211 . 1 1 127 127 GLU HB2 H 1 2.1600 0.005 . 2 . . . . 322 GLU HB2 . 17575 1 1212 . 1 1 127 127 GLU HB3 H 1 2.0400 0.005 . 2 . . . A 322 GLU HB2 . 17575 1 1213 . 1 1 127 127 GLU HG2 H 1 2.3000 0.005 . 2 . . . . 322 GLU HG2 . 17575 1 1214 . 1 1 127 127 GLU HG3 H 1 2.3000 0.005 . 2 . . . A 322 GLU HG2 . 17575 1 1215 . 1 1 127 127 GLU CA C 13 54.6000 0.1 . 1 . . . A 322 GLU CA . 17575 1 1216 . 1 1 127 127 GLU CB C 13 33.1740 0.1 . 1 . . . A 322 GLU CB . 17575 1 1217 . 1 1 127 127 GLU CG C 13 37.4860 0.1 . 1 . . . A 322 GLU CG . 17575 1 1218 . 1 1 127 127 GLU N N 15 123.6210 0.1 . 1 . . . A 322 GLU N . 17575 1 1219 . 1 1 128 128 ILE H H 1 8.5040 0.005 . 1 . . . . 323 ILE H . 17575 1 1220 . 1 1 128 128 ILE HA H 1 4.4660 0.005 . 1 . . . A 323 ILE HA . 17575 1 1221 . 1 1 128 128 ILE HB H 1 1.7640 0.005 . 1 . . . A 323 ILE HB . 17575 1 1222 . 1 1 128 128 ILE HG12 H 1 1.6600 0.005 . 1 . . . . 323 ILE HG12 . 17575 1 1223 . 1 1 128 128 ILE HG13 H 1 1.6600 0.005 . 1 . . . A 323 ILE HG12 . 17575 1 1224 . 1 1 128 128 ILE HG21 H 1 0.6750 0.005 . 1 . . . A 323 ILE HG21 . 17575 1 1225 . 1 1 128 128 ILE HG22 H 1 0.6750 0.005 . 1 . . . A 323 ILE HG21 . 17575 1 1226 . 1 1 128 128 ILE HG23 H 1 0.6750 0.005 . 1 . . . A 323 ILE HG21 . 17575 1 1227 . 1 1 128 128 ILE HD11 H 1 0.7750 0.005 . 1 . . . A 323 ILE HD11 . 17575 1 1228 . 1 1 128 128 ILE HD12 H 1 0.7750 0.005 . 1 . . . A 323 ILE HD11 . 17575 1 1229 . 1 1 128 128 ILE HD13 H 1 0.7750 0.005 . 1 . . . A 323 ILE HD11 . 17575 1 1230 . 1 1 128 128 ILE CA C 13 61.3900 0.1 . 1 . . . A 323 ILE CA . 17575 1 1231 . 1 1 128 128 ILE CB C 13 38.9700 0.1 . 1 . . . A 323 ILE CB . 17575 1 1232 . 1 1 128 128 ILE CG2 C 13 16.8300 0.1 . 1 . . . A 323 ILE CG2 . 17575 1 1233 . 1 1 128 128 ILE CD1 C 13 13.9000 0.1 . 1 . . . A 323 ILE CD1 . 17575 1 1234 . 1 1 128 128 ILE N N 15 121.6790 0.1 . 1 . . . A 323 ILE N . 17575 1 1235 . 1 1 129 129 VAL H H 1 9.2340 0.005 . 1 . . . . 324 VAL H . 17575 1 1236 . 1 1 129 129 VAL HA H 1 4.7190 0.005 . 1 . . . A 324 VAL HA . 17575 1 1237 . 1 1 129 129 VAL HB H 1 2.0120 0.005 . 1 . . . A 324 VAL HB . 17575 1 1238 . 1 1 129 129 VAL HG11 H 1 0.8850 0.005 . 1 . . . A 324 VAL HG11 . 17575 1 1239 . 1 1 129 129 VAL HG12 H 1 0.8850 0.005 . 1 . . . A 324 VAL HG11 . 17575 1 1240 . 1 1 129 129 VAL HG13 H 1 0.8850 0.005 . 1 . . . A 324 VAL HG11 . 17575 1 1241 . 1 1 129 129 VAL HG21 H 1 0.8850 0.005 . 1 . . . A 324 VAL HG21 . 17575 1 1242 . 1 1 129 129 VAL HG22 H 1 0.8850 0.005 . 1 . . . A 324 VAL HG21 . 17575 1 1243 . 1 1 129 129 VAL HG23 H 1 0.8850 0.005 . 1 . . . A 324 VAL HG21 . 17575 1 1244 . 1 1 129 129 VAL CA C 13 61.2400 0.1 . 1 . . . A 324 VAL CA . 17575 1 1245 . 1 1 129 129 VAL CB C 13 34.7000 0.1 . 1 . . . A 324 VAL CB . 17575 1 1246 . 1 1 129 129 VAL CG1 C 13 21.0570 0.1 . 1 . . . A 324 VAL CG1 . 17575 1 1247 . 1 1 129 129 VAL CG2 C 13 21.0570 0.1 . 1 . . . A 324 VAL CG2 . 17575 1 1248 . 1 1 129 129 VAL N N 15 130.1990 0.1 . 1 . . . A 324 VAL N . 17575 1 1249 . 1 1 130 130 VAL H H 1 9.1210 0.005 . 1 . . . . 325 VAL H . 17575 1 1250 . 1 1 130 130 VAL HA H 1 4.3030 0.005 . 1 . . . A 325 VAL HA . 17575 1 1251 . 1 1 130 130 VAL HB H 1 1.8900 0.005 . 1 . . . A 325 VAL HB . 17575 1 1252 . 1 1 130 130 VAL HG11 H 1 0.9350 0.005 . 1 . . . A 325 VAL HG11 . 17575 1 1253 . 1 1 130 130 VAL HG12 H 1 0.9350 0.005 . 1 . . . A 325 VAL HG11 . 17575 1 1254 . 1 1 130 130 VAL HG13 H 1 0.9350 0.005 . 1 . . . A 325 VAL HG11 . 17575 1 1255 . 1 1 130 130 VAL HG21 H 1 0.7510 0.005 . 1 . . . A 325 VAL HG21 . 17575 1 1256 . 1 1 130 130 VAL HG22 H 1 0.7510 0.005 . 1 . . . A 325 VAL HG21 . 17575 1 1257 . 1 1 130 130 VAL HG23 H 1 0.7510 0.005 . 1 . . . A 325 VAL HG21 . 17575 1 1258 . 1 1 130 130 VAL CA C 13 61.9260 0.1 . 1 . . . A 325 VAL CA . 17575 1 1259 . 1 1 130 130 VAL CB C 13 32.6500 0.1 . 1 . . . A 325 VAL CB . 17575 1 1260 . 1 1 130 130 VAL CG1 C 13 21.5520 0.1 . 1 . . . A 325 VAL CG1 . 17575 1 1261 . 1 1 130 130 VAL CG2 C 13 21.5180 0.1 . 1 . . . A 325 VAL CG2 . 17575 1 1262 . 1 1 130 130 VAL N N 15 126.6890 0.1 . 1 . . . A 325 VAL N . 17575 1 1263 . 1 1 131 131 ASN H H 1 8.8150 0.005 . 1 . . . . 326 ASN H . 17575 1 1264 . 1 1 131 131 ASN HA H 1 5.1400 0.005 . 1 . . . A 326 ASN HA . 17575 1 1265 . 1 1 131 131 ASN HB2 H 1 2.6830 0.005 . 2 . . . . 326 ASN HB2 . 17575 1 1266 . 1 1 131 131 ASN HB3 H 1 2.5220 0.005 . 2 . . . A 326 ASN HB2 . 17575 1 1267 . 1 1 131 131 ASN HD21 H 1 6.7400 0.005 . 2 . . . A 326 ASN HD21 . 17575 1 1268 . 1 1 131 131 ASN HD22 H 1 7.3190 0.005 . 2 . . . A 326 ASN HD22 . 17575 1 1269 . 1 1 131 131 ASN CA C 13 52.9510 0.1 . 1 . . . A 326 ASN CA . 17575 1 1270 . 1 1 131 131 ASN CB C 13 39.3510 0.1 . 1 . . . A 326 ASN CB . 17575 1 1271 . 1 1 131 131 ASN N N 15 126.3100 0.1 . 1 . . . A 326 ASN N . 17575 1 1272 . 1 1 131 131 ASN ND2 N 15 110.8210 0.1 . 1 . . . A 326 ASN ND2 . 17575 1 1273 . 1 1 137 137 HIS H H 1 7.9640 0.005 . 1 . . . . 332 HIS H . 17575 1 1274 . 1 1 137 137 HIS N N 15 125.6580 0.1 . 1 . . . . 332 HIS N . 17575 1 stop_ save_