data_17838 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17838 _Entry.Title ; Solution structure of C2B with IP6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-08 _Entry.Accession_date 2011-08-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'C2B-IP6 COMPLEX' _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 Meng-je Joung . . . 17838 2 Sepuru Mohan . K. . 17838 3 Chin Yu . . . 17838 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' . 17838 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Beta-sheet protein' . 17838 'Calcium binding protein' . 17838 'Protein-Drug complex' . 17838 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17838 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 598 17838 '15N chemical shifts' 142 17838 '1H chemical shifts' 1101 17838 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 . . 2012-08-20 2011-08-08 update BMRB 'update entry citation' 17838 1 . . 2012-04-30 2011-08-08 original author 'original release' 17838 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LHA 'BMRB Entry Tracking System' 17838 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17838 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22475172 _Citation.Full_citation . _Citation.Title 'Molecular level interaction of inositol hexaphosphate with the C2B domain of human synaptotagmin I.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 51 _Citation.Journal_issue 17 _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 3675 _Citation.Page_last 3683 _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 Meng-Je Joung . . . 17838 1 2 Sepuru Mohan . K. . 17838 1 3 Chin Yu . . . 17838 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17838 _Assembly.ID 1 _Assembly.Name 'Molecular Level Interaction of the Human Synaptotagmin I C2B domain with Inositol Hexaphosphate' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'C2B domain' 1 $entity_1 A . yes native no no . . . 17838 1 2 IHP 2 $IHP B . no native no no . . . 17838 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 17838 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; QEKLGDICFSLRYVPTAGKL TVVILEAKNLKKMDVGGLSD PYVKIHLMQNGKRLKKKKTT IKKNTLNPYYNESFSFEVPF EQIQKVQVVVTVLDYDKIGK NDAIGKVFVGYNSTGAELRH WSDMLANPRRPIAQWHTLQV EEEVDAMLAVKK ; _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 152 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state present _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17224.221 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1K5W . "Three-Dimensional Structure Of The Synaptotagmin 1 C2b- Domain: Synaptotagmin 1 As A Phospholipid Binding Machine" . . . . . 100.00 152 100.00 100.00 4.51e-107 . . . . 17838 1 2 no PDB 1TJM . "Crystallographic Identification Of Sr2+ Coordination Site In Synaptotagmin I C2b Domain" . . . . . 99.34 159 100.00 100.00 5.03e-106 . . . . 17838 1 3 no PDB 1TJX . "Crystallographic Identification Of Ca2+ Coordination Sites In Synaptotagmin I C2b Domain" . . . . . 99.34 159 100.00 100.00 5.03e-106 . . . . 17838 1 4 no PDB 1UOV . "Calcium Binding Domain C2b" . . . . . 99.34 159 100.00 100.00 5.03e-106 . . . . 17838 1 5 no PDB 1UOW . "Calcium Binding Domain C2b" . . . . . 99.34 159 100.00 100.00 5.03e-106 . . . . 17838 1 6 no PDB 2LHA . "Solution Structure Of C2b With Ip6" . . . . . 99.34 151 100.00 100.00 3.47e-106 . . . . 17838 1 7 no PDB 2N1T . "Dynamic Binding Mode Of A Synaptotagmin-1-snare Complex In Solution" . . . . . 97.37 156 100.00 100.00 3.75e-104 . . . . 17838 1 8 no PDB 2YOA . "Synaptotagmin-1 C2b Domain With Phosphoserine" . . . . . 99.34 152 100.00 100.00 3.26e-106 . . . . 17838 1 9 no PDB 4V11 . "Structure Of Synaptotagmin-1 With Sv2a Peptide Phosphorylated At Thr84" . . . . . 98.68 150 100.00 100.00 2.25e-105 . . . . 17838 1 10 no GB ABA86948 . "synaptotagmin I [Felis catus]" . . . . . 75.66 169 100.00 100.00 3.61e-75 . . . . 17838 1 11 no GB ELW70523 . "Synaptotagmin-1 [Tupaia chinensis]" . . . . . 100.00 178 100.00 100.00 8.96e-107 . . . . 17838 1 12 no GB EPY85161 . "synaptotagmin-1-like protein [Camelus ferus]" . . . . . 74.34 114 100.00 100.00 8.79e-77 . . . . 17838 1 13 no GB ETE67808 . "Synaptotagmin-1 [Ophiophagus hannah]" . . . . . 69.08 105 99.05 99.05 5.23e-69 . . . . 17838 1 14 no GB KFO26676 . "Synaptotagmin-1 [Fukomys damarensis]" . . . . . 74.34 131 100.00 100.00 1.10e-76 . . . . 17838 1 15 no REF XP_005955385 . "PREDICTED: synaptotagmin-1 [Pantholops hodgsonii]" . . . . . 100.00 207 100.00 100.00 6.01e-107 . . . . 17838 1 16 no REF XP_007441326 . "PREDICTED: synaptotagmin-1-like, partial [Python bivittatus]" . . . . . 73.68 112 99.11 99.11 7.87e-75 . . . . 17838 1 17 no REF XP_008933885 . "PREDICTED: synaptotagmin-1, partial [Merops nubicus]" . . . . . 100.00 152 99.34 99.34 5.27e-106 . . . . 17838 1 18 no REF XP_009505833 . "PREDICTED: synaptotagmin-1 [Phalacrocorax carbo]" . . . . . 100.00 174 98.68 99.34 4.90e-106 . . . . 17838 1 19 no REF XP_009699931 . "PREDICTED: synaptotagmin-1-like, partial [Cariama cristata]" . . . . . 73.68 112 98.21 99.11 1.26e-74 . . . . 17838 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 1 270 GLN . 17838 1 2 271 GLU . 17838 1 3 272 LYS . 17838 1 4 273 LEU . 17838 1 5 274 GLY . 17838 1 6 275 ASP . 17838 1 7 276 ILE . 17838 1 8 277 CYS . 17838 1 9 278 PHE . 17838 1 10 279 SER . 17838 1 11 280 LEU . 17838 1 12 281 ARG . 17838 1 13 282 TYR . 17838 1 14 283 VAL . 17838 1 15 284 PRO . 17838 1 16 285 THR . 17838 1 17 286 ALA . 17838 1 18 287 GLY . 17838 1 19 288 LYS . 17838 1 20 289 LEU . 17838 1 21 290 THR . 17838 1 22 291 VAL . 17838 1 23 292 VAL . 17838 1 24 293 ILE . 17838 1 25 294 LEU . 17838 1 26 295 GLU . 17838 1 27 296 ALA . 17838 1 28 297 LYS . 17838 1 29 298 ASN . 17838 1 30 299 LEU . 17838 1 31 300 LYS . 17838 1 32 301 LYS . 17838 1 33 302 MET . 17838 1 34 303 ASP . 17838 1 35 304 VAL . 17838 1 36 305 GLY . 17838 1 37 306 GLY . 17838 1 38 307 LEU . 17838 1 39 308 SER . 17838 1 40 309 ASP . 17838 1 41 310 PRO . 17838 1 42 311 TYR . 17838 1 43 312 VAL . 17838 1 44 313 LYS . 17838 1 45 314 ILE . 17838 1 46 315 HIS . 17838 1 47 316 LEU . 17838 1 48 317 MET . 17838 1 49 318 GLN . 17838 1 50 319 ASN . 17838 1 51 320 GLY . 17838 1 52 321 LYS . 17838 1 53 322 ARG . 17838 1 54 323 LEU . 17838 1 55 324 LYS . 17838 1 56 325 LYS . 17838 1 57 326 LYS . 17838 1 58 327 LYS . 17838 1 59 328 THR . 17838 1 60 329 THR . 17838 1 61 330 ILE . 17838 1 62 331 LYS . 17838 1 63 332 LYS . 17838 1 64 333 ASN . 17838 1 65 334 THR . 17838 1 66 335 LEU . 17838 1 67 336 ASN . 17838 1 68 337 PRO . 17838 1 69 338 TYR . 17838 1 70 339 TYR . 17838 1 71 340 ASN . 17838 1 72 341 GLU . 17838 1 73 342 SER . 17838 1 74 343 PHE . 17838 1 75 344 SER . 17838 1 76 345 PHE . 17838 1 77 346 GLU . 17838 1 78 347 VAL . 17838 1 79 348 PRO . 17838 1 80 349 PHE . 17838 1 81 350 GLU . 17838 1 82 351 GLN . 17838 1 83 352 ILE . 17838 1 84 353 GLN . 17838 1 85 354 LYS . 17838 1 86 355 VAL . 17838 1 87 356 GLN . 17838 1 88 357 VAL . 17838 1 89 358 VAL . 17838 1 90 359 VAL . 17838 1 91 360 THR . 17838 1 92 361 VAL . 17838 1 93 362 LEU . 17838 1 94 363 ASP . 17838 1 95 364 TYR . 17838 1 96 365 ASP . 17838 1 97 366 LYS . 17838 1 98 367 ILE . 17838 1 99 368 GLY . 17838 1 100 369 LYS . 17838 1 101 370 ASN . 17838 1 102 371 ASP . 17838 1 103 372 ALA . 17838 1 104 373 ILE . 17838 1 105 374 GLY . 17838 1 106 375 LYS . 17838 1 107 376 VAL . 17838 1 108 377 PHE . 17838 1 109 378 VAL . 17838 1 110 379 GLY . 17838 1 111 380 TYR . 17838 1 112 381 ASN . 17838 1 113 382 SER . 17838 1 114 383 THR . 17838 1 115 384 GLY . 17838 1 116 385 ALA . 17838 1 117 386 GLU . 17838 1 118 387 LEU . 17838 1 119 388 ARG . 17838 1 120 389 HIS . 17838 1 121 390 TRP . 17838 1 122 391 SER . 17838 1 123 392 ASP . 17838 1 124 393 MET . 17838 1 125 394 LEU . 17838 1 126 395 ALA . 17838 1 127 396 ASN . 17838 1 128 397 PRO . 17838 1 129 398 ARG . 17838 1 130 399 ARG . 17838 1 131 400 PRO . 17838 1 132 401 ILE . 17838 1 133 402 ALA . 17838 1 134 403 GLN . 17838 1 135 404 TRP . 17838 1 136 405 HIS . 17838 1 137 406 THR . 17838 1 138 407 LEU . 17838 1 139 408 GLN . 17838 1 140 409 VAL . 17838 1 141 410 GLU . 17838 1 142 411 GLU . 17838 1 143 412 GLU . 17838 1 144 413 VAL . 17838 1 145 414 ASP . 17838 1 146 415 ALA . 17838 1 147 416 MET . 17838 1 148 417 LEU . 17838 1 149 418 ALA . 17838 1 150 419 VAL . 17838 1 151 420 LYS . 17838 1 152 421 LYS . 17838 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLN 1 1 17838 1 . GLU 2 2 17838 1 . LYS 3 3 17838 1 . LEU 4 4 17838 1 . GLY 5 5 17838 1 . ASP 6 6 17838 1 . ILE 7 7 17838 1 . CYS 8 8 17838 1 . PHE 9 9 17838 1 . SER 10 10 17838 1 . LEU 11 11 17838 1 . ARG 12 12 17838 1 . TYR 13 13 17838 1 . VAL 14 14 17838 1 . PRO 15 15 17838 1 . THR 16 16 17838 1 . ALA 17 17 17838 1 . GLY 18 18 17838 1 . LYS 19 19 17838 1 . LEU 20 20 17838 1 . THR 21 21 17838 1 . VAL 22 22 17838 1 . VAL 23 23 17838 1 . ILE 24 24 17838 1 . LEU 25 25 17838 1 . GLU 26 26 17838 1 . ALA 27 27 17838 1 . LYS 28 28 17838 1 . ASN 29 29 17838 1 . LEU 30 30 17838 1 . LYS 31 31 17838 1 . LYS 32 32 17838 1 . MET 33 33 17838 1 . ASP 34 34 17838 1 . VAL 35 35 17838 1 . GLY 36 36 17838 1 . GLY 37 37 17838 1 . LEU 38 38 17838 1 . SER 39 39 17838 1 . ASP 40 40 17838 1 . PRO 41 41 17838 1 . TYR 42 42 17838 1 . VAL 43 43 17838 1 . LYS 44 44 17838 1 . ILE 45 45 17838 1 . HIS 46 46 17838 1 . LEU 47 47 17838 1 . MET 48 48 17838 1 . GLN 49 49 17838 1 . ASN 50 50 17838 1 . GLY 51 51 17838 1 . LYS 52 52 17838 1 . ARG 53 53 17838 1 . LEU 54 54 17838 1 . LYS 55 55 17838 1 . LYS 56 56 17838 1 . LYS 57 57 17838 1 . LYS 58 58 17838 1 . THR 59 59 17838 1 . THR 60 60 17838 1 . ILE 61 61 17838 1 . LYS 62 62 17838 1 . LYS 63 63 17838 1 . ASN 64 64 17838 1 . THR 65 65 17838 1 . LEU 66 66 17838 1 . ASN 67 67 17838 1 . PRO 68 68 17838 1 . TYR 69 69 17838 1 . TYR 70 70 17838 1 . ASN 71 71 17838 1 . GLU 72 72 17838 1 . SER 73 73 17838 1 . PHE 74 74 17838 1 . SER 75 75 17838 1 . PHE 76 76 17838 1 . GLU 77 77 17838 1 . VAL 78 78 17838 1 . PRO 79 79 17838 1 . PHE 80 80 17838 1 . GLU 81 81 17838 1 . GLN 82 82 17838 1 . ILE 83 83 17838 1 . GLN 84 84 17838 1 . LYS 85 85 17838 1 . VAL 86 86 17838 1 . GLN 87 87 17838 1 . VAL 88 88 17838 1 . VAL 89 89 17838 1 . VAL 90 90 17838 1 . THR 91 91 17838 1 . VAL 92 92 17838 1 . LEU 93 93 17838 1 . ASP 94 94 17838 1 . TYR 95 95 17838 1 . ASP 96 96 17838 1 . LYS 97 97 17838 1 . ILE 98 98 17838 1 . GLY 99 99 17838 1 . LYS 100 100 17838 1 . ASN 101 101 17838 1 . ASP 102 102 17838 1 . ALA 103 103 17838 1 . ILE 104 104 17838 1 . GLY 105 105 17838 1 . LYS 106 106 17838 1 . VAL 107 107 17838 1 . PHE 108 108 17838 1 . VAL 109 109 17838 1 . GLY 110 110 17838 1 . TYR 111 111 17838 1 . ASN 112 112 17838 1 . SER 113 113 17838 1 . THR 114 114 17838 1 . GLY 115 115 17838 1 . ALA 116 116 17838 1 . GLU 117 117 17838 1 . LEU 118 118 17838 1 . ARG 119 119 17838 1 . HIS 120 120 17838 1 . TRP 121 121 17838 1 . SER 122 122 17838 1 . ASP 123 123 17838 1 . MET 124 124 17838 1 . LEU 125 125 17838 1 . ALA 126 126 17838 1 . ASN 127 127 17838 1 . PRO 128 128 17838 1 . ARG 129 129 17838 1 . ARG 130 130 17838 1 . PRO 131 131 17838 1 . ILE 132 132 17838 1 . ALA 133 133 17838 1 . GLN 134 134 17838 1 . TRP 135 135 17838 1 . HIS 136 136 17838 1 . THR 137 137 17838 1 . LEU 138 138 17838 1 . GLN 139 139 17838 1 . VAL 140 140 17838 1 . GLU 141 141 17838 1 . GLU 142 142 17838 1 . GLU 143 143 17838 1 . VAL 144 144 17838 1 . ASP 145 145 17838 1 . ALA 146 146 17838 1 . MET 147 147 17838 1 . LEU 148 148 17838 1 . ALA 149 149 17838 1 . VAL 150 150 17838 1 . LYS 151 151 17838 1 . LYS 152 152 17838 1 stop_ save_ save_IHP _Entity.Sf_category entity _Entity.Sf_framecode IHP _Entity.Entry_ID 17838 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name IHP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID IHP _Entity.Nonpolymer_comp_label $chem_comp_IHP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . IHP . 17838 2 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 17838 _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_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens BL21(DE3) . . . . . . . . . . . . . . . . . . . . 17838 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 17838 _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_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pGEX4T1 . . . . . . 17838 1 2 2 $IHP . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17838 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_IHP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_IHP _Chem_comp.Entry_ID 17838 _Chem_comp.ID IHP _Chem_comp.Provenance . _Chem_comp.Name 'INOSITOL HEXAKISPHOSPHATE' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code IHP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code IHP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'MYO-INOSITOL HEXAKISPHOSPHATE' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H18 O24 P6' _Chem_comp.Formula_weight 660.035 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1THB _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 25 15:45:02 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 17838 IHP C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17838 IHP IMQLKJBTEOYOSI-GPIVLXJGSA-N InChIKey InChI 1.03 17838 IHP InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6- InChI InChI 1.03 17838 IHP O=P(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)(O)O SMILES ACDLabs 10.04 17838 IHP O[P](O)(=O)O[C@@H]1[C@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O SMILES_CANONICAL CACTVS 3.341 17838 IHP O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O SMILES CACTVS 3.341 17838 IHP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexayl hexakis[dihydrogen (phosphate)]' 'SYSTEMATIC NAME' ACDLabs 10.04 17838 IHP '(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17838 IHP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . N 0 . . . . no no . . . . -14.044 . 4.394 . 20.314 . 1.028 -0.224 -1.011 1 . 17838 IHP C2 . C2 . . C . . N 0 . . . . no no . . . . -14.967 . 5.590 . 20.513 . 1.403 -0.728 0.383 2 . 17838 IHP C3 . C3 . . C . . N 0 . . . . no no . . . . -15.159 . 6.465 . 19.290 . 0.382 -0.218 1.402 3 . 17838 IHP C4 . C4 . . C . . N 0 . . . . no no . . . . -13.842 . 6.995 . 18.822 . -1.009 -0.734 1.030 4 . 17838 IHP C5 . C5 . . C . . N 0 . . . . no no . . . . -12.681 . 5.977 . 18.711 . -1.384 -0.229 -0.364 5 . 17838 IHP C6 . C6 . . C . . N 0 . . . . no no . . . . -12.633 . 4.936 . 19.871 . -0.363 -0.739 -1.382 6 . 17838 IHP O11 . O11 . . O . . N 0 . . . . no no . . . . -14.552 . 3.461 . 19.346 . 1.024 1.204 -1.015 7 . 17838 IHP P1 . P1 . . P . . N 0 . . . . no no . . . . -14.528 . 1.867 . 19.611 . 2.112 1.670 -2.107 8 . 17838 IHP O21 . O21 . . O . . N 0 . . . . no no . . . . -15.859 . 1.310 . 19.182 . 3.444 1.150 -1.728 9 . 17838 IHP O31 . O31 . . O . . N 0 . . . . no no . . . . -13.366 . 1.403 . 18.737 . 2.160 3.278 -2.165 10 . 17838 IHP O41 . O41 . . O . . N 0 . . . . no no . . . . -14.256 . 1.652 . 21.063 . 1.702 1.093 -3.553 11 . 17838 IHP O12 . O12 . . O . . N 0 . . . . no no . . . . -16.199 . 5.172 . 21.031 . 2.703 -0.247 0.729 12 . 17838 IHP P2 . P2 . . P . . N 0 . . . . no no . . . . -16.457 . 5.434 . 22.622 . 3.628 -1.541 0.979 13 . 17838 IHP O22 . O22 . . O . . N 0 . . . . no no . . . . -16.191 . 6.900 . 22.922 . 3.681 -2.355 -0.255 14 . 17838 IHP O32 . O32 . . O . . N 0 . . . . no no . . . . -15.522 . 4.531 . 23.419 . 5.115 -1.070 1.376 15 . 17838 IHP O42 . O42 . . O . . N 0 . . . . no no . . . . -17.893 . 5.055 . 22.770 . 3.006 -2.421 2.176 16 . 17838 IHP O13 . O13 . . O . . N 0 . . . . no no . . . . -15.826 . 5.748 . 18.216 . 0.378 1.210 1.397 17 . 17838 IHP P3 . P3 . . P . . N 0 . . . . no no . . . . -17.122 . 6.366 . 17.444 . 0.776 1.681 2.884 18 . 17838 IHP O23 . O23 . . O . . N 0 . . . . no no . . . . -18.158 . 6.703 . 18.483 . 2.119 1.160 3.224 19 . 17838 IHP O33 . O33 . . O . . N 0 . . . . no no . . . . -17.539 . 5.208 . 16.554 . 0.790 3.289 2.952 20 . 17838 IHP O43 . O43 . . O . . N 0 . . . . no no . . . . -16.674 . 7.572 . 16.657 . -0.301 1.109 3.935 21 . 17838 IHP O14 . O14 . . O . . N 0 . . . . no no . . . . -13.368 . 7.973 . 19.812 . -1.962 -0.258 1.982 22 . 17838 IHP P4 . P4 . . P . . N 0 . . . . no no . . . . -13.355 . 9.587 . 19.482 . -2.632 -1.556 2.660 23 . 17838 IHP O24 . O24 . . O . . N 0 . . . . no no . . . . -14.764 . 10.098 . 19.595 . -1.583 -2.361 3.325 24 . 17838 IHP O34 . O34 . . O . . N 0 . . . . no no . . . . -12.783 . 9.593 . 18.075 . -3.723 -1.090 3.748 25 . 17838 IHP O44 . O44 . . O . . N 0 . . . . no no . . . . -12.395 . 10.228 . 20.477 . -3.351 -2.443 1.525 26 . 17838 IHP O15 . O15 . . O . . N 0 . . . . no no . . . . -12.738 . 5.249 . 17.512 . -1.389 1.199 -0.368 27 . 17838 IHP P5 . P5 . . P . . N 0 . . . . no no . . . . -11.817 . 5.672 . 16.239 . -2.879 1.659 -0.767 28 . 17838 IHP O25 . O25 . . O . . N 0 . . . . no no . . . . -12.584 . 6.770 . 15.541 . -3.841 1.133 0.226 29 . 17838 IHP O35 . O35 . . O . . N 0 . . . . no no . . . . -11.793 . 4.346 . 15.510 . -2.956 3.266 -0.792 30 . 17838 IHP O45 . O45 . . O . . N 0 . . . . no no . . . . -10.467 . 6.168 . 16.640 . -3.246 1.082 -2.225 31 . 17838 IHP O16 . O16 . . O . . N 0 . . . . no no . . . . -12.074 . 5.628 . 20.996 . -0.714 -0.268 -2.685 32 . 17838 IHP P6 . P6 . . P . . N 0 . . . . no no . . . . -10.780 . 5.018 . 21.755 . -0.957 -1.569 -3.601 33 . 17838 IHP O26 . O26 . . O . . N 0 . . . . no no . . . . -9.764 . 4.630 . 20.734 . -2.051 -2.381 -3.024 34 . 17838 IHP O36 . O36 . . O . . N 0 . . . . no no . . . . -10.388 . 6.189 . 22.637 . -1.358 -1.109 -5.091 35 . 17838 IHP O46 . O46 . . O . . N 0 . . . . no no . . . . -11.255 . 3.819 . 22.588 . 0.391 -2.447 -3.655 36 . 17838 IHP H1 . H1 . . H . . N 0 . . . . no no . . . . -13.970 . 3.834 . 21.275 . 1.755 -0.587 -1.737 37 . 17838 IHP H2 . H2 . . H . . N 0 . . . . no no . . . . -14.447 . 6.246 . 21.249 . 1.407 -1.818 0.386 38 . 17838 IHP H3 . H3 . . H . . N 0 . . . . no no . . . . -15.813 . 7.318 . 19.582 . 0.650 -0.578 2.395 39 . 17838 IHP H4 . H4 . . H . . N 0 . . . . no no . . . . -14.056 . 7.383 . 17.798 . -1.005 -1.824 1.034 40 . 17838 IHP H5 . H5 . . H . . N 0 . . . . no no . . . . -11.766 . 6.613 . 18.757 . -2.376 -0.596 -0.628 41 . 17838 IHP H6 . H6 . . H . . N 0 . . . . no no . . . . -12.046 . 4.055 . 19.519 . -0.360 -1.829 -1.379 42 . 17838 IHP H31 . H31 . . H . . N 0 . . . . no no . . . . -13.351 . 0.466 . 18.892 . 2.822 3.514 -2.829 43 . 17838 IHP H41 . H41 . . H . . N 0 . . . . no no . . . . -14.241 . 0.715 . 21.218 . 0.830 1.455 -3.762 44 . 17838 IHP H32 . H32 . . H . . N 0 . . . . no no . . . . -15.672 . 4.683 . 24.344 . 5.635 -1.874 1.517 45 . 17838 IHP H42 . H42 . . H . . N 0 . . . . no no . . . . -18.043 . 5.207 . 23.695 . 2.989 -1.855 2.960 46 . 17838 IHP H33 . H33 . . H . . N 0 . . . . no no . . . . -18.294 . 5.568 . 16.104 . 1.033 3.529 3.857 47 . 17838 IHP H43 . H43 . . H . . N 0 . . . . no no . . . . -17.429 . 7.932 . 16.207 . -1.160 1.471 3.679 48 . 17838 IHP H34 . H34 . . H . . N 0 . . . . no no . . . . -12.775 . 10.523 . 17.884 . -4.098 -1.896 4.129 49 . 17838 IHP H44 . H44 . . H . . N 0 . . . . no no . . . . -12.387 . 11.158 . 20.286 . -4.025 -1.882 1.117 50 . 17838 IHP H35 . H35 . . H . . N 0 . . . . no no . . . . -11.255 . 4.593 . 14.766 . -3.863 3.499 -1.035 51 . 17838 IHP H45 . H45 . . H . . N 0 . . . . no no . . . . -9.929 . 6.415 . 15.896 . -2.597 1.447 -2.842 52 . 17838 IHP H36 . H36 . . H . . N 0 . . . . no no . . . . -9.628 . 5.831 . 23.082 . -1.494 -1.917 -5.606 53 . 17838 IHP H46 . H46 . . H . . N 0 . . . . no no . . . . -10.495 . 3.461 . 23.033 . 1.077 -1.882 -4.036 54 . 17838 IHP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 no N 1 . 17838 IHP 2 . SING C1 C6 no N 2 . 17838 IHP 3 . SING C1 O11 no N 3 . 17838 IHP 4 . SING C1 H1 no N 4 . 17838 IHP 5 . SING C2 C3 no N 5 . 17838 IHP 6 . SING C2 O12 no N 6 . 17838 IHP 7 . SING C2 H2 no N 7 . 17838 IHP 8 . SING C3 C4 no N 8 . 17838 IHP 9 . SING C3 O13 no N 9 . 17838 IHP 10 . SING C3 H3 no N 10 . 17838 IHP 11 . SING C4 C5 no N 11 . 17838 IHP 12 . SING C4 O14 no N 12 . 17838 IHP 13 . SING C4 H4 no N 13 . 17838 IHP 14 . SING C5 C6 no N 14 . 17838 IHP 15 . SING C5 O15 no N 15 . 17838 IHP 16 . SING C5 H5 no N 16 . 17838 IHP 17 . SING C6 O16 no N 17 . 17838 IHP 18 . SING C6 H6 no N 18 . 17838 IHP 19 . SING O11 P1 no N 19 . 17838 IHP 20 . DOUB P1 O21 no N 20 . 17838 IHP 21 . SING P1 O31 no N 21 . 17838 IHP 22 . SING P1 O41 no N 22 . 17838 IHP 23 . SING O31 H31 no N 23 . 17838 IHP 24 . SING O41 H41 no N 24 . 17838 IHP 25 . SING O12 P2 no N 25 . 17838 IHP 26 . DOUB P2 O22 no N 26 . 17838 IHP 27 . SING P2 O32 no N 27 . 17838 IHP 28 . SING P2 O42 no N 28 . 17838 IHP 29 . SING O32 H32 no N 29 . 17838 IHP 30 . SING O42 H42 no N 30 . 17838 IHP 31 . SING O13 P3 no N 31 . 17838 IHP 32 . DOUB P3 O23 no N 32 . 17838 IHP 33 . SING P3 O33 no N 33 . 17838 IHP 34 . SING P3 O43 no N 34 . 17838 IHP 35 . SING O33 H33 no N 35 . 17838 IHP 36 . SING O43 H43 no N 36 . 17838 IHP 37 . SING O14 P4 no N 37 . 17838 IHP 38 . DOUB P4 O24 no N 38 . 17838 IHP 39 . SING P4 O34 no N 39 . 17838 IHP 40 . SING P4 O44 no N 40 . 17838 IHP 41 . SING O34 H34 no N 41 . 17838 IHP 42 . SING O44 H44 no N 42 . 17838 IHP 43 . SING O15 P5 no N 43 . 17838 IHP 44 . DOUB P5 O25 no N 44 . 17838 IHP 45 . SING P5 O35 no N 45 . 17838 IHP 46 . SING P5 O45 no N 46 . 17838 IHP 47 . SING O35 H35 no N 47 . 17838 IHP 48 . SING O45 H45 no N 48 . 17838 IHP 49 . SING O16 P6 no N 49 . 17838 IHP 50 . DOUB P6 O26 no N 50 . 17838 IHP 51 . SING P6 O36 no N 51 . 17838 IHP 52 . SING P6 O46 no N 52 . 17838 IHP 53 . SING O36 H36 no N 53 . 17838 IHP 54 . SING O46 H46 no N 54 . 17838 IHP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17838 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'C2B (13C & 15N labeled) with unlabeled IP6' _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 'C2B domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 17838 1 2 IHP 'natural abundance' . . 2 $IHP . . 1.1 . . mM . . . . 17838 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17838 1 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17838 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17838 1 6 'Calcium Chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 17838 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17838 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17838 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 17838 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 17838 1 pH 6.0 . pH 17838 1 pressure 1 . atm 17838 1 temperature 298 . K 17838 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17838 _Software.ID 1 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17838 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17838 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17838 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17838 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17838 2 'data analysis' 17838 2 'peak picking' 17838 2 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17838 _Software.ID 3 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17838 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17838 3 processing 17838 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17838 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model varian _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 17838 _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 Varian varian . 700 . . . 17838 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 17838 _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 . . . . . . . . . . . . . . . . 17838 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17838 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17838 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17838 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17838 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17838 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17838 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17838 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17838 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17838 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17838 1 12 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17838 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 17838 _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 TSP 'methyl carbon' . . . . ppm 0 internal indirect 1 . . . . . . . . . 17838 1 H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 17838 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 internal indirect 1 . . . . . . . . . 17838 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 17838 _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' . . . 17838 1 2 '3D CBCA(CO)NH' . . . 17838 1 3 '3D C(CO)NH' . . . 17838 1 4 '3D HNCO' . . . 17838 1 5 '3D HNCA' . . . 17838 1 6 '3D HBHA(CO)NH' . . . 17838 1 7 '3D HN(CO)CA' . . . 17838 1 8 '3D H(CCO)NH' . . . 17838 1 9 '3D HCCH-TOCSY' . . . 17838 1 10 '3D 1H-15N NOESY' . . . 17838 1 11 '3D 1H-13C NOESY' . . . 17838 1 12 '3D HCCH-COSY' . . . 17838 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 1 1 GLN H H 1 8.59 0 . 1 . . . . 270 GLN H . 17838 1 2 . 1 1 1 1 GLN HA H 1 4.27 0 . 1 . . . . 270 GLN HA . 17838 1 3 . 1 1 1 1 GLN HB2 H 1 1.97 0 . 2 . . . . 270 GLN HB2 . 17838 1 4 . 1 1 1 1 GLN HB3 H 1 1.97 0 . 2 . . . . 270 GLN HB3 . 17838 1 5 . 1 1 1 1 GLN HG2 H 1 2.27 0 . 2 . . . . 270 GLN HG2 . 17838 1 6 . 1 1 1 1 GLN HG3 H 1 2.27 0 . 2 . . . . 270 GLN HG3 . 17838 1 7 . 1 1 1 1 GLN C C 13 175.63 0 . 1 . . . . 270 GLN C . 17838 1 8 . 1 1 1 1 GLN CA C 13 55.9 0 . 1 . . . . 270 GLN CA . 17838 1 9 . 1 1 1 1 GLN CB C 13 29.29 0 . 1 . . . . 270 GLN CB . 17838 1 10 . 1 1 1 1 GLN CG C 13 33.87 0 . 1 . . . . 270 GLN CG . 17838 1 11 . 1 1 1 1 GLN N N 15 122.41 0 . 1 . . . . 270 GLN N . 17838 1 12 . 1 1 2 2 GLU H H 1 8.28 0 . 1 . . . A 271 GLU H . 17838 1 13 . 1 1 2 2 GLU HA H 1 4.14 0 . 1 . . . A 271 GLU HA . 17838 1 14 . 1 1 2 2 GLU HB2 H 1 1.85 0 . 2 . . . A 271 GLU HB2 . 17838 1 15 . 1 1 2 2 GLU HB3 H 1 1.85 0 . 2 . . . A 271 GLU HB3 . 17838 1 16 . 1 1 2 2 GLU HG2 H 1 2.14 0 . 2 . . . A 271 GLU HG2 . 17838 1 17 . 1 1 2 2 GLU HG3 H 1 2.14 0 . 2 . . . A 271 GLU HG3 . 17838 1 18 . 1 1 2 2 GLU C C 13 175.71 0 . 1 . . . A 271 GLU C . 17838 1 19 . 1 1 2 2 GLU CA C 13 56.28 0 . 1 . . . A 271 GLU CA . 17838 1 20 . 1 1 2 2 GLU CB C 13 30.49 0 . 1 . . . A 271 GLU CB . 17838 1 21 . 1 1 2 2 GLU CG C 13 36 0 . 1 . . . A 271 GLU CG . 17838 1 22 . 1 1 2 2 GLU N N 15 122.54 0 . 1 . . . A 271 GLU N . 17838 1 23 . 1 1 3 3 LYS H H 1 8.47 0 . 1 . . . A 272 LYS H . 17838 1 24 . 1 1 3 3 LYS HA H 1 4.19 0 . 1 . . . A 272 LYS HA . 17838 1 25 . 1 1 3 3 LYS HB2 H 1 1.86 0 . 2 . . . A 272 LYS HB2 . 17838 1 26 . 1 1 3 3 LYS HB3 H 1 1.81 0 . 2 . . . A 272 LYS HB3 . 17838 1 27 . 1 1 3 3 LYS HG2 H 1 1.4 0 . 2 . . . A 272 LYS HG2 . 17838 1 28 . 1 1 3 3 LYS HG3 H 1 1.53 0 . 2 . . . A 272 LYS HG3 . 17838 1 29 . 1 1 3 3 LYS HD2 H 1 1.74 0 . 2 . . . A 272 LYS HD2 . 17838 1 30 . 1 1 3 3 LYS HD3 H 1 1.74 0 . 2 . . . A 272 LYS HD3 . 17838 1 31 . 1 1 3 3 LYS HE2 H 1 3.01 0 . 2 . . . A 272 LYS HE2 . 17838 1 32 . 1 1 3 3 LYS HE3 H 1 3.01 0 . 2 . . . A 272 LYS HE3 . 17838 1 33 . 1 1 3 3 LYS C C 13 176.41 0 . 1 . . . A 272 LYS C . 17838 1 34 . 1 1 3 3 LYS CA C 13 56.16 0 . 1 . . . A 272 LYS CA . 17838 1 35 . 1 1 3 3 LYS CB C 13 31.95 0 . 1 . . . A 272 LYS CB . 17838 1 36 . 1 1 3 3 LYS CG C 13 24.87 0 . 1 . . . A 272 LYS CG . 17838 1 37 . 1 1 3 3 LYS CD C 13 28.83 0 . 1 . . . A 272 LYS CD . 17838 1 38 . 1 1 3 3 LYS CE C 13 40.22 0 . 1 . . . A 272 LYS CE . 17838 1 39 . 1 1 3 3 LYS N N 15 123.8 0 . 1 . . . A 272 LYS N . 17838 1 40 . 1 1 4 4 LEU H H 1 8.61 0 . 1 . . . A 273 LEU H . 17838 1 41 . 1 1 4 4 LEU HA H 1 4.2 0 . 1 . . . A 273 LEU HA . 17838 1 42 . 1 1 4 4 LEU HB2 H 1 1.28 0 . 2 . . . A 273 LEU HB2 . 17838 1 43 . 1 1 4 4 LEU HB3 H 1 1.53 0 . 2 . . . A 273 LEU HB3 . 17838 1 44 . 1 1 4 4 LEU HG H 1 1.59 0 . 1 . . . A 273 LEU HG . 17838 1 45 . 1 1 4 4 LEU HD11 H 1 0.81 0 . 2 . . . A 273 LEU HD11 . 17838 1 46 . 1 1 4 4 LEU HD12 H 1 0.81 0 . 2 . . . A 273 LEU HD12 . 17838 1 47 . 1 1 4 4 LEU HD13 H 1 0.81 0 . 2 . . . A 273 LEU HD13 . 17838 1 48 . 1 1 4 4 LEU HD21 H 1 0.81 0 . 2 . . . A 273 LEU HD21 . 17838 1 49 . 1 1 4 4 LEU HD22 H 1 0.81 0 . 2 . . . A 273 LEU HD22 . 17838 1 50 . 1 1 4 4 LEU HD23 H 1 0.81 0 . 2 . . . A 273 LEU HD23 . 17838 1 51 . 1 1 4 4 LEU C C 13 175.13 0 . 1 . . . A 273 LEU C . 17838 1 52 . 1 1 4 4 LEU CA C 13 55.94 0 . 1 . . . A 273 LEU CA . 17838 1 53 . 1 1 4 4 LEU CB C 13 43.33 0 . 1 . . . A 273 LEU CB . 17838 1 54 . 1 1 4 4 LEU CG C 13 26.97 0 . 1 . . . A 273 LEU CG . 17838 1 55 . 1 1 4 4 LEU CD1 C 13 24.61 0 . 2 . . . A 273 LEU CD1 . 17838 1 56 . 1 1 4 4 LEU CD2 C 13 22.87 0 . 2 . . . A 273 LEU CD2 . 17838 1 57 . 1 1 4 4 LEU N N 15 125.15 0 . 1 . . . A 273 LEU N . 17838 1 58 . 1 1 5 5 GLY H H 1 7.17 0 . 1 . . . A 274 GLY H . 17838 1 59 . 1 1 5 5 GLY HA2 H 1 4.41 0 . 2 . . . A 274 GLY HA2 . 17838 1 60 . 1 1 5 5 GLY HA3 H 1 3.53 0 . . . . . A 274 GLY HA3 . 17838 1 61 . 1 1 5 5 GLY C C 13 171.63 0 . 1 . . . A 274 GLY C . 17838 1 62 . 1 1 5 5 GLY CA C 13 44.48 0 . 1 . . . A 274 GLY CA . 17838 1 63 . 1 1 5 5 GLY N N 15 102.38 0 . 1 . . . A 274 GLY N . 17838 1 64 . 1 1 6 6 ASP H H 1 8.5 0 . 1 . . . A 275 ASP H . 17838 1 65 . 1 1 6 6 ASP HA H 1 5.76 0 . 1 . . . A 275 ASP HA . 17838 1 66 . 1 1 6 6 ASP HB2 H 1 2.28 0 . 2 . . . A 275 ASP HB2 . 17838 1 67 . 1 1 6 6 ASP HB3 H 1 2.76 0 . 2 . . . A 275 ASP HB3 . 17838 1 68 . 1 1 6 6 ASP C C 13 174.88 0 . 1 . . . A 275 ASP C . 17838 1 69 . 1 1 6 6 ASP CA C 13 53.16 0 . 1 . . . A 275 ASP CA . 17838 1 70 . 1 1 6 6 ASP CB C 13 45.72 0 . 1 . . . A 275 ASP CB . 17838 1 71 . 1 1 6 6 ASP N N 15 116.43 0 . 1 . . . A 275 ASP N . 17838 1 72 . 1 1 7 7 ILE H H 1 9.93 0 . 1 . . . A 276 ILE H . 17838 1 73 . 1 1 7 7 ILE HA H 1 5.22 0 . 1 . . . A 276 ILE HA . 17838 1 74 . 1 1 7 7 ILE HB H 1 1.46 0 . 1 . . . A 276 ILE HB . 17838 1 75 . 1 1 7 7 ILE HG12 H 1 1.86 0 . 2 . . . A 276 ILE HG12 . 17838 1 76 . 1 1 7 7 ILE HG13 H 1 1.2 0 . 2 . . . A 276 ILE HG13 . 17838 1 77 . 1 1 7 7 ILE HG21 H 1 1.02 0 . 1 . . . A 276 ILE HG21 . 17838 1 78 . 1 1 7 7 ILE HG22 H 1 1.02 0 . 1 . . . A 276 ILE HG22 . 17838 1 79 . 1 1 7 7 ILE HG23 H 1 1.02 0 . 1 . . . A 276 ILE HG23 . 17838 1 80 . 1 1 7 7 ILE HD11 H 1 0.75 0 . 1 . . . A 276 ILE HD11 . 17838 1 81 . 1 1 7 7 ILE HD12 H 1 0.75 0 . 1 . . . A 276 ILE HD12 . 17838 1 82 . 1 1 7 7 ILE HD13 H 1 0.75 0 . 1 . . . A 276 ILE HD13 . 17838 1 83 . 1 1 7 7 ILE C C 13 173.9 0 . 1 . . . A 276 ILE C . 17838 1 84 . 1 1 7 7 ILE CA C 13 58.73 0 . 1 . . . A 276 ILE CA . 17838 1 85 . 1 1 7 7 ILE CB C 13 43.68 0 . 1 . . . A 276 ILE CB . 17838 1 86 . 1 1 7 7 ILE CG1 C 13 29.48 0 . 1 . . . A 276 ILE CG1 . 17838 1 87 . 1 1 7 7 ILE CG2 C 13 16.75 0 . 1 . . . A 276 ILE CG2 . 17838 1 88 . 1 1 7 7 ILE CD1 C 13 15.28 0 . . . . . A 276 ILE CD1 . 17838 1 89 . 1 1 7 7 ILE N N 15 118.64 0 . 1 . . . A 276 ILE N . 17838 1 90 . 1 1 8 8 CYS H H 1 8.92 0 . 1 . . . A 277 CYS H . 17838 1 91 . 1 1 8 8 CYS HA H 1 4.56 0 . 1 . . . A 277 CYS HA . 17838 1 92 . 1 1 8 8 CYS HB2 H 1 1.51 0 . 2 . . . A 277 CYS HB2 . 17838 1 93 . 1 1 8 8 CYS HB3 H 1 -0.36 0 . 2 . . . A 277 CYS HB3 . 17838 1 94 . 1 1 8 8 CYS C C 13 173.9 0 . 1 . . . A 277 CYS C . 17838 1 95 . 1 1 8 8 CYS CA C 13 56.34 0 . 1 . . . A 277 CYS CA . 17838 1 96 . 1 1 8 8 CYS CB C 13 25.93 0 . 1 . . . A 277 CYS CB . 17838 1 97 . 1 1 8 8 CYS N N 15 128.55 0 . 1 . . . A 277 CYS N . 17838 1 98 . 1 1 9 9 PHE H H 1 7.65 0 . 1 . . . A 278 PHE H . 17838 1 99 . 1 1 9 9 PHE HA H 1 5.33 0 . 1 . . . A 278 PHE HA . 17838 1 100 . 1 1 9 9 PHE HB2 H 1 3.03 0 . 2 . . . A 278 PHE HB2 . 17838 1 101 . 1 1 9 9 PHE HB3 H 1 3.21 0 . 2 . . . A 278 PHE HB3 . 17838 1 102 . 1 1 9 9 PHE HD1 H 1 6.76 0 . 3 . . . A 278 PHE HD1 . 17838 1 103 . 1 1 9 9 PHE HD2 H 1 6.76 0 . 3 . . . A 278 PHE HD2 . 17838 1 104 . 1 1 9 9 PHE HE1 H 1 6.76 0 . 3 . . . A 278 PHE HE1 . 17838 1 105 . 1 1 9 9 PHE HE2 H 1 6.76 0 . 3 . . . A 278 PHE HE2 . 17838 1 106 . 1 1 9 9 PHE HZ H 1 6.47 0 . 1 . . . A 278 PHE HZ . 17838 1 107 . 1 1 9 9 PHE C C 13 173.18 0 . 1 . . . A 278 PHE C . 17838 1 108 . 1 1 9 9 PHE CA C 13 54.72 0 . 1 . . . A 278 PHE CA . 17838 1 109 . 1 1 9 9 PHE CB C 13 43.08 0 . 1 . . . A 278 PHE CB . 17838 1 110 . 1 1 9 9 PHE N N 15 121.32 0 . 1 . . . A 278 PHE N . 17838 1 111 . 1 1 10 10 SER H H 1 9.92 0 . 1 . . . A 279 SER H . 17838 1 112 . 1 1 10 10 SER HA H 1 5.87 0 . 1 . . . A 279 SER HA . 17838 1 113 . 1 1 10 10 SER HB2 H 1 3.58 0 . 2 . . . A 279 SER HB2 . 17838 1 114 . 1 1 10 10 SER HB3 H 1 3.58 0 . 2 . . . A 279 SER HB3 . 17838 1 115 . 1 1 10 10 SER C C 13 172.82 0 . 1 . . . A 279 SER C . 17838 1 116 . 1 1 10 10 SER CA C 13 54.99 0 . 1 . . . A 279 SER CA . 17838 1 117 . 1 1 10 10 SER CB C 13 66.26 0 . 1 . . . A 279 SER CB . 17838 1 118 . 1 1 10 10 SER N N 15 116.16 0 . 1 . . . A 279 SER N . 17838 1 119 . 1 1 11 11 LEU H H 1 8.27 0 . 1 . . . A 280 LEU H . 17838 1 120 . 1 1 11 11 LEU HA H 1 5.1 0 . 1 . . . A 280 LEU HA . 17838 1 121 . 1 1 11 11 LEU HB2 H 1 1.35 0 . 2 . . . A 280 LEU HB2 . 17838 1 122 . 1 1 11 11 LEU HB3 H 1 1.68 0 . 2 . . . A 280 LEU HB3 . 17838 1 123 . 1 1 11 11 LEU HG H 1 1.36 0 . 1 . . . A 280 LEU HG . 17838 1 124 . 1 1 11 11 LEU HD11 H 1 0.56 0 . 2 . . . A 280 LEU HD11 . 17838 1 125 . 1 1 11 11 LEU HD12 H 1 0.56 0 . 2 . . . A 280 LEU HD12 . 17838 1 126 . 1 1 11 11 LEU HD13 H 1 0.56 0 . 2 . . . A 280 LEU HD13 . 17838 1 127 . 1 1 11 11 LEU HD21 H 1 0.98 0 . 2 . . . A 280 LEU HD21 . 17838 1 128 . 1 1 11 11 LEU HD22 H 1 0.98 0 . 2 . . . A 280 LEU HD22 . 17838 1 129 . 1 1 11 11 LEU HD23 H 1 0.98 0 . 2 . . . A 280 LEU HD23 . 17838 1 130 . 1 1 11 11 LEU C C 13 174.9 0 . 1 . . . A 280 LEU C . 17838 1 131 . 1 1 11 11 LEU CA C 13 53.02 0 . 1 . . . A 280 LEU CA . 17838 1 132 . 1 1 11 11 LEU CB C 13 46.79 0 . 1 . . . A 280 LEU CB . 17838 1 133 . 1 1 11 11 LEU CG C 13 27.87 0 . 1 . . . A 280 LEU CG . 17838 1 134 . 1 1 11 11 LEU CD1 C 13 24.38 0 . 2 . . . A 280 LEU CD1 . 17838 1 135 . 1 1 11 11 LEU CD2 C 13 23.98 0 . 2 . . . A 280 LEU CD2 . 17838 1 136 . 1 1 11 11 LEU N N 15 121.46 0 . 1 . . . A 280 LEU N . 17838 1 137 . 1 1 12 12 ARG H H 1 8.24 0 . 1 . . . A 281 ARG H . 17838 1 138 . 1 1 12 12 ARG HA H 1 4.74 0 . 1 . . . A 281 ARG HA . 17838 1 139 . 1 1 12 12 ARG HB2 H 1 1.67 0 . 2 . . . A 281 ARG HB2 . 17838 1 140 . 1 1 12 12 ARG HB3 H 1 1.38 0 . 2 . . . A 281 ARG HB3 . 17838 1 141 . 1 1 12 12 ARG HG2 H 1 1.04 0 . 2 . . . A 281 ARG HG2 . 17838 1 142 . 1 1 12 12 ARG HG3 H 1 1.04 0 . 2 . . . A 281 ARG HG3 . 17838 1 143 . 1 1 12 12 ARG HD2 H 1 2.92 0 . 2 . . . A 281 ARG HD2 . 17838 1 144 . 1 1 12 12 ARG HD3 H 1 2.81 0 . 2 . . . A 281 ARG HD3 . 17838 1 145 . 1 1 12 12 ARG C C 13 173.41 0 . 1 . . . A 281 ARG C . 17838 1 146 . 1 1 12 12 ARG CA C 13 54.81 0 . 1 . . . A 281 ARG CA . 17838 1 147 . 1 1 12 12 ARG CB C 13 34.56 0 . 1 . . . A 281 ARG CB . 17838 1 148 . 1 1 12 12 ARG CG C 13 27.34 0 . 1 . . . A 281 ARG CG . 17838 1 149 . 1 1 12 12 ARG CD C 13 43.96 0 . 1 . . . A 281 ARG CD . 17838 1 150 . 1 1 12 12 ARG N N 15 120.48 0 . 1 . . . A 281 ARG N . 17838 1 151 . 1 1 13 13 TYR H H 1 9.37 0 . 1 . . . A 282 TYR H . 17838 1 152 . 1 1 13 13 TYR HA H 1 5.49 0 . 1 . . . A 282 TYR HA . 17838 1 153 . 1 1 13 13 TYR HB2 H 1 3.1 0 . 2 . . . A 282 TYR HB2 . 17838 1 154 . 1 1 13 13 TYR HB3 H 1 2.55 0 . 2 . . . A 282 TYR HB3 . 17838 1 155 . 1 1 13 13 TYR HD1 H 1 6.93 0 . 3 . . . A 282 TYR HD1 . 17838 1 156 . 1 1 13 13 TYR HD2 H 1 6.93 0 . 3 . . . A 282 TYR HD2 . 17838 1 157 . 1 1 13 13 TYR HE1 H 1 6.75 0 . 3 . . . A 282 TYR HE1 . 17838 1 158 . 1 1 13 13 TYR HE2 H 1 6.75 0 . 3 . . . A 282 TYR HE2 . 17838 1 159 . 1 1 13 13 TYR C C 13 174.27 0 . 1 . . . A 282 TYR C . 17838 1 160 . 1 1 13 13 TYR CA C 13 56.41 0 . 1 . . . A 282 TYR CA . 17838 1 161 . 1 1 13 13 TYR CB C 13 39.74 0 . 1 . . . A 282 TYR CB . 17838 1 162 . 1 1 13 13 TYR N N 15 127.49 0 . 1 . . . A 282 TYR N . 17838 1 163 . 1 1 14 14 VAL H H 1 7.48 0 . 1 . . . A 283 VAL H . 17838 1 164 . 1 1 14 14 VAL HA H 1 4.24 0 . 1 . . . A 283 VAL HA . 17838 1 165 . 1 1 14 14 VAL HB H 1 1.91 0 . 1 . . . A 283 VAL HB . 17838 1 166 . 1 1 14 14 VAL HG11 H 1 0.8 0 . 2 . . . A 283 VAL HG11 . 17838 1 167 . 1 1 14 14 VAL HG12 H 1 0.8 0 . 2 . . . A 283 VAL HG12 . 17838 1 168 . 1 1 14 14 VAL HG13 H 1 0.8 0 . 2 . . . A 283 VAL HG13 . 17838 1 169 . 1 1 14 14 VAL HG21 H 1 0.9 0 . 2 . . . A 283 VAL HG21 . 17838 1 170 . 1 1 14 14 VAL HG22 H 1 0.9 0 . 2 . . . A 283 VAL HG22 . 17838 1 171 . 1 1 14 14 VAL HG23 H 1 0.9 0 . 2 . . . A 283 VAL HG23 . 17838 1 172 . 1 1 14 14 VAL CA C 13 58.7 0 . 1 . . . A 283 VAL CA . 17838 1 173 . 1 1 14 14 VAL CB C 13 32.45 0 . 1 . . . A 283 VAL CB . 17838 1 174 . 1 1 14 14 VAL N N 15 127.66 0 . 1 . . . A 283 VAL N . 17838 1 175 . 1 1 15 15 PRO HA H 1 3.78 0 . 1 . . . A 284 PRO HA . 17838 1 176 . 1 1 15 15 PRO HB2 H 1 1.99 0 . 2 . . . A 284 PRO HB2 . 17838 1 177 . 1 1 15 15 PRO HB3 H 1 1.75 0 . 2 . . . A 284 PRO HB3 . 17838 1 178 . 1 1 15 15 PRO HG2 H 1 2.1 0 . 2 . . . A 284 PRO HG2 . 17838 1 179 . 1 1 15 15 PRO HG3 H 1 2.1 0 . 2 . . . A 284 PRO HG3 . 17838 1 180 . 1 1 15 15 PRO HD2 H 1 4.02 0 . 2 . . . A 284 PRO HD2 . 17838 1 181 . 1 1 15 15 PRO HD3 H 1 3.61 0 . 2 . . . A 284 PRO HD3 . 17838 1 182 . 1 1 15 15 PRO C C 13 178.15 0 . 1 . . . A 284 PRO C . 17838 1 183 . 1 1 15 15 PRO CA C 13 65.54 0 . 1 . . . A 284 PRO CA . 17838 1 184 . 1 1 15 15 PRO CB C 13 32.36 0 . 1 . . . A 284 PRO CB . 17838 1 185 . 1 1 15 15 PRO CG C 13 26.96 0 . 1 . . . A 284 PRO CG . 17838 1 186 . 1 1 15 15 PRO CD C 13 51.48 0 . 1 . . . A 284 PRO CD . 17838 1 187 . 1 1 16 16 THR H H 1 7.69 0 . 1 . . . A 285 THR H . 17838 1 188 . 1 1 16 16 THR HA H 1 3.85 0 . 1 . . . A 285 THR HA . 17838 1 189 . 1 1 16 16 THR HB H 1 4.05 0 . 1 . . . A 285 THR HB . 17838 1 190 . 1 1 16 16 THR HG21 H 1 1.19 0 . 1 . . . A 285 THR HG21 . 17838 1 191 . 1 1 16 16 THR HG22 H 1 1.19 0 . 1 . . . A 285 THR HG22 . 17838 1 192 . 1 1 16 16 THR HG23 H 1 1.19 0 . 1 . . . A 285 THR HG23 . 17838 1 193 . 1 1 16 16 THR C C 13 174.88 0 . 1 . . . A 285 THR C . 17838 1 194 . 1 1 16 16 THR CA C 13 64.49 0 . 1 . . . A 285 THR CA . 17838 1 195 . 1 1 16 16 THR CB C 13 68.15 0 . 1 . . . A 285 THR CB . 17838 1 196 . 1 1 16 16 THR CG2 C 13 22.74 0 . . . . . A 285 THR CG2 . 17838 1 197 . 1 1 16 16 THR N N 15 109.04 0 . 1 . . . A 285 THR N . 17838 1 198 . 1 1 17 17 ALA H H 1 6.52 0 . 1 . . . A 286 ALA H . 17838 1 199 . 1 1 17 17 ALA HA H 1 4.38 0 . 1 . . . A 286 ALA HA . 17838 1 200 . 1 1 17 17 ALA HB1 H 1 1.19 0 . 1 . . . A 286 ALA HB1 . 17838 1 201 . 1 1 17 17 ALA HB2 H 1 1.19 0 . 1 . . . A 286 ALA HB2 . 17838 1 202 . 1 1 17 17 ALA HB3 H 1 1.19 0 . 1 . . . A 286 ALA HB3 . 17838 1 203 . 1 1 17 17 ALA C C 13 177.04 0 . 1 . . . A 286 ALA C . 17838 1 204 . 1 1 17 17 ALA CA C 13 51.45 0 . 1 . . . A 286 ALA CA . 17838 1 205 . 1 1 17 17 ALA CB C 13 20.32 0 . 1 . . . A 286 ALA CB . 17838 1 206 . 1 1 17 17 ALA N N 15 119.76 0 . 1 . . . A 286 ALA N . 17838 1 207 . 1 1 18 18 GLY H H 1 7.69 0 . 1 . . . A 287 GLY H . 17838 1 208 . 1 1 18 18 GLY HA2 H 1 3.74 0 . 2 . . . A 287 GLY HA2 . 17838 1 209 . 1 1 18 18 GLY HA3 H 1 3.74 0 . . . . . A 287 GLY HA3 . 17838 1 210 . 1 1 18 18 GLY C C 13 173.99 0 . 1 . . . A 287 GLY C . 17838 1 211 . 1 1 18 18 GLY CA C 13 47.15 0 . 1 . . . A 287 GLY CA . 17838 1 212 . 1 1 18 18 GLY N N 15 109.04 0 . 1 . . . A 287 GLY N . 17838 1 213 . 1 1 19 19 LYS H H 1 6.63 0 . 1 . . . A 288 LYS H . 17838 1 214 . 1 1 19 19 LYS HA H 1 4.89 0 . 1 . . . A 288 LYS HA . 17838 1 215 . 1 1 19 19 LYS HB2 H 1 1.35 0 . 2 . . . A 288 LYS HB2 . 17838 1 216 . 1 1 19 19 LYS HB3 H 1 1.48 0 . 2 . . . A 288 LYS HB3 . 17838 1 217 . 1 1 19 19 LYS HG2 H 1 1.2 0 . 2 . . . A 288 LYS HG2 . 17838 1 218 . 1 1 19 19 LYS HG3 H 1 1.31 0 . 2 . . . A 288 LYS HG3 . 17838 1 219 . 1 1 19 19 LYS HD2 H 1 1.59 0 . 2 . . . A 288 LYS HD2 . 17838 1 220 . 1 1 19 19 LYS HD3 H 1 1.59 0 . 2 . . . A 288 LYS HD3 . 17838 1 221 . 1 1 19 19 LYS HE2 H 1 2.87 0 . 2 . . . A 288 LYS HE2 . 17838 1 222 . 1 1 19 19 LYS HE3 H 1 2.87 0 . 2 . . . A 288 LYS HE3 . 17838 1 223 . 1 1 19 19 LYS C C 13 173.91 0 . 1 . . . A 288 LYS C . 17838 1 224 . 1 1 19 19 LYS CA C 13 55.1 0 . 1 . . . A 288 LYS CA . 17838 1 225 . 1 1 19 19 LYS CB C 13 35.52 0 . 1 . . . A 288 LYS CB . 17838 1 226 . 1 1 19 19 LYS CG C 13 24.39 0 . 1 . . . A 288 LYS CG . 17838 1 227 . 1 1 19 19 LYS CD C 13 28.76 0 . 1 . . . A 288 LYS CD . 17838 1 228 . 1 1 19 19 LYS N N 15 117.03 0 . 1 . . . A 288 LYS N . 17838 1 229 . 1 1 20 20 LEU H H 1 9.26 0 . 1 . . . A 289 LEU H . 17838 1 230 . 1 1 20 20 LEU HA H 1 5.48 0 . 1 . . . A 289 LEU HA . 17838 1 231 . 1 1 20 20 LEU HB2 H 1 1.37 0 . 2 . . . A 289 LEU HB2 . 17838 1 232 . 1 1 20 20 LEU HB3 H 1 2.06 0 . 2 . . . A 289 LEU HB3 . 17838 1 233 . 1 1 20 20 LEU HG H 1 1.61 0 . 1 . . . A 289 LEU HG . 17838 1 234 . 1 1 20 20 LEU HD11 H 1 0.84 0 . 2 . . . A 289 LEU HD11 . 17838 1 235 . 1 1 20 20 LEU HD12 H 1 0.84 0 . 2 . . . A 289 LEU HD12 . 17838 1 236 . 1 1 20 20 LEU HD13 H 1 0.84 0 . 2 . . . A 289 LEU HD13 . 17838 1 237 . 1 1 20 20 LEU HD21 H 1 0.75 0 . 2 . . . A 289 LEU HD21 . 17838 1 238 . 1 1 20 20 LEU HD22 H 1 0.75 0 . 2 . . . A 289 LEU HD22 . 17838 1 239 . 1 1 20 20 LEU HD23 H 1 0.75 0 . 2 . . . A 289 LEU HD23 . 17838 1 240 . 1 1 20 20 LEU C C 13 174.75 0 . 1 . . . A 289 LEU C . 17838 1 241 . 1 1 20 20 LEU CA C 13 53.62 0 . 1 . . . A 289 LEU CA . 17838 1 242 . 1 1 20 20 LEU CB C 13 45.84 0 . 1 . . . A 289 LEU CB . 17838 1 243 . 1 1 20 20 LEU CG C 13 28.35 0 . 1 . . . A 289 LEU CG . 17838 1 244 . 1 1 20 20 LEU CD1 C 13 25 0 . 2 . . . A 289 LEU CD1 . 17838 1 245 . 1 1 20 20 LEU CD2 C 13 26.35 0 . 2 . . . A 289 LEU CD2 . 17838 1 246 . 1 1 20 20 LEU N N 15 131.97 0 . 1 . . . A 289 LEU N . 17838 1 247 . 1 1 21 21 THR H H 1 9.77 0 . 1 . . . A 290 THR H . 17838 1 248 . 1 1 21 21 THR HA H 1 5.26 0 . 1 . . . A 290 THR HA . 17838 1 249 . 1 1 21 21 THR HB H 1 3.71 0 . 1 . . . A 290 THR HB . 17838 1 250 . 1 1 21 21 THR HG21 H 1 0.91 0 . 1 . . . A 290 THR HG21 . 17838 1 251 . 1 1 21 21 THR HG22 H 1 0.91 0 . 1 . . . A 290 THR HG22 . 17838 1 252 . 1 1 21 21 THR HG23 H 1 0.91 0 . 1 . . . A 290 THR HG23 . 17838 1 253 . 1 1 21 21 THR C C 13 173.65 0 . 1 . . . A 290 THR C . 17838 1 254 . 1 1 21 21 THR CA C 13 62.07 0 . 1 . . . A 290 THR CA . 17838 1 255 . 1 1 21 21 THR CB C 13 70.92 0 . 1 . . . A 290 THR CB . 17838 1 256 . 1 1 21 21 THR CG2 C 13 22.43 0 . . . . . A 290 THR CG2 . 17838 1 257 . 1 1 21 21 THR N N 15 124.18 0 . 1 . . . A 290 THR N . 17838 1 258 . 1 1 22 22 VAL H H 1 9.51 0 . 1 . . . A 291 VAL H . 17838 1 259 . 1 1 22 22 VAL HA H 1 5.01 0 . 1 . . . A 291 VAL HA . 17838 1 260 . 1 1 22 22 VAL HB H 1 2.05 0 . 1 . . . A 291 VAL HB . 17838 1 261 . 1 1 22 22 VAL HG11 H 1 0.78 0 . 2 . . . A 291 VAL HG11 . 17838 1 262 . 1 1 22 22 VAL HG12 H 1 0.78 0 . 2 . . . A 291 VAL HG12 . 17838 1 263 . 1 1 22 22 VAL HG13 H 1 0.78 0 . 2 . . . A 291 VAL HG13 . 17838 1 264 . 1 1 22 22 VAL HG21 H 1 1.01 0 . 2 . . . A 291 VAL HG21 . 17838 1 265 . 1 1 22 22 VAL HG22 H 1 1.01 0 . 2 . . . A 291 VAL HG22 . 17838 1 266 . 1 1 22 22 VAL HG23 H 1 1.01 0 . 2 . . . A 291 VAL HG23 . 17838 1 267 . 1 1 22 22 VAL C C 13 174.51 0 . 1 . . . A 291 VAL C . 17838 1 268 . 1 1 22 22 VAL CA C 13 59.97 0 . 1 . . . A 291 VAL CA . 17838 1 269 . 1 1 22 22 VAL CB C 13 34.9 0 . 1 . . . A 291 VAL CB . 17838 1 270 . 1 1 22 22 VAL CG1 C 13 20.08 0 . 2 . . . A 291 VAL CG1 . 17838 1 271 . 1 1 22 22 VAL CG2 C 13 20.34 0 . 2 . . . A 291 VAL CG2 . 17838 1 272 . 1 1 22 22 VAL N N 15 129.97 0 . 1 . . . A 291 VAL N . 17838 1 273 . 1 1 23 23 VAL H H 1 8.65 0 . 1 . . . A 292 VAL H . 17838 1 274 . 1 1 23 23 VAL HA H 1 4.83 0 . 1 . . . A 292 VAL HA . 17838 1 275 . 1 1 23 23 VAL HB H 1 2.1 0 . 1 . . . A 292 VAL HB . 17838 1 276 . 1 1 23 23 VAL HG11 H 1 0.6 0 . 2 . . . A 292 VAL HG11 . 17838 1 277 . 1 1 23 23 VAL HG12 H 1 0.6 0 . 2 . . . A 292 VAL HG12 . 17838 1 278 . 1 1 23 23 VAL HG13 H 1 0.6 0 . 2 . . . A 292 VAL HG13 . 17838 1 279 . 1 1 23 23 VAL HG21 H 1 0.8 0 . 2 . . . A 292 VAL HG21 . 17838 1 280 . 1 1 23 23 VAL HG22 H 1 0.8 0 . 2 . . . A 292 VAL HG22 . 17838 1 281 . 1 1 23 23 VAL HG23 H 1 0.8 0 . 2 . . . A 292 VAL HG23 . 17838 1 282 . 1 1 23 23 VAL C C 13 177.61 0 . 1 . . . A 292 VAL C . 17838 1 283 . 1 1 23 23 VAL CA C 13 60.37 0 . 1 . . . A 292 VAL CA . 17838 1 284 . 1 1 23 23 VAL CB C 13 32.23 0 . 1 . . . A 292 VAL CB . 17838 1 285 . 1 1 23 23 VAL CG1 C 13 21.15 0 . 2 . . . A 292 VAL CG1 . 17838 1 286 . 1 1 23 23 VAL CG2 C 13 21.15 0 . 2 . . . A 292 VAL CG2 . 17838 1 287 . 1 1 23 23 VAL N N 15 125.67 0 . 1 . . . A 292 VAL N . 17838 1 288 . 1 1 24 24 ILE H H 1 9.1 0 . 1 . . . A 293 ILE H . 17838 1 289 . 1 1 24 24 ILE HA H 1 4.01 0 . 1 . . . A 293 ILE HA . 17838 1 290 . 1 1 24 24 ILE HB H 1 2.09 0 . 1 . . . A 293 ILE HB . 17838 1 291 . 1 1 24 24 ILE HG12 H 1 1 0 . 2 . . . A 293 ILE HG12 . 17838 1 292 . 1 1 24 24 ILE HG13 H 1 1.75 0 . 2 . . . A 293 ILE HG13 . 17838 1 293 . 1 1 24 24 ILE HG21 H 1 0.47 0 . 1 . . . A 293 ILE HG21 . 17838 1 294 . 1 1 24 24 ILE HG22 H 1 0.47 0 . 1 . . . A 293 ILE HG22 . 17838 1 295 . 1 1 24 24 ILE HG23 H 1 0.47 0 . 1 . . . A 293 ILE HG23 . 17838 1 296 . 1 1 24 24 ILE HD11 H 1 0.39 0 . . . . . A 293 ILE HD11 . 17838 1 297 . 1 1 24 24 ILE HD12 H 1 0.39 0 . . . . . A 293 ILE HD12 . 17838 1 298 . 1 1 24 24 ILE HD13 H 1 0.39 0 . . . . . A 293 ILE HD13 . 17838 1 299 . 1 1 24 24 ILE C C 13 175.14 0 . 1 . . . A 293 ILE C . 17838 1 300 . 1 1 24 24 ILE CA C 13 58.56 0 . 1 . . . A 293 ILE CA . 17838 1 301 . 1 1 24 24 ILE CB C 13 34.58 0 . 1 . . . A 293 ILE CB . 17838 1 302 . 1 1 24 24 ILE CG1 C 13 25.82 0 . 1 . . . A 293 ILE CG1 . 17838 1 303 . 1 1 24 24 ILE CG2 C 13 15.57 0 . 1 . . . A 293 ILE CG2 . 17838 1 304 . 1 1 24 24 ILE N N 15 125.63 0 . 1 . . . A 293 ILE N . 17838 1 305 . 1 1 25 25 LEU H H 1 8.26 0 . 1 . . . A 294 LEU H . 17838 1 306 . 1 1 25 25 LEU HA H 1 4.11 0 . 1 . . . A 294 LEU HA . 17838 1 307 . 1 1 25 25 LEU HB2 H 1 1.66 0 . 2 . . . A 294 LEU HB2 . 17838 1 308 . 1 1 25 25 LEU HB3 H 1 1.43 0 . 2 . . . A 294 LEU HB3 . 17838 1 309 . 1 1 25 25 LEU HG H 1 1.66 0 . 1 . . . A 294 LEU HG . 17838 1 310 . 1 1 25 25 LEU HD11 H 1 0.66 0 . 2 . . . A 294 LEU HD11 . 17838 1 311 . 1 1 25 25 LEU HD12 H 1 0.66 0 . 2 . . . A 294 LEU HD12 . 17838 1 312 . 1 1 25 25 LEU HD13 H 1 0.66 0 . 2 . . . A 294 LEU HD13 . 17838 1 313 . 1 1 25 25 LEU HD21 H 1 0.69 0 . 2 . . . A 294 LEU HD21 . 17838 1 314 . 1 1 25 25 LEU HD22 H 1 0.69 0 . 2 . . . A 294 LEU HD22 . 17838 1 315 . 1 1 25 25 LEU HD23 H 1 0.69 0 . 2 . . . A 294 LEU HD23 . 17838 1 316 . 1 1 25 25 LEU C C 13 175.25 0 . 1 . . . A 294 LEU C . 17838 1 317 . 1 1 25 25 LEU CA C 13 58.21 0 . 1 . . . A 294 LEU CA . 17838 1 318 . 1 1 25 25 LEU CB C 13 41.47 0 . 1 . . . A 294 LEU CB . 17838 1 319 . 1 1 25 25 LEU CG C 13 25.97 0 . 1 . . . A 294 LEU CG . 17838 1 320 . 1 1 25 25 LEU CD1 C 13 26.07 0 . 2 . . . A 294 LEU CD1 . 17838 1 321 . 1 1 25 25 LEU CD2 C 13 23.56 0 . 2 . . . A 294 LEU CD2 . 17838 1 322 . 1 1 25 25 LEU N N 15 130.57 0 . 1 . . . A 294 LEU N . 17838 1 323 . 1 1 26 26 GLU H H 1 7.49 0 . 1 . . . A 295 GLU H . 17838 1 324 . 1 1 26 26 GLU HA H 1 5.05 0 . 1 . . . A 295 GLU HA . 17838 1 325 . 1 1 26 26 GLU HB2 H 1 2.44 0 . 2 . . . A 295 GLU HB2 . 17838 1 326 . 1 1 26 26 GLU HB3 H 1 2.44 0 . 2 . . . A 295 GLU HB3 . 17838 1 327 . 1 1 26 26 GLU HG2 H 1 1.93 0 . 2 . . . A 295 GLU HG2 . 17838 1 328 . 1 1 26 26 GLU HG3 H 1 2.05 0 . 2 . . . A 295 GLU HG3 . 17838 1 329 . 1 1 26 26 GLU C C 13 172.25 0 . 1 . . . A 295 GLU C . 17838 1 330 . 1 1 26 26 GLU CA C 13 54.97 0 . 1 . . . A 295 GLU CA . 17838 1 331 . 1 1 26 26 GLU CB C 13 32.99 0 . 1 . . . A 295 GLU CB . 17838 1 332 . 1 1 26 26 GLU CG C 13 35.23 0 . 1 . . . A 295 GLU CG . 17838 1 333 . 1 1 26 26 GLU N N 15 111.97 0 . 1 . . . A 295 GLU N . 17838 1 334 . 1 1 27 27 ALA H H 1 9.17 0 . 1 . . . A 296 ALA H . 17838 1 335 . 1 1 27 27 ALA HA H 1 5.55 0 . 1 . . . A 296 ALA HA . 17838 1 336 . 1 1 27 27 ALA HB1 H 1 1.49 0 . 1 . . . A 296 ALA HB1 . 17838 1 337 . 1 1 27 27 ALA HB2 H 1 1.49 0 . 1 . . . A 296 ALA HB2 . 17838 1 338 . 1 1 27 27 ALA HB3 H 1 1.49 0 . 1 . . . A 296 ALA HB3 . 17838 1 339 . 1 1 27 27 ALA C C 13 174.56 0 . 1 . . . A 296 ALA C . 17838 1 340 . 1 1 27 27 ALA CA C 13 50.78 0 . 1 . . . A 296 ALA CA . 17838 1 341 . 1 1 27 27 ALA CB C 13 22.69 0 . 1 . . . A 296 ALA CB . 17838 1 342 . 1 1 27 27 ALA N N 15 121.53 0 . 1 . . . A 296 ALA N . 17838 1 343 . 1 1 28 28 LYS H H 1 9.19 0 . 1 . . . A 297 LYS H . 17838 1 344 . 1 1 28 28 LYS HA H 1 5.38 0 . 1 . . . A 297 LYS HA . 17838 1 345 . 1 1 28 28 LYS HB2 H 1 1.71 0 . 2 . . . A 297 LYS HB2 . 17838 1 346 . 1 1 28 28 LYS HB3 H 1 1.83 0 . 2 . . . A 297 LYS HB3 . 17838 1 347 . 1 1 28 28 LYS HG2 H 1 1.22 0 . 2 . . . A 297 LYS HG2 . 17838 1 348 . 1 1 28 28 LYS HG3 H 1 1.22 0 . 2 . . . A 297 LYS HG3 . 17838 1 349 . 1 1 28 28 LYS HD2 H 1 1.22 0 . 2 . . . A 297 LYS HD2 . 17838 1 350 . 1 1 28 28 LYS HD3 H 1 1.41 0 . 2 . . . A 297 LYS HD3 . 17838 1 351 . 1 1 28 28 LYS HE2 H 1 1.79 0 . 2 . . . A 297 LYS HE2 . 17838 1 352 . 1 1 28 28 LYS HE3 H 1 2.18 0 . 2 . . . A 297 LYS HE3 . 17838 1 353 . 1 1 28 28 LYS C C 13 174.2 0 . 1 . . . A 297 LYS C . 17838 1 354 . 1 1 28 28 LYS CA C 13 54.97 0 . 1 . . . A 297 LYS CA . 17838 1 355 . 1 1 28 28 LYS CB C 13 37.66 0 . 1 . . . A 297 LYS CB . 17838 1 356 . 1 1 28 28 LYS CG C 13 24.36 0 . 1 . . . A 297 LYS CG . 17838 1 357 . 1 1 28 28 LYS CD C 13 29.27 0 . 1 . . . A 297 LYS CD . 17838 1 358 . 1 1 28 28 LYS CE C 13 41.12 0 . 1 . . . A 297 LYS CE . 17838 1 359 . 1 1 28 28 LYS N N 15 116.69 0 . 1 . . . A 297 LYS N . 17838 1 360 . 1 1 29 29 ASN H H 1 8.64 0 . 1 . . . A 298 ASN H . 17838 1 361 . 1 1 29 29 ASN HA H 1 4.15 0 . 1 . . . A 298 ASN HA . 17838 1 362 . 1 1 29 29 ASN HB2 H 1 2.78 0 . 2 . . . A 298 ASN HB2 . 17838 1 363 . 1 1 29 29 ASN HB3 H 1 2.78 0 . 2 . . . A 298 ASN HB3 . 17838 1 364 . 1 1 29 29 ASN HD21 H 1 6.81 0 . 2 . . . A 298 ASN HD21 . 17838 1 365 . 1 1 29 29 ASN HD22 H 1 7.26 0 . 2 . . . A 298 ASN HD22 . 17838 1 366 . 1 1 29 29 ASN C C 13 173.85 0 . 1 . . . A 298 ASN C . 17838 1 367 . 1 1 29 29 ASN CA C 13 53.6 0 . 1 . . . A 298 ASN CA . 17838 1 368 . 1 1 29 29 ASN CB C 13 37 0 . 1 . . . A 298 ASN CB . 17838 1 369 . 1 1 29 29 ASN N N 15 115.54 0 . 1 . . . A 298 ASN N . 17838 1 370 . 1 1 30 30 LEU H H 1 8.21 0 . 1 . . . A 299 LEU H . 17838 1 371 . 1 1 30 30 LEU HA H 1 4.5 0 . 1 . . . A 299 LEU HA . 17838 1 372 . 1 1 30 30 LEU HB2 H 1 1.29 0 . 2 . . . A 299 LEU HB2 . 17838 1 373 . 1 1 30 30 LEU HB3 H 1 1.6 0 . 2 . . . A 299 LEU HB3 . 17838 1 374 . 1 1 30 30 LEU HG H 1 1.8 0 . 1 . . . A 299 LEU HG . 17838 1 375 . 1 1 30 30 LEU HD11 H 1 0.61 0 . 2 . . . A 299 LEU HD11 . 17838 1 376 . 1 1 30 30 LEU HD12 H 1 0.61 0 . 2 . . . A 299 LEU HD12 . 17838 1 377 . 1 1 30 30 LEU HD13 H 1 0.61 0 . 2 . . . A 299 LEU HD13 . 17838 1 378 . 1 1 30 30 LEU HD21 H 1 0.9 0 . 2 . . . A 299 LEU HD21 . 17838 1 379 . 1 1 30 30 LEU HD22 H 1 0.9 0 . 2 . . . A 299 LEU HD22 . 17838 1 380 . 1 1 30 30 LEU HD23 H 1 0.9 0 . 2 . . . A 299 LEU HD23 . 17838 1 381 . 1 1 30 30 LEU C C 13 174.75 0 . 1 . . . A 299 LEU C . 17838 1 382 . 1 1 30 30 LEU CA C 13 55.01 0 . 1 . . . A 299 LEU CA . 17838 1 383 . 1 1 30 30 LEU CB C 13 42.82 0 . 1 . . . A 299 LEU CB . 17838 1 384 . 1 1 30 30 LEU CG C 13 26.75 0 . 1 . . . A 299 LEU CG . 17838 1 385 . 1 1 30 30 LEU CD1 C 13 26.99 0 . 2 . . . A 299 LEU CD1 . 17838 1 386 . 1 1 30 30 LEU CD2 C 13 23.17 0 . 2 . . . A 299 LEU CD2 . 17838 1 387 . 1 1 30 30 LEU N N 15 114.36 0 . 1 . . . A 299 LEU N . 17838 1 388 . 1 1 31 31 LYS H H 1 6.83 0 . 1 . . . A 300 LYS H . 17838 1 389 . 1 1 31 31 LYS HA H 1 3.9 0 . 1 . . . A 300 LYS HA . 17838 1 390 . 1 1 31 31 LYS HB2 H 1 1.74 0 . 2 . . . A 300 LYS HB2 . 17838 1 391 . 1 1 31 31 LYS HB3 H 1 1.57 0 . 2 . . . A 300 LYS HB3 . 17838 1 392 . 1 1 31 31 LYS HG2 H 1 1.43 0 . 2 . . . A 300 LYS HG2 . 17838 1 393 . 1 1 31 31 LYS HG3 H 1 1.31 0 . 2 . . . A 300 LYS HG3 . 17838 1 394 . 1 1 31 31 LYS HD2 H 1 1.6 0 . 2 . . . A 300 LYS HD2 . 17838 1 395 . 1 1 31 31 LYS HD3 H 1 1.6 0 . 2 . . . A 300 LYS HD3 . 17838 1 396 . 1 1 31 31 LYS HE2 H 1 3.01 0 . 2 . . . A 300 LYS HE2 . 17838 1 397 . 1 1 31 31 LYS HE3 H 1 3.01 0 . 2 . . . A 300 LYS HE3 . 17838 1 398 . 1 1 31 31 LYS C C 13 175.13 0 . 1 . . . A 300 LYS C . 17838 1 399 . 1 1 31 31 LYS CA C 13 56.63 0 . 1 . . . A 300 LYS CA . 17838 1 400 . 1 1 31 31 LYS CB C 13 35.06 0 . 1 . . . A 300 LYS CB . 17838 1 401 . 1 1 31 31 LYS CG C 13 24.91 0 . 1 . . . A 300 LYS CG . 17838 1 402 . 1 1 31 31 LYS CD C 13 30.5 0 . 1 . . . A 300 LYS CD . 17838 1 403 . 1 1 31 31 LYS CE C 13 42.16 0 . 1 . . . A 300 LYS CE . 17838 1 404 . 1 1 31 31 LYS N N 15 119.66 0 . 1 . . . A 300 LYS N . 17838 1 405 . 1 1 32 32 LYS H H 1 8.06 0 . 1 . . . A 301 LYS H . 17838 1 406 . 1 1 32 32 LYS HA H 1 3.76 0 . 1 . . . A 301 LYS HA . 17838 1 407 . 1 1 32 32 LYS HB2 H 1 1.76 0 . 2 . . . A 301 LYS HB2 . 17838 1 408 . 1 1 32 32 LYS HB3 H 1 1.88 0 . 2 . . . A 301 LYS HB3 . 17838 1 409 . 1 1 32 32 LYS HG2 H 1 1.25 0 . 2 . . . A 301 LYS HG2 . 17838 1 410 . 1 1 32 32 LYS HG3 H 1 1.7 0 . 2 . . . A 301 LYS HG3 . 17838 1 411 . 1 1 32 32 LYS HD2 H 1 1.8 0 . 2 . . . A 301 LYS HD2 . 17838 1 412 . 1 1 32 32 LYS HD3 H 1 1.8 0 . 2 . . . A 301 LYS HD3 . 17838 1 413 . 1 1 32 32 LYS HE2 H 1 3.13 0 . 2 . . . A 301 LYS HE2 . 17838 1 414 . 1 1 32 32 LYS HE3 H 1 3.13 0 . 2 . . . A 301 LYS HE3 . 17838 1 415 . 1 1 32 32 LYS C C 13 175.59 0 . 1 . . . A 301 LYS C . 17838 1 416 . 1 1 32 32 LYS CA C 13 56.9 0 . 1 . . . A 301 LYS CA . 17838 1 417 . 1 1 32 32 LYS CB C 13 32.99 0 . 1 . . . A 301 LYS CB . 17838 1 418 . 1 1 32 32 LYS CG C 13 25.6 0 . 1 . . . A 301 LYS CG . 17838 1 419 . 1 1 32 32 LYS CD C 13 29.33 0 . 1 . . . A 301 LYS CD . 17838 1 420 . 1 1 32 32 LYS CE C 13 43.18 0 . 1 . . . A 301 LYS CE . 17838 1 421 . 1 1 32 32 LYS N N 15 124.55 0 . 1 . . . A 301 LYS N . 17838 1 422 . 1 1 33 33 MET H H 1 7.97 0 . 1 . . . A 302 MET H . 17838 1 423 . 1 1 33 33 MET HA H 1 4.72 0 . 1 . . . A 302 MET HA . 17838 1 424 . 1 1 33 33 MET HB2 H 1 2.6 0 . 2 . . . A 302 MET HB2 . 17838 1 425 . 1 1 33 33 MET HB3 H 1 1.63 0 . 2 . . . A 302 MET HB3 . 17838 1 426 . 1 1 33 33 MET HG2 H 1 2.37 0 . 2 . . . A 302 MET HG2 . 17838 1 427 . 1 1 33 33 MET HG3 H 1 2.19 0 . 2 . . . A 302 MET HG3 . 17838 1 428 . 1 1 33 33 MET HE1 H 1 1.86 0 . . . . . A 302 MET HE1 . 17838 1 429 . 1 1 33 33 MET HE2 H 1 1.86 0 . . . . . A 302 MET HE2 . 17838 1 430 . 1 1 33 33 MET HE3 H 1 1.86 0 . . . . . A 302 MET HE3 . 17838 1 431 . 1 1 33 33 MET C C 13 176.51 0 . 1 . . . A 302 MET C . 17838 1 432 . 1 1 33 33 MET CA C 13 53.86 0 . 1 . . . A 302 MET CA . 17838 1 433 . 1 1 33 33 MET CB C 13 32.59 0 . 1 . . . A 302 MET CB . 17838 1 434 . 1 1 33 33 MET CG C 13 33.02 0 . 1 . . . A 302 MET CG . 17838 1 435 . 1 1 33 33 MET CE C 13 16.44 0 . 1 . . . A 302 MET CE . 17838 1 436 . 1 1 33 33 MET N N 15 122.79 0 . 1 . . . A 302 MET N . 17838 1 437 . 1 1 34 34 ASP H H 1 8.08 0 . 1 . . . A 303 ASP H . 17838 1 438 . 1 1 34 34 ASP HA H 1 5.03 0 . 1 . . . A 303 ASP HA . 17838 1 439 . 1 1 34 34 ASP HB2 H 1 2.44 0 . 2 . . . A 303 ASP HB2 . 17838 1 440 . 1 1 34 34 ASP HB3 H 1 2.63 0 . 2 . . . A 303 ASP HB3 . 17838 1 441 . 1 1 34 34 ASP CA C 13 52.81 0 . 1 . . . A 303 ASP CA . 17838 1 442 . 1 1 34 34 ASP CB C 13 41.95 0 . 1 . . . A 303 ASP CB . 17838 1 443 . 1 1 34 34 ASP N N 15 124.63 0 . 1 . . . A 303 ASP N . 17838 1 444 . 1 1 35 35 VAL H H 1 8.76 0 . 1 . . . A 304 VAL H . 17838 1 445 . 1 1 35 35 VAL HA H 1 3.69 0 . 1 . . . A 304 VAL HA . 17838 1 446 . 1 1 35 35 VAL HB H 1 1.93 0 . 1 . . . A 304 VAL HB . 17838 1 447 . 1 1 35 35 VAL HG11 H 1 1.04 0 . 2 . . . A 304 VAL HG11 . 17838 1 448 . 1 1 35 35 VAL HG12 H 1 1.04 0 . 2 . . . A 304 VAL HG12 . 17838 1 449 . 1 1 35 35 VAL HG13 H 1 1.04 0 . 2 . . . A 304 VAL HG13 . 17838 1 450 . 1 1 35 35 VAL HG21 H 1 0.93 0 . 2 . . . A 304 VAL HG21 . 17838 1 451 . 1 1 35 35 VAL HG22 H 1 0.93 0 . 2 . . . A 304 VAL HG22 . 17838 1 452 . 1 1 35 35 VAL HG23 H 1 0.93 0 . 2 . . . A 304 VAL HG23 . 17838 1 453 . 1 1 35 35 VAL C C 13 176.82 0 . 1 . . . A 304 VAL C . 17838 1 454 . 1 1 35 35 VAL CA C 13 64.75 0 . 1 . . . A 304 VAL CA . 17838 1 455 . 1 1 35 35 VAL CB C 13 31.12 0 . 1 . . . A 304 VAL CB . 17838 1 456 . 1 1 35 35 VAL CG2 C 13 21.31 0 . 2 . . . A 304 VAL CG2 . 17838 1 457 . 1 1 35 35 VAL N N 15 125.91 0 . 1 . . . A 304 VAL N . 17838 1 458 . 1 1 36 36 GLY H H 1 8.83 0 . 1 . . . A 305 GLY H . 17838 1 459 . 1 1 36 36 GLY HA2 H 1 4.01 0 . 2 . . . A 305 GLY HA2 . 17838 1 460 . 1 1 36 36 GLY HA3 H 1 3.9 0 . . . . . A 305 GLY HA3 . 17838 1 461 . 1 1 36 36 GLY C C 13 174.16 0 . 1 . . . A 305 GLY C . 17838 1 462 . 1 1 36 36 GLY CA C 13 45.74 0 . 1 . . . A 305 GLY CA . 17838 1 463 . 1 1 36 36 GLY N N 15 115.56 0 . 1 . . . A 305 GLY N . 17838 1 464 . 1 1 37 37 GLY H H 1 7.69 0 . 1 . . . A 306 GLY H . 17838 1 465 . 1 1 37 37 GLY HA2 H 1 3.56 0 . 2 . . . A 306 GLY HA2 . 17838 1 466 . 1 1 37 37 GLY HA3 H 1 4.26 0 . . . . . A 306 GLY HA3 . 17838 1 467 . 1 1 37 37 GLY C C 13 173.03 0 . 1 . . . A 306 GLY C . 17838 1 468 . 1 1 37 37 GLY CA C 13 45.04 0 . 1 . . . A 306 GLY CA . 17838 1 469 . 1 1 37 37 GLY N N 15 109.04 0 . 1 . . . A 306 GLY N . 17838 1 470 . 1 1 38 38 LEU H H 1 8.41 0 . 1 . . . A 307 LEU H . 17838 1 471 . 1 1 38 38 LEU HA H 1 4.58 0 . 1 . . . A 307 LEU HA . 17838 1 472 . 1 1 38 38 LEU HB2 H 1 1.15 0 . 2 . . . A 307 LEU HB2 . 17838 1 473 . 1 1 38 38 LEU HB3 H 1 1.54 0 . 2 . . . A 307 LEU HB3 . 17838 1 474 . 1 1 38 38 LEU HG H 1 1.54 0 . 1 . . . A 307 LEU HG . 17838 1 475 . 1 1 38 38 LEU HD11 H 1 0.77 0 . 2 . . . A 307 LEU HD11 . 17838 1 476 . 1 1 38 38 LEU HD12 H 1 0.77 0 . 2 . . . A 307 LEU HD12 . 17838 1 477 . 1 1 38 38 LEU HD13 H 1 0.77 0 . 2 . . . A 307 LEU HD13 . 17838 1 478 . 1 1 38 38 LEU HD21 H 1 0.91 0 . 2 . . . A 307 LEU HD21 . 17838 1 479 . 1 1 38 38 LEU HD22 H 1 0.91 0 . 2 . . . A 307 LEU HD22 . 17838 1 480 . 1 1 38 38 LEU HD23 H 1 0.91 0 . 2 . . . A 307 LEU HD23 . 17838 1 481 . 1 1 38 38 LEU CA C 13 53.47 0 . 1 . . . A 307 LEU CA . 17838 1 482 . 1 1 38 38 LEU CB C 13 42.06 0 . 1 . . . A 307 LEU CB . 17838 1 483 . 1 1 38 38 LEU CG C 13 26.15 0 . 1 . . . A 307 LEU CG . 17838 1 484 . 1 1 38 38 LEU N N 15 124.61 0 . 1 . . . A 307 LEU N . 17838 1 485 . 1 1 39 39 SER H H 1 7.08 0 . 1 . . . A 308 SER H . 17838 1 486 . 1 1 39 39 SER HA H 1 4.49 0 . 1 . . . A 308 SER HA . 17838 1 487 . 1 1 39 39 SER HB2 H 1 3.63 0 . 2 . . . A 308 SER HB2 . 17838 1 488 . 1 1 39 39 SER HB3 H 1 3.63 0 . 2 . . . A 308 SER HB3 . 17838 1 489 . 1 1 39 39 SER CA C 13 57.25 0 . 1 . . . A 308 SER CA . 17838 1 490 . 1 1 39 39 SER CB C 13 68.29 0 . 1 . . . A 308 SER CB . 17838 1 491 . 1 1 39 39 SER N N 15 115.27 0 . 1 . . . A 308 SER N . 17838 1 492 . 1 1 40 40 ASP H H 1 9.27 0 . 1 . . . A 309 ASP H . 17838 1 493 . 1 1 40 40 ASP HA H 1 5.88 0 . 1 . . . A 309 ASP HA . 17838 1 494 . 1 1 40 40 ASP HB2 H 1 3.6 0 . 2 . . . A 309 ASP HB2 . 17838 1 495 . 1 1 40 40 ASP HB3 H 1 2.51 0 . 2 . . . A 309 ASP HB3 . 17838 1 496 . 1 1 40 40 ASP CA C 13 52 0 . 1 . . . A 309 ASP CA . 17838 1 497 . 1 1 40 40 ASP CB C 13 42.35 0 . 1 . . . A 309 ASP CB . 17838 1 498 . 1 1 40 40 ASP N N 15 121.28 0 . 1 . . . A 309 ASP N . 17838 1 499 . 1 1 41 41 PRO HA H 1 5.68 0 . 1 . . . A 310 PRO HA . 17838 1 500 . 1 1 41 41 PRO HB2 H 1 1.6 0 . 2 . . . A 310 PRO HB2 . 17838 1 501 . 1 1 41 41 PRO HB3 H 1 1.81 0 . 2 . . . A 310 PRO HB3 . 17838 1 502 . 1 1 41 41 PRO HG2 H 1 1.9 0 . 2 . . . A 310 PRO HG2 . 17838 1 503 . 1 1 41 41 PRO HG3 H 1 1.67 0 . 2 . . . A 310 PRO HG3 . 17838 1 504 . 1 1 41 41 PRO HD3 H 1 3.42 0 . 2 . . . A 310 PRO HD3 . 17838 1 505 . 1 1 41 41 PRO C C 13 179.05 0 . 1 . . . A 310 PRO C . 17838 1 506 . 1 1 41 41 PRO CA C 13 62.97 0 . 1 . . . A 310 PRO CA . 17838 1 507 . 1 1 41 41 PRO CB C 13 32.94 0 . 1 . . . A 310 PRO CB . 17838 1 508 . 1 1 41 41 PRO CG C 13 28.59 0 . 1 . . . A 310 PRO CG . 17838 1 509 . 1 1 42 42 TYR H H 1 9.13 0 . 1 . . . A 311 TYR H . 17838 1 510 . 1 1 42 42 TYR HA H 1 4.74 0 . 1 . . . A 311 TYR HA . 17838 1 511 . 1 1 42 42 TYR HB2 H 1 2.58 0 . 2 . . . A 311 TYR HB2 . 17838 1 512 . 1 1 42 42 TYR HB3 H 1 2.93 0 . 2 . . . A 311 TYR HB3 . 17838 1 513 . 1 1 42 42 TYR HD2 H 1 6.84 0 . 3 . . . A 311 TYR HD2 . 17838 1 514 . 1 1 42 42 TYR C C 13 170.78 0 . 1 . . . A 311 TYR C . 17838 1 515 . 1 1 42 42 TYR CA C 13 55.64 0 . 1 . . . A 311 TYR CA . 17838 1 516 . 1 1 42 42 TYR CB C 13 41.95 0 . 1 . . . A 311 TYR CB . 17838 1 517 . 1 1 42 42 TYR N N 15 122.86 0 . 1 . . . A 311 TYR N . 17838 1 518 . 1 1 43 43 VAL H H 1 8.57 0 . 1 . . . A 312 VAL H . 17838 1 519 . 1 1 43 43 VAL HA H 1 4.84 0 . 1 . . . A 312 VAL HA . 17838 1 520 . 1 1 43 43 VAL HB H 1 1.51 0 . 1 . . . A 312 VAL HB . 17838 1 521 . 1 1 43 43 VAL HG11 H 1 0.41 0 . 2 . . . A 312 VAL HG11 . 17838 1 522 . 1 1 43 43 VAL HG12 H 1 0.41 0 . 2 . . . A 312 VAL HG12 . 17838 1 523 . 1 1 43 43 VAL HG13 H 1 0.41 0 . 2 . . . A 312 VAL HG13 . 17838 1 524 . 1 1 43 43 VAL HG21 H 1 0.35 0 . 2 . . . A 312 VAL HG21 . 17838 1 525 . 1 1 43 43 VAL HG22 H 1 0.35 0 . 2 . . . A 312 VAL HG22 . 17838 1 526 . 1 1 43 43 VAL HG23 H 1 0.35 0 . 2 . . . A 312 VAL HG23 . 17838 1 527 . 1 1 43 43 VAL C C 13 174.43 0 . 1 . . . A 312 VAL C . 17838 1 528 . 1 1 43 43 VAL CA C 13 60.11 0 . 1 . . . A 312 VAL CA . 17838 1 529 . 1 1 43 43 VAL CB C 13 33.43 0 . 1 . . . A 312 VAL CB . 17838 1 530 . 1 1 43 43 VAL CG1 C 13 22.25 0 . 2 . . . A 312 VAL CG1 . 17838 1 531 . 1 1 43 43 VAL CG2 C 13 21.34 0 . 2 . . . A 312 VAL CG2 . 17838 1 532 . 1 1 43 43 VAL N N 15 120.46 0 . 1 . . . A 312 VAL N . 17838 1 533 . 1 1 44 44 LYS H H 1 9.05 0 . 1 . . . A 313 LYS H . 17838 1 534 . 1 1 44 44 LYS HA H 1 4.84 0 . 1 . . . A 313 LYS HA . 17838 1 535 . 1 1 44 44 LYS HB2 H 1 1.37 0 . 2 . . . A 313 LYS HB2 . 17838 1 536 . 1 1 44 44 LYS HB3 H 1 1.27 0 . 2 . . . A 313 LYS HB3 . 17838 1 537 . 1 1 44 44 LYS HG2 H 1 1.31 0 . 2 . . . A 313 LYS HG2 . 17838 1 538 . 1 1 44 44 LYS HG3 H 1 1.31 0 . 2 . . . A 313 LYS HG3 . 17838 1 539 . 1 1 44 44 LYS HD2 H 1 1.73 0 . 2 . . . A 313 LYS HD2 . 17838 1 540 . 1 1 44 44 LYS HD3 H 1 1.73 0 . 2 . . . A 313 LYS HD3 . 17838 1 541 . 1 1 44 44 LYS HE2 H 1 2.97 0 . 2 . . . A 313 LYS HE2 . 17838 1 542 . 1 1 44 44 LYS HE3 H 1 2.97 0 . 2 . . . A 313 LYS HE3 . 17838 1 543 . 1 1 44 44 LYS C C 13 174.3 0 . 1 . . . A 313 LYS C . 17838 1 544 . 1 1 44 44 LYS CA C 13 54.68 0 . 1 . . . A 313 LYS CA . 17838 1 545 . 1 1 44 44 LYS CB C 13 36.14 0 . 1 . . . A 313 LYS CB . 17838 1 546 . 1 1 44 44 LYS CG C 13 24.55 0 . 1 . . . A 313 LYS CG . 17838 1 547 . 1 1 44 44 LYS CD C 13 29.72 0 . 1 . . . A 313 LYS CD . 17838 1 548 . 1 1 44 44 LYS CE C 13 41.97 0 . 1 . . . A 313 LYS CE . 17838 1 549 . 1 1 44 44 LYS N N 15 125.5 0 . 1 . . . A 313 LYS N . 17838 1 550 . 1 1 45 45 ILE H H 1 8.77 0 . 1 . . . A 314 ILE H . 17838 1 551 . 1 1 45 45 ILE HA H 1 4.78 0 . 1 . . . A 314 ILE HA . 17838 1 552 . 1 1 45 45 ILE HB H 1 1.13 0 . 1 . . . A 314 ILE HB . 17838 1 553 . 1 1 45 45 ILE HG12 H 1 0.92 0 . 2 . . . A 314 ILE HG12 . 17838 1 554 . 1 1 45 45 ILE HG13 H 1 0.38 0 . 2 . . . A 314 ILE HG13 . 17838 1 555 . 1 1 45 45 ILE HG21 H 1 0.41 0 . 1 . . . A 314 ILE HG21 . 17838 1 556 . 1 1 45 45 ILE HG22 H 1 0.41 0 . 1 . . . A 314 ILE HG22 . 17838 1 557 . 1 1 45 45 ILE HG23 H 1 0.41 0 . 1 . . . A 314 ILE HG23 . 17838 1 558 . 1 1 45 45 ILE HD11 H 1 0.06 0 . 1 . . . A 314 ILE HD11 . 17838 1 559 . 1 1 45 45 ILE HD12 H 1 0.06 0 . 1 . . . A 314 ILE HD12 . 17838 1 560 . 1 1 45 45 ILE HD13 H 1 0.06 0 . 1 . . . A 314 ILE HD13 . 17838 1 561 . 1 1 45 45 ILE C C 13 174.7 0 . 1 . . . A 314 ILE C . 17838 1 562 . 1 1 45 45 ILE CA C 13 60.05 0 . 1 . . . A 314 ILE CA . 17838 1 563 . 1 1 45 45 ILE CB C 13 41.8 0 . 1 . . . A 314 ILE CB . 17838 1 564 . 1 1 45 45 ILE CG1 C 13 28.68 0 . 1 . . . A 314 ILE CG1 . 17838 1 565 . 1 1 45 45 ILE CG2 C 13 19.85 0 . 1 . . . A 314 ILE CG2 . 17838 1 566 . 1 1 45 45 ILE CD1 C 13 15.91 0 . . . . . A 314 ILE CD1 . 17838 1 567 . 1 1 45 45 ILE N N 15 123.76 0 . 1 . . . A 314 ILE N . 17838 1 568 . 1 1 46 46 HIS H H 1 9.07 0 . 1 . . . A 315 HIS H . 17838 1 569 . 1 1 46 46 HIS HA H 1 5.34 0 . 1 . . . A 315 HIS HA . 17838 1 570 . 1 1 46 46 HIS HB2 H 1 2.66 0 . 2 . . . A 315 HIS HB2 . 17838 1 571 . 1 1 46 46 HIS HB3 H 1 2.66 0 . 2 . . . A 315 HIS HB3 . 17838 1 572 . 1 1 46 46 HIS HD2 H 1 6.93 0 . 1 . . . A 315 HIS HD2 . 17838 1 573 . 1 1 46 46 HIS HE1 H 1 7.5 0 . 1 . . . A 315 HIS HE1 . 17838 1 574 . 1 1 46 46 HIS C C 13 173.54 0 . 1 . . . A 315 HIS C . 17838 1 575 . 1 1 46 46 HIS CA C 13 54.59 0 . 1 . . . A 315 HIS CA . 17838 1 576 . 1 1 46 46 HIS CB C 13 34.28 0 . 1 . . . A 315 HIS CB . 17838 1 577 . 1 1 46 46 HIS N N 15 122.82 0 . 1 . . . A 315 HIS N . 17838 1 578 . 1 1 47 47 LEU H H 1 8.35 0 . 1 . . . A 316 LEU H . 17838 1 579 . 1 1 47 47 LEU HA H 1 4.76 0 . 1 . . . A 316 LEU HA . 17838 1 580 . 1 1 47 47 LEU HB2 H 1 0.36 0 . 2 . . . A 316 LEU HB2 . 17838 1 581 . 1 1 47 47 LEU HB3 H 1 1.5 0 . 2 . . . A 316 LEU HB3 . 17838 1 582 . 1 1 47 47 LEU HG H 1 1.14 0 . 1 . . . A 316 LEU HG . 17838 1 583 . 1 1 47 47 LEU HD11 H 1 0.35 0 . 2 . . . A 316 LEU HD11 . 17838 1 584 . 1 1 47 47 LEU HD12 H 1 0.35 0 . 2 . . . A 316 LEU HD12 . 17838 1 585 . 1 1 47 47 LEU HD13 H 1 0.35 0 . 2 . . . A 316 LEU HD13 . 17838 1 586 . 1 1 47 47 LEU HD21 H 1 0.56 0 . 2 . . . A 316 LEU HD21 . 17838 1 587 . 1 1 47 47 LEU HD22 H 1 0.56 0 . 2 . . . A 316 LEU HD22 . 17838 1 588 . 1 1 47 47 LEU HD23 H 1 0.56 0 . 2 . . . A 316 LEU HD23 . 17838 1 589 . 1 1 47 47 LEU C C 13 174.72 0 . 1 . . . A 316 LEU C . 17838 1 590 . 1 1 47 47 LEU CA C 13 53.48 0 . 1 . . . A 316 LEU CA . 17838 1 591 . 1 1 47 47 LEU CB C 13 44.01 0 . 1 . . . A 316 LEU CB . 17838 1 592 . 1 1 47 47 LEU CG C 13 27.41 0 . 1 . . . A 316 LEU CG . 17838 1 593 . 1 1 47 47 LEU CD1 C 13 23.53 0 . 2 . . . A 316 LEU CD1 . 17838 1 594 . 1 1 47 47 LEU CD2 C 13 26.23 0 . 2 . . . A 316 LEU CD2 . 17838 1 595 . 1 1 47 47 LEU N N 15 124.78 0 . 1 . . . A 316 LEU N . 17838 1 596 . 1 1 48 48 MET H H 1 9.24 0 . 1 . . . A 317 MET H . 17838 1 597 . 1 1 48 48 MET HA H 1 5.36 0 . 1 . . . A 317 MET HA . 17838 1 598 . 1 1 48 48 MET HB2 H 1 1.8 0 . 2 . . . A 317 MET HB2 . 17838 1 599 . 1 1 48 48 MET HB3 H 1 1.8 0 . 2 . . . A 317 MET HB3 . 17838 1 600 . 1 1 48 48 MET HG2 H 1 2.24 0 . 2 . . . A 317 MET HG2 . 17838 1 601 . 1 1 48 48 MET HG3 H 1 2.07 0 . 2 . . . A 317 MET HG3 . 17838 1 602 . 1 1 48 48 MET C C 13 174.72 0 . 1 . . . A 317 MET C . 17838 1 603 . 1 1 48 48 MET CA C 13 53.49 0 . 1 . . . A 317 MET CA . 17838 1 604 . 1 1 48 48 MET CB C 13 35.8 0 . 1 . . . A 317 MET CB . 17838 1 605 . 1 1 48 48 MET CG C 13 32.08 0 . 1 . . . A 317 MET CG . 17838 1 606 . 1 1 48 48 MET CE C 13 20.03 0 . 1 . . . A 317 MET CE . 17838 1 607 . 1 1 48 48 MET N N 15 125.55 0 . 1 . . . A 317 MET N . 17838 1 608 . 1 1 49 49 GLN H H 1 8.51 0 . 1 . . . A 318 GLN H . 17838 1 609 . 1 1 49 49 GLN HA H 1 4.35 0 . 1 . . . A 318 GLN HA . 17838 1 610 . 1 1 49 49 GLN HB2 H 1 1.85 0 . 2 . . . A 318 GLN HB2 . 17838 1 611 . 1 1 49 49 GLN HB3 H 1 1.85 0 . 2 . . . A 318 GLN HB3 . 17838 1 612 . 1 1 49 49 GLN HG2 H 1 2.22 0 . 2 . . . A 318 GLN HG2 . 17838 1 613 . 1 1 49 49 GLN HG3 H 1 2.13 0 . 2 . . . A 318 GLN HG3 . 17838 1 614 . 1 1 49 49 GLN HE22 H 1 6.83 0 . 2 . . . A 318 GLN HE22 . 17838 1 615 . 1 1 49 49 GLN C C 13 175.85 0 . 1 . . . A 318 GLN C . 17838 1 616 . 1 1 49 49 GLN CA C 13 56.33 0 . 1 . . . A 318 GLN CA . 17838 1 617 . 1 1 49 49 GLN CB C 13 32.24 0 . 1 . . . A 318 GLN CB . 17838 1 618 . 1 1 49 49 GLN CG C 13 33.36 0 . 1 . . . A 318 GLN CG . 17838 1 619 . 1 1 49 49 GLN N N 15 118.13 0 . 1 . . . A 318 GLN N . 17838 1 620 . 1 1 50 50 ASN H H 1 9.43 0 . 1 . . . A 319 ASN H . 17838 1 621 . 1 1 50 50 ASN HA H 1 4.25 0 . 1 . . . A 319 ASN HA . 17838 1 622 . 1 1 50 50 ASN HB2 H 1 2.51 0 . 2 . . . A 319 ASN HB2 . 17838 1 623 . 1 1 50 50 ASN HB3 H 1 3.01 0 . 2 . . . A 319 ASN HB3 . 17838 1 624 . 1 1 50 50 ASN HD22 H 1 6.84 0 . 2 . . . A 319 ASN HD22 . 17838 1 625 . 1 1 50 50 ASN C C 13 174.65 0 . 1 . . . A 319 ASN C . 17838 1 626 . 1 1 50 50 ASN CA C 13 54.18 0 . 1 . . . A 319 ASN CA . 17838 1 627 . 1 1 50 50 ASN CB C 13 37.64 0 . 1 . . . A 319 ASN CB . 17838 1 628 . 1 1 50 50 ASN N N 15 127.59 0 . 1 . . . A 319 ASN N . 17838 1 629 . 1 1 51 51 GLY H H 1 8.95 0 . 1 . . . A 320 GLY H . 17838 1 630 . 1 1 51 51 GLY HA2 H 1 3.92 0 . 2 . . . A 320 GLY HA2 . 17838 1 631 . 1 1 51 51 GLY HA3 H 1 3.5 0 . . . . . A 320 GLY HA3 . 17838 1 632 . 1 1 51 51 GLY C C 13 173.16 0 . 1 . . . A 320 GLY C . 17838 1 633 . 1 1 51 51 GLY CA C 13 45.48 0 . 1 . . . A 320 GLY CA . 17838 1 634 . 1 1 51 51 GLY N N 15 104.03 0 . 1 . . . A 320 GLY N . 17838 1 635 . 1 1 52 52 LYS H H 1 7.65 0 . 1 . . . A 321 LYS H . 17838 1 636 . 1 1 52 52 LYS HA H 1 4.4 0 . 1 . . . A 321 LYS HA . 17838 1 637 . 1 1 52 52 LYS HB2 H 1 1.68 0 . 2 . . . A 321 LYS HB2 . 17838 1 638 . 1 1 52 52 LYS HB3 H 1 1.68 0 . 2 . . . A 321 LYS HB3 . 17838 1 639 . 1 1 52 52 LYS HG2 H 1 1.39 0 . 2 . . . A 321 LYS HG2 . 17838 1 640 . 1 1 52 52 LYS HG3 H 1 1.32 0 . 2 . . . A 321 LYS HG3 . 17838 1 641 . 1 1 52 52 LYS HD2 H 1 1.64 0 . 2 . . . A 321 LYS HD2 . 17838 1 642 . 1 1 52 52 LYS HD3 H 1 1.64 0 . 2 . . . A 321 LYS HD3 . 17838 1 643 . 1 1 52 52 LYS HE2 H 1 2.97 0 . 2 . . . A 321 LYS HE2 . 17838 1 644 . 1 1 52 52 LYS HE3 H 1 2.97 0 . 2 . . . A 321 LYS HE3 . 17838 1 645 . 1 1 52 52 LYS C C 13 175.37 0 . 1 . . . A 321 LYS C . 17838 1 646 . 1 1 52 52 LYS CA C 13 54.34 0 . 1 . . . A 321 LYS CA . 17838 1 647 . 1 1 52 52 LYS CB C 13 34.23 0 . 1 . . . A 321 LYS CB . 17838 1 648 . 1 1 52 52 LYS CG C 13 24.67 0 . 1 . . . A 321 LYS CG . 17838 1 649 . 1 1 52 52 LYS CD C 13 28.71 0 . 1 . . . A 321 LYS CD . 17838 1 650 . 1 1 52 52 LYS CE C 13 42.14 0 . 1 . . . A 321 LYS CE . 17838 1 651 . 1 1 52 52 LYS N N 15 120.22 0 . 1 . . . A 321 LYS N . 17838 1 652 . 1 1 53 53 ARG H H 1 8.7 0 . 1 . . . A 322 ARG H . 17838 1 653 . 1 1 53 53 ARG HA H 1 4.41 0 . 1 . . . A 322 ARG HA . 17838 1 654 . 1 1 53 53 ARG HB2 H 1 1.4 0 . 2 . . . A 322 ARG HB2 . 17838 1 655 . 1 1 53 53 ARG HB3 H 1 1.62 0 . 2 . . . A 322 ARG HB3 . 17838 1 656 . 1 1 53 53 ARG HG3 H 1 1.24 0 . 2 . . . A 322 ARG HG3 . 17838 1 657 . 1 1 53 53 ARG HD2 H 1 2.74 0 . 2 . . . A 322 ARG HD2 . 17838 1 658 . 1 1 53 53 ARG HD3 H 1 2.72 0 . 2 . . . A 322 ARG HD3 . 17838 1 659 . 1 1 53 53 ARG C C 13 175.65 0 . 1 . . . A 322 ARG C . 17838 1 660 . 1 1 53 53 ARG CA C 13 56.62 0 . 1 . . . A 322 ARG CA . 17838 1 661 . 1 1 53 53 ARG CB C 13 29.96 0 . 1 . . . A 322 ARG CB . 17838 1 662 . 1 1 53 53 ARG CG C 13 27.11 0 . 1 . . . A 322 ARG CG . 17838 1 663 . 1 1 53 53 ARG N N 15 123.54 0 . 1 . . . A 322 ARG N . 17838 1 664 . 1 1 54 54 LEU H H 1 9.27 0 . 1 . . . A 323 LEU H . 17838 1 665 . 1 1 54 54 LEU HA H 1 4.35 0 . 1 . . . A 323 LEU HA . 17838 1 666 . 1 1 54 54 LEU HB2 H 1 1.54 0 . 2 . . . A 323 LEU HB2 . 17838 1 667 . 1 1 54 54 LEU HB3 H 1 1.5 0 . 2 . . . A 323 LEU HB3 . 17838 1 668 . 1 1 54 54 LEU HG H 1 1.54 0 . 1 . . . A 323 LEU HG . 17838 1 669 . 1 1 54 54 LEU HD11 H 1 0.75 0 . 2 . . . A 323 LEU HD11 . 17838 1 670 . 1 1 54 54 LEU HD12 H 1 0.75 0 . 2 . . . A 323 LEU HD12 . 17838 1 671 . 1 1 54 54 LEU HD13 H 1 0.75 0 . 2 . . . A 323 LEU HD13 . 17838 1 672 . 1 1 54 54 LEU HD21 H 1 0.72 0 . 2 . . . A 323 LEU HD21 . 17838 1 673 . 1 1 54 54 LEU HD22 H 1 0.72 0 . 2 . . . A 323 LEU HD22 . 17838 1 674 . 1 1 54 54 LEU HD23 H 1 0.72 0 . 2 . . . A 323 LEU HD23 . 17838 1 675 . 1 1 54 54 LEU C C 13 177.38 0 . 1 . . . A 323 LEU C . 17838 1 676 . 1 1 54 54 LEU CA C 13 56.23 0 . 1 . . . A 323 LEU CA . 17838 1 677 . 1 1 54 54 LEU CB C 13 42.95 0 . 1 . . . A 323 LEU CB . 17838 1 678 . 1 1 54 54 LEU CG C 13 27.05 0 . 1 . . . A 323 LEU CG . 17838 1 679 . 1 1 54 54 LEU CD1 C 13 24.98 0 . 2 . . . A 323 LEU CD1 . 17838 1 680 . 1 1 54 54 LEU CD2 C 13 22.41 0 . 2 . . . A 323 LEU CD2 . 17838 1 681 . 1 1 54 54 LEU N N 15 127.22 0 . 1 . . . A 323 LEU N . 17838 1 682 . 1 1 55 55 LYS H H 1 7.41 0 . 1 . . . A 324 LYS H . 17838 1 683 . 1 1 55 55 LYS HA H 1 4.67 0 . 1 . . . A 324 LYS HA . 17838 1 684 . 1 1 55 55 LYS HB2 H 1 1.86 0 . 2 . . . A 324 LYS HB2 . 17838 1 685 . 1 1 55 55 LYS HB3 H 1 1.84 0 . 2 . . . A 324 LYS HB3 . 17838 1 686 . 1 1 55 55 LYS HG2 H 1 1.63 0 . 2 . . . A 324 LYS HG2 . 17838 1 687 . 1 1 55 55 LYS HG3 H 1 1.53 0 . 2 . . . A 324 LYS HG3 . 17838 1 688 . 1 1 55 55 LYS HD2 H 1 1.87 0 . 2 . . . A 324 LYS HD2 . 17838 1 689 . 1 1 55 55 LYS HD3 H 1 2 0 . 2 . . . A 324 LYS HD3 . 17838 1 690 . 1 1 55 55 LYS HE2 H 1 3.06 0 . 2 . . . A 324 LYS HE2 . 17838 1 691 . 1 1 55 55 LYS HE3 H 1 3.06 0 . 2 . . . A 324 LYS HE3 . 17838 1 692 . 1 1 55 55 LYS C C 13 174.48 0 . 1 . . . A 324 LYS C . 17838 1 693 . 1 1 55 55 LYS CA C 13 54.46 0 . 1 . . . A 324 LYS CA . 17838 1 694 . 1 1 55 55 LYS CB C 13 37.58 0 . 1 . . . A 324 LYS CB . 17838 1 695 . 1 1 55 55 LYS CG C 13 25.14 0 . 1 . . . A 324 LYS CG . 17838 1 696 . 1 1 55 55 LYS CD C 13 28.41 0 . 1 . . . A 324 LYS CD . 17838 1 697 . 1 1 55 55 LYS CE C 13 42.29 0 . 1 . . . A 324 LYS CE . 17838 1 698 . 1 1 55 55 LYS N N 15 115.21 0 . 1 . . . A 324 LYS N . 17838 1 699 . 1 1 56 56 LYS H H 1 8.47 0 . 1 . . . A 325 LYS H . 17838 1 700 . 1 1 56 56 LYS HA H 1 5.32 0 . 1 . . . A 325 LYS HA . 17838 1 701 . 1 1 56 56 LYS HB2 H 1 1.56 0 . 2 . . . A 325 LYS HB2 . 17838 1 702 . 1 1 56 56 LYS HB3 H 1 1.56 0 . 2 . . . A 325 LYS HB3 . 17838 1 703 . 1 1 56 56 LYS HG2 H 1 1.01 0 . 2 . . . A 325 LYS HG2 . 17838 1 704 . 1 1 56 56 LYS HG3 H 1 1.01 0 . 2 . . . A 325 LYS HG3 . 17838 1 705 . 1 1 56 56 LYS HD2 H 1 1.54 0 . 2 . . . A 325 LYS HD2 . 17838 1 706 . 1 1 56 56 LYS HD3 H 1 1.54 0 . 2 . . . A 325 LYS HD3 . 17838 1 707 . 1 1 56 56 LYS HE2 H 1 2.87 0 . 2 . . . A 325 LYS HE2 . 17838 1 708 . 1 1 56 56 LYS HE3 H 1 2.87 0 . 2 . . . A 325 LYS HE3 . 17838 1 709 . 1 1 56 56 LYS C C 13 174.7 0 . 1 . . . A 325 LYS C . 17838 1 710 . 1 1 56 56 LYS CA C 13 54.97 0 . 1 . . . A 325 LYS CA . 17838 1 711 . 1 1 56 56 LYS CB C 13 35.73 0 . 1 . . . A 325 LYS CB . 17838 1 712 . 1 1 56 56 LYS CG C 13 24.02 0 . 1 . . . A 325 LYS CG . 17838 1 713 . 1 1 56 56 LYS CD C 13 28.86 0 . 1 . . . A 325 LYS CD . 17838 1 714 . 1 1 56 56 LYS CE C 13 42.17 0 . 1 . . . A 325 LYS CE . 17838 1 715 . 1 1 56 56 LYS N N 15 122.42 0 . 1 . . . A 325 LYS N . 17838 1 716 . 1 1 57 57 LYS H H 1 8.85 0 . 1 . . . A 326 LYS H . 17838 1 717 . 1 1 57 57 LYS HA H 1 4.63 0 . 1 . . . A 326 LYS HA . 17838 1 718 . 1 1 57 57 LYS HB2 H 1 1.44 0 . 2 . . . A 326 LYS HB2 . 17838 1 719 . 1 1 57 57 LYS HB3 H 1 0.96 0 . 2 . . . A 326 LYS HB3 . 17838 1 720 . 1 1 57 57 LYS HG2 H 1 1.11 0 . 2 . . . A 326 LYS HG2 . 17838 1 721 . 1 1 57 57 LYS HG3 H 1 1.28 0 . 2 . . . A 326 LYS HG3 . 17838 1 722 . 1 1 57 57 LYS HD2 H 1 2.1 0 . 2 . . . A 326 LYS HD2 . 17838 1 723 . 1 1 57 57 LYS HD3 H 1 1.64 0 . 2 . . . A 326 LYS HD3 . 17838 1 724 . 1 1 57 57 LYS HE3 H 1 2.67 0 . 2 . . . A 326 LYS HE3 . 17838 1 725 . 1 1 57 57 LYS C C 13 174.33 0 . 1 . . . A 326 LYS C . 17838 1 726 . 1 1 57 57 LYS CA C 13 53.56 0 . 1 . . . A 326 LYS CA . 17838 1 727 . 1 1 57 57 LYS CB C 13 37.96 0 . 1 . . . A 326 LYS CB . 17838 1 728 . 1 1 57 57 LYS N N 15 122.74 0 . 1 . . . A 326 LYS N . 17838 1 729 . 1 1 58 58 LYS H H 1 8.31 0 . 1 . . . A 327 LYS H . 17838 1 730 . 1 1 58 58 LYS HA H 1 5.38 0 . 1 . . . A 327 LYS HA . 17838 1 731 . 1 1 58 58 LYS HB2 H 1 1.71 0 . 2 . . . A 327 LYS HB2 . 17838 1 732 . 1 1 58 58 LYS HB3 H 1 1.76 0 . 2 . . . A 327 LYS HB3 . 17838 1 733 . 1 1 58 58 LYS HG2 H 1 1.45 0 . 2 . . . A 327 LYS HG2 . 17838 1 734 . 1 1 58 58 LYS HG3 H 1 1.59 0 . 2 . . . A 327 LYS HG3 . 17838 1 735 . 1 1 58 58 LYS HD2 H 1 1.73 0 . 2 . . . A 327 LYS HD2 . 17838 1 736 . 1 1 58 58 LYS HD3 H 1 1.73 0 . 2 . . . A 327 LYS HD3 . 17838 1 737 . 1 1 58 58 LYS HE2 H 1 2.97 0 . 2 . . . A 327 LYS HE2 . 17838 1 738 . 1 1 58 58 LYS HE3 H 1 2.97 0 . 2 . . . A 327 LYS HE3 . 17838 1 739 . 1 1 58 58 LYS C C 13 174.81 0 . 1 . . . A 327 LYS C . 17838 1 740 . 1 1 58 58 LYS CA C 13 55.12 0 . 1 . . . A 327 LYS CA . 17838 1 741 . 1 1 58 58 LYS CB C 13 36.9 0 . 1 . . . A 327 LYS CB . 17838 1 742 . 1 1 58 58 LYS CG C 13 23.61 0 . 1 . . . A 327 LYS CG . 17838 1 743 . 1 1 58 58 LYS CD C 13 29.72 0 . 1 . . . A 327 LYS CD . 17838 1 744 . 1 1 58 58 LYS CE C 13 41.97 0 . 1 . . . A 327 LYS CE . 17838 1 745 . 1 1 58 58 LYS N N 15 118.07 0 . 1 . . . A 327 LYS N . 17838 1 746 . 1 1 59 59 THR H H 1 8.65 0 . 1 . . . A 328 THR H . 17838 1 747 . 1 1 59 59 THR HA H 1 4.85 0 . 1 . . . A 328 THR HA . 17838 1 748 . 1 1 59 59 THR HB H 1 4.82 0 . 1 . . . A 328 THR HB . 17838 1 749 . 1 1 59 59 THR HG21 H 1 0.83 0 . 1 . . . A 328 THR HG21 . 17838 1 750 . 1 1 59 59 THR HG22 H 1 0.83 0 . 1 . . . A 328 THR HG22 . 17838 1 751 . 1 1 59 59 THR HG23 H 1 0.83 0 . 1 . . . A 328 THR HG23 . 17838 1 752 . 1 1 59 59 THR C C 13 175.55 0 . 1 . . . A 328 THR C . 17838 1 753 . 1 1 59 59 THR CA C 13 60.95 0 . 1 . . . A 328 THR CA . 17838 1 754 . 1 1 59 59 THR CB C 13 73.29 0 . 1 . . . A 328 THR CB . 17838 1 755 . 1 1 59 59 THR CG2 C 13 20.4 0 . . . . . A 328 THR CG2 . 17838 1 756 . 1 1 59 59 THR N N 15 110.59 0 . 1 . . . A 328 THR N . 17838 1 757 . 1 1 60 60 THR H H 1 9.42 0 . 1 . . . A 329 THR H . 17838 1 758 . 1 1 60 60 THR HA H 1 4.12 0 . 1 . . . A 329 THR HA . 17838 1 759 . 1 1 60 60 THR HB H 1 4.24 0 . 1 . . . A 329 THR HB . 17838 1 760 . 1 1 60 60 THR HG21 H 1 1.34 0 . 1 . . . A 329 THR HG21 . 17838 1 761 . 1 1 60 60 THR HG22 H 1 1.34 0 . 1 . . . A 329 THR HG22 . 17838 1 762 . 1 1 60 60 THR HG23 H 1 1.34 0 . 1 . . . A 329 THR HG23 . 17838 1 763 . 1 1 60 60 THR C C 13 173.57 0 . 1 . . . A 329 THR C . 17838 1 764 . 1 1 60 60 THR CA C 13 62.71 0 . 1 . . . A 329 THR CA . 17838 1 765 . 1 1 60 60 THR CB C 13 70.92 0 . 1 . . . A 329 THR CB . 17838 1 766 . 1 1 60 60 THR CG2 C 13 22.18 0 . . . . . A 329 THR CG2 . 17838 1 767 . 1 1 60 60 THR N N 15 109.52 0 . 1 . . . A 329 THR N . 17838 1 768 . 1 1 61 61 ILE H H 1 8.06 0 . 1 . . . A 330 ILE H . 17838 1 769 . 1 1 61 61 ILE HA H 1 4.23 0 . 1 . . . A 330 ILE HA . 17838 1 770 . 1 1 61 61 ILE HB H 1 1.21 0 . 1 . . . A 330 ILE HB . 17838 1 771 . 1 1 61 61 ILE HG12 H 1 0.46 0 . 2 . . . A 330 ILE HG12 . 17838 1 772 . 1 1 61 61 ILE HG13 H 1 0.3 0 . 2 . . . A 330 ILE HG13 . 17838 1 773 . 1 1 61 61 ILE HG21 H 1 0.42 0 . 1 . . . A 330 ILE HG21 . 17838 1 774 . 1 1 61 61 ILE HG22 H 1 0.42 0 . 1 . . . A 330 ILE HG22 . 17838 1 775 . 1 1 61 61 ILE HG23 H 1 0.42 0 . 1 . . . A 330 ILE HG23 . 17838 1 776 . 1 1 61 61 ILE HD11 H 1 -0.07 0 . 1 . . . A 330 ILE HD11 . 17838 1 777 . 1 1 61 61 ILE HD12 H 1 -0.07 0 . 1 . . . A 330 ILE HD12 . 17838 1 778 . 1 1 61 61 ILE HD13 H 1 -0.07 0 . 1 . . . A 330 ILE HD13 . 17838 1 779 . 1 1 61 61 ILE C C 13 177.05 0 . 1 . . . A 330 ILE C . 17838 1 780 . 1 1 61 61 ILE CA C 13 61.06 0 . 1 . . . A 330 ILE CA . 17838 1 781 . 1 1 61 61 ILE CB C 13 40.2 0 . 1 . . . A 330 ILE CB . 17838 1 782 . 1 1 61 61 ILE CG1 C 13 28.37 0 . 1 . . . A 330 ILE CG1 . 17838 1 783 . 1 1 61 61 ILE CG2 C 13 18.08 0 . 1 . . . A 330 ILE CG2 . 17838 1 784 . 1 1 61 61 ILE CD1 C 13 14.15 0 . . . . . A 330 ILE CD1 . 17838 1 785 . 1 1 61 61 ILE N N 15 119.07 0 . 1 . . . A 330 ILE N . 17838 1 786 . 1 1 62 62 LYS H H 1 7.97 0 . 1 . . . A 331 LYS H . 17838 1 787 . 1 1 62 62 LYS HA H 1 4.62 0 . 1 . . . A 331 LYS HA . 17838 1 788 . 1 1 62 62 LYS HB2 H 1 1.71 0 . 2 . . . A 331 LYS HB2 . 17838 1 789 . 1 1 62 62 LYS HB3 H 1 1.71 0 . 2 . . . A 331 LYS HB3 . 17838 1 790 . 1 1 62 62 LYS HG2 H 1 1.18 0 . 2 . . . A 331 LYS HG2 . 17838 1 791 . 1 1 62 62 LYS HG3 H 1 0.8 0 . 2 . . . A 331 LYS HG3 . 17838 1 792 . 1 1 62 62 LYS HE2 H 1 2.93 0 . 2 . . . A 331 LYS HE2 . 17838 1 793 . 1 1 62 62 LYS HE3 H 1 2.63 0 . 2 . . . A 331 LYS HE3 . 17838 1 794 . 1 1 62 62 LYS C C 13 174.08 0 . 1 . . . A 331 LYS C . 17838 1 795 . 1 1 62 62 LYS CA C 13 52.17 0 . 1 . . . A 331 LYS CA . 17838 1 796 . 1 1 62 62 LYS CB C 13 31.61 0 . 1 . . . A 331 LYS CB . 17838 1 797 . 1 1 62 62 LYS CG C 13 24.81 0 . 1 . . . A 331 LYS CG . 17838 1 798 . 1 1 62 62 LYS CD C 13 27.44 0 . 1 . . . A 331 LYS CD . 17838 1 799 . 1 1 62 62 LYS N N 15 127.44 0 . 1 . . . A 331 LYS N . 17838 1 800 . 1 1 63 63 LYS H H 1 8 0 . 1 . . . A 332 LYS H . 17838 1 801 . 1 1 63 63 LYS HA H 1 4.63 0 . 1 . . . A 332 LYS HA . 17838 1 802 . 1 1 63 63 LYS HB2 H 1 1.62 0 . 2 . . . A 332 LYS HB2 . 17838 1 803 . 1 1 63 63 LYS HB3 H 1 1.62 0 . 2 . . . A 332 LYS HB3 . 17838 1 804 . 1 1 63 63 LYS HG2 H 1 1.21 0 . 2 . . . A 332 LYS HG2 . 17838 1 805 . 1 1 63 63 LYS HG3 H 1 1.53 0 . 2 . . . A 332 LYS HG3 . 17838 1 806 . 1 1 63 63 LYS HD2 H 1 1.67 0 . 2 . . . A 332 LYS HD2 . 17838 1 807 . 1 1 63 63 LYS HD3 H 1 1.67 0 . 2 . . . A 332 LYS HD3 . 17838 1 808 . 1 1 63 63 LYS HE2 H 1 2.85 0 . 2 . . . A 332 LYS HE2 . 17838 1 809 . 1 1 63 63 LYS HE3 H 1 2.85 0 . 2 . . . A 332 LYS HE3 . 17838 1 810 . 1 1 63 63 LYS C C 13 177.27 0 . 1 . . . A 332 LYS C . 17838 1 811 . 1 1 63 63 LYS CA C 13 55.31 0 . 1 . . . A 332 LYS CA . 17838 1 812 . 1 1 63 63 LYS CB C 13 33.55 0 . 1 . . . A 332 LYS CB . 17838 1 813 . 1 1 63 63 LYS CG C 13 25.44 0 . 1 . . . A 332 LYS CG . 17838 1 814 . 1 1 63 63 LYS CD C 13 28.51 0 . 1 . . . A 332 LYS CD . 17838 1 815 . 1 1 63 63 LYS N N 15 118.22 0 . 1 . . . A 332 LYS N . 17838 1 816 . 1 1 64 64 ASN H H 1 9.71 0 . 1 . . . A 333 ASN H . 17838 1 817 . 1 1 64 64 ASN HA H 1 4.25 0 . 1 . . . A 333 ASN HA . 17838 1 818 . 1 1 64 64 ASN HB2 H 1 2.51 0 . 2 . . . A 333 ASN HB2 . 17838 1 819 . 1 1 64 64 ASN HB3 H 1 2.98 0 . 2 . . . A 333 ASN HB3 . 17838 1 820 . 1 1 64 64 ASN HD21 H 1 7.56 0 . 2 . . . A 333 ASN HD21 . 17838 1 821 . 1 1 64 64 ASN C C 13 173.47 0 . 1 . . . A 333 ASN C . 17838 1 822 . 1 1 64 64 ASN CA C 13 54.03 0 . 1 . . . A 333 ASN CA . 17838 1 823 . 1 1 64 64 ASN CB C 13 37.91 0 . 1 . . . A 333 ASN CB . 17838 1 824 . 1 1 64 64 ASN N N 15 122.92 0 . 1 . . . A 333 ASN N . 17838 1 825 . 1 1 65 65 THR H H 1 8.63 0 . 1 . . . A 334 THR H . 17838 1 826 . 1 1 65 65 THR HA H 1 4.6 0 . 1 . . . A 334 THR HA . 17838 1 827 . 1 1 65 65 THR HB H 1 4.1 0 . 1 . . . A 334 THR HB . 17838 1 828 . 1 1 65 65 THR HG1 H 1 0.72 0 . 1 . . . A 334 THR HG1 . 17838 1 829 . 1 1 65 65 THR HG21 H 1 1.13 0 . . . . . A 334 THR HG21 . 17838 1 830 . 1 1 65 65 THR HG22 H 1 1.13 0 . . . . . A 334 THR HG22 . 17838 1 831 . 1 1 65 65 THR HG23 H 1 1.13 0 . . . . . A 334 THR HG23 . 17838 1 832 . 1 1 65 65 THR C C 13 170 0 . 1 . . . A 334 THR C . 17838 1 833 . 1 1 65 65 THR CA C 13 60.58 0 . 1 . . . A 334 THR CA . 17838 1 834 . 1 1 65 65 THR CB C 13 68.6 0 . 1 . . . A 334 THR CB . 17838 1 835 . 1 1 65 65 THR CG2 C 13 20.27 0 . . . . . A 334 THR CG2 . 17838 1 836 . 1 1 65 65 THR N N 15 112.09 0 . 1 . . . A 334 THR N . 17838 1 837 . 1 1 66 66 LEU H H 1 8.53 0 . 1 . . . A 335 LEU H . 17838 1 838 . 1 1 66 66 LEU HA H 1 4.5 0 . 1 . . . A 335 LEU HA . 17838 1 839 . 1 1 66 66 LEU HB2 H 1 1.51 0 . 2 . . . A 335 LEU HB2 . 17838 1 840 . 1 1 66 66 LEU HB3 H 1 1.97 0 . 2 . . . A 335 LEU HB3 . 17838 1 841 . 1 1 66 66 LEU HG H 1 1.68 0 . 1 . . . A 335 LEU HG . 17838 1 842 . 1 1 66 66 LEU HD11 H 1 1 0 . 2 . . . A 335 LEU HD11 . 17838 1 843 . 1 1 66 66 LEU HD12 H 1 1 0 . 2 . . . A 335 LEU HD12 . 17838 1 844 . 1 1 66 66 LEU HD13 H 1 1 0 . 2 . . . A 335 LEU HD13 . 17838 1 845 . 1 1 66 66 LEU HD21 H 1 0.76 0 . 2 . . . A 335 LEU HD21 . 17838 1 846 . 1 1 66 66 LEU HD22 H 1 0.76 0 . 2 . . . A 335 LEU HD22 . 17838 1 847 . 1 1 66 66 LEU HD23 H 1 0.76 0 . 2 . . . A 335 LEU HD23 . 17838 1 848 . 1 1 66 66 LEU C C 13 173.97 0 . 1 . . . A 335 LEU C . 17838 1 849 . 1 1 66 66 LEU CA C 13 52.79 0 . 1 . . . A 335 LEU CA . 17838 1 850 . 1 1 66 66 LEU CB C 13 40.56 0 . 1 . . . A 335 LEU CB . 17838 1 851 . 1 1 66 66 LEU CG C 13 27.24 0 . 1 . . . A 335 LEU CG . 17838 1 852 . 1 1 66 66 LEU CD1 C 13 24.95 0 . 2 . . . A 335 LEU CD1 . 17838 1 853 . 1 1 66 66 LEU CD2 C 13 21.55 0 . 2 . . . A 335 LEU CD2 . 17838 1 854 . 1 1 66 66 LEU N N 15 121.88 0 . 1 . . . A 335 LEU N . 17838 1 855 . 1 1 67 67 ASN H H 1 8.54 0 . 1 . . . A 336 ASN H . 17838 1 856 . 1 1 67 67 ASN HA H 1 5.5 0 . 1 . . . A 336 ASN HA . 17838 1 857 . 1 1 67 67 ASN HB2 H 1 2.7 0 . 2 . . . A 336 ASN HB2 . 17838 1 858 . 1 1 67 67 ASN HB3 H 1 2.55 0 . 2 . . . A 336 ASN HB3 . 17838 1 859 . 1 1 67 67 ASN HD21 H 1 7.59 0 . 2 . . . A 336 ASN HD21 . 17838 1 860 . 1 1 67 67 ASN CA C 13 51.19 0 . 1 . . . A 336 ASN CA . 17838 1 861 . 1 1 67 67 ASN CB C 13 41.62 0 . 1 . . . A 336 ASN CB . 17838 1 862 . 1 1 67 67 ASN N N 15 115.42 0 . 1 . . . A 336 ASN N . 17838 1 863 . 1 1 68 68 PRO HA H 1 4.17 0 . 1 . . . A 337 PRO HA . 17838 1 864 . 1 1 68 68 PRO HB2 H 1 1.11 0 . 2 . . . A 337 PRO HB2 . 17838 1 865 . 1 1 68 68 PRO HB3 H 1 1.53 0 . 2 . . . A 337 PRO HB3 . 17838 1 866 . 1 1 68 68 PRO HG2 H 1 2.24 0 . 2 . . . A 337 PRO HG2 . 17838 1 867 . 1 1 68 68 PRO HG3 H 1 1.9 0 . 2 . . . A 337 PRO HG3 . 17838 1 868 . 1 1 68 68 PRO HD3 H 1 3.03 0 . 2 . . . A 337 PRO HD3 . 17838 1 869 . 1 1 68 68 PRO C C 13 173.48 0 . 1 . . . A 337 PRO C . 17838 1 870 . 1 1 68 68 PRO CA C 13 62.71 0 . 1 . . . A 337 PRO CA . 17838 1 871 . 1 1 68 68 PRO CB C 13 32.61 0 . 1 . . . A 337 PRO CB . 17838 1 872 . 1 1 69 69 TYR H H 1 8.06 0 . 1 . . . A 338 TYR H . 17838 1 873 . 1 1 69 69 TYR HA H 1 4.47 0 . 1 . . . A 338 TYR HA . 17838 1 874 . 1 1 69 69 TYR HB2 H 1 2.91 0 . 2 . . . A 338 TYR HB2 . 17838 1 875 . 1 1 69 69 TYR HB3 H 1 2.78 0 . 2 . . . A 338 TYR HB3 . 17838 1 876 . 1 1 69 69 TYR HD1 H 1 7.46 0 . 3 . . . A 338 TYR HD1 . 17838 1 877 . 1 1 69 69 TYR HD2 H 1 7.46 0 . 3 . . . A 338 TYR HD2 . 17838 1 878 . 1 1 69 69 TYR HE1 H 1 6.98 0 . 3 . . . A 338 TYR HE1 . 17838 1 879 . 1 1 69 69 TYR HE2 H 1 6.98 0 . 3 . . . A 338 TYR HE2 . 17838 1 880 . 1 1 69 69 TYR C C 13 174.39 0 . 1 . . . A 338 TYR C . 17838 1 881 . 1 1 69 69 TYR CA C 13 57.74 0 . 1 . . . A 338 TYR CA . 17838 1 882 . 1 1 69 69 TYR CB C 13 40.53 0 . 1 . . . A 338 TYR CB . 17838 1 883 . 1 1 69 69 TYR N N 15 120.55 0 . 1 . . . A 338 TYR N . 17838 1 884 . 1 1 70 70 TYR H H 1 8.08 0 . 1 . . . A 339 TYR H . 17838 1 885 . 1 1 70 70 TYR HA H 1 4.4 0 . 1 . . . A 339 TYR HA . 17838 1 886 . 1 1 70 70 TYR HB2 H 1 2.34 0 . 2 . . . A 339 TYR HB2 . 17838 1 887 . 1 1 70 70 TYR HB3 H 1 2.73 0 . 2 . . . A 339 TYR HB3 . 17838 1 888 . 1 1 70 70 TYR HD1 H 1 6.97 0 . 3 . . . A 339 TYR HD1 . 17838 1 889 . 1 1 70 70 TYR HD2 H 1 6.97 0 . 3 . . . A 339 TYR HD2 . 17838 1 890 . 1 1 70 70 TYR C C 13 175.19 0 . 1 . . . A 339 TYR C . 17838 1 891 . 1 1 70 70 TYR CA C 13 59.04 0 . 1 . . . A 339 TYR CA . 17838 1 892 . 1 1 70 70 TYR CB C 13 40.29 0 . 1 . . . A 339 TYR CB . 17838 1 893 . 1 1 70 70 TYR N N 15 122.14 0 . 1 . . . A 339 TYR N . 17838 1 894 . 1 1 71 71 ASN H H 1 8.13 0 . 1 . . . A 340 ASN H . 17838 1 895 . 1 1 71 71 ASN HA H 1 4.08 0 . 1 . . . A 340 ASN HA . 17838 1 896 . 1 1 71 71 ASN HB2 H 1 2.21 0 . 2 . . . A 340 ASN HB2 . 17838 1 897 . 1 1 71 71 ASN HB3 H 1 3.2 0 . 2 . . . A 340 ASN HB3 . 17838 1 898 . 1 1 71 71 ASN HD22 H 1 7.5 0 . 2 . . . A 340 ASN HD22 . 17838 1 899 . 1 1 71 71 ASN C C 13 173.51 0 . 1 . . . A 340 ASN C . 17838 1 900 . 1 1 71 71 ASN CA C 13 53.96 0 . 1 . . . A 340 ASN CA . 17838 1 901 . 1 1 71 71 ASN CB C 13 37.45 0 . 1 . . . A 340 ASN CB . 17838 1 902 . 1 1 71 71 ASN N N 15 120.26 0 . 1 . . . A 340 ASN N . 17838 1 903 . 1 1 72 72 GLU H H 1 7.53 0 . 1 . . . A 341 GLU H . 17838 1 904 . 1 1 72 72 GLU HA H 1 4.3 0 . 1 . . . A 341 GLU HA . 17838 1 905 . 1 1 72 72 GLU HB2 H 1 1.41 0 . 2 . . . A 341 GLU HB2 . 17838 1 906 . 1 1 72 72 GLU HB3 H 1 1.86 0 . 2 . . . A 341 GLU HB3 . 17838 1 907 . 1 1 72 72 GLU HG2 H 1 2.15 0 . 2 . . . A 341 GLU HG2 . 17838 1 908 . 1 1 72 72 GLU C C 13 173 0 . 1 . . . A 341 GLU C . 17838 1 909 . 1 1 72 72 GLU CA C 13 55.47 0 . 1 . . . A 341 GLU CA . 17838 1 910 . 1 1 72 72 GLU CB C 13 33.32 0 . 1 . . . A 341 GLU CB . 17838 1 911 . 1 1 72 72 GLU CG C 13 36.6 0 . 1 . . . A 341 GLU CG . 17838 1 912 . 1 1 72 72 GLU N N 15 117.37 0 . 1 . . . A 341 GLU N . 17838 1 913 . 1 1 73 73 SER H H 1 8.01 0 . 1 . . . A 342 SER H . 17838 1 914 . 1 1 73 73 SER HA H 1 4.74 0 . 1 . . . A 342 SER HA . 17838 1 915 . 1 1 73 73 SER HB2 H 1 3.35 0 . 2 . . . A 342 SER HB2 . 17838 1 916 . 1 1 73 73 SER HB3 H 1 3.35 0 . 2 . . . A 342 SER HB3 . 17838 1 917 . 1 1 73 73 SER C C 13 172.93 0 . 1 . . . A 342 SER C . 17838 1 918 . 1 1 73 73 SER CA C 13 56.81 0 . 1 . . . A 342 SER CA . 17838 1 919 . 1 1 73 73 SER CB C 13 64.72 0 . 1 . . . A 342 SER CB . 17838 1 920 . 1 1 73 73 SER N N 15 117.33 0 . 1 . . . A 342 SER N . 17838 1 921 . 1 1 74 74 PHE H H 1 8.78 0 . 1 . . . A 343 PHE H . 17838 1 922 . 1 1 74 74 PHE HA H 1 4.48 0 . 1 . . . A 343 PHE HA . 17838 1 923 . 1 1 74 74 PHE HB2 H 1 2.53 0 . 2 . . . A 343 PHE HB2 . 17838 1 924 . 1 1 74 74 PHE HB3 H 1 2.53 0 . 2 . . . A 343 PHE HB3 . 17838 1 925 . 1 1 74 74 PHE HD1 H 1 6.97 0 . 3 . . . A 343 PHE HD1 . 17838 1 926 . 1 1 74 74 PHE HD2 H 1 6.97 0 . 3 . . . A 343 PHE HD2 . 17838 1 927 . 1 1 74 74 PHE C C 13 173.48 0 . 1 . . . A 343 PHE C . 17838 1 928 . 1 1 74 74 PHE CA C 13 57.28 0 . 1 . . . A 343 PHE CA . 17838 1 929 . 1 1 74 74 PHE CB C 13 43.13 0 . 1 . . . A 343 PHE CB . 17838 1 930 . 1 1 74 74 PHE N N 15 123.52 0 . 1 . . . A 343 PHE N . 17838 1 931 . 1 1 75 75 SER H H 1 8.43 0 . 1 . . . A 344 SER H . 17838 1 932 . 1 1 75 75 SER HA H 1 5.48 0 . 1 . . . A 344 SER HA . 17838 1 933 . 1 1 75 75 SER HB2 H 1 3.51 0 . 2 . . . A 344 SER HB2 . 17838 1 934 . 1 1 75 75 SER HB3 H 1 3.51 0 . 2 . . . A 344 SER HB3 . 17838 1 935 . 1 1 75 75 SER C C 13 172.17 0 . 1 . . . A 344 SER C . 17838 1 936 . 1 1 75 75 SER CA C 13 57.21 0 . 1 . . . A 344 SER CA . 17838 1 937 . 1 1 75 75 SER CB C 13 66.14 0 . 1 . . . A 344 SER CB . 17838 1 938 . 1 1 75 75 SER N N 15 116.7 0 . 1 . . . A 344 SER N . 17838 1 939 . 1 1 76 76 PHE H H 1 9.44 0 . 1 . . . A 345 PHE H . 17838 1 940 . 1 1 76 76 PHE HA H 1 4.8 0 . 1 . . . A 345 PHE HA . 17838 1 941 . 1 1 76 76 PHE HB2 H 1 2.65 0 . 2 . . . A 345 PHE HB2 . 17838 1 942 . 1 1 76 76 PHE HB3 H 1 2.99 0 . 2 . . . A 345 PHE HB3 . 17838 1 943 . 1 1 76 76 PHE HD1 H 1 7.08 0 . 3 . . . A 345 PHE HD1 . 17838 1 944 . 1 1 76 76 PHE HD2 H 1 7.08 0 . 3 . . . A 345 PHE HD2 . 17838 1 945 . 1 1 76 76 PHE HE1 H 1 6.63 0 . 3 . . . A 345 PHE HE1 . 17838 1 946 . 1 1 76 76 PHE HE2 H 1 6.63 0 . 3 . . . A 345 PHE HE2 . 17838 1 947 . 1 1 76 76 PHE C C 13 173.44 0 . 1 . . . A 345 PHE C . 17838 1 948 . 1 1 76 76 PHE CA C 13 56.08 0 . 1 . . . A 345 PHE CA . 17838 1 949 . 1 1 76 76 PHE CB C 13 43.52 0 . 1 . . . A 345 PHE CB . 17838 1 950 . 1 1 76 76 PHE N N 15 119.99 0 . 1 . . . A 345 PHE N . 17838 1 951 . 1 1 77 77 GLU H H 1 9 0 . 1 . . . A 346 GLU H . 17838 1 952 . 1 1 77 77 GLU HA H 1 4.89 0 . 1 . . . A 346 GLU HA . 17838 1 953 . 1 1 77 77 GLU HB2 H 1 2.02 0 . 2 . . . A 346 GLU HB2 . 17838 1 954 . 1 1 77 77 GLU HB3 H 1 2.02 0 . 2 . . . A 346 GLU HB3 . 17838 1 955 . 1 1 77 77 GLU HG2 H 1 2.17 0 . 2 . . . A 346 GLU HG2 . 17838 1 956 . 1 1 77 77 GLU HG3 H 1 2.14 0 . 2 . . . A 346 GLU HG3 . 17838 1 957 . 1 1 77 77 GLU C C 13 175.51 0 . 1 . . . A 346 GLU C . 17838 1 958 . 1 1 77 77 GLU CA C 13 55.88 0 . 1 . . . A 346 GLU CA . 17838 1 959 . 1 1 77 77 GLU CB C 13 29.22 0 . 1 . . . A 346 GLU CB . 17838 1 960 . 1 1 77 77 GLU CG C 13 36.31 0 . 1 . . . A 346 GLU CG . 17838 1 961 . 1 1 77 77 GLU N N 15 124.12 0 . 1 . . . A 346 GLU N . 17838 1 962 . 1 1 78 78 VAL H H 1 8.47 0 . 1 . . . A 347 VAL H . 17838 1 963 . 1 1 78 78 VAL HA H 1 4.39 0 . 1 . . . A 347 VAL HA . 17838 1 964 . 1 1 78 78 VAL HB H 1 1.94 0 . 1 . . . A 347 VAL HB . 17838 1 965 . 1 1 78 78 VAL HG11 H 1 0.77 0 . 2 . . . A 347 VAL HG11 . 17838 1 966 . 1 1 78 78 VAL HG12 H 1 0.77 0 . 2 . . . A 347 VAL HG12 . 17838 1 967 . 1 1 78 78 VAL HG13 H 1 0.77 0 . 2 . . . A 347 VAL HG13 . 17838 1 968 . 1 1 78 78 VAL HG21 H 1 0.75 0 . 2 . . . A 347 VAL HG21 . 17838 1 969 . 1 1 78 78 VAL HG22 H 1 0.75 0 . 2 . . . A 347 VAL HG22 . 17838 1 970 . 1 1 78 78 VAL HG23 H 1 0.75 0 . 2 . . . A 347 VAL HG23 . 17838 1 971 . 1 1 78 78 VAL CA C 13 59.35 0 . 1 . . . A 347 VAL CA . 17838 1 972 . 1 1 78 78 VAL CB C 13 35.71 0 . 1 . . . A 347 VAL CB . 17838 1 973 . 1 1 78 78 VAL CG1 C 13 21.73 0 . 2 . . . A 347 VAL CG1 . 17838 1 974 . 1 1 78 78 VAL CG2 C 13 21.73 0 . 2 . . . A 347 VAL CG2 . 17838 1 975 . 1 1 78 78 VAL N N 15 125.14 0 . 1 . . . A 347 VAL N . 17838 1 976 . 1 1 79 79 PRO HA H 1 4.55 0 . 1 . . . A 348 PRO HA . 17838 1 977 . 1 1 79 79 PRO HB2 H 1 1.89 0 . 2 . . . A 348 PRO HB2 . 17838 1 978 . 1 1 79 79 PRO HB3 H 1 2.45 0 . 2 . . . A 348 PRO HB3 . 17838 1 979 . 1 1 79 79 PRO HG2 H 1 2.02 0 . 2 . . . A 348 PRO HG2 . 17838 1 980 . 1 1 79 79 PRO HG3 H 1 1.91 0 . 2 . . . A 348 PRO HG3 . 17838 1 981 . 1 1 79 79 PRO HD2 H 1 3.63 0 . 2 . . . A 348 PRO HD2 . 17838 1 982 . 1 1 79 79 PRO HD3 H 1 3.63 0 . 2 . . . A 348 PRO HD3 . 17838 1 983 . 1 1 79 79 PRO C C 13 177.33 0 . 1 . . . A 348 PRO C . 17838 1 984 . 1 1 79 79 PRO CA C 13 62.85 0 . 1 . . . A 348 PRO CA . 17838 1 985 . 1 1 79 79 PRO CB C 13 32.87 0 . 1 . . . A 348 PRO CB . 17838 1 986 . 1 1 79 79 PRO CG C 13 27.49 0 . 1 . . . A 348 PRO CG . 17838 1 987 . 1 1 79 79 PRO CD C 13 51.4 0 . 1 . . . A 348 PRO CD . 17838 1 988 . 1 1 80 80 PHE H H 1 9.25 0 . 1 . . . A 349 PHE H . 17838 1 989 . 1 1 80 80 PHE HA H 1 4.61 0 . 1 . . . A 349 PHE HA . 17838 1 990 . 1 1 80 80 PHE HB2 H 1 2.98 0 . 2 . . . A 349 PHE HB2 . 17838 1 991 . 1 1 80 80 PHE HB3 H 1 3.43 0 . 2 . . . A 349 PHE HB3 . 17838 1 992 . 1 1 80 80 PHE HD1 H 1 7.27 0 . 3 . . . A 349 PHE HD1 . 17838 1 993 . 1 1 80 80 PHE HD2 H 1 7.27 0 . 3 . . . A 349 PHE HD2 . 17838 1 994 . 1 1 80 80 PHE C C 13 177.63 0 . 1 . . . A 349 PHE C . 17838 1 995 . 1 1 80 80 PHE CA C 13 61.05 0 . 1 . . . A 349 PHE CA . 17838 1 996 . 1 1 80 80 PHE CB C 13 38.96 0 . 1 . . . A 349 PHE CB . 17838 1 997 . 1 1 80 80 PHE N N 15 125.59 0 . 1 . . . A 349 PHE N . 17838 1 998 . 1 1 81 81 GLU H H 1 9.12 0 . 1 . . . A 350 GLU H . 17838 1 999 . 1 1 81 81 GLU HA H 1 3.87 0 . 1 . . . A 350 GLU HA . 17838 1 1000 . 1 1 81 81 GLU HB2 H 1 1.93 0 . 2 . . . A 350 GLU HB2 . 17838 1 1001 . 1 1 81 81 GLU HB3 H 1 1.93 0 . 2 . . . A 350 GLU HB3 . 17838 1 1002 . 1 1 81 81 GLU HG2 H 1 2.23 0 . 2 . . . A 350 GLU HG2 . 17838 1 1003 . 1 1 81 81 GLU HG3 H 1 2.2 0 . 2 . . . A 350 GLU HG3 . 17838 1 1004 . 1 1 81 81 GLU C C 13 176.96 0 . 1 . . . A 350 GLU C . 17838 1 1005 . 1 1 81 81 GLU CA C 13 58.87 0 . 1 . . . A 350 GLU CA . 17838 1 1006 . 1 1 81 81 GLU CB C 13 28.59 0 . 1 . . . A 350 GLU CB . 17838 1 1007 . 1 1 81 81 GLU CG C 13 35.97 0 . 1 . . . A 350 GLU CG . 17838 1 1008 . 1 1 81 81 GLU N N 15 116.26 0 . 1 . . . A 350 GLU N . 17838 1 1009 . 1 1 82 82 GLN H H 1 8.08 0 . 1 . . . A 351 GLN H . 17838 1 1010 . 1 1 82 82 GLN HA H 1 4.3 0 . 1 . . . A 351 GLN HA . 17838 1 1011 . 1 1 82 82 GLN HB2 H 1 2.15 0 . 2 . . . A 351 GLN HB2 . 17838 1 1012 . 1 1 82 82 GLN HB3 H 1 1.38 0 . 2 . . . A 351 GLN HB3 . 17838 1 1013 . 1 1 82 82 GLN HG2 H 1 2.33 0 . 2 . . . A 351 GLN HG2 . 17838 1 1014 . 1 1 82 82 GLN HG3 H 1 2.23 0 . 2 . . . A 351 GLN HG3 . 17838 1 1015 . 1 1 82 82 GLN HE21 H 1 7.41 0 . 2 . . . A 351 GLN HE21 . 17838 1 1016 . 1 1 82 82 GLN HE22 H 1 6.84 0 . 2 . . . A 351 GLN HE22 . 17838 1 1017 . 1 1 82 82 GLN C C 13 177.67 0 . 1 . . . A 351 GLN C . 17838 1 1018 . 1 1 82 82 GLN CA C 13 55.02 0 . 1 . . . A 351 GLN CA . 17838 1 1019 . 1 1 82 82 GLN CB C 13 30.36 0 . 1 . . . A 351 GLN CB . 17838 1 1020 . 1 1 82 82 GLN N N 15 116.39 0 . 1 . . . A 351 GLN N . 17838 1 1021 . 1 1 83 83 ILE H H 1 7.11 0 . 1 . . . A 352 ILE H . 17838 1 1022 . 1 1 83 83 ILE HA H 1 3.9 0 . 1 . . . A 352 ILE HA . 17838 1 1023 . 1 1 83 83 ILE HB H 1 1.44 0 . 1 . . . A 352 ILE HB . 17838 1 1024 . 1 1 83 83 ILE HG12 H 1 0.08 0 . 2 . . . A 352 ILE HG12 . 17838 1 1025 . 1 1 83 83 ILE HG13 H 1 0.88 0 . 2 . . . A 352 ILE HG13 . 17838 1 1026 . 1 1 83 83 ILE HG21 H 1 0.76 0 . 1 . . . A 352 ILE HG21 . 17838 1 1027 . 1 1 83 83 ILE HG22 H 1 0.76 0 . 1 . . . A 352 ILE HG22 . 17838 1 1028 . 1 1 83 83 ILE HG23 H 1 0.76 0 . 1 . . . A 352 ILE HG23 . 17838 1 1029 . 1 1 83 83 ILE HD11 H 1 0.26 0 . 1 . . . A 352 ILE HD11 . 17838 1 1030 . 1 1 83 83 ILE HD12 H 1 0.26 0 . 1 . . . A 352 ILE HD12 . 17838 1 1031 . 1 1 83 83 ILE HD13 H 1 0.26 0 . 1 . . . A 352 ILE HD13 . 17838 1 1032 . 1 1 83 83 ILE C C 13 174.82 0 . 1 . . . A 352 ILE C . 17838 1 1033 . 1 1 83 83 ILE CA C 13 60.85 0 . 1 . . . A 352 ILE CA . 17838 1 1034 . 1 1 83 83 ILE CB C 13 38.61 0 . 1 . . . A 352 ILE CB . 17838 1 1035 . 1 1 83 83 ILE CG1 C 13 28.8 0 . 1 . . . A 352 ILE CG1 . 17838 1 1036 . 1 1 83 83 ILE CG2 C 13 19.24 0 . 1 . . . A 352 ILE CG2 . 17838 1 1037 . 1 1 83 83 ILE CD1 C 13 14.67 0 . . . . . A 352 ILE CD1 . 17838 1 1038 . 1 1 83 83 ILE N N 15 120.35 0 . 1 . . . A 352 ILE N . 17838 1 1039 . 1 1 84 84 GLN H H 1 8.11 0 . 1 . . . A 353 GLN H . 17838 1 1040 . 1 1 84 84 GLN HA H 1 4.29 0 . 1 . . . A 353 GLN HA . 17838 1 1041 . 1 1 84 84 GLN HB2 H 1 2.2 0 . 2 . . . A 353 GLN HB2 . 17838 1 1042 . 1 1 84 84 GLN HB3 H 1 1.93 0 . 2 . . . A 353 GLN HB3 . 17838 1 1043 . 1 1 84 84 GLN HG2 H 1 2.38 0 . 2 . . . A 353 GLN HG2 . 17838 1 1044 . 1 1 84 84 GLN HG3 H 1 2.21 0 . 2 . . . A 353 GLN HG3 . 17838 1 1045 . 1 1 84 84 GLN HE21 H 1 7.41 0 . 2 . . . A 353 GLN HE21 . 17838 1 1046 . 1 1 84 84 GLN HE22 H 1 6.84 0 . 2 . . . A 353 GLN HE22 . 17838 1 1047 . 1 1 84 84 GLN C C 13 176.52 0 . 1 . . . A 353 GLN C . 17838 1 1048 . 1 1 84 84 GLN CA C 13 57.04 0 . 1 . . . A 353 GLN CA . 17838 1 1049 . 1 1 84 84 GLN CB C 13 27.7 0 . 1 . . . A 353 GLN CB . 17838 1 1050 . 1 1 84 84 GLN N N 15 116.23 0 . 1 . . . A 353 GLN N . 17838 1 1051 . 1 1 85 85 LYS H H 1 7.75 0 . 1 . . . A 354 LYS H . 17838 1 1052 . 1 1 85 85 LYS HA H 1 4.01 0 . 1 . . . A 354 LYS HA . 17838 1 1053 . 1 1 85 85 LYS HB2 H 1 1.75 0 . 2 . . . A 354 LYS HB2 . 17838 1 1054 . 1 1 85 85 LYS HB3 H 1 1.48 0 . 2 . . . A 354 LYS HB3 . 17838 1 1055 . 1 1 85 85 LYS HG2 H 1 0.86 0 . 2 . . . A 354 LYS HG2 . 17838 1 1056 . 1 1 85 85 LYS HG3 H 1 1.18 0 . 2 . . . A 354 LYS HG3 . 17838 1 1057 . 1 1 85 85 LYS HD2 H 1 1.36 0 . 2 . . . A 354 LYS HD2 . 17838 1 1058 . 1 1 85 85 LYS HD3 H 1 1.17 0 . 2 . . . A 354 LYS HD3 . 17838 1 1059 . 1 1 85 85 LYS HE2 H 1 2.82 0 . 2 . . . A 354 LYS HE2 . 17838 1 1060 . 1 1 85 85 LYS HE3 H 1 2.82 0 . 2 . . . A 354 LYS HE3 . 17838 1 1061 . 1 1 85 85 LYS C C 13 175.92 0 . 1 . . . A 354 LYS C . 17838 1 1062 . 1 1 85 85 LYS CA C 13 55.09 0 . 1 . . . A 354 LYS CA . 17838 1 1063 . 1 1 85 85 LYS CB C 13 33.61 0 . 1 . . . A 354 LYS CB . 17838 1 1064 . 1 1 85 85 LYS N N 15 114.9 0 . 1 . . . A 354 LYS N . 17838 1 1065 . 1 1 86 86 VAL H H 1 6.9 0 . 1 . . . A 355 VAL H . 17838 1 1066 . 1 1 86 86 VAL HA H 1 4.81 0 . 1 . . . A 355 VAL HA . 17838 1 1067 . 1 1 86 86 VAL HB H 1 2.17 0 . 1 . . . A 355 VAL HB . 17838 1 1068 . 1 1 86 86 VAL HG11 H 1 0.88 0 . 2 . . . A 355 VAL HG11 . 17838 1 1069 . 1 1 86 86 VAL HG12 H 1 0.88 0 . 2 . . . A 355 VAL HG12 . 17838 1 1070 . 1 1 86 86 VAL HG13 H 1 0.88 0 . 2 . . . A 355 VAL HG13 . 17838 1 1071 . 1 1 86 86 VAL HG21 H 1 1.02 0 . 2 . . . A 355 VAL HG21 . 17838 1 1072 . 1 1 86 86 VAL HG22 H 1 1.02 0 . 2 . . . A 355 VAL HG22 . 17838 1 1073 . 1 1 86 86 VAL HG23 H 1 1.02 0 . 2 . . . A 355 VAL HG23 . 17838 1 1074 . 1 1 86 86 VAL C C 13 174.78 0 . 1 . . . A 355 VAL C . 17838 1 1075 . 1 1 86 86 VAL CA C 13 60.45 0 . 1 . . . A 355 VAL CA . 17838 1 1076 . 1 1 86 86 VAL CB C 13 34.32 0 . 1 . . . A 355 VAL CB . 17838 1 1077 . 1 1 86 86 VAL N N 15 112.96 0 . 1 . . . A 355 VAL N . 17838 1 1078 . 1 1 87 87 GLN H H 1 8.56 0 . 1 . . . A 356 GLN H . 17838 1 1079 . 1 1 87 87 GLN HA H 1 4.37 0 . 1 . . . A 356 GLN HA . 17838 1 1080 . 1 1 87 87 GLN HB2 H 1 1.67 0 . 2 . . . A 356 GLN HB2 . 17838 1 1081 . 1 1 87 87 GLN HB3 H 1 1.22 0 . 2 . . . A 356 GLN HB3 . 17838 1 1082 . 1 1 87 87 GLN HG2 H 1 1.94 0 . 2 . . . A 356 GLN HG2 . 17838 1 1083 . 1 1 87 87 GLN HG3 H 1 1.94 0 . 2 . . . A 356 GLN HG3 . 17838 1 1084 . 1 1 87 87 GLN C C 13 174.39 0 . 1 . . . A 356 GLN C . 17838 1 1085 . 1 1 87 87 GLN CA C 13 54.41 0 . 1 . . . A 356 GLN CA . 17838 1 1086 . 1 1 87 87 GLN CB C 13 30.82 0 . 1 . . . A 356 GLN CB . 17838 1 1087 . 1 1 87 87 GLN N N 15 118.23 0 . 1 . . . A 356 GLN N . 17838 1 1088 . 1 1 88 88 VAL H H 1 8.3 0 . 1 . . . A 357 VAL H . 17838 1 1089 . 1 1 88 88 VAL HA H 1 4.58 0 . 1 . . . A 357 VAL HA . 17838 1 1090 . 1 1 88 88 VAL HB H 1 1.71 0 . 1 . . . A 357 VAL HB . 17838 1 1091 . 1 1 88 88 VAL HG11 H 1 0.29 0 . 2 . . . A 357 VAL HG11 . 17838 1 1092 . 1 1 88 88 VAL HG12 H 1 0.29 0 . 2 . . . A 357 VAL HG12 . 17838 1 1093 . 1 1 88 88 VAL HG13 H 1 0.29 0 . 2 . . . A 357 VAL HG13 . 17838 1 1094 . 1 1 88 88 VAL HG21 H 1 0.53 0 . 2 . . . A 357 VAL HG21 . 17838 1 1095 . 1 1 88 88 VAL HG22 H 1 0.53 0 . 2 . . . A 357 VAL HG22 . 17838 1 1096 . 1 1 88 88 VAL HG23 H 1 0.53 0 . 2 . . . A 357 VAL HG23 . 17838 1 1097 . 1 1 88 88 VAL C C 13 173.86 0 . 1 . . . A 357 VAL C . 17838 1 1098 . 1 1 88 88 VAL CA C 13 61.19 0 . 1 . . . A 357 VAL CA . 17838 1 1099 . 1 1 88 88 VAL CB C 13 31.95 0 . 1 . . . A 357 VAL CB . 17838 1 1100 . 1 1 88 88 VAL CG1 C 13 20.53 0 . 2 . . . A 357 VAL CG1 . 17838 1 1101 . 1 1 88 88 VAL CG2 C 13 21.52 0 . 2 . . . A 357 VAL CG2 . 17838 1 1102 . 1 1 88 88 VAL N N 15 122.08 0 . 1 . . . A 357 VAL N . 17838 1 1103 . 1 1 89 89 VAL H H 1 9.01 0 . 1 . . . A 358 VAL H . 17838 1 1104 . 1 1 89 89 VAL HA H 1 4.27 0 . 1 . . . A 358 VAL HA . 17838 1 1105 . 1 1 89 89 VAL HB H 1 1.87 0 . 1 . . . A 358 VAL HB . 17838 1 1106 . 1 1 89 89 VAL HG11 H 1 0.79 0 . 2 . . . A 358 VAL HG11 . 17838 1 1107 . 1 1 89 89 VAL HG12 H 1 0.79 0 . 2 . . . A 358 VAL HG12 . 17838 1 1108 . 1 1 89 89 VAL HG13 H 1 0.79 0 . 2 . . . A 358 VAL HG13 . 17838 1 1109 . 1 1 89 89 VAL HG21 H 1 0.78 0 . 2 . . . A 358 VAL HG21 . 17838 1 1110 . 1 1 89 89 VAL HG22 H 1 0.78 0 . 2 . . . A 358 VAL HG22 . 17838 1 1111 . 1 1 89 89 VAL HG23 H 1 0.78 0 . 2 . . . A 358 VAL HG23 . 17838 1 1112 . 1 1 89 89 VAL C C 13 174.84 0 . 1 . . . A 358 VAL C . 17838 1 1113 . 1 1 89 89 VAL CA C 13 61.24 0 . 1 . . . A 358 VAL CA . 17838 1 1114 . 1 1 89 89 VAL CB C 13 33.02 0 . 1 . . . A 358 VAL CB . 17838 1 1115 . 1 1 89 89 VAL CG1 C 13 22.3 0 . 2 . . . A 358 VAL CG1 . 17838 1 1116 . 1 1 89 89 VAL CG2 C 13 20.91 0 . 2 . . . A 358 VAL CG2 . 17838 1 1117 . 1 1 89 89 VAL N N 15 127.8 0 . 1 . . . A 358 VAL N . 17838 1 1118 . 1 1 90 90 VAL H H 1 9.12 0 . 1 . . . A 359 VAL H . 17838 1 1119 . 1 1 90 90 VAL HA H 1 4.49 0 . 1 . . . A 359 VAL HA . 17838 1 1120 . 1 1 90 90 VAL HB H 1 1.59 0 . 1 . . . A 359 VAL HB . 17838 1 1121 . 1 1 90 90 VAL HG11 H 1 0.34 0 . 2 . . . A 359 VAL HG11 . 17838 1 1122 . 1 1 90 90 VAL HG12 H 1 0.34 0 . 2 . . . A 359 VAL HG12 . 17838 1 1123 . 1 1 90 90 VAL HG13 H 1 0.34 0 . 2 . . . A 359 VAL HG13 . 17838 1 1124 . 1 1 90 90 VAL HG21 H 1 -0.06 0 . 2 . . . A 359 VAL HG21 . 17838 1 1125 . 1 1 90 90 VAL HG22 H 1 -0.06 0 . 2 . . . A 359 VAL HG22 . 17838 1 1126 . 1 1 90 90 VAL HG23 H 1 -0.06 0 . 2 . . . A 359 VAL HG23 . 17838 1 1127 . 1 1 90 90 VAL C C 13 173.58 0 . 1 . . . A 359 VAL C . 17838 1 1128 . 1 1 90 90 VAL CA C 13 61.48 0 . 1 . . . A 359 VAL CA . 17838 1 1129 . 1 1 90 90 VAL CB C 13 33.53 0 . 1 . . . A 359 VAL CB . 17838 1 1130 . 1 1 90 90 VAL CG1 C 13 21.6 0 . 2 . . . A 359 VAL CG1 . 17838 1 1131 . 1 1 90 90 VAL CG2 C 13 19.42 0 . 2 . . . A 359 VAL CG2 . 17838 1 1132 . 1 1 90 90 VAL N N 15 129.8 0 . 1 . . . A 359 VAL N . 17838 1 1133 . 1 1 91 91 THR H H 1 8.75 0 . 1 . . . A 360 THR H . 17838 1 1134 . 1 1 91 91 THR HA H 1 4.77 0 . 1 . . . A 360 THR HA . 17838 1 1135 . 1 1 91 91 THR HB H 1 3.6 0 . 1 . . . A 360 THR HB . 17838 1 1136 . 1 1 91 91 THR C C 13 173.01 0 . 1 . . . A 360 THR C . 17838 1 1137 . 1 1 91 91 THR CA C 13 61.36 0 . 1 . . . A 360 THR CA . 17838 1 1138 . 1 1 91 91 THR CB C 13 70.86 0 . 1 . . . A 360 THR CB . 17838 1 1139 . 1 1 91 91 THR N N 15 122.29 0 . 1 . . . A 360 THR N . 17838 1 1140 . 1 1 92 92 VAL H H 1 8.58 0 . 1 . . . A 361 VAL H . 17838 1 1141 . 1 1 92 92 VAL HA H 1 4.67 0 . 1 . . . A 361 VAL HA . 17838 1 1142 . 1 1 92 92 VAL HB H 1 1.75 0 . 1 . . . A 361 VAL HB . 17838 1 1143 . 1 1 92 92 VAL HG11 H 1 0.95 0 . 2 . . . A 361 VAL HG11 . 17838 1 1144 . 1 1 92 92 VAL HG12 H 1 0.95 0 . 2 . . . A 361 VAL HG12 . 17838 1 1145 . 1 1 92 92 VAL HG13 H 1 0.95 0 . 2 . . . A 361 VAL HG13 . 17838 1 1146 . 1 1 92 92 VAL HG21 H 1 0.83 0 . 2 . . . A 361 VAL HG21 . 17838 1 1147 . 1 1 92 92 VAL HG22 H 1 0.83 0 . 2 . . . A 361 VAL HG22 . 17838 1 1148 . 1 1 92 92 VAL HG23 H 1 0.83 0 . 2 . . . A 361 VAL HG23 . 17838 1 1149 . 1 1 92 92 VAL C C 13 174.22 0 . 1 . . . A 361 VAL C . 17838 1 1150 . 1 1 92 92 VAL CA C 13 61 0 . 1 . . . A 361 VAL CA . 17838 1 1151 . 1 1 92 92 VAL CB C 13 31.96 0 . 1 . . . A 361 VAL CB . 17838 1 1152 . 1 1 92 92 VAL CG1 C 13 21.78 0 . 2 . . . A 361 VAL CG1 . 17838 1 1153 . 1 1 92 92 VAL CG2 C 13 23.3 0 . 2 . . . A 361 VAL CG2 . 17838 1 1154 . 1 1 92 92 VAL N N 15 125.18 0 . 1 . . . A 361 VAL N . 17838 1 1155 . 1 1 93 93 LEU H H 1 8.86 0 . 1 . . . A 362 LEU H . 17838 1 1156 . 1 1 93 93 LEU HA H 1 4.75 0 . 1 . . . A 362 LEU HA . 17838 1 1157 . 1 1 93 93 LEU HB2 H 1 1.09 0 . 2 . . . A 362 LEU HB2 . 17838 1 1158 . 1 1 93 93 LEU HB3 H 1 0.41 0 . 2 . . . A 362 LEU HB3 . 17838 1 1159 . 1 1 93 93 LEU HG H 1 1.11 0 . 1 . . . A 362 LEU HG . 17838 1 1160 . 1 1 93 93 LEU HD11 H 1 0.4 0 . 2 . . . A 362 LEU HD11 . 17838 1 1161 . 1 1 93 93 LEU HD12 H 1 0.4 0 . 2 . . . A 362 LEU HD12 . 17838 1 1162 . 1 1 93 93 LEU HD13 H 1 0.4 0 . 2 . . . A 362 LEU HD13 . 17838 1 1163 . 1 1 93 93 LEU HD21 H 1 0.77 0 . 2 . . . A 362 LEU HD21 . 17838 1 1164 . 1 1 93 93 LEU HD22 H 1 0.77 0 . 2 . . . A 362 LEU HD22 . 17838 1 1165 . 1 1 93 93 LEU HD23 H 1 0.77 0 . 2 . . . A 362 LEU HD23 . 17838 1 1166 . 1 1 93 93 LEU C C 13 173.47 0 . 1 . . . A 362 LEU C . 17838 1 1167 . 1 1 93 93 LEU CA C 13 55.47 0 . 1 . . . A 362 LEU CA . 17838 1 1168 . 1 1 93 93 LEU CB C 13 44.44 0 . 1 . . . A 362 LEU CB . 17838 1 1169 . 1 1 93 93 LEU N N 15 127.95 0 . 1 . . . A 362 LEU N . 17838 1 1170 . 1 1 94 94 ASP H H 1 8.38 0 . 1 . . . A 363 ASP H . 17838 1 1171 . 1 1 94 94 ASP HA H 1 4.81 0 . 1 . . . A 363 ASP HA . 17838 1 1172 . 1 1 94 94 ASP HB2 H 1 2.57 0 . 2 . . . A 363 ASP HB2 . 17838 1 1173 . 1 1 94 94 ASP HB3 H 1 2.25 0 . 2 . . . A 363 ASP HB3 . 17838 1 1174 . 1 1 94 94 ASP C C 13 175.87 0 . 1 . . . A 363 ASP C . 17838 1 1175 . 1 1 94 94 ASP CA C 13 52.02 0 . 1 . . . A 363 ASP CA . 17838 1 1176 . 1 1 94 94 ASP CB C 13 44.16 0 . 1 . . . A 363 ASP CB . 17838 1 1177 . 1 1 94 94 ASP N N 15 116.58 0 . 1 . . . A 363 ASP N . 17838 1 1178 . 1 1 95 95 TYR H H 1 9.38 0 . 1 . . . A 364 TYR H . 17838 1 1179 . 1 1 95 95 TYR HA H 1 4.31 0 . 1 . . . A 364 TYR HA . 17838 1 1180 . 1 1 95 95 TYR HB2 H 1 3 0 . 2 . . . A 364 TYR HB2 . 17838 1 1181 . 1 1 95 95 TYR HB3 H 1 3 0 . 2 . . . A 364 TYR HB3 . 17838 1 1182 . 1 1 95 95 TYR HD1 H 1 6.83 0 . 3 . . . A 364 TYR HD1 . 17838 1 1183 . 1 1 95 95 TYR HD2 H 1 6.83 0 . 3 . . . A 364 TYR HD2 . 17838 1 1184 . 1 1 95 95 TYR HE1 H 1 6.47 0 . 3 . . . A 364 TYR HE1 . 17838 1 1185 . 1 1 95 95 TYR HE2 H 1 6.47 0 . 3 . . . A 364 TYR HE2 . 17838 1 1186 . 1 1 95 95 TYR C C 13 175.26 0 . 1 . . . A 364 TYR C . 17838 1 1187 . 1 1 95 95 TYR CA C 13 59.75 0 . 1 . . . A 364 TYR CA . 17838 1 1188 . 1 1 95 95 TYR CB C 13 39.3 0 . 1 . . . A 364 TYR CB . 17838 1 1189 . 1 1 95 95 TYR N N 15 127.59 0 . 1 . . . A 364 TYR N . 17838 1 1190 . 1 1 96 96 ASP H H 1 7.8 0 . 1 . . . A 365 ASP H . 17838 1 1191 . 1 1 96 96 ASP HA H 1 4.59 0 . 1 . . . A 365 ASP HA . 17838 1 1192 . 1 1 96 96 ASP HB2 H 1 2.34 0 . 2 . . . A 365 ASP HB2 . 17838 1 1193 . 1 1 96 96 ASP HB3 H 1 2.41 0 . 2 . . . A 365 ASP HB3 . 17838 1 1194 . 1 1 96 96 ASP C C 13 172.48 0 . 1 . . . A 365 ASP C . 17838 1 1195 . 1 1 96 96 ASP CA C 13 52.63 0 . 1 . . . A 365 ASP CA . 17838 1 1196 . 1 1 96 96 ASP CB C 13 41.91 0 . 1 . . . A 365 ASP CB . 17838 1 1197 . 1 1 96 96 ASP N N 15 131.5 0 . 1 . . . A 365 ASP N . 17838 1 1198 . 1 1 97 97 LYS H H 1 8.03 0 . 1 . . . A 366 LYS H . 17838 1 1199 . 1 1 97 97 LYS HA H 1 3.84 0 . 1 . . . A 366 LYS HA . 17838 1 1200 . 1 1 97 97 LYS HB2 H 1 1.83 0 . 2 . . . A 366 LYS HB2 . 17838 1 1201 . 1 1 97 97 LYS HB3 H 1 1.83 0 . 2 . . . A 366 LYS HB3 . 17838 1 1202 . 1 1 97 97 LYS HG2 H 1 1.44 0 . 2 . . . A 366 LYS HG2 . 17838 1 1203 . 1 1 97 97 LYS HG3 H 1 1.44 0 . 2 . . . A 366 LYS HG3 . 17838 1 1204 . 1 1 97 97 LYS HD2 H 1 1.76 0 . 2 . . . A 366 LYS HD2 . 17838 1 1205 . 1 1 97 97 LYS HD3 H 1 1.76 0 . 2 . . . A 366 LYS HD3 . 17838 1 1206 . 1 1 97 97 LYS HE2 H 1 3.08 0 . 2 . . . A 366 LYS HE2 . 17838 1 1207 . 1 1 97 97 LYS HE3 H 1 3.08 0 . 2 . . . A 366 LYS HE3 . 17838 1 1208 . 1 1 97 97 LYS C C 13 176.44 0 . 1 . . . A 366 LYS C . 17838 1 1209 . 1 1 97 97 LYS CA C 13 58.4 0 . 1 . . . A 366 LYS CA . 17838 1 1210 . 1 1 97 97 LYS CB C 13 33.03 0 . 1 . . . A 366 LYS CB . 17838 1 1211 . 1 1 97 97 LYS N N 15 120.72 0 . 1 . . . A 366 LYS N . 17838 1 1212 . 1 1 98 98 ILE H H 1 7.79 0 . 1 . . . A 367 ILE H . 17838 1 1213 . 1 1 98 98 ILE HA H 1 4.08 0 . 1 . . . A 367 ILE HA . 17838 1 1214 . 1 1 98 98 ILE HB H 1 1.72 0 . 1 . . . A 367 ILE HB . 17838 1 1215 . 1 1 98 98 ILE HG12 H 1 1.35 0 . 2 . . . A 367 ILE HG12 . 17838 1 1216 . 1 1 98 98 ILE HG13 H 1 1.05 0 . 2 . . . A 367 ILE HG13 . 17838 1 1217 . 1 1 98 98 ILE HG21 H 1 0.75 0 . 1 . . . A 367 ILE HG21 . 17838 1 1218 . 1 1 98 98 ILE HG22 H 1 0.75 0 . 1 . . . A 367 ILE HG22 . 17838 1 1219 . 1 1 98 98 ILE HG23 H 1 0.75 0 . 1 . . . A 367 ILE HG23 . 17838 1 1220 . 1 1 98 98 ILE HD11 H 1 0.74 0 . 1 . . . A 367 ILE HD11 . 17838 1 1221 . 1 1 98 98 ILE HD12 H 1 0.74 0 . 1 . . . A 367 ILE HD12 . 17838 1 1222 . 1 1 98 98 ILE HD13 H 1 0.74 0 . 1 . . . A 367 ILE HD13 . 17838 1 1223 . 1 1 98 98 ILE C C 13 176.2 0 . 1 . . . A 367 ILE C . 17838 1 1224 . 1 1 98 98 ILE CA C 13 60.91 0 . 1 . . . A 367 ILE CA . 17838 1 1225 . 1 1 98 98 ILE CB C 13 38.44 0 . 1 . . . A 367 ILE CB . 17838 1 1226 . 1 1 98 98 ILE CG1 C 13 27.03 0 . 1 . . . A 367 ILE CG1 . 17838 1 1227 . 1 1 98 98 ILE CG2 C 13 17.14 0 . 1 . . . A 367 ILE CG2 . 17838 1 1228 . 1 1 98 98 ILE CD1 C 13 12.43 0 . 1 . . . A 367 ILE CD1 . 17838 1 1229 . 1 1 98 98 ILE N N 15 117.46 0 . 1 . . . A 367 ILE N . 17838 1 1230 . 1 1 99 99 GLY H H 1 8.16 0 . 1 . . . A 368 GLY H . 17838 1 1231 . 1 1 99 99 GLY HA2 H 1 3.68 0 . 2 . . . A 368 GLY HA2 . 17838 1 1232 . 1 1 99 99 GLY HA3 H 1 4.11 0 . . . . . A 368 GLY HA3 . 17838 1 1233 . 1 1 99 99 GLY C C 13 173.46 0 . 1 . . . A 368 GLY C . 17838 1 1234 . 1 1 99 99 GLY CA C 13 44.19 0 . 1 . . . A 368 GLY CA . 17838 1 1235 . 1 1 99 99 GLY N N 15 113.73 0 . 1 . . . A 368 GLY N . 17838 1 1236 . 1 1 100 100 LYS H H 1 8.02 0 . 1 . . . A 369 LYS H . 17838 1 1237 . 1 1 100 100 LYS HA H 1 4.26 0 . 1 . . . A 369 LYS HA . 17838 1 1238 . 1 1 100 100 LYS HB2 H 1 1.71 0 . 2 . . . A 369 LYS HB2 . 17838 1 1239 . 1 1 100 100 LYS HB3 H 1 1.71 0 . 2 . . . A 369 LYS HB3 . 17838 1 1240 . 1 1 100 100 LYS HG2 H 1 1.43 0 . 2 . . . A 369 LYS HG2 . 17838 1 1241 . 1 1 100 100 LYS HG3 H 1 1.33 0 . 2 . . . A 369 LYS HG3 . 17838 1 1242 . 1 1 100 100 LYS HD2 H 1 1.67 0 . 2 . . . A 369 LYS HD2 . 17838 1 1243 . 1 1 100 100 LYS HD3 H 1 1.67 0 . 2 . . . A 369 LYS HD3 . 17838 1 1244 . 1 1 100 100 LYS HE2 H 1 3.01 0 . 2 . . . A 369 LYS HE2 . 17838 1 1245 . 1 1 100 100 LYS HE3 H 1 3.01 0 . 2 . . . A 369 LYS HE3 . 17838 1 1246 . 1 1 100 100 LYS C C 13 175.27 0 . 1 . . . A 369 LYS C . 17838 1 1247 . 1 1 100 100 LYS CA C 13 56.03 0 . 1 . . . A 369 LYS CA . 17838 1 1248 . 1 1 100 100 LYS CB C 13 33.09 0 . 1 . . . A 369 LYS CB . 17838 1 1249 . 1 1 100 100 LYS CG C 13 24.46 0 . 1 . . . A 369 LYS CG . 17838 1 1250 . 1 1 100 100 LYS CD C 13 28.66 0 . 1 . . . A 369 LYS CD . 17838 1 1251 . 1 1 100 100 LYS CE C 13 40 0 . 1 . . . A 369 LYS CE . 17838 1 1252 . 1 1 100 100 LYS N N 15 119.98 0 . 1 . . . A 369 LYS N . 17838 1 1253 . 1 1 101 101 ASN H H 1 8.73 0 . 1 . . . A 370 ASN H . 17838 1 1254 . 1 1 101 101 ASN HA H 1 5.04 0 . 1 . . . A 370 ASN HA . 17838 1 1255 . 1 1 101 101 ASN HB2 H 1 2.85 0 . 2 . . . A 370 ASN HB2 . 17838 1 1256 . 1 1 101 101 ASN HB3 H 1 2.85 0 . 2 . . . A 370 ASN HB3 . 17838 1 1257 . 1 1 101 101 ASN HD21 H 1 7.17 0 . 2 . . . A 370 ASN HD21 . 17838 1 1258 . 1 1 101 101 ASN CA C 13 52.23 0 . 1 . . . A 370 ASN CA . 17838 1 1259 . 1 1 101 101 ASN CB C 13 38.49 0 . 1 . . . A 370 ASN CB . 17838 1 1260 . 1 1 101 101 ASN N N 15 124.53 0 . 1 . . . A 370 ASN N . 17838 1 1261 . 1 1 102 102 ASP H H 1 8.55 0 . 1 . . . A 371 ASP H . 17838 1 1262 . 1 1 102 102 ASP HA H 1 4.59 0 . 1 . . . A 371 ASP HA . 17838 1 1263 . 1 1 102 102 ASP HB2 H 1 2.5 0 . 2 . . . A 371 ASP HB2 . 17838 1 1264 . 1 1 102 102 ASP HB3 H 1 2.49 0 . 2 . . . A 371 ASP HB3 . 17838 1 1265 . 1 1 102 102 ASP CA C 13 53.98 0 . 1 . . . A 371 ASP CA . 17838 1 1266 . 1 1 102 102 ASP CB C 13 42.94 0 . 1 . . . A 371 ASP CB . 17838 1 1267 . 1 1 102 102 ASP N N 15 123.52 0 . 1 . . . A 371 ASP N . 17838 1 1268 . 1 1 103 103 ALA H H 1 8.87 0 . 1 . . . A 372 ALA H . 17838 1 1269 . 1 1 103 103 ALA HA H 1 4.21 0 . 1 . . . A 372 ALA HA . 17838 1 1270 . 1 1 103 103 ALA HB1 H 1 1.1 0 . 1 . . . A 372 ALA HB1 . 17838 1 1271 . 1 1 103 103 ALA HB2 H 1 1.1 0 . 1 . . . A 372 ALA HB2 . 17838 1 1272 . 1 1 103 103 ALA HB3 H 1 1.1 0 . 1 . . . A 372 ALA HB3 . 17838 1 1273 . 1 1 103 103 ALA C C 13 177.14 0 . 1 . . . A 372 ALA C . 17838 1 1274 . 1 1 103 103 ALA CA C 13 52.91 0 . 1 . . . A 372 ALA CA . 17838 1 1275 . 1 1 103 103 ALA CB C 13 17.74 0 . 1 . . . A 372 ALA CB . 17838 1 1276 . 1 1 103 103 ALA N N 15 124.12 0 . 1 . . . A 372 ALA N . 17838 1 1277 . 1 1 104 104 ILE H H 1 9.49 0 . 1 . . . A 373 ILE H . 17838 1 1278 . 1 1 104 104 ILE HA H 1 3.85 0 . 1 . . . A 373 ILE HA . 17838 1 1279 . 1 1 104 104 ILE HB H 1 1.38 0 . 1 . . . A 373 ILE HB . 17838 1 1280 . 1 1 104 104 ILE HG12 H 1 1.59 0 . 2 . . . A 373 ILE HG12 . 17838 1 1281 . 1 1 104 104 ILE HG13 H 1 1.16 0 . 2 . . . A 373 ILE HG13 . 17838 1 1282 . 1 1 104 104 ILE HG21 H 1 1.07 0 . 1 . . . A 373 ILE HG21 . 17838 1 1283 . 1 1 104 104 ILE HG22 H 1 1.07 0 . 1 . . . A 373 ILE HG22 . 17838 1 1284 . 1 1 104 104 ILE HG23 H 1 1.07 0 . 1 . . . A 373 ILE HG23 . 17838 1 1285 . 1 1 104 104 ILE HD11 H 1 0.79 0 . 1 . . . A 373 ILE HD11 . 17838 1 1286 . 1 1 104 104 ILE HD12 H 1 0.79 0 . 1 . . . A 373 ILE HD12 . 17838 1 1287 . 1 1 104 104 ILE HD13 H 1 0.79 0 . 1 . . . A 373 ILE HD13 . 17838 1 1288 . 1 1 104 104 ILE C C 13 176.45 0 . 1 . . . A 373 ILE C . 17838 1 1289 . 1 1 104 104 ILE CA C 13 64.67 0 . 1 . . . A 373 ILE CA . 17838 1 1290 . 1 1 104 104 ILE CB C 13 38.9 0 . 1 . . . A 373 ILE CB . 17838 1 1291 . 1 1 104 104 ILE CG1 C 13 28.04 0 . 1 . . . A 373 ILE CG1 . 17838 1 1292 . 1 1 104 104 ILE CG2 C 13 19.28 0 . 1 . . . A 373 ILE CG2 . 17838 1 1293 . 1 1 104 104 ILE CD1 C 13 16.23 0 . 1 . . . A 373 ILE CD1 . 17838 1 1294 . 1 1 104 104 ILE N N 15 123.11 0 . 1 . . . A 373 ILE N . 17838 1 1295 . 1 1 105 105 GLY H H 1 7.31 0 . 1 . . . A 374 GLY H . 17838 1 1296 . 1 1 105 105 GLY HA2 H 1 3.85 0 . 2 . . . A 374 GLY HA2 . 17838 1 1297 . 1 1 105 105 GLY HA3 H 1 4.07 0 . . . . . A 374 GLY HA3 . 17838 1 1298 . 1 1 105 105 GLY C C 13 170.16 0 . 1 . . . A 374 GLY C . 17838 1 1299 . 1 1 105 105 GLY CA C 13 46.13 0 . 1 . . . A 374 GLY CA . 17838 1 1300 . 1 1 105 105 GLY N N 15 99.21 0 . 1 . . . A 374 GLY N . 17838 1 1301 . 1 1 106 106 LYS H H 1 9.6 0 . 1 . . . A 375 LYS H . 17838 1 1302 . 1 1 106 106 LYS HA H 1 5.52 0 . 1 . . . A 375 LYS HA . 17838 1 1303 . 1 1 106 106 LYS HB2 H 1 1.56 0 . 2 . . . A 375 LYS HB2 . 17838 1 1304 . 1 1 106 106 LYS HB3 H 1 1.56 0 . 2 . . . A 375 LYS HB3 . 17838 1 1305 . 1 1 106 106 LYS HG2 H 1 1.26 0 . 2 . . . A 375 LYS HG2 . 17838 1 1306 . 1 1 106 106 LYS HG3 H 1 1.26 0 . 2 . . . A 375 LYS HG3 . 17838 1 1307 . 1 1 106 106 LYS HD2 H 1 1.63 0 . 2 . . . A 375 LYS HD2 . 17838 1 1308 . 1 1 106 106 LYS HD3 H 1 1.45 0 . 2 . . . A 375 LYS HD3 . 17838 1 1309 . 1 1 106 106 LYS HE2 H 1 2.39 0 . 2 . . . A 375 LYS HE2 . 17838 1 1310 . 1 1 106 106 LYS HE3 H 1 2.19 0 . 2 . . . A 375 LYS HE3 . 17838 1 1311 . 1 1 106 106 LYS C C 13 173.6 0 . 1 . . . A 375 LYS C . 17838 1 1312 . 1 1 106 106 LYS CA C 13 55.13 0 . 1 . . . A 375 LYS CA . 17838 1 1313 . 1 1 106 106 LYS CB C 13 39.04 0 . 1 . . . A 375 LYS CB . 17838 1 1314 . 1 1 106 106 LYS CG C 13 24.15 0 . 1 . . . A 375 LYS CG . 17838 1 1315 . 1 1 106 106 LYS CD C 13 31.01 0 . 1 . . . A 375 LYS CD . 17838 1 1316 . 1 1 106 106 LYS CE C 13 41.92 0 . 1 . . . A 375 LYS CE . 17838 1 1317 . 1 1 106 106 LYS N N 15 119.58 0 . 1 . . . A 375 LYS N . 17838 1 1318 . 1 1 107 107 VAL H H 1 8.91 0 . 1 . . . A 376 VAL H . 17838 1 1319 . 1 1 107 107 VAL HA H 1 4.67 0 . 1 . . . A 376 VAL HA . 17838 1 1320 . 1 1 107 107 VAL HB H 1 2.21 0 . 1 . . . A 376 VAL HB . 17838 1 1321 . 1 1 107 107 VAL HG11 H 1 0.94 0 . 2 . . . A 376 VAL HG11 . 17838 1 1322 . 1 1 107 107 VAL HG12 H 1 0.94 0 . 2 . . . A 376 VAL HG12 . 17838 1 1323 . 1 1 107 107 VAL HG13 H 1 0.94 0 . 2 . . . A 376 VAL HG13 . 17838 1 1324 . 1 1 107 107 VAL HG21 H 1 0.84 0 . 2 . . . A 376 VAL HG21 . 17838 1 1325 . 1 1 107 107 VAL HG22 H 1 0.84 0 . 2 . . . A 376 VAL HG22 . 17838 1 1326 . 1 1 107 107 VAL HG23 H 1 0.84 0 . 2 . . . A 376 VAL HG23 . 17838 1 1327 . 1 1 107 107 VAL C C 13 172.04 0 . 1 . . . A 376 VAL C . 17838 1 1328 . 1 1 107 107 VAL CA C 13 60.67 0 . 1 . . . A 376 VAL CA . 17838 1 1329 . 1 1 107 107 VAL CB C 13 35.22 0 . 1 . . . A 376 VAL CB . 17838 1 1330 . 1 1 107 107 VAL CG1 C 13 21.36 0 . 2 . . . A 376 VAL CG1 . 17838 1 1331 . 1 1 107 107 VAL CG2 C 13 21.36 0 . 2 . . . A 376 VAL CG2 . 17838 1 1332 . 1 1 107 107 VAL N N 15 116.62 0 . 1 . . . A 376 VAL N . 17838 1 1333 . 1 1 108 108 PHE H H 1 8.56 0 . 1 . . . A 377 PHE H . 17838 1 1334 . 1 1 108 108 PHE HA H 1 5.69 0 . 1 . . . A 377 PHE HA . 17838 1 1335 . 1 1 108 108 PHE HB2 H 1 2.58 0 . 2 . . . A 377 PHE HB2 . 17838 1 1336 . 1 1 108 108 PHE HB3 H 1 2.82 0 . 2 . . . A 377 PHE HB3 . 17838 1 1337 . 1 1 108 108 PHE HD1 H 1 6.61 0 . 3 . . . A 377 PHE HD1 . 17838 1 1338 . 1 1 108 108 PHE HD2 H 1 6.61 0 . 3 . . . A 377 PHE HD2 . 17838 1 1339 . 1 1 108 108 PHE CA C 13 55.46 0 . 1 . . . A 377 PHE CA . 17838 1 1340 . 1 1 108 108 PHE CB C 13 44.42 0 . 1 . . . A 377 PHE CB . 17838 1 1341 . 1 1 108 108 PHE N N 15 120.92 0 . 1 . . . A 377 PHE N . 17838 1 1342 . 1 1 109 109 VAL H H 1 8.32 0 . 1 . . . A 378 VAL H . 17838 1 1343 . 1 1 109 109 VAL HA H 1 4.15 0 . 1 . . . A 378 VAL HA . 17838 1 1344 . 1 1 109 109 VAL HB H 1 2.17 0 . 1 . . . A 378 VAL HB . 17838 1 1345 . 1 1 109 109 VAL HG11 H 1 0.86 0 . 2 . . . A 378 VAL HG11 . 17838 1 1346 . 1 1 109 109 VAL HG12 H 1 0.86 0 . 2 . . . A 378 VAL HG12 . 17838 1 1347 . 1 1 109 109 VAL HG13 H 1 0.86 0 . 2 . . . A 378 VAL HG13 . 17838 1 1348 . 1 1 109 109 VAL HG21 H 1 0.88 0 . 2 . . . A 378 VAL HG21 . 17838 1 1349 . 1 1 109 109 VAL HG22 H 1 0.88 0 . 2 . . . A 378 VAL HG22 . 17838 1 1350 . 1 1 109 109 VAL HG23 H 1 0.88 0 . 2 . . . A 378 VAL HG23 . 17838 1 1351 . 1 1 109 109 VAL CA C 13 58.14 0 . 1 . . . A 378 VAL CA . 17838 1 1352 . 1 1 109 109 VAL CB C 13 33.75 0 . 1 . . . A 378 VAL CB . 17838 1 1353 . 1 1 109 109 VAL N N 15 108.5 0 . 1 . . . A 378 VAL N . 17838 1 1354 . 1 1 110 110 GLY HA2 H 1 3.56 0 . 2 . . . A 379 GLY HA2 . 17838 1 1355 . 1 1 110 110 GLY HA3 H 1 3.56 0 . . . . . A 379 GLY HA3 . 17838 1 1356 . 1 1 110 110 GLY CA C 13 41.34 0 . 1 . . . A 379 GLY CA . 17838 1 1357 . 1 1 111 111 TYR HA H 1 4.01 0 . 1 . . . A 380 TYR HA . 17838 1 1358 . 1 1 111 111 TYR HB2 H 1 2.96 0 . 2 . . . A 380 TYR HB2 . 17838 1 1359 . 1 1 111 111 TYR HB3 H 1 2.96 0 . 2 . . . A 380 TYR HB3 . 17838 1 1360 . 1 1 111 111 TYR CA C 13 59.88 0 . 1 . . . A 380 TYR CA . 17838 1 1361 . 1 1 111 111 TYR CB C 13 37.86 0 . 1 . . . A 380 TYR CB . 17838 1 1362 . 1 1 112 112 ASN HA H 1 4.25 0 . 1 . . . A 381 ASN HA . 17838 1 1363 . 1 1 112 112 ASN HB2 H 1 3 0 . 2 . . . A 381 ASN HB2 . 17838 1 1364 . 1 1 112 112 ASN HB3 H 1 2.51 0 . 2 . . . A 381 ASN HB3 . 17838 1 1365 . 1 1 112 112 ASN CA C 13 54.17 0 . 1 . . . A 381 ASN CA . 17838 1 1366 . 1 1 112 112 ASN CB C 13 37.81 0 . 1 . . . A 381 ASN CB . 17838 1 1367 . 1 1 113 113 SER HA H 1 4.14 0 . 1 . . . A 382 SER HA . 17838 1 1368 . 1 1 113 113 SER HB2 H 1 3.07 0 . 2 . . . A 382 SER HB2 . 17838 1 1369 . 1 1 113 113 SER HB3 H 1 3.65 0 . 2 . . . A 382 SER HB3 . 17838 1 1370 . 1 1 113 113 SER C C 13 172.76 0 . 1 . . . A 382 SER C . 17838 1 1371 . 1 1 113 113 SER CA C 13 58.61 0 . 1 . . . A 382 SER CA . 17838 1 1372 . 1 1 113 113 SER CB C 13 64.62 0 . 1 . . . A 382 SER CB . 17838 1 1373 . 1 1 114 114 THR H H 1 7.71 0 . 1 . . . A 383 THR H . 17838 1 1374 . 1 1 114 114 THR HA H 1 4.73 0 . 1 . . . A 383 THR HA . 17838 1 1375 . 1 1 114 114 THR HB H 1 4.18 0 . 1 . . . A 383 THR HB . 17838 1 1376 . 1 1 114 114 THR HG21 H 1 1.03 0 . 1 . . . A 383 THR HG21 . 17838 1 1377 . 1 1 114 114 THR HG22 H 1 1.03 0 . 1 . . . A 383 THR HG22 . 17838 1 1378 . 1 1 114 114 THR HG23 H 1 1.03 0 . 1 . . . A 383 THR HG23 . 17838 1 1379 . 1 1 114 114 THR C C 13 176.03 0 . 1 . . . A 383 THR C . 17838 1 1380 . 1 1 114 114 THR CA C 13 60.12 0 . 1 . . . A 383 THR CA . 17838 1 1381 . 1 1 114 114 THR CB C 13 72.95 0 . 1 . . . A 383 THR CB . 17838 1 1382 . 1 1 114 114 THR CG2 C 13 21.3 0 . . . . . A 383 THR CG2 . 17838 1 1383 . 1 1 114 114 THR N N 15 106.23 0 . 1 . . . A 383 THR N . 17838 1 1384 . 1 1 115 115 GLY H H 1 8.84 0 . 1 . . . A 384 GLY H . 17838 1 1385 . 1 1 115 115 GLY HA2 H 1 3.78 0 . 2 . . . A 384 GLY HA2 . 17838 1 1386 . 1 1 115 115 GLY HA3 H 1 4.98 0 . . . . . A 384 GLY HA3 . 17838 1 1387 . 1 1 115 115 GLY C C 13 175.92 0 . 1 . . . A 384 GLY C . 17838 1 1388 . 1 1 115 115 GLY CA C 13 47.15 0 . 1 . . . A 384 GLY CA . 17838 1 1389 . 1 1 115 115 GLY N N 15 108.4 0 . 1 . . . A 384 GLY N . 17838 1 1390 . 1 1 116 116 ALA H H 1 9.31 0 . 1 . . . A 385 ALA H . 17838 1 1391 . 1 1 116 116 ALA HA H 1 4.11 0 . 1 . . . A 385 ALA HA . 17838 1 1392 . 1 1 116 116 ALA HB1 H 1 1.46 0 . 1 . . . A 385 ALA HB1 . 17838 1 1393 . 1 1 116 116 ALA HB2 H 1 1.46 0 . 1 . . . A 385 ALA HB2 . 17838 1 1394 . 1 1 116 116 ALA HB3 H 1 1.46 0 . 1 . . . A 385 ALA HB3 . 17838 1 1395 . 1 1 116 116 ALA C C 13 179.67 0 . 1 . . . A 385 ALA C . 17838 1 1396 . 1 1 116 116 ALA CA C 13 54.31 0 . 1 . . . A 385 ALA CA . 17838 1 1397 . 1 1 116 116 ALA CB C 13 18.1 0 . 1 . . . A 385 ALA CB . 17838 1 1398 . 1 1 116 116 ALA N N 15 129.61 0 . 1 . . . A 385 ALA N . 17838 1 1399 . 1 1 117 117 GLU H H 1 8.14 0 . 1 . . . A 386 GLU H . 17838 1 1400 . 1 1 117 117 GLU HA H 1 4.11 0 . 1 . . . A 386 GLU HA . 17838 1 1401 . 1 1 117 117 GLU HB2 H 1 2.88 0 . 2 . . . A 386 GLU HB2 . 17838 1 1402 . 1 1 117 117 GLU HB3 H 1 2.44 0 . 2 . . . A 386 GLU HB3 . 17838 1 1403 . 1 1 117 117 GLU HG2 H 1 1.51 0 . 2 . . . A 386 GLU HG2 . 17838 1 1404 . 1 1 117 117 GLU HG3 H 1 1.51 0 . 2 . . . A 386 GLU HG3 . 17838 1 1405 . 1 1 117 117 GLU C C 13 175.96 0 . 1 . . . A 386 GLU C . 17838 1 1406 . 1 1 117 117 GLU CA C 13 62.45 0 . 1 . . . A 386 GLU CA . 17838 1 1407 . 1 1 117 117 GLU CB C 13 29.83 0 . 1 . . . A 386 GLU CB . 17838 1 1408 . 1 1 117 117 GLU CG C 13 40.13 0 . 1 . . . A 386 GLU CG . 17838 1 1409 . 1 1 117 117 GLU N N 15 121.72 0 . 1 . . . A 386 GLU N . 17838 1 1410 . 1 1 118 118 LEU H H 1 6.57 0 . 1 . . . A 387 LEU H . 17838 1 1411 . 1 1 118 118 LEU HA H 1 4.14 0 . 1 . . . A 387 LEU HA . 17838 1 1412 . 1 1 118 118 LEU HB2 H 1 1.18 0 . 2 . . . A 387 LEU HB2 . 17838 1 1413 . 1 1 118 118 LEU HB3 H 1 1.51 0 . 2 . . . A 387 LEU HB3 . 17838 1 1414 . 1 1 118 118 LEU HG H 1 1.54 0 . 1 . . . A 387 LEU HG . 17838 1 1415 . 1 1 118 118 LEU HD11 H 1 0.88 0 . 2 . . . A 387 LEU HD11 . 17838 1 1416 . 1 1 118 118 LEU HD12 H 1 0.88 0 . 2 . . . A 387 LEU HD12 . 17838 1 1417 . 1 1 118 118 LEU HD13 H 1 0.88 0 . 2 . . . A 387 LEU HD13 . 17838 1 1418 . 1 1 118 118 LEU C C 13 179.58 0 . 1 . . . A 387 LEU C . 17838 1 1419 . 1 1 118 118 LEU CA C 13 56.9 0 . 1 . . . A 387 LEU CA . 17838 1 1420 . 1 1 118 118 LEU CB C 13 40.27 0 . 1 . . . A 387 LEU CB . 17838 1 1421 . 1 1 118 118 LEU CD1 C 13 22.38 0 . 2 . . . A 387 LEU CD1 . 17838 1 1422 . 1 1 118 118 LEU N N 15 122.82 0 . 1 . . . A 387 LEU N . 17838 1 1423 . 1 1 119 119 ARG H H 1 8.12 0 . 1 . . . A 388 ARG H . 17838 1 1424 . 1 1 119 119 ARG HA H 1 4.09 0 . 1 . . . A 388 ARG HA . 17838 1 1425 . 1 1 119 119 ARG HB2 H 1 1.88 0 . 2 . . . A 388 ARG HB2 . 17838 1 1426 . 1 1 119 119 ARG HB3 H 1 1.85 0 . 2 . . . A 388 ARG HB3 . 17838 1 1427 . 1 1 119 119 ARG HG2 H 1 1.57 0 . 2 . . . A 388 ARG HG2 . 17838 1 1428 . 1 1 119 119 ARG HG3 H 1 1.57 0 . 2 . . . A 388 ARG HG3 . 17838 1 1429 . 1 1 119 119 ARG HD2 H 1 3.21 0 . 2 . . . A 388 ARG HD2 . 17838 1 1430 . 1 1 119 119 ARG HD3 H 1 3.21 0 . 2 . . . A 388 ARG HD3 . 17838 1 1431 . 1 1 119 119 ARG C C 13 177.24 0 . 1 . . . A 388 ARG C . 17838 1 1432 . 1 1 119 119 ARG CA C 13 59.22 0 . 1 . . . A 388 ARG CA . 17838 1 1433 . 1 1 119 119 ARG CB C 13 29.99 0 . 1 . . . A 388 ARG CB . 17838 1 1434 . 1 1 119 119 ARG CG C 13 27.01 0 . 1 . . . A 388 ARG CG . 17838 1 1435 . 1 1 119 119 ARG CD C 13 43.55 0 . 1 . . . A 388 ARG CD . 17838 1 1436 . 1 1 119 119 ARG N N 15 119.95 0 . 1 . . . A 388 ARG N . 17838 1 1437 . 1 1 120 120 HIS H H 1 7.51 0 . 1 . . . A 389 HIS H . 17838 1 1438 . 1 1 120 120 HIS HA H 1 4.56 0 . 1 . . . A 389 HIS HA . 17838 1 1439 . 1 1 120 120 HIS HB2 H 1 3.29 0 . 2 . . . A 389 HIS HB2 . 17838 1 1440 . 1 1 120 120 HIS HB3 H 1 3.29 0 . 2 . . . A 389 HIS HB3 . 17838 1 1441 . 1 1 120 120 HIS HD1 H 1 7.19 0 . 1 . . . A 389 HIS HD1 . 17838 1 1442 . 1 1 120 120 HIS HE1 H 1 8.13 0 . 1 . . . A 389 HIS HE1 . 17838 1 1443 . 1 1 120 120 HIS CA C 13 57.52 0 . 1 . . . A 389 HIS CA . 17838 1 1444 . 1 1 120 120 HIS CB C 13 32.98 0 . 1 . . . A 389 HIS CB . 17838 1 1445 . 1 1 120 120 HIS N N 15 118.04 0 . 1 . . . A 389 HIS N . 17838 1 1446 . 1 1 121 121 TRP H H 1 7.65 0 . 1 . . . A 390 TRP H . 17838 1 1447 . 1 1 121 121 TRP HA H 1 4.01 0 . 1 . . . A 390 TRP HA . 17838 1 1448 . 1 1 121 121 TRP HB2 H 1 3.05 0 . 2 . . . A 390 TRP HB2 . 17838 1 1449 . 1 1 121 121 TRP HB3 H 1 3.44 0 . 2 . . . A 390 TRP HB3 . 17838 1 1450 . 1 1 121 121 TRP HD1 H 1 7.07 0 . 1 . . . A 390 TRP HD1 . 17838 1 1451 . 1 1 121 121 TRP HE1 H 1 9.05 0 . 1 . . . A 390 TRP HE1 . 17838 1 1452 . 1 1 121 121 TRP C C 13 176.9 0 . 1 . . . A 390 TRP C . 17838 1 1453 . 1 1 121 121 TRP CA C 13 60.24 0 . 1 . . . A 390 TRP CA . 17838 1 1454 . 1 1 121 121 TRP CB C 13 30.8 0 . 1 . . . A 390 TRP CB . 17838 1 1455 . 1 1 121 121 TRP N N 15 118.7 0 . 1 . . . A 390 TRP N . 17838 1 1456 . 1 1 122 122 SER H H 1 9.06 0 . 1 . . . A 391 SER H . 17838 1 1457 . 1 1 122 122 SER HA H 1 4.01 0 . 1 . . . A 391 SER HA . 17838 1 1458 . 1 1 122 122 SER HB2 H 1 3.99 0 . 2 . . . A 391 SER HB2 . 17838 1 1459 . 1 1 122 122 SER HB3 H 1 3.98 0 . 2 . . . A 391 SER HB3 . 17838 1 1460 . 1 1 122 122 SER C C 13 177.46 0 . 1 . . . A 391 SER C . 17838 1 1461 . 1 1 122 122 SER CA C 13 61.97 0 . 1 . . . A 391 SER CA . 17838 1 1462 . 1 1 122 122 SER CB C 13 62.49 0 . 1 . . . A 391 SER CB . 17838 1 1463 . 1 1 122 122 SER N N 15 113.11 0 . 1 . . . A 391 SER N . 17838 1 1464 . 1 1 123 123 ASP H H 1 8.87 0 . 1 . . . A 392 ASP H . 17838 1 1465 . 1 1 123 123 ASP HA H 1 4.38 0 . 1 . . . A 392 ASP HA . 17838 1 1466 . 1 1 123 123 ASP HB2 H 1 3.04 0 . 2 . . . A 392 ASP HB2 . 17838 1 1467 . 1 1 123 123 ASP HB3 H 1 2.51 0 . 2 . . . A 392 ASP HB3 . 17838 1 1468 . 1 1 123 123 ASP C C 13 178.83 0 . 1 . . . A 392 ASP C . 17838 1 1469 . 1 1 123 123 ASP CA C 13 57.57 0 . 1 . . . A 392 ASP CA . 17838 1 1470 . 1 1 123 123 ASP CB C 13 40.04 0 . 1 . . . A 392 ASP CB . 17838 1 1471 . 1 1 123 123 ASP N N 15 123.98 0 . 1 . . . A 392 ASP N . 17838 1 1472 . 1 1 124 124 MET H H 1 7.96 0 . 1 . . . A 393 MET H . 17838 1 1473 . 1 1 124 124 MET HA H 1 3.97 0 . 1 . . . A 393 MET HA . 17838 1 1474 . 1 1 124 124 MET HB2 H 1 2.2 0 . 2 . . . A 393 MET HB2 . 17838 1 1475 . 1 1 124 124 MET HB3 H 1 1.67 0 . 2 . . . A 393 MET HB3 . 17838 1 1476 . 1 1 124 124 MET HG2 H 1 2.33 0 . 2 . . . A 393 MET HG2 . 17838 1 1477 . 1 1 124 124 MET HG3 H 1 1.7 0 . 2 . . . A 393 MET HG3 . 17838 1 1478 . 1 1 124 124 MET HE1 H 1 1.88 0 . . . . . A 393 MET HE1 . 17838 1 1479 . 1 1 124 124 MET HE2 H 1 1.88 0 . . . . . A 393 MET HE2 . 17838 1 1480 . 1 1 124 124 MET HE3 H 1 1.88 0 . . . . . A 393 MET HE3 . 17838 1 1481 . 1 1 124 124 MET C C 13 179 0 . 1 . . . A 393 MET C . 17838 1 1482 . 1 1 124 124 MET CA C 13 59.35 0 . 1 . . . A 393 MET CA . 17838 1 1483 . 1 1 124 124 MET CB C 13 32.59 0 . 1 . . . A 393 MET CB . 17838 1 1484 . 1 1 124 124 MET CG C 13 30.95 0 . 1 . . . A 393 MET CG . 17838 1 1485 . 1 1 124 124 MET CE C 13 18.66 0 . 1 . . . A 393 MET CE . 17838 1 1486 . 1 1 124 124 MET N N 15 121.91 0 . 1 . . . A 393 MET N . 17838 1 1487 . 1 1 125 125 LEU H H 1 7.61 0 . 1 . . . A 394 LEU H . 17838 1 1488 . 1 1 125 125 LEU HA H 1 3.89 0 . 1 . . . A 394 LEU HA . 17838 1 1489 . 1 1 125 125 LEU HB2 H 1 1.31 0 . 2 . . . A 394 LEU HB2 . 17838 1 1490 . 1 1 125 125 LEU HB3 H 1 1.66 0 . 2 . . . A 394 LEU HB3 . 17838 1 1491 . 1 1 125 125 LEU HG H 1 1.03 0 . 1 . . . A 394 LEU HG . 17838 1 1492 . 1 1 125 125 LEU HD11 H 1 0.68 0 . 2 . . . A 394 LEU HD11 . 17838 1 1493 . 1 1 125 125 LEU HD12 H 1 0.68 0 . 2 . . . A 394 LEU HD12 . 17838 1 1494 . 1 1 125 125 LEU HD13 H 1 0.68 0 . 2 . . . A 394 LEU HD13 . 17838 1 1495 . 1 1 125 125 LEU HD21 H 1 0.38 0 . 2 . . . A 394 LEU HD21 . 17838 1 1496 . 1 1 125 125 LEU HD22 H 1 0.38 0 . 2 . . . A 394 LEU HD22 . 17838 1 1497 . 1 1 125 125 LEU HD23 H 1 0.38 0 . 2 . . . A 394 LEU HD23 . 17838 1 1498 . 1 1 125 125 LEU C C 13 178.17 0 . 1 . . . A 394 LEU C . 17838 1 1499 . 1 1 125 125 LEU CA C 13 56.88 0 . 1 . . . A 394 LEU CA . 17838 1 1500 . 1 1 125 125 LEU CB C 13 41.73 0 . 1 . . . A 394 LEU CB . 17838 1 1501 . 1 1 125 125 LEU CG C 13 26 0 . 1 . . . A 394 LEU CG . 17838 1 1502 . 1 1 125 125 LEU CD1 C 13 26.22 0 . 2 . . . A 394 LEU CD1 . 17838 1 1503 . 1 1 125 125 LEU CD2 C 13 22.92 0 . 2 . . . A 394 LEU CD2 . 17838 1 1504 . 1 1 125 125 LEU N N 15 118.5 0 . 1 . . . A 394 LEU N . 17838 1 1505 . 1 1 126 126 ALA H H 1 7.85 0 . 1 . . . A 395 ALA H . 17838 1 1506 . 1 1 126 126 ALA HA H 1 4.22 0 . 1 . . . A 395 ALA HA . 17838 1 1507 . 1 1 126 126 ALA HB1 H 1 1.44 0 . 1 . . . A 395 ALA HB1 . 17838 1 1508 . 1 1 126 126 ALA HB2 H 1 1.44 0 . 1 . . . A 395 ALA HB2 . 17838 1 1509 . 1 1 126 126 ALA HB3 H 1 1.44 0 . 1 . . . A 395 ALA HB3 . 17838 1 1510 . 1 1 126 126 ALA C C 13 176.77 0 . 1 . . . A 395 ALA C . 17838 1 1511 . 1 1 126 126 ALA CA C 13 52.85 0 . 1 . . . A 395 ALA CA . 17838 1 1512 . 1 1 126 126 ALA CB C 13 19.46 0 . 1 . . . A 395 ALA CB . 17838 1 1513 . 1 1 126 126 ALA N N 15 118.6 0 . 1 . . . A 395 ALA N . 17838 1 1514 . 1 1 127 127 ASN H H 1 7.15 0 . 1 . . . A 396 ASN H . 17838 1 1515 . 1 1 127 127 ASN HA H 1 5.1 0 . 1 . . . A 396 ASN HA . 17838 1 1516 . 1 1 127 127 ASN HB2 H 1 2.71 0 . 2 . . . A 396 ASN HB2 . 17838 1 1517 . 1 1 127 127 ASN HB3 H 1 2.5 0 . 2 . . . A 396 ASN HB3 . 17838 1 1518 . 1 1 127 127 ASN HD21 H 1 8.19 0 . 2 . . . A 396 ASN HD21 . 17838 1 1519 . 1 1 127 127 ASN CA C 13 51.11 0 . 1 . . . A 396 ASN CA . 17838 1 1520 . 1 1 127 127 ASN CB C 13 40.74 0 . 1 . . . A 396 ASN CB . 17838 1 1521 . 1 1 127 127 ASN N N 15 115.84 0 . 1 . . . A 396 ASN N . 17838 1 1522 . 1 1 128 128 PRO HA H 1 4.75 0 . 1 . . . A 397 PRO HA . 17838 1 1523 . 1 1 128 128 PRO HB2 H 1 2.37 0 . 2 . . . A 397 PRO HB2 . 17838 1 1524 . 1 1 128 128 PRO HB3 H 1 2.05 0 . 2 . . . A 397 PRO HB3 . 17838 1 1525 . 1 1 128 128 PRO HG2 H 1 2.13 0 . 2 . . . A 397 PRO HG2 . 17838 1 1526 . 1 1 128 128 PRO HG3 H 1 2.04 0 . 2 . . . A 397 PRO HG3 . 17838 1 1527 . 1 1 128 128 PRO HD2 H 1 3.68 0 . 2 . . . A 397 PRO HD2 . 17838 1 1528 . 1 1 128 128 PRO HD3 H 1 3.48 0 . 2 . . . A 397 PRO HD3 . 17838 1 1529 . 1 1 128 128 PRO C C 13 177.39 0 . 1 . . . A 397 PRO C . 17838 1 1530 . 1 1 128 128 PRO CA C 13 63.91 0 . 1 . . . A 397 PRO CA . 17838 1 1531 . 1 1 128 128 PRO CB C 13 32.25 0 . 1 . . . A 397 PRO CB . 17838 1 1532 . 1 1 129 129 ARG H H 1 8.3 0 . 1 . . . A 398 ARG H . 17838 1 1533 . 1 1 129 129 ARG HA H 1 3.53 0 . 1 . . . A 398 ARG HA . 17838 1 1534 . 1 1 129 129 ARG HB2 H 1 2.28 0 . 2 . . . A 398 ARG HB2 . 17838 1 1535 . 1 1 129 129 ARG HB3 H 1 2.26 0 . 2 . . . A 398 ARG HB3 . 17838 1 1536 . 1 1 129 129 ARG HG2 H 1 1.57 0 . 2 . . . A 398 ARG HG2 . 17838 1 1537 . 1 1 129 129 ARG HG3 H 1 1.57 0 . 2 . . . A 398 ARG HG3 . 17838 1 1538 . 1 1 129 129 ARG HD2 H 1 3.24 0 . 2 . . . A 398 ARG HD2 . 17838 1 1539 . 1 1 129 129 ARG HD3 H 1 3.19 0 . 2 . . . A 398 ARG HD3 . 17838 1 1540 . 1 1 129 129 ARG C C 13 174.88 0 . 1 . . . A 398 ARG C . 17838 1 1541 . 1 1 129 129 ARG CA C 13 58.75 0 . 1 . . . A 398 ARG CA . 17838 1 1542 . 1 1 129 129 ARG CB C 13 29.04 0 . 1 . . . A 398 ARG CB . 17838 1 1543 . 1 1 129 129 ARG CG C 13 28.48 0 . 1 . . . A 398 ARG CG . 17838 1 1544 . 1 1 129 129 ARG CD C 13 43.71 0 . 1 . . . A 398 ARG CD . 17838 1 1545 . 1 1 129 129 ARG N N 15 111.56 0 . 1 . . . A 398 ARG N . 17838 1 1546 . 1 1 130 130 ARG H H 1 7.98 0 . 1 . . . A 399 ARG H . 17838 1 1547 . 1 1 130 130 ARG HA H 1 4.8 0 . 1 . . . A 399 ARG HA . 17838 1 1548 . 1 1 130 130 ARG HB2 H 1 1.76 0 . 2 . . . A 399 ARG HB2 . 17838 1 1549 . 1 1 130 130 ARG HB3 H 1 1.79 0 . 2 . . . A 399 ARG HB3 . 17838 1 1550 . 1 1 130 130 ARG HG2 H 1 1.62 0 . 2 . . . A 399 ARG HG2 . 17838 1 1551 . 1 1 130 130 ARG HG3 H 1 1.54 0 . 2 . . . A 399 ARG HG3 . 17838 1 1552 . 1 1 130 130 ARG HD2 H 1 3.14 0 . 2 . . . A 399 ARG HD2 . 17838 1 1553 . 1 1 130 130 ARG HD3 H 1 3.14 0 . 2 . . . A 399 ARG HD3 . 17838 1 1554 . 1 1 130 130 ARG CA C 13 53.05 0 . 1 . . . A 399 ARG CA . 17838 1 1555 . 1 1 130 130 ARG CB C 13 31.42 0 . 1 . . . A 399 ARG CB . 17838 1 1556 . 1 1 130 130 ARG N N 15 120.84 0 . 1 . . . A 399 ARG N . 17838 1 1557 . 1 1 131 131 PRO HA H 1 4.81 0 . 1 . . . A 400 PRO HA . 17838 1 1558 . 1 1 131 131 PRO HB2 H 1 1.9 0 . 2 . . . A 400 PRO HB2 . 17838 1 1559 . 1 1 131 131 PRO HB3 H 1 1.74 0 . 2 . . . A 400 PRO HB3 . 17838 1 1560 . 1 1 131 131 PRO HG2 H 1 2.29 0 . 2 . . . A 400 PRO HG2 . 17838 1 1561 . 1 1 131 131 PRO HG3 H 1 2.05 0 . 2 . . . A 400 PRO HG3 . 17838 1 1562 . 1 1 131 131 PRO HD2 H 1 3.72 0 . 2 . . . A 400 PRO HD2 . 17838 1 1563 . 1 1 131 131 PRO HD3 H 1 3.72 0 . 2 . . . A 400 PRO HD3 . 17838 1 1564 . 1 1 131 131 PRO C C 13 176.61 0 . 1 . . . A 400 PRO C . 17838 1 1565 . 1 1 131 131 PRO CA C 13 61.49 0 . 1 . . . A 400 PRO CA . 17838 1 1566 . 1 1 131 131 PRO CB C 13 43.56 0 . 1 . . . A 400 PRO CB3 . 17838 1 1567 . 1 1 131 131 PRO CG C 13 27.23 0 . 1 . . . A 400 PRO CG . 17838 1 1568 . 1 1 132 132 ILE H H 1 9 0 . 1 . . . A 401 ILE H . 17838 1 1569 . 1 1 132 132 ILE HA H 1 4.53 0 . 1 . . . A 401 ILE HA . 17838 1 1570 . 1 1 132 132 ILE HB H 1 2.02 0 . 1 . . . A 401 ILE HB . 17838 1 1571 . 1 1 132 132 ILE HG12 H 1 1.66 0 . 2 . . . A 401 ILE HG12 . 17838 1 1572 . 1 1 132 132 ILE HG13 H 1 1.21 0 . 2 . . . A 401 ILE HG13 . 17838 1 1573 . 1 1 132 132 ILE HG21 H 1 0.95 0 . 1 . . . A 401 ILE HG21 . 17838 1 1574 . 1 1 132 132 ILE HG22 H 1 0.95 0 . 1 . . . A 401 ILE HG22 . 17838 1 1575 . 1 1 132 132 ILE HG23 H 1 0.95 0 . 1 . . . A 401 ILE HG23 . 17838 1 1576 . 1 1 132 132 ILE HD11 H 1 0.69 0 . 1 . . . A 401 ILE HD11 . 17838 1 1577 . 1 1 132 132 ILE HD12 H 1 0.69 0 . 1 . . . A 401 ILE HD12 . 17838 1 1578 . 1 1 132 132 ILE HD13 H 1 0.69 0 . 1 . . . A 401 ILE HD13 . 17838 1 1579 . 1 1 132 132 ILE C C 13 176.48 0 . 1 . . . A 401 ILE C . 17838 1 1580 . 1 1 132 132 ILE CA C 13 58.36 0 . 1 . . . A 401 ILE CA . 17838 1 1581 . 1 1 132 132 ILE CB C 13 39.25 0 . 1 . . . A 401 ILE CB . 17838 1 1582 . 1 1 132 132 ILE CG1 C 13 26 0 . 1 . . . A 401 ILE CG1 . 17838 1 1583 . 1 1 132 132 ILE CG2 C 13 18 0 . 1 . . . A 401 ILE CG2 . 17838 1 1584 . 1 1 132 132 ILE CD1 C 13 10.69 0 . . . . . A 401 ILE CD1 . 17838 1 1585 . 1 1 132 132 ILE N N 15 123.9 0 . 1 . . . A 401 ILE N . 17838 1 1586 . 1 1 133 133 ALA H H 1 9.56 0 . 1 . . . A 402 ALA H . 17838 1 1587 . 1 1 133 133 ALA HA H 1 4.92 0 . 1 . . . A 402 ALA HA . 17838 1 1588 . 1 1 133 133 ALA HB1 H 1 1.01 0 . 1 . . . A 402 ALA HB1 . 17838 1 1589 . 1 1 133 133 ALA HB2 H 1 1.01 0 . 1 . . . A 402 ALA HB2 . 17838 1 1590 . 1 1 133 133 ALA HB3 H 1 1.01 0 . 1 . . . A 402 ALA HB3 . 17838 1 1591 . 1 1 133 133 ALA C C 13 175.26 0 . 1 . . . A 402 ALA C . 17838 1 1592 . 1 1 133 133 ALA CA C 13 51.09 0 . 1 . . . A 402 ALA CA . 17838 1 1593 . 1 1 133 133 ALA CB C 13 20.36 0 . 1 . . . A 402 ALA CB . 17838 1 1594 . 1 1 133 133 ALA N N 15 137.83 0 . 1 . . . A 402 ALA N . 17838 1 1595 . 1 1 134 134 GLN H H 1 7.62 0 . 1 . . . A 403 GLN H . 17838 1 1596 . 1 1 134 134 GLN HA H 1 4.02 0 . 1 . . . A 403 GLN HA . 17838 1 1597 . 1 1 134 134 GLN HB2 H 1 0.69 0 . 2 . . . A 403 GLN HB2 . 17838 1 1598 . 1 1 134 134 GLN HB3 H 1 0.71 0 . 2 . . . A 403 GLN HB3 . 17838 1 1599 . 1 1 134 134 GLN HG2 H 1 2.14 0 . 2 . . . A 403 GLN HG2 . 17838 1 1600 . 1 1 134 134 GLN HG3 H 1 1.66 0 . 2 . . . A 403 GLN HG3 . 17838 1 1601 . 1 1 134 134 GLN HE21 H 1 6.52 0 . 2 . . . A 403 GLN HE21 . 17838 1 1602 . 1 1 134 134 GLN HE22 H 1 6.45 0 . 2 . . . A 403 GLN HE22 . 17838 1 1603 . 1 1 134 134 GLN C C 13 173.7 0 . 1 . . . A 403 GLN C . 17838 1 1604 . 1 1 134 134 GLN CA C 13 55.05 0 . 1 . . . A 403 GLN CA . 17838 1 1605 . 1 1 134 134 GLN CB C 13 32.66 0 . 1 . . . A 403 GLN CB . 17838 1 1606 . 1 1 134 134 GLN CG C 13 33.86 0 . 1 . . . A 403 GLN CG . 17838 1 1607 . 1 1 134 134 GLN N N 15 119.73 0 . 1 . . . A 403 GLN N . 17838 1 1608 . 1 1 135 135 TRP H H 1 8.31 0 . 1 . . . A 404 TRP H . 17838 1 1609 . 1 1 135 135 TRP HA H 1 4.51 0 . 1 . . . A 404 TRP HA . 17838 1 1610 . 1 1 135 135 TRP HB2 H 1 3.11 0 . 2 . . . A 404 TRP HB2 . 17838 1 1611 . 1 1 135 135 TRP HB3 H 1 2.79 0 . 2 . . . A 404 TRP HB3 . 17838 1 1612 . 1 1 135 135 TRP HD1 H 1 7.21 0 . 1 . . . A 404 TRP HD1 . 17838 1 1613 . 1 1 135 135 TRP HE1 H 1 10.33 0 . 1 . . . A 404 TRP HE1 . 17838 1 1614 . 1 1 135 135 TRP HE3 H 1 7.22 0 . . . . . A 404 TRP HE3 . 17838 1 1615 . 1 1 135 135 TRP HZ2 H 1 7.64 0 . . . . . A 404 TRP HZ2 . 17838 1 1616 . 1 1 135 135 TRP C C 13 176.28 0 . 1 . . . A 404 TRP C . 17838 1 1617 . 1 1 135 135 TRP CA C 13 57.88 0 . 1 . . . A 404 TRP CA . 17838 1 1618 . 1 1 135 135 TRP CB C 13 30.11 0 . 1 . . . A 404 TRP CB . 17838 1 1619 . 1 1 135 135 TRP N N 15 123.42 0 . 1 . . . A 404 TRP N . 17838 1 1620 . 1 1 136 136 HIS H H 1 9.47 0 . 1 . . . A 405 HIS H . 17838 1 1621 . 1 1 136 136 HIS HA H 1 4.81 0 . 1 . . . A 405 HIS HA . 17838 1 1622 . 1 1 136 136 HIS HB2 H 1 3.06 0 . 2 . . . A 405 HIS HB2 . 17838 1 1623 . 1 1 136 136 HIS HB3 H 1 2.73 0 . 2 . . . A 405 HIS HB3 . 17838 1 1624 . 1 1 136 136 HIS HD1 H 1 6.25 0 . 1 . . . A 405 HIS HD1 . 17838 1 1625 . 1 1 136 136 HIS HE1 H 1 8.27 0 . 1 . . . A 405 HIS HE1 . 17838 1 1626 . 1 1 136 136 HIS C C 13 173.49 0 . 1 . . . A 405 HIS C . 17838 1 1627 . 1 1 136 136 HIS CA C 13 55.16 0 . 1 . . . A 405 HIS CA . 17838 1 1628 . 1 1 136 136 HIS CB C 13 33.41 0 . 1 . . . A 405 HIS CB . 17838 1 1629 . 1 1 136 136 HIS N N 15 117.21 0 . 1 . . . A 405 HIS N . 17838 1 1630 . 1 1 137 137 THR H H 1 9.43 0 . 1 . . . A 406 THR H . 17838 1 1631 . 1 1 137 137 THR HA H 1 4.84 0 . 1 . . . A 406 THR HA . 17838 1 1632 . 1 1 137 137 THR HB H 1 3.93 0 . 1 . . . A 406 THR HB . 17838 1 1633 . 1 1 137 137 THR HG21 H 1 1.35 0 . 1 . . . A 406 THR HG21 . 17838 1 1634 . 1 1 137 137 THR HG22 H 1 1.35 0 . 1 . . . A 406 THR HG22 . 17838 1 1635 . 1 1 137 137 THR HG23 H 1 1.35 0 . 1 . . . A 406 THR HG23 . 17838 1 1636 . 1 1 137 137 THR C C 13 174.35 0 . 1 . . . A 406 THR C . 17838 1 1637 . 1 1 137 137 THR CA C 13 62.65 0 . 1 . . . A 406 THR CA . 17838 1 1638 . 1 1 137 137 THR CB C 13 70.33 0 . 1 . . . A 406 THR CB . 17838 1 1639 . 1 1 137 137 THR CG2 C 13 22.41 0 . . . . . A 406 THR CG2 . 17838 1 1640 . 1 1 137 137 THR N N 15 122.78 0 . 1 . . . A 406 THR N . 17838 1 1641 . 1 1 138 138 LEU H H 1 8.73 0 . 1 . . . A 407 LEU H . 17838 1 1642 . 1 1 138 138 LEU HA H 1 3.91 0 . 1 . . . A 407 LEU HA . 17838 1 1643 . 1 1 138 138 LEU HB2 H 1 0.85 0 . 2 . . . A 407 LEU HB2 . 17838 1 1644 . 1 1 138 138 LEU HB3 H 1 1.81 0 . 2 . . . A 407 LEU HB3 . 17838 1 1645 . 1 1 138 138 LEU HG H 1 1.41 0 . 1 . . . A 407 LEU HG . 17838 1 1646 . 1 1 138 138 LEU HD11 H 1 0.44 0 . 2 . . . A 407 LEU HD11 . 17838 1 1647 . 1 1 138 138 LEU HD12 H 1 0.44 0 . 2 . . . A 407 LEU HD12 . 17838 1 1648 . 1 1 138 138 LEU HD13 H 1 0.44 0 . 2 . . . A 407 LEU HD13 . 17838 1 1649 . 1 1 138 138 LEU HD21 H 1 0.55 0 . 2 . . . A 407 LEU HD21 . 17838 1 1650 . 1 1 138 138 LEU HD22 H 1 0.55 0 . 2 . . . A 407 LEU HD22 . 17838 1 1651 . 1 1 138 138 LEU HD23 H 1 0.55 0 . 2 . . . A 407 LEU HD23 . 17838 1 1652 . 1 1 138 138 LEU C C 13 175.48 0 . 1 . . . A 407 LEU C . 17838 1 1653 . 1 1 138 138 LEU CA C 13 55.95 0 . 1 . . . A 407 LEU CA . 17838 1 1654 . 1 1 138 138 LEU CB C 13 43.05 0 . 1 . . . A 407 LEU CB . 17838 1 1655 . 1 1 138 138 LEU CG C 13 27.06 0 . 1 . . . A 407 LEU CG . 17838 1 1656 . 1 1 138 138 LEU CD1 C 13 25.28 0 . 2 . . . A 407 LEU CD1 . 17838 1 1657 . 1 1 138 138 LEU N N 15 124.89 0 . 1 . . . A 407 LEU N . 17838 1 1658 . 1 1 139 139 GLN H H 1 8.47 0 . 1 . . . A 408 GLN H . 17838 1 1659 . 1 1 139 139 GLN HA H 1 4.68 0 . 1 . . . A 408 GLN HA . 17838 1 1660 . 1 1 139 139 GLN HB2 H 1 2.06 0 . 2 . . . A 408 GLN HB2 . 17838 1 1661 . 1 1 139 139 GLN HB3 H 1 1.92 0 . 2 . . . A 408 GLN HB3 . 17838 1 1662 . 1 1 139 139 GLN HG2 H 1 2.4 0 . 2 . . . A 408 GLN HG2 . 17838 1 1663 . 1 1 139 139 GLN HG3 H 1 2.4 0 . 2 . . . A 408 GLN HG3 . 17838 1 1664 . 1 1 139 139 GLN HE21 H 1 7.53 0 . 2 . . . A 408 GLN HE21 . 17838 1 1665 . 1 1 139 139 GLN HE22 H 1 6.73 0 . 2 . . . A 408 GLN HE22 . 17838 1 1666 . 1 1 139 139 GLN C C 13 175.1 0 . 1 . . . A 408 GLN C . 17838 1 1667 . 1 1 139 139 GLN CA C 13 53.83 0 . 1 . . . A 408 GLN CA . 17838 1 1668 . 1 1 139 139 GLN CB C 13 32.15 0 . 1 . . . A 408 GLN CB . 17838 1 1669 . 1 1 139 139 GLN CG C 13 33.74 0 . 1 . . . A 408 GLN CG . 17838 1 1670 . 1 1 139 139 GLN N N 15 119.63 0 . 1 . . . A 408 GLN N . 17838 1 1671 . 1 1 140 140 VAL H H 1 8.41 0 . 1 . . . A 409 VAL H . 17838 1 1672 . 1 1 140 140 VAL HA H 1 3.85 0 . 1 . . . A 409 VAL HA . 17838 1 1673 . 1 1 140 140 VAL HB H 1 2.02 0 . 1 . . . A 409 VAL HB . 17838 1 1674 . 1 1 140 140 VAL HG11 H 1 1.1 0 . 2 . . . A 409 VAL HG11 . 17838 1 1675 . 1 1 140 140 VAL HG12 H 1 1.1 0 . 2 . . . A 409 VAL HG12 . 17838 1 1676 . 1 1 140 140 VAL HG13 H 1 1.1 0 . 2 . . . A 409 VAL HG13 . 17838 1 1677 . 1 1 140 140 VAL HG21 H 1 1.13 0 . 2 . . . A 409 VAL HG21 . 17838 1 1678 . 1 1 140 140 VAL HG22 H 1 1.13 0 . 2 . . . A 409 VAL HG22 . 17838 1 1679 . 1 1 140 140 VAL HG23 H 1 1.13 0 . 2 . . . A 409 VAL HG23 . 17838 1 1680 . 1 1 140 140 VAL C C 13 178.02 0 . 1 . . . A 409 VAL C . 17838 1 1681 . 1 1 140 140 VAL CA C 13 63.13 0 . 1 . . . A 409 VAL CA . 17838 1 1682 . 1 1 140 140 VAL CB C 13 32.5 0 . 1 . . . A 409 VAL CB . 17838 1 1683 . 1 1 140 140 VAL CG1 C 13 22.09 0 . 2 . . . A 409 VAL CG1 . 17838 1 1684 . 1 1 140 140 VAL CG2 C 13 22.09 0 . 2 . . . A 409 VAL CG2 . 17838 1 1685 . 1 1 140 140 VAL N N 15 119.82 0 . 1 . . . A 409 VAL N . 17838 1 1686 . 1 1 141 141 GLU H H 1 8.94 0 . 1 . . . A 410 GLU H . 17838 1 1687 . 1 1 141 141 GLU HA H 1 3.49 0 . 1 . . . A 410 GLU HA . 17838 1 1688 . 1 1 141 141 GLU HB2 H 1 1.93 0 . 2 . . . A 410 GLU HB2 . 17838 1 1689 . 1 1 141 141 GLU HB3 H 1 1.8 0 . 2 . . . A 410 GLU HB3 . 17838 1 1690 . 1 1 141 141 GLU HG2 H 1 1.99 0 . 2 . . . A 410 GLU HG2 . 17838 1 1691 . 1 1 141 141 GLU HG3 H 1 1.99 0 . 2 . . . A 410 GLU HG3 . 17838 1 1692 . 1 1 141 141 GLU C C 13 176.85 0 . 1 . . . A 410 GLU C . 17838 1 1693 . 1 1 141 141 GLU CA C 13 60.61 0 . 1 . . . A 410 GLU CA . 17838 1 1694 . 1 1 141 141 GLU CB C 13 29.53 0 . 1 . . . A 410 GLU CB . 17838 1 1695 . 1 1 141 141 GLU CG C 13 35 0 . 1 . . . A 410 GLU CG . 17838 1 1696 . 1 1 141 141 GLU N N 15 127.17 0 . 1 . . . A 410 GLU N . 17838 1 1697 . 1 1 142 142 GLU H H 1 9.07 0 . 1 . . . A 411 GLU H . 17838 1 1698 . 1 1 142 142 GLU HA H 1 3.95 0 . 1 . . . A 411 GLU HA . 17838 1 1699 . 1 1 142 142 GLU HB2 H 1 1.92 0 . 2 . . . A 411 GLU HB2 . 17838 1 1700 . 1 1 142 142 GLU HB3 H 1 1.92 0 . 2 . . . A 411 GLU HB3 . 17838 1 1701 . 1 1 142 142 GLU HG2 H 1 2.27 0 . 2 . . . A 411 GLU HG2 . 17838 1 1702 . 1 1 142 142 GLU HG3 H 1 2.24 0 . 2 . . . A 411 GLU HG3 . 17838 1 1703 . 1 1 142 142 GLU C C 13 179.05 0 . 1 . . . A 411 GLU C . 17838 1 1704 . 1 1 142 142 GLU CA C 13 59.92 0 . 1 . . . A 411 GLU CA . 17838 1 1705 . 1 1 142 142 GLU CB C 13 28.94 0 . 1 . . . A 411 GLU CB . 17838 1 1706 . 1 1 142 142 GLU CG C 13 36.31 0 . 1 . . . A 411 GLU CG . 17838 1 1707 . 1 1 142 142 GLU N N 15 115.78 0 . 1 . . . A 411 GLU N . 17838 1 1708 . 1 1 143 143 GLU H H 1 7.08 0 . 1 . . . A 412 GLU H . 17838 1 1709 . 1 1 143 143 GLU HA H 1 4.05 0 . 1 . . . A 412 GLU HA . 17838 1 1710 . 1 1 143 143 GLU HB2 H 1 2.09 0 . 2 . . . A 412 GLU HB2 . 17838 1 1711 . 1 1 143 143 GLU HB3 H 1 2.09 0 . 2 . . . A 412 GLU HB3 . 17838 1 1712 . 1 1 143 143 GLU HG2 H 1 2.2 0 . 2 . . . A 412 GLU HG2 . 17838 1 1713 . 1 1 143 143 GLU HG3 H 1 2.2 0 . 2 . . . A 412 GLU HG3 . 17838 1 1714 . 1 1 143 143 GLU C C 13 178.87 0 . 1 . . . A 412 GLU C . 17838 1 1715 . 1 1 143 143 GLU CA C 13 58.59 0 . 1 . . . A 412 GLU CA . 17838 1 1716 . 1 1 143 143 GLU CB C 13 29.19 0 . 1 . . . A 412 GLU CB . 17838 1 1717 . 1 1 143 143 GLU CG C 13 36.31 0 . 1 . . . A 412 GLU CG . 17838 1 1718 . 1 1 143 143 GLU N N 15 118.52 0 . 1 . . . A 412 GLU N . 17838 1 1719 . 1 1 144 144 VAL H H 1 7.55 0 . 1 . . . A 413 VAL H . 17838 1 1720 . 1 1 144 144 VAL HA H 1 3.68 0 . 1 . . . A 413 VAL HA . 17838 1 1721 . 1 1 144 144 VAL HB H 1 1.67 0 . 1 . . . A 413 VAL HB . 17838 1 1722 . 1 1 144 144 VAL HG11 H 1 0.86 0 . 2 . . . A 413 VAL HG11 . 17838 1 1723 . 1 1 144 144 VAL HG12 H 1 0.86 0 . 2 . . . A 413 VAL HG12 . 17838 1 1724 . 1 1 144 144 VAL HG13 H 1 0.86 0 . 2 . . . A 413 VAL HG13 . 17838 1 1725 . 1 1 144 144 VAL HG21 H 1 0.9 0 . 2 . . . A 413 VAL HG21 . 17838 1 1726 . 1 1 144 144 VAL HG22 H 1 0.9 0 . 2 . . . A 413 VAL HG22 . 17838 1 1727 . 1 1 144 144 VAL HG23 H 1 0.9 0 . 2 . . . A 413 VAL HG23 . 17838 1 1728 . 1 1 144 144 VAL C C 13 177.97 0 . 1 . . . A 413 VAL C . 17838 1 1729 . 1 1 144 144 VAL CA C 13 66.14 0 . 1 . . . A 413 VAL CA . 17838 1 1730 . 1 1 144 144 VAL CB C 13 31.62 0 . 1 . . . A 413 VAL CB . 17838 1 1731 . 1 1 144 144 VAL CG1 C 13 21.89 0 . 2 . . . A 413 VAL CG1 . 17838 1 1732 . 1 1 144 144 VAL CG2 C 13 23.56 0 . 2 . . . A 413 VAL CG2 . 17838 1 1733 . 1 1 144 144 VAL N N 15 121.11 0 . 1 . . . A 413 VAL N . 17838 1 1734 . 1 1 145 145 ASP H H 1 8.66 0 . 1 . . . A 414 ASP H . 17838 1 1735 . 1 1 145 145 ASP HA H 1 4.02 0 . 1 . . . A 414 ASP HA . 17838 1 1736 . 1 1 145 145 ASP HB2 H 1 2.41 0 . 2 . . . A 414 ASP HB2 . 17838 1 1737 . 1 1 145 145 ASP HB3 H 1 2.41 0 . 2 . . . A 414 ASP HB3 . 17838 1 1738 . 1 1 145 145 ASP C C 13 178.91 0 . 1 . . . A 414 ASP C . 17838 1 1739 . 1 1 145 145 ASP CA C 13 57.62 0 . 1 . . . A 414 ASP CA . 17838 1 1740 . 1 1 145 145 ASP CB C 13 38.69 0 . 1 . . . A 414 ASP CB . 17838 1 1741 . 1 1 145 145 ASP N N 15 120.04 0 . 1 . . . A 414 ASP N . 17838 1 1742 . 1 1 146 146 ALA H H 1 7.27 0 . 1 . . . A 415 ALA H . 17838 1 1743 . 1 1 146 146 ALA HA H 1 4.02 0 . 1 . . . A 415 ALA HA . 17838 1 1744 . 1 1 146 146 ALA HB1 H 1 1.37 0 . 1 . . . A 415 ALA HB1 . 17838 1 1745 . 1 1 146 146 ALA HB2 H 1 1.37 0 . 1 . . . A 415 ALA HB2 . 17838 1 1746 . 1 1 146 146 ALA HB3 H 1 1.37 0 . 1 . . . A 415 ALA HB3 . 17838 1 1747 . 1 1 146 146 ALA C C 13 179.93 0 . 1 . . . A 415 ALA C . 17838 1 1748 . 1 1 146 146 ALA CA C 13 54.82 0 . 1 . . . A 415 ALA CA . 17838 1 1749 . 1 1 146 146 ALA CB C 13 17.91 0 . 1 . . . A 415 ALA CB . 17838 1 1750 . 1 1 146 146 ALA N N 15 121.01 0 . 1 . . . A 415 ALA N . 17838 1 1751 . 1 1 147 147 MET H H 1 7.41 0 . 1 . . . A 416 MET H . 17838 1 1752 . 1 1 147 147 MET HA H 1 4.15 0 . 1 . . . A 416 MET HA . 17838 1 1753 . 1 1 147 147 MET HB2 H 1 2.31 0 . 2 . . . A 416 MET HB2 . 17838 1 1754 . 1 1 147 147 MET HB3 H 1 2.13 0 . 2 . . . A 416 MET HB3 . 17838 1 1755 . 1 1 147 147 MET HG2 H 1 2.78 0 . 2 . . . A 416 MET HG2 . 17838 1 1756 . 1 1 147 147 MET HG3 H 1 2.61 0 . 2 . . . A 416 MET HG3 . 17838 1 1757 . 1 1 147 147 MET HE1 H 1 2.32 0 . . . . . A 416 MET HE1 . 17838 1 1758 . 1 1 147 147 MET HE2 H 1 2.32 0 . . . . . A 416 MET HE2 . 17838 1 1759 . 1 1 147 147 MET HE3 H 1 2.32 0 . . . . . A 416 MET HE3 . 17838 1 1760 . 1 1 147 147 MET C C 13 177.99 0 . 1 . . . A 416 MET C . 17838 1 1761 . 1 1 147 147 MET CA C 13 57.6 0 . 1 . . . A 416 MET CA . 17838 1 1762 . 1 1 147 147 MET CB C 13 33.14 0 . 1 . . . A 416 MET CB . 17838 1 1763 . 1 1 147 147 MET CG C 13 32.24 0 . 1 . . . A 416 MET CG . 17838 1 1764 . 1 1 147 147 MET CE C 13 18.07 0 . 1 . . . A 416 MET CE . 17838 1 1765 . 1 1 147 147 MET N N 15 116.98 0 . 1 . . . A 416 MET N . 17838 1 1766 . 1 1 148 148 LEU H H 1 7.56 0 . 1 . . . A 417 LEU H . 17838 1 1767 . 1 1 148 148 LEU HA H 1 3.54 0 . 1 . . . A 417 LEU HA . 17838 1 1768 . 1 1 148 148 LEU HB2 H 1 1.01 0 . 2 . . . A 417 LEU HB2 . 17838 1 1769 . 1 1 148 148 LEU HB3 H 1 1.41 0 . 2 . . . A 417 LEU HB3 . 17838 1 1770 . 1 1 148 148 LEU HG H 1 1.01 0 . 1 . . . A 417 LEU HG . 17838 1 1771 . 1 1 148 148 LEU HD11 H 1 0.32 0 . 2 . . . A 417 LEU HD11 . 17838 1 1772 . 1 1 148 148 LEU HD12 H 1 0.32 0 . 2 . . . A 417 LEU HD12 . 17838 1 1773 . 1 1 148 148 LEU HD13 H 1 0.32 0 . 2 . . . A 417 LEU HD13 . 17838 1 1774 . 1 1 148 148 LEU HD21 H 1 -0.47 0 . 2 . . . A 417 LEU HD21 . 17838 1 1775 . 1 1 148 148 LEU HD22 H 1 -0.47 0 . 2 . . . A 417 LEU HD22 . 17838 1 1776 . 1 1 148 148 LEU HD23 H 1 -0.47 0 . 2 . . . A 417 LEU HD23 . 17838 1 1777 . 1 1 148 148 LEU C C 13 176.81 0 . 1 . . . A 417 LEU C . 17838 1 1778 . 1 1 148 148 LEU CA C 13 55.67 0 . 1 . . . A 417 LEU CA . 17838 1 1779 . 1 1 148 148 LEU CB C 13 42.65 0 . 1 . . . A 417 LEU CB . 17838 1 1780 . 1 1 148 148 LEU CG C 13 26.12 0 . 1 . . . A 417 LEU CG . 17838 1 1781 . 1 1 148 148 LEU CD1 C 13 25.96 0 . 2 . . . A 417 LEU CD1 . 17838 1 1782 . 1 1 148 148 LEU CD2 C 13 21.34 0 . 2 . . . A 417 LEU CD2 . 17838 1 1783 . 1 1 148 148 LEU N N 15 118.55 0 . 1 . . . A 417 LEU N . 17838 1 1784 . 1 1 149 149 ALA H H 1 7.08 0 . 1 . . . A 418 ALA H . 17838 1 1785 . 1 1 149 149 ALA HA H 1 4.01 0 . 1 . . . A 418 ALA HA . 17838 1 1786 . 1 1 149 149 ALA HB1 H 1 1.22 0 . 1 . . . A 418 ALA HB1 . 17838 1 1787 . 1 1 149 149 ALA HB2 H 1 1.22 0 . 1 . . . A 418 ALA HB2 . 17838 1 1788 . 1 1 149 149 ALA HB3 H 1 1.22 0 . 1 . . . A 418 ALA HB3 . 17838 1 1789 . 1 1 149 149 ALA C C 13 177.01 0 . 1 . . . A 418 ALA C . 17838 1 1790 . 1 1 149 149 ALA CA C 13 52.31 0 . 1 . . . A 418 ALA CA . 17838 1 1791 . 1 1 149 149 ALA CB C 13 18.7 0 . 1 . . . A 418 ALA CB . 17838 1 1792 . 1 1 149 149 ALA N N 15 119.94 0 . 1 . . . A 418 ALA N . 17838 1 1793 . 1 1 150 150 VAL H H 1 7.56 0 . 1 . . . A 419 VAL H . 17838 1 1794 . 1 1 150 150 VAL HA H 1 3.84 0 . 1 . . . A 419 VAL HA . 17838 1 1795 . 1 1 150 150 VAL HB H 1 1.88 0 . 1 . . . A 419 VAL HB . 17838 1 1796 . 1 1 150 150 VAL HG11 H 1 0.77 0 . 2 . . . A 419 VAL HG11 . 17838 1 1797 . 1 1 150 150 VAL HG12 H 1 0.77 0 . 2 . . . A 419 VAL HG12 . 17838 1 1798 . 1 1 150 150 VAL HG13 H 1 0.77 0 . 2 . . . A 419 VAL HG13 . 17838 1 1799 . 1 1 150 150 VAL HG21 H 1 0.77 0 . 2 . . . A 419 VAL HG21 . 17838 1 1800 . 1 1 150 150 VAL HG22 H 1 0.77 0 . 2 . . . A 419 VAL HG22 . 17838 1 1801 . 1 1 150 150 VAL HG23 H 1 0.77 0 . 2 . . . A 419 VAL HG23 . 17838 1 1802 . 1 1 150 150 VAL C C 13 175.76 0 . 1 . . . A 419 VAL C . 17838 1 1803 . 1 1 150 150 VAL CA C 13 62.93 0 . 1 . . . A 419 VAL CA . 17838 1 1804 . 1 1 150 150 VAL CB C 13 32.45 0 . 1 . . . A 419 VAL CB . 17838 1 1805 . 1 1 150 150 VAL CG1 C 13 22.3 0 . 2 . . . A 419 VAL CG1 . 17838 1 1806 . 1 1 150 150 VAL CG2 C 13 21.19 0 . 2 . . . A 419 VAL CG2 . 17838 1 1807 . 1 1 150 150 VAL N N 15 118.81 0 . 1 . . . A 419 VAL N . 17838 1 1808 . 1 1 151 151 LYS H H 1 8.29 0 . 1 . . . A 420 LYS H . 17838 1 1809 . 1 1 151 151 LYS HA H 1 4.26 0 . 1 . . . A 420 LYS HA . 17838 1 1810 . 1 1 151 151 LYS HB2 H 1 1.71 0 . 2 . . . A 420 LYS HB2 . 17838 1 1811 . 1 1 151 151 LYS HB3 H 1 1.6 0 . 2 . . . A 420 LYS HB3 . 17838 1 1812 . 1 1 151 151 LYS HG2 H 1 1.31 0 . 2 . . . A 420 LYS HG2 . 17838 1 1813 . 1 1 151 151 LYS HG3 H 1 1.31 0 . 2 . . . A 420 LYS HG3 . 17838 1 1814 . 1 1 151 151 LYS HD2 H 1 1.65 0 . 2 . . . A 420 LYS HD2 . 17838 1 1815 . 1 1 151 151 LYS HD3 H 1 1.65 0 . 2 . . . A 420 LYS HD3 . 17838 1 1816 . 1 1 151 151 LYS HE2 H 1 2.83 0 . 2 . . . A 420 LYS HE2 . 17838 1 1817 . 1 1 151 151 LYS HE3 H 1 2.83 0 . 2 . . . A 420 LYS HE3 . 17838 1 1818 . 1 1 151 151 LYS C C 13 175.21 0 . 1 . . . A 420 LYS C . 17838 1 1819 . 1 1 151 151 LYS CA C 13 56.05 0 . 1 . . . A 420 LYS CA . 17838 1 1820 . 1 1 151 151 LYS CB C 13 33.05 0 . 1 . . . A 420 LYS CB . 17838 1 1821 . 1 1 151 151 LYS CG C 13 24.56 0 . 1 . . . A 420 LYS CG . 17838 1 1822 . 1 1 151 151 LYS CD C 13 28.86 0 . 1 . . . A 420 LYS CD . 17838 1 1823 . 1 1 151 151 LYS CE C 13 42.2 0 . 1 . . . A 420 LYS CE . 17838 1 1824 . 1 1 151 151 LYS N N 15 126.62 0 . 1 . . . A 420 LYS N . 17838 1 1825 . 1 1 152 152 LYS H H 1 7.91 0 . 1 . . . A 421 LYS H . 17838 1 1826 . 1 1 152 152 LYS HA H 1 4.02 0 . 1 . . . A 421 LYS HA . 17838 1 1827 . 1 1 152 152 LYS HB2 H 1 1.57 0 . 2 . . . A 421 LYS HB2 . 17838 1 1828 . 1 1 152 152 LYS HB3 H 1 1.68 0 . 2 . . . A 421 LYS HB3 . 17838 1 1829 . 1 1 152 152 LYS HG2 H 1 1.25 0 . 2 . . . A 421 LYS HG2 . 17838 1 1830 . 1 1 152 152 LYS HG3 H 1 1.25 0 . 2 . . . A 421 LYS HG3 . 17838 1 1831 . 1 1 152 152 LYS HD2 H 1 1.55 0 . 2 . . . A 421 LYS HD2 . 17838 1 1832 . 1 1 152 152 LYS HD3 H 1 1.55 0 . 2 . . . A 421 LYS HD3 . 17838 1 1833 . 1 1 152 152 LYS HE2 H 1 2.88 0 . 2 . . . A 421 LYS HE2 . 17838 1 1834 . 1 1 152 152 LYS HE3 H 1 2.88 0 . 2 . . . A 421 LYS HE3 . 17838 1 1835 . 1 1 152 152 LYS CA C 13 57.73 0 . 1 . . . A 421 LYS CA . 17838 1 1836 . 1 1 152 152 LYS CB C 13 33.68 0 . 1 . . . A 421 LYS CB . 17838 1 1837 . 1 1 152 152 LYS CG C 13 24.56 0 . 1 . . . A 421 LYS CG . 17838 1 1838 . 1 1 152 152 LYS CD C 13 28.86 0 . 1 . . . A 421 LYS CD . 17838 1 1839 . 1 1 152 152 LYS CE C 13 42.17 0 . 1 . . . A 421 LYS CE . 17838 1 1840 . 1 1 152 152 LYS N N 15 128.57 0 . 1 . . . A 421 LYS N . 17838 1 stop_ save_