data_5194 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5194 _Entry.Title ; Three-dimensional Structure of the Synaptotagmin 1 C2B-domain: Synaptotagmin 1 as a Phospholipid Binding Machine ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-10-30 _Entry.Accession_date 2001-10-30 _Entry.Last_release_date 2002-02-14 _Entry.Original_release_date 2002-02-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Imma Fernandez . . . 5194 2 Demet Arac . . . 5194 3 Josep Ubach . . . 5194 4 Stefan Gerber . H. . 5194 5 Ok-ho Shin . . . 5194 6 Yan Gao . . . 5194 7 Richard Anderson . G.W. . 5194 8 Thomas Sudhof . C. . 5194 9 Josep Rizo . . . 5194 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5194 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1150 5194 '13C chemical shifts' 715 5194 '15N chemical shifts' 161 5194 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 1 . . 2002-02-14 2001-10-30 original author . 5194 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5194 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21630172 _Citation.DOI . _Citation.PubMed_ID 11754837 _Citation.Full_citation . _Citation.Title ; Three-dimensional Structure of the Synaptotagmin 1 C2B-domain: Synaptotagmin 1 as a Phospholipid Binding Machine ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Neuron _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 6 _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 1057 _Citation.Page_last 1069 _Citation.Year 2001 _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 Imma Fernandez . . . 5194 1 2 Demet Arac . . . 5194 1 3 Josep Ubach . . . 5194 1 4 Stefan Gerber . H. . 5194 1 5 Ok-ho Shin . . . 5194 1 6 Yan Gao . . . 5194 1 7 Richard Anderson . G.W. . 5194 1 8 Thomas Sudhof . C. . 5194 1 9 Josep Rizo . . . 5194 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID C2B-domain 5194 1 C2-domain 5194 1 'synaptotagmin I' 5194 1 calcium-binding 5194 1 phospholipid-binding 5194 1 synapsis 5194 1 'neurotransmitter release' 5194 1 'synaptic vesicle exocytosis' 5194 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_synaptotagmin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_synaptotagmin _Assembly.Entry_ID 5194 _Assembly.ID 1 _Assembly.Name 'Synaptotagmin I' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5194 1 stop_ 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 'Synaptotagmin I' 1 $synaptotagmin . . . native . . . . . 5194 1 2 'CALCIUM ION, I' 2 $CA . . . native . . . . . 5194 1 3 'CALCIUM ION, II' 2 $CA . . . native . . . . . 5194 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1K5W . . . . . . 5194 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Synaptotagmin I' system 5194 1 synaptotagmin abbreviation 5194 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_synaptotagmin _Entity.Sf_category entity _Entity.Sf_framecode synaptotagmin _Entity.Entry_ID 5194 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name synaptotagmin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; 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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers 152 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17838 . entity_1 . . . . . 99.34 151 100.00 100.00 2.36e-106 . . . . 5194 1 2 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 3.07e-107 . . . . 5194 1 3 no PDB 1TJM . "Crystallographic Identification Of Sr2+ Coordination Site In Synaptotagmin I C2b Domain" . . . . . 99.34 159 100.00 100.00 3.42e-106 . . . . 5194 1 4 no PDB 1TJX . "Crystallographic Identification Of Ca2+ Coordination Sites In Synaptotagmin I C2b Domain" . . . . . 99.34 159 100.00 100.00 3.42e-106 . . . . 5194 1 5 no PDB 1UOV . "Calcium Binding Domain C2b" . . . . . 99.34 159 100.00 100.00 3.42e-106 . . . . 5194 1 6 no PDB 1UOW . "Calcium Binding Domain C2b" . . . . . 99.34 159 100.00 100.00 3.42e-106 . . . . 5194 1 7 no PDB 2LHA . "Solution Structure Of C2b With Ip6" . . . . . 99.34 151 100.00 100.00 2.36e-106 . . . . 5194 1 8 no PDB 2YOA . "Synaptotagmin-1 C2b Domain With Phosphoserine" . . . . . 99.34 152 100.00 100.00 2.22e-106 . . . . 5194 1 9 no GB ABA86948 . "synaptotagmin I [Felis catus]" . . . . . 75.66 169 100.00 100.00 2.45e-75 . . . . 5194 1 10 no GB ELW70523 . "Synaptotagmin-1 [Tupaia chinensis]" . . . . . 100.00 178 100.00 100.00 6.10e-107 . . . . 5194 1 11 no GB EPY85161 . "synaptotagmin-1-like protein [Camelus ferus]" . . . . . 74.34 114 100.00 100.00 5.98e-77 . . . . 5194 1 12 no GB ETE67808 . "Synaptotagmin-1 [Ophiophagus hannah]" . . . . . 69.08 105 99.05 99.05 3.56e-69 . . . . 5194 1 13 no GB KFO26676 . "Synaptotagmin-1 [Fukomys damarensis]" . . . . . 74.34 131 100.00 100.00 7.52e-77 . . . . 5194 1 14 no REF XP_005955385 . "PREDICTED: synaptotagmin-1 [Pantholops hodgsonii]" . . . . . 100.00 207 100.00 100.00 4.09e-107 . . . . 5194 1 15 no REF XP_007441326 . "PREDICTED: synaptotagmin-1-like, partial [Python bivittatus]" . . . . . 73.68 112 99.11 99.11 5.36e-75 . . . . 5194 1 16 no REF XP_008933885 . "PREDICTED: synaptotagmin-1, partial [Merops nubicus]" . . . . . 100.00 152 99.34 99.34 3.59e-106 . . . . 5194 1 17 no REF XP_009505833 . "PREDICTED: synaptotagmin-1 [Phalacrocorax carbo]" . . . . . 100.00 174 98.68 99.34 3.34e-106 . . . . 5194 1 18 no REF XP_009699931 . "PREDICTED: synaptotagmin-1-like, partial [Cariama cristata]" . . . . . 73.68 112 98.21 99.11 8.56e-75 . . . . 5194 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID synaptotagmin common 5194 1 synaptotagmin abbreviation 5194 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 . 5194 1 2 271 GLU . 5194 1 3 272 LYS . 5194 1 4 273 LEU . 5194 1 5 274 GLY . 5194 1 6 275 ASP . 5194 1 7 276 ILE . 5194 1 8 277 CYS . 5194 1 9 278 PHE . 5194 1 10 279 SER . 5194 1 11 280 LEU . 5194 1 12 281 ARG . 5194 1 13 282 TYR . 5194 1 14 283 VAL . 5194 1 15 284 PRO . 5194 1 16 285 THR . 5194 1 17 286 ALA . 5194 1 18 287 GLY . 5194 1 19 288 LYS . 5194 1 20 289 LEU . 5194 1 21 290 THR . 5194 1 22 291 VAL . 5194 1 23 292 VAL . 5194 1 24 293 ILE . 5194 1 25 294 LEU . 5194 1 26 295 GLU . 5194 1 27 296 ALA . 5194 1 28 297 LYS . 5194 1 29 298 ASN . 5194 1 30 299 LEU . 5194 1 31 300 LYS . 5194 1 32 301 LYS . 5194 1 33 302 MET . 5194 1 34 303 ASP . 5194 1 35 304 VAL . 5194 1 36 305 GLY . 5194 1 37 306 GLY . 5194 1 38 307 LEU . 5194 1 39 308 SER . 5194 1 40 309 ASP . 5194 1 41 310 PRO . 5194 1 42 311 TYR . 5194 1 43 312 VAL . 5194 1 44 313 LYS . 5194 1 45 314 ILE . 5194 1 46 315 HIS . 5194 1 47 316 LEU . 5194 1 48 317 MET . 5194 1 49 318 GLN . 5194 1 50 319 ASN . 5194 1 51 320 GLY . 5194 1 52 321 LYS . 5194 1 53 322 ARG . 5194 1 54 323 LEU . 5194 1 55 324 LYS . 5194 1 56 325 LYS . 5194 1 57 326 LYS . 5194 1 58 327 LYS . 5194 1 59 328 THR . 5194 1 60 329 THR . 5194 1 61 330 ILE . 5194 1 62 331 LYS . 5194 1 63 332 LYS . 5194 1 64 333 ASN . 5194 1 65 334 THR . 5194 1 66 335 LEU . 5194 1 67 336 ASN . 5194 1 68 337 PRO . 5194 1 69 338 TYR . 5194 1 70 339 TYR . 5194 1 71 340 ASN . 5194 1 72 341 GLU . 5194 1 73 342 SER . 5194 1 74 343 PHE . 5194 1 75 344 SER . 5194 1 76 345 PHE . 5194 1 77 346 GLU . 5194 1 78 347 VAL . 5194 1 79 348 PRO . 5194 1 80 349 PHE . 5194 1 81 350 GLU . 5194 1 82 351 GLN . 5194 1 83 352 ILE . 5194 1 84 353 GLN . 5194 1 85 354 LYS . 5194 1 86 355 VAL . 5194 1 87 356 GLN . 5194 1 88 357 VAL . 5194 1 89 358 VAL . 5194 1 90 359 VAL . 5194 1 91 360 THR . 5194 1 92 361 VAL . 5194 1 93 362 LEU . 5194 1 94 363 ASP . 5194 1 95 364 TYR . 5194 1 96 365 ASP . 5194 1 97 366 LYS . 5194 1 98 367 ILE . 5194 1 99 368 GLY . 5194 1 100 369 LYS . 5194 1 101 370 ASN . 5194 1 102 371 ASP . 5194 1 103 372 ALA . 5194 1 104 373 ILE . 5194 1 105 374 GLY . 5194 1 106 375 LYS . 5194 1 107 376 VAL . 5194 1 108 377 PHE . 5194 1 109 378 VAL . 5194 1 110 379 GLY . 5194 1 111 380 TYR . 5194 1 112 381 ASN . 5194 1 113 382 SER . 5194 1 114 383 THR . 5194 1 115 384 GLY . 5194 1 116 385 ALA . 5194 1 117 386 GLU . 5194 1 118 387 LEU . 5194 1 119 388 ARG . 5194 1 120 389 HIS . 5194 1 121 390 TRP . 5194 1 122 391 SER . 5194 1 123 392 ASP . 5194 1 124 393 MET . 5194 1 125 394 LEU . 5194 1 126 395 ALA . 5194 1 127 396 ASN . 5194 1 128 397 PRO . 5194 1 129 398 ARG . 5194 1 130 399 ARG . 5194 1 131 400 PRO . 5194 1 132 401 ILE . 5194 1 133 402 ALA . 5194 1 134 403 GLN . 5194 1 135 404 TRP . 5194 1 136 405 HIS . 5194 1 137 406 THR . 5194 1 138 407 LEU . 5194 1 139 408 GLN . 5194 1 140 409 VAL . 5194 1 141 410 GLU . 5194 1 142 411 GLU . 5194 1 143 412 GLU . 5194 1 144 413 VAL . 5194 1 145 414 ASP . 5194 1 146 415 ALA . 5194 1 147 416 MET . 5194 1 148 417 LEU . 5194 1 149 418 ALA . 5194 1 150 419 VAL . 5194 1 151 420 LYS . 5194 1 152 421 LYS . 5194 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 5194 1 . GLU 2 2 5194 1 . LYS 3 3 5194 1 . LEU 4 4 5194 1 . GLY 5 5 5194 1 . ASP 6 6 5194 1 . ILE 7 7 5194 1 . CYS 8 8 5194 1 . PHE 9 9 5194 1 . SER 10 10 5194 1 . LEU 11 11 5194 1 . ARG 12 12 5194 1 . TYR 13 13 5194 1 . VAL 14 14 5194 1 . PRO 15 15 5194 1 . THR 16 16 5194 1 . ALA 17 17 5194 1 . GLY 18 18 5194 1 . LYS 19 19 5194 1 . LEU 20 20 5194 1 . THR 21 21 5194 1 . VAL 22 22 5194 1 . VAL 23 23 5194 1 . ILE 24 24 5194 1 . LEU 25 25 5194 1 . GLU 26 26 5194 1 . ALA 27 27 5194 1 . LYS 28 28 5194 1 . ASN 29 29 5194 1 . LEU 30 30 5194 1 . LYS 31 31 5194 1 . LYS 32 32 5194 1 . MET 33 33 5194 1 . ASP 34 34 5194 1 . VAL 35 35 5194 1 . GLY 36 36 5194 1 . GLY 37 37 5194 1 . LEU 38 38 5194 1 . SER 39 39 5194 1 . ASP 40 40 5194 1 . PRO 41 41 5194 1 . TYR 42 42 5194 1 . VAL 43 43 5194 1 . LYS 44 44 5194 1 . ILE 45 45 5194 1 . HIS 46 46 5194 1 . LEU 47 47 5194 1 . MET 48 48 5194 1 . GLN 49 49 5194 1 . ASN 50 50 5194 1 . GLY 51 51 5194 1 . LYS 52 52 5194 1 . ARG 53 53 5194 1 . LEU 54 54 5194 1 . LYS 55 55 5194 1 . LYS 56 56 5194 1 . LYS 57 57 5194 1 . LYS 58 58 5194 1 . THR 59 59 5194 1 . THR 60 60 5194 1 . ILE 61 61 5194 1 . LYS 62 62 5194 1 . LYS 63 63 5194 1 . ASN 64 64 5194 1 . THR 65 65 5194 1 . LEU 66 66 5194 1 . ASN 67 67 5194 1 . PRO 68 68 5194 1 . TYR 69 69 5194 1 . TYR 70 70 5194 1 . ASN 71 71 5194 1 . GLU 72 72 5194 1 . SER 73 73 5194 1 . PHE 74 74 5194 1 . SER 75 75 5194 1 . PHE 76 76 5194 1 . GLU 77 77 5194 1 . VAL 78 78 5194 1 . PRO 79 79 5194 1 . PHE 80 80 5194 1 . GLU 81 81 5194 1 . GLN 82 82 5194 1 . ILE 83 83 5194 1 . GLN 84 84 5194 1 . LYS 85 85 5194 1 . VAL 86 86 5194 1 . GLN 87 87 5194 1 . VAL 88 88 5194 1 . VAL 89 89 5194 1 . VAL 90 90 5194 1 . THR 91 91 5194 1 . VAL 92 92 5194 1 . LEU 93 93 5194 1 . ASP 94 94 5194 1 . TYR 95 95 5194 1 . ASP 96 96 5194 1 . LYS 97 97 5194 1 . ILE 98 98 5194 1 . GLY 99 99 5194 1 . LYS 100 100 5194 1 . ASN 101 101 5194 1 . ASP 102 102 5194 1 . ALA 103 103 5194 1 . ILE 104 104 5194 1 . GLY 105 105 5194 1 . LYS 106 106 5194 1 . VAL 107 107 5194 1 . PHE 108 108 5194 1 . VAL 109 109 5194 1 . GLY 110 110 5194 1 . TYR 111 111 5194 1 . ASN 112 112 5194 1 . SER 113 113 5194 1 . THR 114 114 5194 1 . GLY 115 115 5194 1 . ALA 116 116 5194 1 . GLU 117 117 5194 1 . LEU 118 118 5194 1 . ARG 119 119 5194 1 . HIS 120 120 5194 1 . TRP 121 121 5194 1 . SER 122 122 5194 1 . ASP 123 123 5194 1 . MET 124 124 5194 1 . LEU 125 125 5194 1 . ALA 126 126 5194 1 . ASN 127 127 5194 1 . PRO 128 128 5194 1 . ARG 129 129 5194 1 . ARG 130 130 5194 1 . PRO 131 131 5194 1 . ILE 132 132 5194 1 . ALA 133 133 5194 1 . GLN 134 134 5194 1 . TRP 135 135 5194 1 . HIS 136 136 5194 1 . THR 137 137 5194 1 . LEU 138 138 5194 1 . GLN 139 139 5194 1 . VAL 140 140 5194 1 . GLU 141 141 5194 1 . GLU 142 142 5194 1 . GLU 143 143 5194 1 . VAL 144 144 5194 1 . ASP 145 145 5194 1 . ALA 146 146 5194 1 . MET 147 147 5194 1 . LEU 148 148 5194 1 . ALA 149 149 5194 1 . VAL 150 150 5194 1 . LYS 151 151 5194 1 . LYS 152 152 5194 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 5194 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _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 CA _Entity.Nonpolymer_comp_label $chem_comp_CA _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 . CA . 5194 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 5194 _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 $synaptotagmin . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 5194 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 5194 _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 $synaptotagmin . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 5194 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 5194 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _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 CA _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 . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _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 . _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 Mon Jun 20 11:33:06 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 [Ca+2] SMILES ACDLabs 10.04 5194 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 5194 CA [Ca++] SMILES CACTVS 3.341 5194 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5194 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 5194 CA InChI=1S/Ca/q+2 InChI InChI 1.03 5194 CA BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 5194 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 5194 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5194 CA 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 CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 5194 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5194 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 synaptotagmin '[U-15N; U-13C]' . . 1 $synaptotagmin . . 1.3 . . mM . . . . 5194 1 2 NaCl . . . . . . . 150 . . mM . . . . 5194 1 3 DTT . . . . . . . 2 . . mM . . . . 5194 1 4 MES . . . . . . . 50 . . mM . . . . 5194 1 5 CaCl2 . . . . . . . 20 . . mM . . . . 5194 1 6 D2O . . . . . . . 5 . . % . . . . 5194 1 7 H2O . . . . . . . 95 . . % . . . . 5194 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5194 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 synaptotagmin [U-15N] . . 1 $synaptotagmin . . 1.3 . . mM . . . . 5194 2 2 NaCl . . . . . . . 150 . . mM . . . . 5194 2 3 DTT . . . . . . . 2 . . mM . . . . 5194 2 4 MES . . . . . . . 50 . . mM . . . . 5194 2 5 CaCl2 . . . . . . . 20 . . mM . . . . 5194 2 6 D2O . . . . . . . 5 . . % . . . . 5194 2 7 H2O . . . . . . . 95 . . % . . . . 5194 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5194 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 synaptotagmin [U-15N] . . 1 $synaptotagmin . . 0.4 . . mM . . . . 5194 3 2 NaCl . . . . . . . 150 . . mM . . . . 5194 3 3 DTT . . . . . . . 2 . . mM . . . . 5194 3 4 MES . . . . . . . 50 . . mM . . . . 5194 3 5 EDTA . . . . . . . 0.5 . . mM . . . . 5194 3 6 D2O . . . . . . . 5 . . % . . . . 5194 3 7 H2O . . . . . . . 95 . . % . . . . 5194 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 5194 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 synaptotagmin '[U-10% 13C]' . . 1 $synaptotagmin . . 1 . . mM . . . . 5194 4 2 NaCl . . . . . . . 150 . . mM . . . . 5194 4 3 DTT . . . . . . . 2 . . mM . . . . 5194 4 4 MES . . . . . . . 50 . . mM . . . . 5194 4 5 CaCl2 . . . . . . . 20 . . mM . . . . 5194 4 6 D2O . . . . . . . 5 . . % . . . . 5194 4 7 H2O . . . . . . . 95 . . % . . . . 5194 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5194 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.3 . n/a 5194 1 temperature 303 . K 5194 1 'ionic strength' 150 . mM 5194 1 pressure 1 . atm 5194 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5194 _Software.ID 1 _Software.Name NMRPipe _Software.Version 1.8 _Software.Details 'DeLaglio et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5194 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 5194 _Software.ID 2 _Software.Name VNMR _Software.Version 6.1 _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5194 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 5194 _Software.ID 3 _Software.Name NMRVIEW _Software.Version 4.12 _Software.Details 'Johnson, Blevins' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5194 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 5194 _Software.ID 4 _Software.Name CNS _Software.Version 0.9 _Software.Details 'Brunger et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5194 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5194 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5194 _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 NMR_spectrometer Varian INOVA . 600 . . . 5194 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 5194 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5194 1 2 '3D-13C 15N-SEPARATED NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5194 1 3 HNHA . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5194 1 4 1H/13C-HSQC . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5194 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5194 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5194 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D-13C 15N-SEPARATED NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5194 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5194 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 1H/13C-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5194 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct . . . . 1 $entry_citation . . 1 $entry_citation 5194 1 N 15 nitromethane nitrogen . . . . ppm -379.6 external direct . . . . 1 $entry_citation . . 1 $entry_citation 5194 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 external direct . . . . 1 $entry_citation . . 1 $entry_citation 5194 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5194 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5194 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLU N N 15 123.640 0.2 . 1 . . . . . . . . 5194 1 2 . 1 1 2 2 GLU H H 1 8.400 0.03 . 1 . . . . . . . . 5194 1 3 . 1 1 2 2 GLU CA C 13 56.210 0.3 . 1 . . . . . . . . 5194 1 4 . 1 1 2 2 GLU HA H 1 4.270 0.03 . 1 . . . . . . . . 5194 1 5 . 1 1 2 2 GLU CB C 13 30.535 0.3 . 1 . . . . . . . . 5194 1 6 . 1 1 2 2 GLU HB3 H 1 1.950 0.03 . 1 . . . . . . . . 5194 1 7 . 1 1 2 2 GLU HB2 H 1 1.950 0.03 . 1 . . . . . . . . 5194 1 8 . 1 1 2 2 GLU CG C 13 36.000 0.3 . 1 . . . . . . . . 5194 1 9 . 1 1 2 2 GLU HG3 H 1 2.200 0.03 . 1 . . . . . . . . 5194 1 10 . 1 1 2 2 GLU HG2 H 1 2.200 0.03 . 1 . . . . . . . . 5194 1 11 . 1 1 2 2 GLU C C 13 176.370 0.1 . 1 . . . . . . . . 5194 1 12 . 1 1 3 3 LYS N N 15 123.788 0.2 . 1 . . . . . . . . 5194 1 13 . 1 1 3 3 LYS H H 1 8.429 0.03 . 1 . . . . . . . . 5194 1 14 . 1 1 3 3 LYS CA C 13 56.088 0.3 . 1 . . . . . . . . 5194 1 15 . 1 1 3 3 LYS HA H 1 4.333 0.03 . 1 . . . . . . . . 5194 1 16 . 1 1 3 3 LYS CB C 13 32.157 0.3 . 1 . . . . . . . . 5194 1 17 . 1 1 3 3 LYS HB3 H 1 1.850 0.03 . 2 . . . . . . . . 5194 1 18 . 1 1 3 3 LYS HB2 H 1 1.790 0.03 . 2 . . . . . . . . 5194 1 19 . 1 1 3 3 LYS CG C 13 24.857 0.3 . 1 . . . . . . . . 5194 1 20 . 1 1 3 3 LYS HG3 H 1 1.500 0.03 . 2 . . . . . . . . 5194 1 21 . 1 1 3 3 LYS HG2 H 1 1.420 0.03 . 2 . . . . . . . . 5194 1 22 . 1 1 3 3 LYS CD C 13 28.935 0.3 . 1 . . . . . . . . 5194 1 23 . 1 1 3 3 LYS HD3 H 1 1.690 0.03 . 1 . . . . . . . . 5194 1 24 . 1 1 3 3 LYS HD2 H 1 1.690 0.03 . 1 . . . . . . . . 5194 1 25 . 1 1 3 3 LYS CE C 13 42.168 0.3 . 1 . . . . . . . . 5194 1 26 . 1 1 3 3 LYS HE3 H 1 2.980 0.03 . 1 . . . . . . . . 5194 1 27 . 1 1 3 3 LYS HE2 H 1 2.980 0.03 . 1 . . . . . . . . 5194 1 28 . 1 1 3 3 LYS C C 13 175.919 0.1 . 1 . . . . . . . . 5194 1 29 . 1 1 4 4 LEU N N 15 124.665 0.2 . 1 . . . . . . . . 5194 1 30 . 1 1 4 4 LEU H H 1 8.644 0.03 . 1 . . . . . . . . 5194 1 31 . 1 1 4 4 LEU CA C 13 56.013 0.3 . 1 . . . . . . . . 5194 1 32 . 1 1 4 4 LEU HA H 1 4.310 0.03 . 1 . . . . . . . . 5194 1 33 . 1 1 4 4 LEU CB C 13 43.171 0.3 . 1 . . . . . . . . 5194 1 34 . 1 1 4 4 LEU HB3 H 1 1.660 0.03 . 2 . . . . . . . . 5194 1 35 . 1 1 4 4 LEU HB2 H 1 1.380 0.03 . 2 . . . . . . . . 5194 1 36 . 1 1 4 4 LEU CG C 13 26.942 0.3 . 1 . . . . . . . . 5194 1 37 . 1 1 4 4 LEU HG H 1 1.710 0.03 . 1 . . . . . . . . 5194 1 38 . 1 1 4 4 LEU CD1 C 13 24.746 0.3 . 1 . . . . . . . . 5194 1 39 . 1 1 4 4 LEU HD11 H 1 0.910 0.03 . 1 . . . . . . . . 5194 1 40 . 1 1 4 4 LEU HD12 H 1 0.910 0.03 . 1 . . . . . . . . 5194 1 41 . 1 1 4 4 LEU HD13 H 1 0.910 0.03 . 1 . . . . . . . . 5194 1 42 . 1 1 4 4 LEU CD2 C 13 22.412 0.3 . 1 . . . . . . . . 5194 1 43 . 1 1 4 4 LEU HD21 H 1 0.860 0.03 . 1 . . . . . . . . 5194 1 44 . 1 1 4 4 LEU HD22 H 1 0.860 0.03 . 1 . . . . . . . . 5194 1 45 . 1 1 4 4 LEU HD23 H 1 0.860 0.03 . 1 . . . . . . . . 5194 1 46 . 1 1 4 4 LEU C C 13 175.225 0.1 . 1 . . . . . . . . 5194 1 47 . 1 1 5 5 GLY N N 15 102.130 0.2 . 1 . . . . . . . . 5194 1 48 . 1 1 5 5 GLY H H 1 7.203 0.03 . 1 . . . . . . . . 5194 1 49 . 1 1 5 5 GLY CA C 13 44.300 0.3 . 1 . . . . . . . . 5194 1 50 . 1 1 5 5 GLY HA3 H 1 4.510 0.03 . 2 . . . . . . . . 5194 1 51 . 1 1 5 5 GLY HA2 H 1 3.650 0.03 . 2 . . . . . . . . 5194 1 52 . 1 1 5 5 GLY C C 13 171.556 0.1 . 1 . . . . . . . . 5194 1 53 . 1 1 6 6 ASP N N 15 116.687 0.2 . 1 . . . . . . . . 5194 1 54 . 1 1 6 6 ASP H H 1 8.564 0.03 . 1 . . . . . . . . 5194 1 55 . 1 1 6 6 ASP CA C 13 53.091 0.3 . 1 . . . . . . . . 5194 1 56 . 1 1 6 6 ASP HA H 1 5.874 0.03 . 1 . . . . . . . . 5194 1 57 . 1 1 6 6 ASP CB C 13 45.884 0.3 . 1 . . . . . . . . 5194 1 58 . 1 1 6 6 ASP HB3 H 1 2.402 0.03 . 2 . . . . . . . . 5194 1 59 . 1 1 6 6 ASP HB2 H 1 2.852 0.03 . 2 . . . . . . . . 5194 1 60 . 1 1 6 6 ASP C C 13 174.993 0.1 . 1 . . . . . . . . 5194 1 61 . 1 1 7 7 ILE N N 15 118.813 0.2 . 1 . . . . . . . . 5194 1 62 . 1 1 7 7 ILE H H 1 9.981 0.03 . 1 . . . . . . . . 5194 1 63 . 1 1 7 7 ILE CA C 13 58.773 0.3 . 1 . . . . . . . . 5194 1 64 . 1 1 7 7 ILE HA H 1 5.330 0.03 . 1 . . . . . . . . 5194 1 65 . 1 1 7 7 ILE CB C 13 43.584 0.3 . 1 . . . . . . . . 5194 1 66 . 1 1 7 7 ILE HB H 1 1.580 0.03 . 1 . . . . . . . . 5194 1 67 . 1 1 7 7 ILE CG1 C 13 29.780 0.3 . 1 . . . . . . . . 5194 1 68 . 1 1 7 7 ILE HG13 H 1 1.870 0.03 . 1 . . . . . . . . 5194 1 69 . 1 1 7 7 ILE HG12 H 1 1.190 0.03 . 1 . . . . . . . . 5194 1 70 . 1 1 7 7 ILE CD1 C 13 15.474 0.3 . 1 . . . . . . . . 5194 1 71 . 1 1 7 7 ILE HD11 H 1 0.850 0.03 . 1 . . . . . . . . 5194 1 72 . 1 1 7 7 ILE HD12 H 1 0.850 0.03 . 1 . . . . . . . . 5194 1 73 . 1 1 7 7 ILE HD13 H 1 0.850 0.03 . 1 . . . . . . . . 5194 1 74 . 1 1 7 7 ILE CG2 C 13 16.640 0.3 . 1 . . . . . . . . 5194 1 75 . 1 1 7 7 ILE HG21 H 1 1.110 0.03 . 1 . . . . . . . . 5194 1 76 . 1 1 7 7 ILE HG22 H 1 1.110 0.03 . 1 . . . . . . . . 5194 1 77 . 1 1 7 7 ILE HG23 H 1 1.110 0.03 . 1 . . . . . . . . 5194 1 78 . 1 1 7 7 ILE C C 13 170.170 0.1 . 1 . . . . . . . . 5194 1 79 . 1 1 8 8 CYS N N 15 128.719 0.2 . 1 . . . . . . . . 5194 1 80 . 1 1 8 8 CYS H H 1 8.981 0.03 . 1 . . . . . . . . 5194 1 81 . 1 1 8 8 CYS CA C 13 56.303 0.3 . 1 . . . . . . . . 5194 1 82 . 1 1 8 8 CYS HA H 1 4.610 0.03 . 1 . . . . . . . . 5194 1 83 . 1 1 8 8 CYS CB C 13 25.921 0.3 . 1 . . . . . . . . 5194 1 84 . 1 1 8 8 CYS HB3 H 1 1.610 0.03 . 2 . . . . . . . . 5194 1 85 . 1 1 8 8 CYS HB2 H 1 -0.250 0.03 . 2 . . . . . . . . 5194 1 86 . 1 1 8 8 CYS C C 13 173.962 0.1 . 1 . . . . . . . . 5194 1 87 . 1 1 9 9 PHE N N 15 121.431 0.2 . 1 . . . . . . . . 5194 1 88 . 1 1 9 9 PHE H H 1 7.710 0.03 . 1 . . . . . . . . 5194 1 89 . 1 1 9 9 PHE CA C 13 54.635 0.3 . 1 . . . . . . . . 5194 1 90 . 1 1 9 9 PHE HA H 1 5.490 0.03 . 1 . . . . . . . . 5194 1 91 . 1 1 9 9 PHE CB C 13 42.900 0.3 . 1 . . . . . . . . 5194 1 92 . 1 1 9 9 PHE HB3 H 1 3.360 0.03 . 2 . . . . . . . . 5194 1 93 . 1 1 9 9 PHE HB2 H 1 3.030 0.03 . 2 . . . . . . . . 5194 1 94 . 1 1 9 9 PHE CD1 C 13 131.800 0.3 . 1 . . . . . . . . 5194 1 95 . 1 1 9 9 PHE HD1 H 1 6.880 0.03 . 1 . . . . . . . . 5194 1 96 . 1 1 9 9 PHE CE1 C 13 130.100 0.3 . 1 . . . . . . . . 5194 1 97 . 1 1 9 9 PHE HE1 H 1 6.850 0.03 . 1 . . . . . . . . 5194 1 98 . 1 1 9 9 PHE CZ C 13 129.400 0.3 . 1 . . . . . . . . 5194 1 99 . 1 1 9 9 PHE HZ H 1 6.470 0.03 . 1 . . . . . . . . 5194 1 100 . 1 1 9 9 PHE CE2 C 13 130.100 0.3 . 1 . . . . . . . . 5194 1 101 . 1 1 9 9 PHE HE2 H 1 6.850 0.03 . 1 . . . . . . . . 5194 1 102 . 1 1 9 9 PHE CD2 C 13 131.800 0.3 . 1 . . . . . . . . 5194 1 103 . 1 1 9 9 PHE HD2 H 1 6.880 0.03 . 1 . . . . . . . . 5194 1 104 . 1 1 9 9 PHE C C 13 173.211 0.1 . 1 . . . . . . . . 5194 1 105 . 1 1 10 10 SER N N 15 116.272 0.2 . 1 . . . . . . . . 5194 1 106 . 1 1 10 10 SER H H 1 9.959 0.03 . 1 . . . . . . . . 5194 1 107 . 1 1 10 10 SER CA C 13 54.936 0.3 . 1 . . . . . . . . 5194 1 108 . 1 1 10 10 SER HA H 1 5.971 0.03 . 1 . . . . . . . . 5194 1 109 . 1 1 10 10 SER CB C 13 66.282 0.3 . 1 . . . . . . . . 5194 1 110 . 1 1 10 10 SER HB3 H 1 3.687 0.03 . 1 . . . . . . . . 5194 1 111 . 1 1 10 10 SER HB2 H 1 3.687 0.03 . 1 . . . . . . . . 5194 1 112 . 1 1 10 10 SER C C 13 172.943 0.1 . 1 . . . . . . . . 5194 1 113 . 1 1 11 11 LEU N N 15 121.640 0.2 . 1 . . . . . . . . 5194 1 114 . 1 1 11 11 LEU H H 1 8.340 0.03 . 1 . . . . . . . . 5194 1 115 . 1 1 11 11 LEU CA C 13 52.948 0.3 . 1 . . . . . . . . 5194 1 116 . 1 1 11 11 LEU HA H 1 5.218 0.03 . 1 . . . . . . . . 5194 1 117 . 1 1 11 11 LEU CB C 13 46.805 0.3 . 1 . . . . . . . . 5194 1 118 . 1 1 11 11 LEU HB3 H 1 1.423 0.03 . 2 . . . . . . . . 5194 1 119 . 1 1 11 11 LEU HB2 H 1 1.816 0.03 . 2 . . . . . . . . 5194 1 120 . 1 1 11 11 LEU CG C 13 27.708 0.3 . 1 . . . . . . . . 5194 1 121 . 1 1 11 11 LEU HG H 1 1.430 0.03 . 1 . . . . . . . . 5194 1 122 . 1 1 11 11 LEU CD1 C 13 24.660 0.3 . 1 . . . . . . . . 5194 1 123 . 1 1 11 11 LEU HD11 H 1 0.540 0.03 . 1 . . . . . . . . 5194 1 124 . 1 1 11 11 LEU HD12 H 1 0.540 0.03 . 1 . . . . . . . . 5194 1 125 . 1 1 11 11 LEU HD13 H 1 0.540 0.03 . 1 . . . . . . . . 5194 1 126 . 1 1 11 11 LEU CD2 C 13 23.990 0.3 . 1 . . . . . . . . 5194 1 127 . 1 1 11 11 LEU HD21 H 1 1.090 0.03 . 1 . . . . . . . . 5194 1 128 . 1 1 11 11 LEU HD22 H 1 1.090 0.03 . 1 . . . . . . . . 5194 1 129 . 1 1 11 11 LEU HD23 H 1 1.090 0.03 . 1 . . . . . . . . 5194 1 130 . 1 1 11 11 LEU C C 13 174.968 0.1 . 1 . . . . . . . . 5194 1 131 . 1 1 12 12 ARG N N 15 120.564 0.2 . 1 . . . . . . . . 5194 1 132 . 1 1 12 12 ARG H H 1 8.295 0.03 . 1 . . . . . . . . 5194 1 133 . 1 1 12 12 ARG CA C 13 54.794 0.3 . 1 . . . . . . . . 5194 1 134 . 1 1 12 12 ARG HA H 1 4.817 0.03 . 1 . . . . . . . . 5194 1 135 . 1 1 12 12 ARG CB C 13 34.588 0.3 . 1 . . . . . . . . 5194 1 136 . 1 1 12 12 ARG HB3 H 1 1.580 0.03 . 2 . . . . . . . . 5194 1 137 . 1 1 12 12 ARG HB2 H 1 1.630 0.03 . 2 . . . . . . . . 5194 1 138 . 1 1 12 12 ARG CG C 13 27.818 0.3 . 1 . . . . . . . . 5194 1 139 . 1 1 12 12 ARG HG3 H 1 1.110 0.03 . 1 . . . . . . . . 5194 1 140 . 1 1 12 12 ARG HG2 H 1 1.110 0.03 . 1 . . . . . . . . 5194 1 141 . 1 1 12 12 ARG CD C 13 44.034 0.3 . 1 . . . . . . . . 5194 1 142 . 1 1 12 12 ARG HD3 H 1 2.920 0.03 . 2 . . . . . . . . 5194 1 143 . 1 1 12 12 ARG HD2 H 1 2.880 0.03 . 2 . . . . . . . . 5194 1 144 . 1 1 12 12 ARG C C 13 173.478 0.1 . 1 . . . . . . . . 5194 1 145 . 1 1 13 13 TYR N N 15 127.604 0.2 . 1 . . . . . . . . 5194 1 146 . 1 1 13 13 TYR H H 1 9.448 0.03 . 1 . . . . . . . . 5194 1 147 . 1 1 13 13 TYR CA C 13 56.327 0.3 . 1 . . . . . . . . 5194 1 148 . 1 1 13 13 TYR HA H 1 5.595 0.03 . 1 . . . . . . . . 5194 1 149 . 1 1 13 13 TYR CB C 13 39.803 0.3 . 1 . . . . . . . . 5194 1 150 . 1 1 13 13 TYR HB3 H 1 2.676 0.03 . 2 . . . . . . . . 5194 1 151 . 1 1 13 13 TYR HB2 H 1 3.191 0.03 . 2 . . . . . . . . 5194 1 152 . 1 1 13 13 TYR CD1 C 13 131.800 0.3 . 1 . . . . . . . . 5194 1 153 . 1 1 13 13 TYR HD1 H 1 6.930 0.03 . 1 . . . . . . . . 5194 1 154 . 1 1 13 13 TYR CE1 C 13 116.900 0.3 . 1 . . . . . . . . 5194 1 155 . 1 1 13 13 TYR HE1 H 1 6.750 0.03 . 1 . . . . . . . . 5194 1 156 . 1 1 13 13 TYR CE2 C 13 116.900 0.3 . 1 . . . . . . . . 5194 1 157 . 1 1 13 13 TYR HE2 H 1 6.750 0.03 . 1 . . . . . . . . 5194 1 158 . 1 1 13 13 TYR CD2 C 13 131.800 0.3 . 1 . . . . . . . . 5194 1 159 . 1 1 13 13 TYR HD2 H 1 6.930 0.03 . 1 . . . . . . . . 5194 1 160 . 1 1 13 13 TYR C C 13 174.333 0.1 . 1 . . . . . . . . 5194 1 161 . 1 1 14 14 VAL N N 15 127.664 0.2 . 1 . . . . . . . . 5194 1 162 . 1 1 14 14 VAL H H 1 7.544 0.03 . 1 . . . . . . . . 5194 1 163 . 1 1 14 14 VAL CA C 13 58.520 0.3 . 1 . . . . . . . . 5194 1 164 . 1 1 14 14 VAL HA H 1 4.350 0.03 . 1 . . . . . . . . 5194 1 165 . 1 1 14 14 VAL CB C 13 32.480 0.3 . 1 . . . . . . . . 5194 1 166 . 1 1 14 14 VAL HB H 1 1.960 0.03 . 1 . . . . . . . . 5194 1 167 . 1 1 14 14 VAL CG2 C 13 20.200 0.3 . 1 . . . . . . . . 5194 1 168 . 1 1 14 14 VAL HG21 H 1 0.850 0.03 . 1 . . . . . . . . 5194 1 169 . 1 1 14 14 VAL HG22 H 1 0.850 0.03 . 1 . . . . . . . . 5194 1 170 . 1 1 14 14 VAL HG23 H 1 0.850 0.03 . 1 . . . . . . . . 5194 1 171 . 1 1 14 14 VAL CG1 C 13 22.200 0.3 . 1 . . . . . . . . 5194 1 172 . 1 1 14 14 VAL HG11 H 1 0.900 0.03 . 1 . . . . . . . . 5194 1 173 . 1 1 14 14 VAL HG12 H 1 0.900 0.03 . 1 . . . . . . . . 5194 1 174 . 1 1 14 14 VAL HG13 H 1 0.900 0.03 . 1 . . . . . . . . 5194 1 175 . 1 1 14 14 VAL C C 13 174.520 0.1 . 1 . . . . . . . . 5194 1 176 . 1 1 15 15 PRO CA C 13 65.562 0.3 . 1 . . . . . . . . 5194 1 177 . 1 1 15 15 PRO HA H 1 3.900 0.03 . 1 . . . . . . . . 5194 1 178 . 1 1 15 15 PRO CB C 13 32.295 0.3 . 1 . . . . . . . . 5194 1 179 . 1 1 15 15 PRO HB3 H 1 1.860 0.03 . 2 . . . . . . . . 5194 1 180 . 1 1 15 15 PRO HB2 H 1 2.070 0.03 . 2 . . . . . . . . 5194 1 181 . 1 1 15 15 PRO CG C 13 27.138 0.3 . 1 . . . . . . . . 5194 1 182 . 1 1 15 15 PRO HG3 H 1 2.040 0.03 . 2 . . . . . . . . 5194 1 183 . 1 1 15 15 PRO HG2 H 1 2.110 0.03 . 2 . . . . . . . . 5194 1 184 . 1 1 15 15 PRO CD C 13 51.464 0.3 . 1 . . . . . . . . 5194 1 185 . 1 1 15 15 PRO HD3 H 1 3.650 0.03 . 2 . . . . . . . . 5194 1 186 . 1 1 15 15 PRO HD2 H 1 4.050 0.03 . 2 . . . . . . . . 5194 1 187 . 1 1 15 15 PRO C C 13 178.199 0.1 . 1 . . . . . . . . 5194 1 188 . 1 1 16 16 THR N N 15 108.346 0.2 . 1 . . . . . . . . 5194 1 189 . 1 1 16 16 THR H H 1 7.758 0.03 . 1 . . . . . . . . 5194 1 190 . 1 1 16 16 THR CA C 13 64.451 0.3 . 1 . . . . . . . . 5194 1 191 . 1 1 16 16 THR HA H 1 3.950 0.03 . 1 . . . . . . . . 5194 1 192 . 1 1 16 16 THR CB C 13 68.156 0.3 . 1 . . . . . . . . 5194 1 193 . 1 1 16 16 THR HB H 1 4.170 0.03 . 1 . . . . . . . . 5194 1 194 . 1 1 16 16 THR CG2 C 13 22.389 0.3 . 1 . . . . . . . . 5194 1 195 . 1 1 16 16 THR HG21 H 1 1.226 0.03 . 1 . . . . . . . . 5194 1 196 . 1 1 16 16 THR HG22 H 1 1.226 0.03 . 1 . . . . . . . . 5194 1 197 . 1 1 16 16 THR HG23 H 1 1.226 0.03 . 1 . . . . . . . . 5194 1 198 . 1 1 16 16 THR C C 13 174.935 0.1 . 1 . . . . . . . . 5194 1 199 . 1 1 17 17 ALA N N 15 119.887 0.2 . 1 . . . . . . . . 5194 1 200 . 1 1 17 17 ALA H H 1 6.582 0.03 . 1 . . . . . . . . 5194 1 201 . 1 1 17 17 ALA CA C 13 51.200 0.3 . 1 . . . . . . . . 5194 1 202 . 1 1 17 17 ALA HA H 1 4.480 0.03 . 1 . . . . . . . . 5194 1 203 . 1 1 17 17 ALA CB C 13 20.255 0.3 . 1 . . . . . . . . 5194 1 204 . 1 1 17 17 ALA HB1 H 1 1.290 0.03 . 1 . . . . . . . . 5194 1 205 . 1 1 17 17 ALA HB2 H 1 1.290 0.03 . 1 . . . . . . . . 5194 1 206 . 1 1 17 17 ALA HB3 H 1 1.290 0.03 . 1 . . . . . . . . 5194 1 207 . 1 1 17 17 ALA C C 13 177.109 0.1 . 1 . . . . . . . . 5194 1 208 . 1 1 18 18 GLY N N 15 108.838 0.2 . 1 . . . . . . . . 5194 1 209 . 1 1 18 18 GLY H H 1 7.769 0.03 . 1 . . . . . . . . 5194 1 210 . 1 1 18 18 GLY CA C 13 47.116 0.3 . 1 . . . . . . . . 5194 1 211 . 1 1 18 18 GLY HA3 H 1 3.860 0.03 . 1 . . . . . . . . 5194 1 212 . 1 1 18 18 GLY HA2 H 1 3.860 0.03 . 1 . . . . . . . . 5194 1 213 . 1 1 18 18 GLY C C 13 174.088 0.1 . 1 . . . . . . . . 5194 1 214 . 1 1 19 19 LYS N N 15 117.207 0.2 . 1 . . . . . . . . 5194 1 215 . 1 1 19 19 LYS H H 1 6.705 0.03 . 1 . . . . . . . . 5194 1 216 . 1 1 19 19 LYS CA C 13 55.005 0.3 . 1 . . . . . . . . 5194 1 217 . 1 1 19 19 LYS HA H 1 5.018 0.03 . 1 . . . . . . . . 5194 1 218 . 1 1 19 19 LYS CB C 13 35.526 0.3 . 1 . . . . . . . . 5194 1 219 . 1 1 19 19 LYS HB3 H 1 1.440 0.03 . 2 . . . . . . . . 5194 1 220 . 1 1 19 19 LYS HB2 H 1 1.577 0.03 . 2 . . . . . . . . 5194 1 221 . 1 1 19 19 LYS CG C 13 24.496 0.3 . 1 . . . . . . . . 5194 1 222 . 1 1 19 19 LYS HG3 H 1 1.300 0.03 . 2 . . . . . . . . 5194 1 223 . 1 1 19 19 LYS HG2 H 1 1.200 0.03 . 2 . . . . . . . . 5194 1 224 . 1 1 19 19 LYS CD C 13 28.934 0.3 . 1 . . . . . . . . 5194 1 225 . 1 1 19 19 LYS HD3 H 1 1.580 0.03 . 2 . . . . . . . . 5194 1 226 . 1 1 19 19 LYS HD2 H 1 1.510 0.03 . 2 . . . . . . . . 5194 1 227 . 1 1 19 19 LYS CE C 13 41.785 0.3 . 1 . . . . . . . . 5194 1 228 . 1 1 19 19 LYS HE3 H 1 2.870 0.03 . 1 . . . . . . . . 5194 1 229 . 1 1 19 19 LYS HE2 H 1 2.870 0.03 . 1 . . . . . . . . 5194 1 230 . 1 1 19 19 LYS C C 13 173.948 0.1 . 1 . . . . . . . . 5194 1 231 . 1 1 20 20 LEU N N 15 131.876 0.2 . 1 . . . . . . . . 5194 1 232 . 1 1 20 20 LEU H H 1 9.323 0.03 . 1 . . . . . . . . 5194 1 233 . 1 1 20 20 LEU CA C 13 53.545 0.3 . 1 . . . . . . . . 5194 1 234 . 1 1 20 20 LEU HA H 1 5.580 0.03 . 1 . . . . . . . . 5194 1 235 . 1 1 20 20 LEU CB C 13 46.025 0.3 . 1 . . . . . . . . 5194 1 236 . 1 1 20 20 LEU HB3 H 1 1.460 0.03 . 2 . . . . . . . . 5194 1 237 . 1 1 20 20 LEU HB2 H 1 2.180 0.03 . 2 . . . . . . . . 5194 1 238 . 1 1 20 20 LEU CG C 13 28.374 0.3 . 1 . . . . . . . . 5194 1 239 . 1 1 20 20 LEU HG H 1 1.600 0.03 . 1 . . . . . . . . 5194 1 240 . 1 1 20 20 LEU CD1 C 13 25.100 0.3 . 1 . . . . . . . . 5194 1 241 . 1 1 20 20 LEU HD11 H 1 0.930 0.03 . 1 . . . . . . . . 5194 1 242 . 1 1 20 20 LEU HD12 H 1 0.930 0.03 . 1 . . . . . . . . 5194 1 243 . 1 1 20 20 LEU HD13 H 1 0.930 0.03 . 1 . . . . . . . . 5194 1 244 . 1 1 20 20 LEU CD2 C 13 26.490 0.3 . 1 . . . . . . . . 5194 1 245 . 1 1 20 20 LEU HD21 H 1 0.770 0.03 . 1 . . . . . . . . 5194 1 246 . 1 1 20 20 LEU HD22 H 1 0.770 0.03 . 1 . . . . . . . . 5194 1 247 . 1 1 20 20 LEU HD23 H 1 0.770 0.03 . 1 . . . . . . . . 5194 1 248 . 1 1 20 20 LEU C C 13 174.820 0.1 . 1 . . . . . . . . 5194 1 249 . 1 1 21 21 THR N N 15 124.264 0.2 . 1 . . . . . . . . 5194 1 250 . 1 1 21 21 THR H H 1 9.812 0.03 . 1 . . . . . . . . 5194 1 251 . 1 1 21 21 THR CA C 13 62.106 0.3 . 1 . . . . . . . . 5194 1 252 . 1 1 21 21 THR HA H 1 5.377 0.03 . 1 . . . . . . . . 5194 1 253 . 1 1 21 21 THR CB C 13 70.700 0.3 . 1 . . . . . . . . 5194 1 254 . 1 1 21 21 THR HB H 1 3.802 0.03 . 1 . . . . . . . . 5194 1 255 . 1 1 21 21 THR CG2 C 13 21.979 0.3 . 1 . . . . . . . . 5194 1 256 . 1 1 21 21 THR HG21 H 1 1.054 0.03 . 1 . . . . . . . . 5194 1 257 . 1 1 21 21 THR HG22 H 1 1.054 0.03 . 1 . . . . . . . . 5194 1 258 . 1 1 21 21 THR HG23 H 1 1.054 0.03 . 1 . . . . . . . . 5194 1 259 . 1 1 21 21 THR C C 13 173.680 0.1 . 1 . . . . . . . . 5194 1 260 . 1 1 22 22 VAL N N 15 129.970 0.2 . 1 . . . . . . . . 5194 1 261 . 1 1 22 22 VAL H H 1 9.560 0.03 . 1 . . . . . . . . 5194 1 262 . 1 1 22 22 VAL CA C 13 59.852 0.3 . 1 . . . . . . . . 5194 1 263 . 1 1 22 22 VAL HA H 1 5.156 0.03 . 1 . . . . . . . . 5194 1 264 . 1 1 22 22 VAL CB C 13 34.860 0.3 . 1 . . . . . . . . 5194 1 265 . 1 1 22 22 VAL HB H 1 2.116 0.03 . 1 . . . . . . . . 5194 1 266 . 1 1 22 22 VAL CG2 C 13 20.370 0.3 . 1 . . . . . . . . 5194 1 267 . 1 1 22 22 VAL HG21 H 1 0.910 0.03 . 1 . . . . . . . . 5194 1 268 . 1 1 22 22 VAL HG22 H 1 0.910 0.03 . 1 . . . . . . . . 5194 1 269 . 1 1 22 22 VAL HG23 H 1 0.910 0.03 . 1 . . . . . . . . 5194 1 270 . 1 1 22 22 VAL CG1 C 13 20.080 0.3 . 1 . . . . . . . . 5194 1 271 . 1 1 22 22 VAL HG11 H 1 0.740 0.03 . 1 . . . . . . . . 5194 1 272 . 1 1 22 22 VAL HG12 H 1 0.740 0.03 . 1 . . . . . . . . 5194 1 273 . 1 1 22 22 VAL HG13 H 1 0.740 0.03 . 1 . . . . . . . . 5194 1 274 . 1 1 22 22 VAL C C 13 174.585 0.1 . 1 . . . . . . . . 5194 1 275 . 1 1 23 23 VAL N N 15 125.960 0.2 . 1 . . . . . . . . 5194 1 276 . 1 1 23 23 VAL H H 1 8.708 0.03 . 1 . . . . . . . . 5194 1 277 . 1 1 23 23 VAL CA C 13 60.339 0.3 . 1 . . . . . . . . 5194 1 278 . 1 1 23 23 VAL HA H 1 4.934 0.03 . 1 . . . . . . . . 5194 1 279 . 1 1 23 23 VAL CB C 13 32.300 0.3 . 1 . . . . . . . . 5194 1 280 . 1 1 23 23 VAL HB H 1 2.292 0.03 . 1 . . . . . . . . 5194 1 281 . 1 1 23 23 VAL CG2 C 13 20.450 0.3 . 1 . . . . . . . . 5194 1 282 . 1 1 23 23 VAL HG21 H 1 0.800 0.03 . 1 . . . . . . . . 5194 1 283 . 1 1 23 23 VAL HG22 H 1 0.800 0.03 . 1 . . . . . . . . 5194 1 284 . 1 1 23 23 VAL HG23 H 1 0.800 0.03 . 1 . . . . . . . . 5194 1 285 . 1 1 23 23 VAL CG1 C 13 20.917 0.3 . 1 . . . . . . . . 5194 1 286 . 1 1 23 23 VAL HG11 H 1 0.570 0.03 . 1 . . . . . . . . 5194 1 287 . 1 1 23 23 VAL HG12 H 1 0.570 0.03 . 1 . . . . . . . . 5194 1 288 . 1 1 23 23 VAL HG13 H 1 0.570 0.03 . 1 . . . . . . . . 5194 1 289 . 1 1 23 23 VAL C C 13 177.658 0.1 . 1 . . . . . . . . 5194 1 290 . 1 1 24 24 ILE N N 15 125.762 0.2 . 1 . . . . . . . . 5194 1 291 . 1 1 24 24 ILE H H 1 9.163 0.03 . 1 . . . . . . . . 5194 1 292 . 1 1 24 24 ILE CA C 13 58.464 0.3 . 1 . . . . . . . . 5194 1 293 . 1 1 24 24 ILE HA H 1 4.110 0.03 . 1 . . . . . . . . 5194 1 294 . 1 1 24 24 ILE CB C 13 34.550 0.3 . 1 . . . . . . . . 5194 1 295 . 1 1 24 24 ILE HB H 1 2.152 0.03 . 1 . . . . . . . . 5194 1 296 . 1 1 24 24 ILE CG1 C 13 25.700 0.3 . 1 . . . . . . . . 5194 1 297 . 1 1 24 24 ILE HG13 H 1 0.940 0.03 . 1 . . . . . . . . 5194 1 298 . 1 1 24 24 ILE HG12 H 1 1.780 0.03 . 1 . . . . . . . . 5194 1 299 . 1 1 24 24 ILE CD1 C 13 8.360 0.3 . 1 . . . . . . . . 5194 1 300 . 1 1 24 24 ILE HD11 H 1 0.370 0.03 . 1 . . . . . . . . 5194 1 301 . 1 1 24 24 ILE HD12 H 1 0.370 0.03 . 1 . . . . . . . . 5194 1 302 . 1 1 24 24 ILE HD13 H 1 0.370 0.03 . 1 . . . . . . . . 5194 1 303 . 1 1 24 24 ILE CG2 C 13 17.500 0.3 . 1 . . . . . . . . 5194 1 304 . 1 1 24 24 ILE HG21 H 1 0.590 0.03 . 1 . . . . . . . . 5194 1 305 . 1 1 24 24 ILE HG22 H 1 0.590 0.03 . 1 . . . . . . . . 5194 1 306 . 1 1 24 24 ILE HG23 H 1 0.590 0.03 . 1 . . . . . . . . 5194 1 307 . 1 1 24 24 ILE C C 13 175.199 0.1 . 1 . . . . . . . . 5194 1 308 . 1 1 25 25 LEU N N 15 130.652 0.2 . 1 . . . . . . . . 5194 1 309 . 1 1 25 25 LEU H H 1 8.333 0.03 . 1 . . . . . . . . 5194 1 310 . 1 1 25 25 LEU CA C 13 58.140 0.3 . 1 . . . . . . . . 5194 1 311 . 1 1 25 25 LEU HA H 1 4.200 0.03 . 1 . . . . . . . . 5194 1 312 . 1 1 25 25 LEU CB C 13 41.502 0.3 . 1 . . . . . . . . 5194 1 313 . 1 1 25 25 LEU HB3 H 1 1.520 0.03 . 2 . . . . . . . . 5194 1 314 . 1 1 25 25 LEU HB2 H 1 1.400 0.03 . 2 . . . . . . . . 5194 1 315 . 1 1 25 25 LEU CG C 13 25.900 0.3 . 1 . . . . . . . . 5194 1 316 . 1 1 25 25 LEU HG H 1 1.600 0.03 . 1 . . . . . . . . 5194 1 317 . 1 1 25 25 LEU CD1 C 13 26.200 0.3 . 1 . . . . . . . . 5194 1 318 . 1 1 25 25 LEU HD11 H 1 0.770 0.03 . 1 . . . . . . . . 5194 1 319 . 1 1 25 25 LEU HD12 H 1 0.770 0.03 . 1 . . . . . . . . 5194 1 320 . 1 1 25 25 LEU HD13 H 1 0.770 0.03 . 1 . . . . . . . . 5194 1 321 . 1 1 25 25 LEU CD2 C 13 23.500 0.3 . 1 . . . . . . . . 5194 1 322 . 1 1 25 25 LEU HD21 H 1 0.800 0.03 . 1 . . . . . . . . 5194 1 323 . 1 1 25 25 LEU HD22 H 1 0.800 0.03 . 1 . . . . . . . . 5194 1 324 . 1 1 25 25 LEU HD23 H 1 0.800 0.03 . 1 . . . . . . . . 5194 1 325 . 1 1 25 25 LEU C C 13 175.350 0.1 . 1 . . . . . . . . 5194 1 326 . 1 1 26 26 GLU N N 15 112.265 0.2 . 1 . . . . . . . . 5194 1 327 . 1 1 26 26 GLU H H 1 7.546 0.03 . 1 . . . . . . . . 5194 1 328 . 1 1 26 26 GLU CA C 13 54.937 0.3 . 1 . . . . . . . . 5194 1 329 . 1 1 26 26 GLU HA H 1 5.153 0.03 . 1 . . . . . . . . 5194 1 330 . 1 1 26 26 GLU CB C 13 33.045 0.3 . 1 . . . . . . . . 5194 1 331 . 1 1 26 26 GLU HB3 H 1 2.390 0.03 . 1 . . . . . . . . 5194 1 332 . 1 1 26 26 GLU HB2 H 1 2.390 0.03 . 1 . . . . . . . . 5194 1 333 . 1 1 26 26 GLU CG C 13 35.178 0.3 . 1 . . . . . . . . 5194 1 334 . 1 1 26 26 GLU HG3 H 1 1.900 0.03 . 2 . . . . . . . . 5194 1 335 . 1 1 26 26 GLU HG2 H 1 2.060 0.03 . 2 . . . . . . . . 5194 1 336 . 1 1 26 26 GLU C C 13 172.341 0.1 . 1 . . . . . . . . 5194 1 337 . 1 1 27 27 ALA N N 15 121.728 0.2 . 1 . . . . . . . . 5194 1 338 . 1 1 27 27 ALA H H 1 9.230 0.03 . 1 . . . . . . . . 5194 1 339 . 1 1 27 27 ALA CA C 13 50.727 0.3 . 1 . . . . . . . . 5194 1 340 . 1 1 27 27 ALA HA H 1 5.650 0.03 . 1 . . . . . . . . 5194 1 341 . 1 1 27 27 ALA CB C 13 22.610 0.3 . 1 . . . . . . . . 5194 1 342 . 1 1 27 27 ALA HB1 H 1 1.590 0.03 . 1 . . . . . . . . 5194 1 343 . 1 1 27 27 ALA HB2 H 1 1.590 0.03 . 1 . . . . . . . . 5194 1 344 . 1 1 27 27 ALA HB3 H 1 1.590 0.03 . 1 . . . . . . . . 5194 1 345 . 1 1 27 27 ALA C C 13 174.564 0.1 . 1 . . . . . . . . 5194 1 346 . 1 1 28 28 LYS N N 15 116.892 0.2 . 1 . . . . . . . . 5194 1 347 . 1 1 28 28 LYS H H 1 9.256 0.03 . 1 . . . . . . . . 5194 1 348 . 1 1 28 28 LYS CA C 13 54.987 0.3 . 1 . . . . . . . . 5194 1 349 . 1 1 28 28 LYS HA H 1 5.470 0.03 . 1 . . . . . . . . 5194 1 350 . 1 1 28 28 LYS CB C 13 37.783 0.3 . 1 . . . . . . . . 5194 1 351 . 1 1 28 28 LYS HB3 H 1 1.830 0.03 . 2 . . . . . . . . 5194 1 352 . 1 1 28 28 LYS HB2 H 1 1.730 0.03 . 2 . . . . . . . . 5194 1 353 . 1 1 28 28 LYS CG C 13 24.392 0.3 . 1 . . . . . . . . 5194 1 354 . 1 1 28 28 LYS HG3 H 1 1.350 0.03 . 1 . . . . . . . . 5194 1 355 . 1 1 28 28 LYS HG2 H 1 1.350 0.03 . 1 . . . . . . . . 5194 1 356 . 1 1 28 28 LYS CD C 13 29.610 0.3 . 1 . . . . . . . . 5194 1 357 . 1 1 28 28 LYS HD3 H 1 1.300 0.03 . 2 . . . . . . . . 5194 1 358 . 1 1 28 28 LYS HD2 H 1 1.200 0.03 . 2 . . . . . . . . 5194 1 359 . 1 1 28 28 LYS CE C 13 41.399 0.3 . 1 . . . . . . . . 5194 1 360 . 1 1 28 28 LYS HE3 H 1 2.300 0.03 . 2 . . . . . . . . 5194 1 361 . 1 1 28 28 LYS HE2 H 1 1.960 0.03 . 2 . . . . . . . . 5194 1 362 . 1 1 28 28 LYS C C 13 174.283 0.1 . 1 . . . . . . . . 5194 1 363 . 1 1 29 29 ASN N N 15 115.705 0.2 . 1 . . . . . . . . 5194 1 364 . 1 1 29 29 ASN H H 1 8.700 0.03 . 1 . . . . . . . . 5194 1 365 . 1 1 29 29 ASN CA C 13 53.710 0.3 . 1 . . . . . . . . 5194 1 366 . 1 1 29 29 ASN HA H 1 4.250 0.03 . 1 . . . . . . . . 5194 1 367 . 1 1 29 29 ASN CB C 13 36.990 0.3 . 1 . . . . . . . . 5194 1 368 . 1 1 29 29 ASN HB3 H 1 2.880 0.03 . 1 . . . . . . . . 5194 1 369 . 1 1 29 29 ASN HB2 H 1 2.880 0.03 . 1 . . . . . . . . 5194 1 370 . 1 1 29 29 ASN ND2 N 15 114.500 0.2 . 1 . . . . . . . . 5194 1 371 . 1 1 29 29 ASN HD21 H 1 7.810 0.03 . 2 . . . . . . . . 5194 1 372 . 1 1 29 29 ASN HD22 H 1 6.860 0.03 . 2 . . . . . . . . 5194 1 373 . 1 1 29 29 ASN C C 13 173.880 0.1 . 1 . . . . . . . . 5194 1 374 . 1 1 30 30 LEU N N 15 114.605 0.2 . 1 . . . . . . . . 5194 1 375 . 1 1 30 30 LEU H H 1 8.243 0.03 . 1 . . . . . . . . 5194 1 376 . 1 1 30 30 LEU CA C 13 54.923 0.3 . 1 . . . . . . . . 5194 1 377 . 1 1 30 30 LEU HA H 1 4.580 0.03 . 1 . . . . . . . . 5194 1 378 . 1 1 30 30 LEU CB C 13 42.748 0.3 . 1 . . . . . . . . 5194 1 379 . 1 1 30 30 LEU HB3 H 1 1.370 0.03 . 2 . . . . . . . . 5194 1 380 . 1 1 30 30 LEU HB2 H 1 1.720 0.03 . 2 . . . . . . . . 5194 1 381 . 1 1 30 30 LEU CG C 13 26.300 0.3 . 1 . . . . . . . . 5194 1 382 . 1 1 30 30 LEU HG H 1 1.770 0.03 . 1 . . . . . . . . 5194 1 383 . 1 1 30 30 LEU CD1 C 13 26.980 0.3 . 1 . . . . . . . . 5194 1 384 . 1 1 30 30 LEU HD11 H 1 0.700 0.03 . 1 . . . . . . . . 5194 1 385 . 1 1 30 30 LEU HD12 H 1 0.700 0.03 . 1 . . . . . . . . 5194 1 386 . 1 1 30 30 LEU HD13 H 1 0.700 0.03 . 1 . . . . . . . . 5194 1 387 . 1 1 30 30 LEU CD2 C 13 22.900 0.3 . 1 . . . . . . . . 5194 1 388 . 1 1 30 30 LEU HD21 H 1 0.930 0.03 . 1 . . . . . . . . 5194 1 389 . 1 1 30 30 LEU HD22 H 1 0.930 0.03 . 1 . . . . . . . . 5194 1 390 . 1 1 30 30 LEU HD23 H 1 0.930 0.03 . 1 . . . . . . . . 5194 1 391 . 1 1 30 30 LEU C C 13 176.732 0.1 . 1 . . . . . . . . 5194 1 392 . 1 1 31 31 LYS N N 15 119.726 0.2 . 1 . . . . . . . . 5194 1 393 . 1 1 31 31 LYS H H 1 6.904 0.03 . 1 . . . . . . . . 5194 1 394 . 1 1 31 31 LYS CA C 13 56.546 0.3 . 1 . . . . . . . . 5194 1 395 . 1 1 31 31 LYS HA H 1 4.012 0.03 . 1 . . . . . . . . 5194 1 396 . 1 1 31 31 LYS CB C 13 35.083 0.3 . 1 . . . . . . . . 5194 1 397 . 1 1 31 31 LYS HB3 H 1 1.620 0.03 . 2 . . . . . . . . 5194 1 398 . 1 1 31 31 LYS HB2 H 1 1.860 0.03 . 2 . . . . . . . . 5194 1 399 . 1 1 31 31 LYS CG C 13 25.146 0.3 . 1 . . . . . . . . 5194 1 400 . 1 1 31 31 LYS HG3 H 1 1.270 0.03 . 2 . . . . . . . . 5194 1 401 . 1 1 31 31 LYS HG2 H 1 1.470 0.03 . 2 . . . . . . . . 5194 1 402 . 1 1 31 31 LYS CD C 13 30.686 0.3 . 1 . . . . . . . . 5194 1 403 . 1 1 31 31 LYS HD3 H 1 1.634 0.03 . 1 . . . . . . . . 5194 1 404 . 1 1 31 31 LYS HD2 H 1 1.634 0.03 . 1 . . . . . . . . 5194 1 405 . 1 1 31 31 LYS CE C 13 42.402 0.3 . 1 . . . . . . . . 5194 1 406 . 1 1 31 31 LYS HE3 H 1 3.015 0.03 . 1 . . . . . . . . 5194 1 407 . 1 1 31 31 LYS HE2 H 1 3.015 0.03 . 1 . . . . . . . . 5194 1 408 . 1 1 31 31 LYS C C 13 175.457 0.1 . 1 . . . . . . . . 5194 1 409 . 1 1 32 32 LYS N N 15 124.491 0.2 . 1 . . . . . . . . 5194 1 410 . 1 1 32 32 LYS H H 1 8.108 0.03 . 1 . . . . . . . . 5194 1 411 . 1 1 32 32 LYS CA C 13 56.933 0.3 . 1 . . . . . . . . 5194 1 412 . 1 1 32 32 LYS HA H 1 3.837 0.03 . 1 . . . . . . . . 5194 1 413 . 1 1 32 32 LYS CB C 13 32.921 0.3 . 1 . . . . . . . . 5194 1 414 . 1 1 32 32 LYS HB3 H 1 1.820 0.03 . 2 . . . . . . . . 5194 1 415 . 1 1 32 32 LYS HB2 H 1 1.760 0.03 . 2 . . . . . . . . 5194 1 416 . 1 1 32 32 LYS CG C 13 25.689 0.3 . 1 . . . . . . . . 5194 1 417 . 1 1 32 32 LYS HG3 H 1 1.700 0.03 . 2 . . . . . . . . 5194 1 418 . 1 1 32 32 LYS HG2 H 1 1.410 0.03 . 2 . . . . . . . . 5194 1 419 . 1 1 32 32 LYS CD C 13 29.913 0.3 . 1 . . . . . . . . 5194 1 420 . 1 1 32 32 LYS HD3 H 1 1.870 0.03 . 2 . . . . . . . . 5194 1 421 . 1 1 32 32 LYS HD2 H 1 1.830 0.03 . 2 . . . . . . . . 5194 1 422 . 1 1 32 32 LYS CE C 13 42.050 0.3 . 1 . . . . . . . . 5194 1 423 . 1 1 32 32 LYS HE3 H 1 3.079 0.03 . 1 . . . . . . . . 5194 1 424 . 1 1 32 32 LYS HE2 H 1 3.079 0.03 . 1 . . . . . . . . 5194 1 425 . 1 1 32 32 LYS C C 13 176.839 0.1 . 1 . . . . . . . . 5194 1 426 . 1 1 33 33 MET N N 15 122.775 0.2 . 1 . . . . . . . . 5194 1 427 . 1 1 33 33 MET H H 1 7.998 0.03 . 1 . . . . . . . . 5194 1 428 . 1 1 33 33 MET CA C 13 53.726 0.3 . 1 . . . . . . . . 5194 1 429 . 1 1 33 33 MET HA H 1 4.858 0.03 . 1 . . . . . . . . 5194 1 430 . 1 1 33 33 MET CB C 13 32.582 0.3 . 1 . . . . . . . . 5194 1 431 . 1 1 33 33 MET HB3 H 1 2.550 0.03 . 2 . . . . . . . . 5194 1 432 . 1 1 33 33 MET HB2 H 1 1.610 0.03 . 2 . . . . . . . . 5194 1 433 . 1 1 33 33 MET CG C 13 32.859 0.3 . 1 . . . . . . . . 5194 1 434 . 1 1 33 33 MET HG3 H 1 2.220 0.03 . 2 . . . . . . . . 5194 1 435 . 1 1 33 33 MET HG2 H 1 2.390 0.03 . 2 . . . . . . . . 5194 1 436 . 1 1 33 33 MET CE C 13 17.000 0.3 . 1 . . . . . . . . 5194 1 437 . 1 1 33 33 MET HE1 H 1 1.960 0.03 . 1 . . . . . . . . 5194 1 438 . 1 1 33 33 MET HE2 H 1 1.960 0.03 . 1 . . . . . . . . 5194 1 439 . 1 1 33 33 MET HE3 H 1 1.960 0.03 . 1 . . . . . . . . 5194 1 440 . 1 1 33 33 MET C C 13 176.262 0.1 . 1 . . . . . . . . 5194 1 441 . 1 1 34 34 ASP N N 15 125.368 0.2 . 1 . . . . . . . . 5194 1 442 . 1 1 34 34 ASP H H 1 8.138 0.03 . 1 . . . . . . . . 5194 1 443 . 1 1 34 34 ASP CA C 13 52.652 0.3 . 1 . . . . . . . . 5194 1 444 . 1 1 34 34 ASP HA H 1 5.180 0.03 . 1 . . . . . . . . 5194 1 445 . 1 1 34 34 ASP CB C 13 41.929 0.3 . 1 . . . . . . . . 5194 1 446 . 1 1 34 34 ASP HB3 H 1 2.453 0.03 . 2 . . . . . . . . 5194 1 447 . 1 1 34 34 ASP HB2 H 1 2.589 0.03 . 2 . . . . . . . . 5194 1 448 . 1 1 34 34 ASP C C 13 175.150 0.1 . 1 . . . . . . . . 5194 1 449 . 1 1 35 35 VAL N N 15 126.079 0.2 . 1 . . . . . . . . 5194 1 450 . 1 1 35 35 VAL H H 1 8.760 0.03 . 1 . . . . . . . . 5194 1 451 . 1 1 35 35 VAL CA C 13 64.570 0.3 . 1 . . . . . . . . 5194 1 452 . 1 1 35 35 VAL HA H 1 3.760 0.03 . 1 . . . . . . . . 5194 1 453 . 1 1 35 35 VAL CB C 13 31.180 0.3 . 1 . . . . . . . . 5194 1 454 . 1 1 35 35 VAL HB H 1 1.980 0.03 . 1 . . . . . . . . 5194 1 455 . 1 1 35 35 VAL CG2 C 13 21.500 0.3 . 1 . . . . . . . . 5194 1 456 . 1 1 35 35 VAL HG21 H 1 1.030 0.03 . 1 . . . . . . . . 5194 1 457 . 1 1 35 35 VAL HG22 H 1 1.030 0.03 . 1 . . . . . . . . 5194 1 458 . 1 1 35 35 VAL HG23 H 1 1.030 0.03 . 1 . . . . . . . . 5194 1 459 . 1 1 35 35 VAL CG1 C 13 20.700 0.3 . 1 . . . . . . . . 5194 1 460 . 1 1 35 35 VAL HG11 H 1 0.930 0.03 . 1 . . . . . . . . 5194 1 461 . 1 1 35 35 VAL HG12 H 1 0.930 0.03 . 1 . . . . . . . . 5194 1 462 . 1 1 35 35 VAL HG13 H 1 0.930 0.03 . 1 . . . . . . . . 5194 1 463 . 1 1 35 35 VAL C C 13 177.840 0.1 . 1 . . . . . . . . 5194 1 464 . 1 1 36 36 GLY N N 15 115.850 0.2 . 1 . . . . . . . . 5194 1 465 . 1 1 36 36 GLY H H 1 8.890 0.03 . 1 . . . . . . . . 5194 1 466 . 1 1 36 36 GLY CA C 13 45.392 0.3 . 1 . . . . . . . . 5194 1 467 . 1 1 36 36 GLY HA3 H 1 3.900 0.03 . 2 . . . . . . . . 5194 1 468 . 1 1 36 36 GLY HA2 H 1 4.020 0.03 . 2 . . . . . . . . 5194 1 469 . 1 1 36 36 GLY C C 13 173.989 0.1 . 1 . . . . . . . . 5194 1 470 . 1 1 37 37 GLY N N 15 109.277 0.2 . 1 . . . . . . . . 5194 1 471 . 1 1 37 37 GLY H H 1 7.725 0.03 . 1 . . . . . . . . 5194 1 472 . 1 1 37 37 GLY CA C 13 44.986 0.3 . 1 . . . . . . . . 5194 1 473 . 1 1 37 37 GLY HA3 H 1 3.598 0.03 . 2 . . . . . . . . 5194 1 474 . 1 1 37 37 GLY HA2 H 1 4.420 0.03 . 2 . . . . . . . . 5194 1 475 . 1 1 37 37 GLY C C 13 172.378 0.1 . 1 . . . . . . . . 5194 1 476 . 1 1 38 38 LEU N N 15 125.062 0.2 . 1 . . . . . . . . 5194 1 477 . 1 1 38 38 LEU H H 1 8.495 0.03 . 1 . . . . . . . . 5194 1 478 . 1 1 38 38 LEU CA C 13 53.446 0.3 . 1 . . . . . . . . 5194 1 479 . 1 1 38 38 LEU HA H 1 4.720 0.03 . 1 . . . . . . . . 5194 1 480 . 1 1 38 38 LEU CB C 13 42.131 0.3 . 1 . . . . . . . . 5194 1 481 . 1 1 38 38 LEU HB3 H 1 1.210 0.03 . 2 . . . . . . . . 5194 1 482 . 1 1 38 38 LEU HB2 H 1 1.650 0.03 . 2 . . . . . . . . 5194 1 483 . 1 1 38 38 LEU CG C 13 26.301 0.3 . 1 . . . . . . . . 5194 1 484 . 1 1 38 38 LEU HG H 1 1.580 0.03 . 1 . . . . . . . . 5194 1 485 . 1 1 38 38 LEU CD1 C 13 26.100 0.3 . 1 . . . . . . . . 5194 1 486 . 1 1 38 38 LEU HD11 H 1 0.830 0.03 . 1 . . . . . . . . 5194 1 487 . 1 1 38 38 LEU HD12 H 1 0.830 0.03 . 1 . . . . . . . . 5194 1 488 . 1 1 38 38 LEU HD13 H 1 0.830 0.03 . 1 . . . . . . . . 5194 1 489 . 1 1 38 38 LEU CD2 C 13 22.900 0.3 . 1 . . . . . . . . 5194 1 490 . 1 1 38 38 LEU HD21 H 1 0.910 0.03 . 1 . . . . . . . . 5194 1 491 . 1 1 38 38 LEU HD22 H 1 0.910 0.03 . 1 . . . . . . . . 5194 1 492 . 1 1 38 38 LEU HD23 H 1 0.910 0.03 . 1 . . . . . . . . 5194 1 493 . 1 1 38 38 LEU C C 13 172.559 0.1 . 1 . . . . . . . . 5194 1 494 . 1 1 39 39 SER N N 15 115.448 0.2 . 1 . . . . . . . . 5194 1 495 . 1 1 39 39 SER H H 1 7.163 0.03 . 1 . . . . . . . . 5194 1 496 . 1 1 39 39 SER CA C 13 57.259 0.3 . 1 . . . . . . . . 5194 1 497 . 1 1 39 39 SER HA H 1 4.491 0.03 . 1 . . . . . . . . 5194 1 498 . 1 1 39 39 SER CB C 13 68.556 0.3 . 1 . . . . . . . . 5194 1 499 . 1 1 39 39 SER HB3 H 1 3.625 0.03 . 1 . . . . . . . . 5194 1 500 . 1 1 39 39 SER HB2 H 1 3.625 0.03 . 1 . . . . . . . . 5194 1 501 . 1 1 39 39 SER C C 13 170.125 0.1 . 1 . . . . . . . . 5194 1 502 . 1 1 40 40 ASP N N 15 121.332 0.2 . 1 . . . . . . . . 5194 1 503 . 1 1 40 40 ASP H H 1 9.289 0.03 . 1 . . . . . . . . 5194 1 504 . 1 1 40 40 ASP CA C 13 51.860 0.3 . 1 . . . . . . . . 5194 1 505 . 1 1 40 40 ASP HA H 1 6.020 0.03 . 1 . . . . . . . . 5194 1 506 . 1 1 40 40 ASP CB C 13 42.490 0.3 . 1 . . . . . . . . 5194 1 507 . 1 1 40 40 ASP HB3 H 1 2.580 0.03 . 2 . . . . . . . . 5194 1 508 . 1 1 40 40 ASP HB2 H 1 3.710 0.03 . 2 . . . . . . . . 5194 1 509 . 1 1 40 40 ASP C C 13 173.590 0.1 . 1 . . . . . . . . 5194 1 510 . 1 1 41 41 PRO CA C 13 62.942 0.3 . 1 . . . . . . . . 5194 1 511 . 1 1 41 41 PRO HA H 1 5.755 0.03 . 1 . . . . . . . . 5194 1 512 . 1 1 41 41 PRO CB C 13 32.786 0.3 . 1 . . . . . . . . 5194 1 513 . 1 1 41 41 PRO HB3 H 1 1.670 0.03 . 2 . . . . . . . . 5194 1 514 . 1 1 41 41 PRO HB2 H 1 1.910 0.03 . 2 . . . . . . . . 5194 1 515 . 1 1 41 41 PRO CG C 13 28.591 0.3 . 1 . . . . . . . . 5194 1 516 . 1 1 41 41 PRO HG3 H 1 1.650 0.03 . 2 . . . . . . . . 5194 1 517 . 1 1 41 41 PRO HG2 H 1 1.950 0.03 . 2 . . . . . . . . 5194 1 518 . 1 1 41 41 PRO CD C 13 51.149 0.3 . 1 . . . . . . . . 5194 1 519 . 1 1 41 41 PRO HD3 H 1 3.440 0.03 . 2 . . . . . . . . 5194 1 520 . 1 1 41 41 PRO HD2 H 1 4.060 0.03 . 2 . . . . . . . . 5194 1 521 . 1 1 41 41 PRO C C 13 179.060 0.1 . 1 . . . . . . . . 5194 1 522 . 1 1 42 42 TYR N N 15 122.751 0.2 . 1 . . . . . . . . 5194 1 523 . 1 1 42 42 TYR H H 1 9.219 0.03 . 1 . . . . . . . . 5194 1 524 . 1 1 42 42 TYR CA C 13 55.547 0.3 . 1 . . . . . . . . 5194 1 525 . 1 1 42 42 TYR HA H 1 4.848 0.03 . 1 . . . . . . . . 5194 1 526 . 1 1 42 42 TYR CB C 13 41.980 0.3 . 1 . . . . . . . . 5194 1 527 . 1 1 42 42 TYR HB3 H 1 2.708 0.03 . 2 . . . . . . . . 5194 1 528 . 1 1 42 42 TYR HB2 H 1 3.003 0.03 . 2 . . . . . . . . 5194 1 529 . 1 1 42 42 TYR CD1 C 13 133.500 0.3 . 1 . . . . . . . . 5194 1 530 . 1 1 42 42 TYR HD1 H 1 6.990 0.03 . 1 . . . . . . . . 5194 1 531 . 1 1 42 42 TYR CE1 C 13 117.700 0.3 . 1 . . . . . . . . 5194 1 532 . 1 1 42 42 TYR HE1 H 1 6.530 0.03 . 1 . . . . . . . . 5194 1 533 . 1 1 42 42 TYR CE2 C 13 117.700 0.3 . 1 . . . . . . . . 5194 1 534 . 1 1 42 42 TYR HE2 H 1 6.530 0.03 . 1 . . . . . . . . 5194 1 535 . 1 1 42 42 TYR CD2 C 13 133.500 0.3 . 1 . . . . . . . . 5194 1 536 . 1 1 42 42 TYR HD2 H 1 6.990 0.03 . 1 . . . . . . . . 5194 1 537 . 1 1 42 42 TYR C C 13 171.015 0.1 . 1 . . . . . . . . 5194 1 538 . 1 1 43 43 VAL N N 15 120.590 0.2 . 1 . . . . . . . . 5194 1 539 . 1 1 43 43 VAL H H 1 8.622 0.03 . 1 . . . . . . . . 5194 1 540 . 1 1 43 43 VAL CA C 13 60.081 0.3 . 1 . . . . . . . . 5194 1 541 . 1 1 43 43 VAL HA H 1 4.932 0.03 . 1 . . . . . . . . 5194 1 542 . 1 1 43 43 VAL CB C 13 33.549 0.3 . 1 . . . . . . . . 5194 1 543 . 1 1 43 43 VAL HB H 1 1.628 0.03 . 1 . . . . . . . . 5194 1 544 . 1 1 43 43 VAL CG2 C 13 21.481 0.3 . 1 . . . . . . . . 5194 1 545 . 1 1 43 43 VAL HG21 H 1 0.460 0.03 . 1 . . . . . . . . 5194 1 546 . 1 1 43 43 VAL HG22 H 1 0.460 0.03 . 1 . . . . . . . . 5194 1 547 . 1 1 43 43 VAL HG23 H 1 0.460 0.03 . 1 . . . . . . . . 5194 1 548 . 1 1 43 43 VAL CG1 C 13 22.400 0.3 . 1 . . . . . . . . 5194 1 549 . 1 1 43 43 VAL HG11 H 1 0.510 0.03 . 1 . . . . . . . . 5194 1 550 . 1 1 43 43 VAL HG12 H 1 0.510 0.03 . 1 . . . . . . . . 5194 1 551 . 1 1 43 43 VAL HG13 H 1 0.510 0.03 . 1 . . . . . . . . 5194 1 552 . 1 1 43 43 VAL C C 13 174.845 0.1 . 1 . . . . . . . . 5194 1 553 . 1 1 44 44 LYS N N 15 125.017 0.2 . 1 . . . . . . . . 5194 1 554 . 1 1 44 44 LYS H H 1 9.060 0.03 . 1 . . . . . . . . 5194 1 555 . 1 1 44 44 LYS CA C 13 54.647 0.3 . 1 . . . . . . . . 5194 1 556 . 1 1 44 44 LYS HA H 1 4.880 0.03 . 1 . . . . . . . . 5194 1 557 . 1 1 44 44 LYS CB C 13 35.998 0.3 . 1 . . . . . . . . 5194 1 558 . 1 1 44 44 LYS HB3 H 1 1.510 0.03 . 2 . . . . . . . . 5194 1 559 . 1 1 44 44 LYS HB2 H 1 1.350 0.03 . 2 . . . . . . . . 5194 1 560 . 1 1 44 44 LYS CG C 13 25.480 0.3 . 1 . . . . . . . . 5194 1 561 . 1 1 44 44 LYS HG3 H 1 1.290 0.03 . 1 . . . . . . . . 5194 1 562 . 1 1 44 44 LYS HG2 H 1 1.290 0.03 . 1 . . . . . . . . 5194 1 563 . 1 1 44 44 LYS CD C 13 30.191 0.3 . 1 . . . . . . . . 5194 1 564 . 1 1 44 44 LYS HD3 H 1 1.670 0.03 . 2 . . . . . . . . 5194 1 565 . 1 1 44 44 LYS HD2 H 1 1.760 0.03 . 2 . . . . . . . . 5194 1 566 . 1 1 44 44 LYS CE C 13 42.040 0.3 . 1 . . . . . . . . 5194 1 567 . 1 1 44 44 LYS HE3 H 1 2.950 0.03 . 1 . . . . . . . . 5194 1 568 . 1 1 44 44 LYS HE2 H 1 2.950 0.03 . 1 . . . . . . . . 5194 1 569 . 1 1 44 44 LYS C C 13 174.802 0.1 . 1 . . . . . . . . 5194 1 570 . 1 1 45 45 ILE N N 15 123.183 0.2 . 1 . . . . . . . . 5194 1 571 . 1 1 45 45 ILE H H 1 8.672 0.03 . 1 . . . . . . . . 5194 1 572 . 1 1 45 45 ILE CA C 13 60.077 0.3 . 1 . . . . . . . . 5194 1 573 . 1 1 45 45 ILE HA H 1 4.800 0.03 . 1 . . . . . . . . 5194 1 574 . 1 1 45 45 ILE CB C 13 41.288 0.3 . 1 . . . . . . . . 5194 1 575 . 1 1 45 45 ILE HB H 1 1.210 0.03 . 1 . . . . . . . . 5194 1 576 . 1 1 45 45 ILE CG1 C 13 29.000 0.3 . 1 . . . . . . . . 5194 1 577 . 1 1 45 45 ILE HG13 H 1 0.480 0.03 . 1 . . . . . . . . 5194 1 578 . 1 1 45 45 ILE HG12 H 1 1.000 0.03 . 1 . . . . . . . . 5194 1 579 . 1 1 45 45 ILE CD1 C 13 16.370 0.3 . 1 . . . . . . . . 5194 1 580 . 1 1 45 45 ILE HD11 H 1 0.110 0.03 . 1 . . . . . . . . 5194 1 581 . 1 1 45 45 ILE HD12 H 1 0.110 0.03 . 1 . . . . . . . . 5194 1 582 . 1 1 45 45 ILE HD13 H 1 0.110 0.03 . 1 . . . . . . . . 5194 1 583 . 1 1 45 45 ILE CG2 C 13 20.260 0.3 . 1 . . . . . . . . 5194 1 584 . 1 1 45 45 ILE HG21 H 1 0.490 0.03 . 1 . . . . . . . . 5194 1 585 . 1 1 45 45 ILE HG22 H 1 0.490 0.03 . 1 . . . . . . . . 5194 1 586 . 1 1 45 45 ILE HG23 H 1 0.490 0.03 . 1 . . . . . . . . 5194 1 587 . 1 1 45 45 ILE C C 13 174.571 0.1 . 1 . . . . . . . . 5194 1 588 . 1 1 46 46 HIS N N 15 123.369 0.2 . 1 . . . . . . . . 5194 1 589 . 1 1 46 46 HIS H H 1 9.130 0.03 . 1 . . . . . . . . 5194 1 590 . 1 1 46 46 HIS CA C 13 54.064 0.3 . 1 . . . . . . . . 5194 1 591 . 1 1 46 46 HIS HA H 1 5.460 0.03 . 1 . . . . . . . . 5194 1 592 . 1 1 46 46 HIS CB C 13 34.334 0.3 . 1 . . . . . . . . 5194 1 593 . 1 1 46 46 HIS HB3 H 1 2.810 0.03 . 2 . . . . . . . . 5194 1 594 . 1 1 46 46 HIS HB2 H 1 2.716 0.03 . 2 . . . . . . . . 5194 1 595 . 1 1 46 46 HIS CD2 C 13 117.200 0.3 . 1 . . . . . . . . 5194 1 596 . 1 1 46 46 HIS HD2 H 1 6.840 0.03 . 1 . . . . . . . . 5194 1 597 . 1 1 46 46 HIS CE1 C 13 138.900 0.3 . 1 . . . . . . . . 5194 1 598 . 1 1 46 46 HIS HE1 H 1 7.700 0.03 . 1 . . . . . . . . 5194 1 599 . 1 1 46 46 HIS C C 13 173.541 0.1 . 1 . . . . . . . . 5194 1 600 . 1 1 47 47 LEU N N 15 124.573 0.2 . 1 . . . . . . . . 5194 1 601 . 1 1 47 47 LEU H H 1 8.380 0.03 . 1 . . . . . . . . 5194 1 602 . 1 1 47 47 LEU CA C 13 53.392 0.3 . 1 . . . . . . . . 5194 1 603 . 1 1 47 47 LEU HA H 1 4.851 0.03 . 1 . . . . . . . . 5194 1 604 . 1 1 47 47 LEU CB C 13 44.025 0.3 . 1 . . . . . . . . 5194 1 605 . 1 1 47 47 LEU HB3 H 1 0.520 0.03 . 2 . . . . . . . . 5194 1 606 . 1 1 47 47 LEU HB2 H 1 1.550 0.03 . 2 . . . . . . . . 5194 1 607 . 1 1 47 47 LEU CG C 13 27.400 0.3 . 1 . . . . . . . . 5194 1 608 . 1 1 47 47 LEU HG H 1 1.230 0.03 . 1 . . . . . . . . 5194 1 609 . 1 1 47 47 LEU CD1 C 13 23.700 0.3 . 1 . . . . . . . . 5194 1 610 . 1 1 47 47 LEU HD11 H 1 0.440 0.03 . 1 . . . . . . . . 5194 1 611 . 1 1 47 47 LEU HD12 H 1 0.440 0.03 . 1 . . . . . . . . 5194 1 612 . 1 1 47 47 LEU HD13 H 1 0.440 0.03 . 1 . . . . . . . . 5194 1 613 . 1 1 47 47 LEU CD2 C 13 26.100 0.3 . 1 . . . . . . . . 5194 1 614 . 1 1 47 47 LEU HD21 H 1 0.660 0.03 . 1 . . . . . . . . 5194 1 615 . 1 1 47 47 LEU HD22 H 1 0.660 0.03 . 1 . . . . . . . . 5194 1 616 . 1 1 47 47 LEU HD23 H 1 0.660 0.03 . 1 . . . . . . . . 5194 1 617 . 1 1 47 47 LEU C C 13 175.409 0.1 . 1 . . . . . . . . 5194 1 618 . 1 1 48 48 MET N N 15 125.305 0.2 . 1 . . . . . . . . 5194 1 619 . 1 1 48 48 MET H H 1 9.264 0.03 . 1 . . . . . . . . 5194 1 620 . 1 1 48 48 MET CA C 13 53.597 0.3 . 1 . . . . . . . . 5194 1 621 . 1 1 48 48 MET HA H 1 5.430 0.03 . 1 . . . . . . . . 5194 1 622 . 1 1 48 48 MET CB C 13 35.907 0.3 . 1 . . . . . . . . 5194 1 623 . 1 1 48 48 MET HB3 H 1 1.880 0.03 . 1 . . . . . . . . 5194 1 624 . 1 1 48 48 MET HB2 H 1 1.880 0.03 . 1 . . . . . . . . 5194 1 625 . 1 1 48 48 MET CG C 13 32.214 0.3 . 1 . . . . . . . . 5194 1 626 . 1 1 48 48 MET HG3 H 1 2.200 0.03 . 1 . . . . . . . . 5194 1 627 . 1 1 48 48 MET HG2 H 1 2.200 0.03 . 1 . . . . . . . . 5194 1 628 . 1 1 48 48 MET CE C 13 16.100 0.3 . 1 . . . . . . . . 5194 1 629 . 1 1 48 48 MET HE1 H 1 1.680 0.03 . 1 . . . . . . . . 5194 1 630 . 1 1 48 48 MET HE2 H 1 1.680 0.03 . 1 . . . . . . . . 5194 1 631 . 1 1 48 48 MET HE3 H 1 1.680 0.03 . 1 . . . . . . . . 5194 1 632 . 1 1 48 48 MET C C 13 174.664 0.1 . 1 . . . . . . . . 5194 1 633 . 1 1 49 49 GLN N N 15 118.561 0.2 . 1 . . . . . . . . 5194 1 634 . 1 1 49 49 GLN H H 1 8.518 0.03 . 1 . . . . . . . . 5194 1 635 . 1 1 49 49 GLN CA C 13 55.900 0.3 . 1 . . . . . . . . 5194 1 636 . 1 1 49 49 GLN HA H 1 4.467 0.03 . 1 . . . . . . . . 5194 1 637 . 1 1 49 49 GLN CB C 13 32.162 0.3 . 1 . . . . . . . . 5194 1 638 . 1 1 49 49 GLN HB3 H 1 1.890 0.03 . 1 . . . . . . . . 5194 1 639 . 1 1 49 49 GLN HB2 H 1 1.890 0.03 . 1 . . . . . . . . 5194 1 640 . 1 1 49 49 GLN CG C 13 33.835 0.3 . 1 . . . . . . . . 5194 1 641 . 1 1 49 49 GLN HG3 H 1 2.040 0.03 . 2 . . . . . . . . 5194 1 642 . 1 1 49 49 GLN HG2 H 1 2.180 0.03 . 2 . . . . . . . . 5194 1 643 . 1 1 49 49 GLN NE2 N 15 108.800 0.2 . 1 . . . . . . . . 5194 1 644 . 1 1 49 49 GLN HE21 H 1 6.860 0.03 . 2 . . . . . . . . 5194 1 645 . 1 1 49 49 GLN HE22 H 1 6.780 0.03 . 2 . . . . . . . . 5194 1 646 . 1 1 49 49 GLN C C 13 175.823 0.1 . 1 . . . . . . . . 5194 1 647 . 1 1 50 50 ASN N N 15 127.504 0.2 . 1 . . . . . . . . 5194 1 648 . 1 1 50 50 ASN H H 1 9.488 0.03 . 1 . . . . . . . . 5194 1 649 . 1 1 50 50 ASN CA C 13 54.049 0.3 . 1 . . . . . . . . 5194 1 650 . 1 1 50 50 ASN HA H 1 4.343 0.03 . 1 . . . . . . . . 5194 1 651 . 1 1 50 50 ASN CB C 13 37.691 0.3 . 1 . . . . . . . . 5194 1 652 . 1 1 50 50 ASN HB3 H 1 2.610 0.03 . 2 . . . . . . . . 5194 1 653 . 1 1 50 50 ASN HB2 H 1 3.088 0.03 . 2 . . . . . . . . 5194 1 654 . 1 1 50 50 ASN ND2 N 15 112.000 0.2 . 1 . . . . . . . . 5194 1 655 . 1 1 50 50 ASN HD21 H 1 7.540 0.03 . 2 . . . . . . . . 5194 1 656 . 1 1 50 50 ASN HD22 H 1 6.860 0.03 . 2 . . . . . . . . 5194 1 657 . 1 1 50 50 ASN C C 13 174.724 0.1 . 1 . . . . . . . . 5194 1 658 . 1 1 51 51 GLY N N 15 104.240 0.2 . 1 . . . . . . . . 5194 1 659 . 1 1 51 51 GLY H H 1 8.976 0.03 . 1 . . . . . . . . 5194 1 660 . 1 1 51 51 GLY CA C 13 45.423 0.3 . 1 . . . . . . . . 5194 1 661 . 1 1 51 51 GLY HA3 H 1 3.564 0.03 . 2 . . . . . . . . 5194 1 662 . 1 1 51 51 GLY HA2 H 1 4.030 0.03 . 2 . . . . . . . . 5194 1 663 . 1 1 51 51 GLY C C 13 173.233 0.1 . 1 . . . . . . . . 5194 1 664 . 1 1 52 52 LYS N N 15 120.531 0.2 . 1 . . . . . . . . 5194 1 665 . 1 1 52 52 LYS H H 1 7.748 0.03 . 1 . . . . . . . . 5194 1 666 . 1 1 52 52 LYS CA C 13 54.342 0.3 . 1 . . . . . . . . 5194 1 667 . 1 1 52 52 LYS HA H 1 4.505 0.03 . 1 . . . . . . . . 5194 1 668 . 1 1 52 52 LYS CB C 13 34.090 0.3 . 1 . . . . . . . . 5194 1 669 . 1 1 52 52 LYS HB3 H 1 1.770 0.03 . 1 . . . . . . . . 5194 1 670 . 1 1 52 52 LYS HB2 H 1 1.770 0.03 . 1 . . . . . . . . 5194 1 671 . 1 1 52 52 LYS CG C 13 24.755 0.3 . 1 . . . . . . . . 5194 1 672 . 1 1 52 52 LYS HG3 H 1 1.300 0.03 . 2 . . . . . . . . 5194 1 673 . 1 1 52 52 LYS HG2 H 1 1.400 0.03 . 2 . . . . . . . . 5194 1 674 . 1 1 52 52 LYS CD C 13 28.958 0.3 . 1 . . . . . . . . 5194 1 675 . 1 1 52 52 LYS HD3 H 1 1.640 0.03 . 1 . . . . . . . . 5194 1 676 . 1 1 52 52 LYS HD2 H 1 1.640 0.03 . 1 . . . . . . . . 5194 1 677 . 1 1 52 52 LYS CE C 13 42.235 0.3 . 1 . . . . . . . . 5194 1 678 . 1 1 52 52 LYS HE3 H 1 2.970 0.03 . 1 . . . . . . . . 5194 1 679 . 1 1 52 52 LYS HE2 H 1 2.970 0.03 . 1 . . . . . . . . 5194 1 680 . 1 1 52 52 LYS C C 13 175.537 0.1 . 1 . . . . . . . . 5194 1 681 . 1 1 53 53 ARG N N 15 123.524 0.2 . 1 . . . . . . . . 5194 1 682 . 1 1 53 53 ARG H H 1 8.696 0.03 . 1 . . . . . . . . 5194 1 683 . 1 1 53 53 ARG CA C 13 56.391 0.3 . 1 . . . . . . . . 5194 1 684 . 1 1 53 53 ARG HA H 1 4.403 0.03 . 1 . . . . . . . . 5194 1 685 . 1 1 53 53 ARG CB C 13 29.652 0.3 . 1 . . . . . . . . 5194 1 686 . 1 1 53 53 ARG HB3 H 1 1.570 0.03 . 2 . . . . . . . . 5194 1 687 . 1 1 53 53 ARG HB2 H 1 1.690 0.03 . 2 . . . . . . . . 5194 1 688 . 1 1 53 53 ARG CG C 13 27.792 0.3 . 1 . . . . . . . . 5194 1 689 . 1 1 53 53 ARG HG3 H 1 1.216 0.03 . 2 . . . . . . . . 5194 1 690 . 1 1 53 53 ARG HG2 H 1 1.500 0.03 . 2 . . . . . . . . 5194 1 691 . 1 1 53 53 ARG CD C 13 43.369 0.3 . 1 . . . . . . . . 5194 1 692 . 1 1 53 53 ARG HD3 H 1 2.820 0.03 . 2 . . . . . . . . 5194 1 693 . 1 1 53 53 ARG HD2 H 1 2.770 0.03 . 2 . . . . . . . . 5194 1 694 . 1 1 53 53 ARG C C 13 175.584 0.1 . 1 . . . . . . . . 5194 1 695 . 1 1 54 54 LEU N N 15 126.825 0.2 . 1 . . . . . . . . 5194 1 696 . 1 1 54 54 LEU H H 1 9.122 0.03 . 1 . . . . . . . . 5194 1 697 . 1 1 54 54 LEU CA C 13 56.210 0.3 . 1 . . . . . . . . 5194 1 698 . 1 1 54 54 LEU HA H 1 4.414 0.03 . 1 . . . . . . . . 5194 1 699 . 1 1 54 54 LEU CB C 13 43.091 0.3 . 1 . . . . . . . . 5194 1 700 . 1 1 54 54 LEU HB3 H 1 1.570 0.03 . 2 . . . . . . . . 5194 1 701 . 1 1 54 54 LEU HB2 H 1 1.640 0.03 . 2 . . . . . . . . 5194 1 702 . 1 1 54 54 LEU CG C 13 27.243 0.3 . 1 . . . . . . . . 5194 1 703 . 1 1 54 54 LEU HG H 1 1.630 0.03 . 1 . . . . . . . . 5194 1 704 . 1 1 54 54 LEU CD1 C 13 25.250 0.3 . 1 . . . . . . . . 5194 1 705 . 1 1 54 54 LEU HD11 H 1 0.840 0.03 . 1 . . . . . . . . 5194 1 706 . 1 1 54 54 LEU HD12 H 1 0.840 0.03 . 1 . . . . . . . . 5194 1 707 . 1 1 54 54 LEU HD13 H 1 0.840 0.03 . 1 . . . . . . . . 5194 1 708 . 1 1 54 54 LEU CD2 C 13 22.650 0.3 . 1 . . . . . . . . 5194 1 709 . 1 1 54 54 LEU HD21 H 1 0.810 0.03 . 1 . . . . . . . . 5194 1 710 . 1 1 54 54 LEU HD22 H 1 0.810 0.03 . 1 . . . . . . . . 5194 1 711 . 1 1 54 54 LEU HD23 H 1 0.810 0.03 . 1 . . . . . . . . 5194 1 712 . 1 1 54 54 LEU C C 13 177.313 0.1 . 1 . . . . . . . . 5194 1 713 . 1 1 55 55 LYS N N 15 115.450 0.2 . 1 . . . . . . . . 5194 1 714 . 1 1 55 55 LYS H H 1 7.461 0.03 . 1 . . . . . . . . 5194 1 715 . 1 1 55 55 LYS CA C 13 54.460 0.3 . 1 . . . . . . . . 5194 1 716 . 1 1 55 55 LYS HA H 1 4.760 0.03 . 1 . . . . . . . . 5194 1 717 . 1 1 55 55 LYS CB C 13 37.159 0.3 . 1 . . . . . . . . 5194 1 718 . 1 1 55 55 LYS HB3 H 1 1.920 0.03 . 2 . . . . . . . . 5194 1 719 . 1 1 55 55 LYS HB2 H 1 1.980 0.03 . 2 . . . . . . . . 5194 1 720 . 1 1 55 55 LYS CG C 13 25.108 0.3 . 1 . . . . . . . . 5194 1 721 . 1 1 55 55 LYS HG3 H 1 1.600 0.03 . 2 . . . . . . . . 5194 1 722 . 1 1 55 55 LYS HG2 H 1 1.720 0.03 . 2 . . . . . . . . 5194 1 723 . 1 1 55 55 LYS CD C 13 28.790 0.3 . 1 . . . . . . . . 5194 1 724 . 1 1 55 55 LYS HD3 H 1 1.960 0.03 . 2 . . . . . . . . 5194 1 725 . 1 1 55 55 LYS HD2 H 1 2.100 0.03 . 2 . . . . . . . . 5194 1 726 . 1 1 55 55 LYS CE C 13 42.409 0.3 . 1 . . . . . . . . 5194 1 727 . 1 1 55 55 LYS HE3 H 1 3.200 0.03 . 2 . . . . . . . . 5194 1 728 . 1 1 55 55 LYS HE2 H 1 3.140 0.03 . 2 . . . . . . . . 5194 1 729 . 1 1 55 55 LYS C C 13 174.373 0.1 . 1 . . . . . . . . 5194 1 730 . 1 1 56 56 LYS N N 15 121.591 0.2 . 1 . . . . . . . . 5194 1 731 . 1 1 56 56 LYS H H 1 8.526 0.03 . 1 . . . . . . . . 5194 1 732 . 1 1 56 56 LYS CA C 13 55.000 0.3 . 1 . . . . . . . . 5194 1 733 . 1 1 56 56 LYS HA H 1 5.359 0.03 . 1 . . . . . . . . 5194 1 734 . 1 1 56 56 LYS CB C 13 35.390 0.3 . 1 . . . . . . . . 5194 1 735 . 1 1 56 56 LYS HB3 H 1 1.680 0.03 . 1 . . . . . . . . 5194 1 736 . 1 1 56 56 LYS HB2 H 1 1.680 0.03 . 1 . . . . . . . . 5194 1 737 . 1 1 56 56 LYS CG C 13 23.500 0.3 . 1 . . . . . . . . 5194 1 738 . 1 1 56 56 LYS HG3 H 1 1.210 0.03 . 2 . . . . . . . . 5194 1 739 . 1 1 56 56 LYS HG2 H 1 1.060 0.03 . 2 . . . . . . . . 5194 1 740 . 1 1 56 56 LYS CD C 13 29.700 0.3 . 1 . . . . . . . . 5194 1 741 . 1 1 56 56 LYS HD3 H 1 1.550 0.03 . 1 . . . . . . . . 5194 1 742 . 1 1 56 56 LYS HD2 H 1 1.550 0.03 . 1 . . . . . . . . 5194 1 743 . 1 1 56 56 LYS CE C 13 41.900 0.3 . 1 . . . . . . . . 5194 1 744 . 1 1 56 56 LYS HE3 H 1 2.910 0.03 . 1 . . . . . . . . 5194 1 745 . 1 1 56 56 LYS HE2 H 1 2.910 0.03 . 1 . . . . . . . . 5194 1 746 . 1 1 56 56 LYS C C 13 174.745 0.1 . 1 . . . . . . . . 5194 1 747 . 1 1 57 57 LYS N N 15 121.960 0.2 . 1 . . . . . . . . 5194 1 748 . 1 1 57 57 LYS H H 1 8.910 0.03 . 1 . . . . . . . . 5194 1 749 . 1 1 57 57 LYS CA C 13 53.512 0.3 . 1 . . . . . . . . 5194 1 750 . 1 1 57 57 LYS HA H 1 4.770 0.03 . 1 . . . . . . . . 5194 1 751 . 1 1 57 57 LYS CB C 13 37.835 0.3 . 1 . . . . . . . . 5194 1 752 . 1 1 57 57 LYS HB3 H 1 1.580 0.03 . 2 . . . . . . . . 5194 1 753 . 1 1 57 57 LYS HB2 H 1 1.120 0.03 . 2 . . . . . . . . 5194 1 754 . 1 1 57 57 LYS CG C 13 26.270 0.3 . 1 . . . . . . . . 5194 1 755 . 1 1 57 57 LYS HG3 H 1 1.320 0.03 . 2 . . . . . . . . 5194 1 756 . 1 1 57 57 LYS HG2 H 1 1.200 0.03 . 2 . . . . . . . . 5194 1 757 . 1 1 57 57 LYS CD C 13 28.830 0.3 . 1 . . . . . . . . 5194 1 758 . 1 1 57 57 LYS HD3 H 1 1.650 0.03 . 2 . . . . . . . . 5194 1 759 . 1 1 57 57 LYS HD2 H 1 2.080 0.03 . 2 . . . . . . . . 5194 1 760 . 1 1 57 57 LYS CE C 13 42.680 0.3 . 1 . . . . . . . . 5194 1 761 . 1 1 57 57 LYS HE3 H 1 2.840 0.03 . 2 . . . . . . . . 5194 1 762 . 1 1 57 57 LYS HE2 H 1 2.750 0.03 . 2 . . . . . . . . 5194 1 763 . 1 1 57 57 LYS C C 13 174.780 0.1 . 1 . . . . . . . . 5194 1 764 . 1 1 58 58 LYS N N 15 118.768 0.2 . 1 . . . . . . . . 5194 1 765 . 1 1 58 58 LYS H H 1 8.398 0.03 . 1 . . . . . . . . 5194 1 766 . 1 1 58 58 LYS CA C 13 55.021 0.3 . 1 . . . . . . . . 5194 1 767 . 1 1 58 58 LYS HA H 1 5.390 0.03 . 1 . . . . . . . . 5194 1 768 . 1 1 58 58 LYS CB C 13 36.509 0.3 . 1 . . . . . . . . 5194 1 769 . 1 1 58 58 LYS HB3 H 1 1.820 0.03 . 2 . . . . . . . . 5194 1 770 . 1 1 58 58 LYS HB2 H 1 1.900 0.03 . 2 . . . . . . . . 5194 1 771 . 1 1 58 58 LYS CG C 13 23.373 0.3 . 1 . . . . . . . . 5194 1 772 . 1 1 58 58 LYS HG3 H 1 1.550 0.03 . 2 . . . . . . . . 5194 1 773 . 1 1 58 58 LYS HG2 H 1 1.380 0.03 . 2 . . . . . . . . 5194 1 774 . 1 1 58 58 LYS CD C 13 30.014 0.3 . 1 . . . . . . . . 5194 1 775 . 1 1 58 58 LYS HD3 H 1 1.670 0.03 . 1 . . . . . . . . 5194 1 776 . 1 1 58 58 LYS HD2 H 1 1.670 0.03 . 1 . . . . . . . . 5194 1 777 . 1 1 58 58 LYS CE C 13 42.195 0.3 . 1 . . . . . . . . 5194 1 778 . 1 1 58 58 LYS HE3 H 1 2.920 0.03 . 1 . . . . . . . . 5194 1 779 . 1 1 58 58 LYS HE2 H 1 2.920 0.03 . 1 . . . . . . . . 5194 1 780 . 1 1 58 58 LYS C C 13 174.835 0.1 . 1 . . . . . . . . 5194 1 781 . 1 1 59 59 THR N N 15 110.742 0.2 . 1 . . . . . . . . 5194 1 782 . 1 1 59 59 THR H H 1 8.705 0.03 . 1 . . . . . . . . 5194 1 783 . 1 1 59 59 THR CA C 13 60.943 0.3 . 1 . . . . . . . . 5194 1 784 . 1 1 59 59 THR HA H 1 4.970 0.03 . 1 . . . . . . . . 5194 1 785 . 1 1 59 59 THR CB C 13 73.145 0.3 . 1 . . . . . . . . 5194 1 786 . 1 1 59 59 THR HB H 1 4.820 0.03 . 1 . . . . . . . . 5194 1 787 . 1 1 59 59 THR CG2 C 13 20.400 0.3 . 1 . . . . . . . . 5194 1 788 . 1 1 59 59 THR HG21 H 1 0.890 0.03 . 1 . . . . . . . . 5194 1 789 . 1 1 59 59 THR HG22 H 1 0.890 0.03 . 1 . . . . . . . . 5194 1 790 . 1 1 59 59 THR HG23 H 1 0.890 0.03 . 1 . . . . . . . . 5194 1 791 . 1 1 59 59 THR HG1 H 1 5.720 0.03 . 1 . . . . . . . . 5194 1 792 . 1 1 59 59 THR C C 13 175.698 0.1 . 1 . . . . . . . . 5194 1 793 . 1 1 60 60 THR N N 15 110.101 0.2 . 1 . . . . . . . . 5194 1 794 . 1 1 60 60 THR H H 1 9.521 0.03 . 1 . . . . . . . . 5194 1 795 . 1 1 60 60 THR CA C 13 62.773 0.3 . 1 . . . . . . . . 5194 1 796 . 1 1 60 60 THR HA H 1 4.290 0.03 . 1 . . . . . . . . 5194 1 797 . 1 1 60 60 THR CB C 13 70.868 0.3 . 1 . . . . . . . . 5194 1 798 . 1 1 60 60 THR HB H 1 4.350 0.03 . 1 . . . . . . . . 5194 1 799 . 1 1 60 60 THR CG2 C 13 22.180 0.3 . 1 . . . . . . . . 5194 1 800 . 1 1 60 60 THR HG21 H 1 1.433 0.03 . 1 . . . . . . . . 5194 1 801 . 1 1 60 60 THR HG22 H 1 1.433 0.03 . 1 . . . . . . . . 5194 1 802 . 1 1 60 60 THR HG23 H 1 1.433 0.03 . 1 . . . . . . . . 5194 1 803 . 1 1 60 60 THR C C 13 173.755 0.1 . 1 . . . . . . . . 5194 1 804 . 1 1 61 61 ILE N N 15 119.223 0.2 . 1 . . . . . . . . 5194 1 805 . 1 1 61 61 ILE H H 1 8.082 0.03 . 1 . . . . . . . . 5194 1 806 . 1 1 61 61 ILE CA C 13 61.069 0.3 . 1 . . . . . . . . 5194 1 807 . 1 1 61 61 ILE HA H 1 4.331 0.03 . 1 . . . . . . . . 5194 1 808 . 1 1 61 61 ILE CB C 13 40.121 0.3 . 1 . . . . . . . . 5194 1 809 . 1 1 61 61 ILE HB H 1 1.310 0.03 . 1 . . . . . . . . 5194 1 810 . 1 1 61 61 ILE CG1 C 13 28.340 0.3 . 1 . . . . . . . . 5194 1 811 . 1 1 61 61 ILE HG13 H 1 1.260 0.03 . 1 . . . . . . . . 5194 1 812 . 1 1 61 61 ILE HG12 H 1 0.370 0.03 . 1 . . . . . . . . 5194 1 813 . 1 1 61 61 ILE CD1 C 13 14.089 0.3 . 1 . . . . . . . . 5194 1 814 . 1 1 61 61 ILE HD11 H 1 0.000 0.03 . 1 . . . . . . . . 5194 1 815 . 1 1 61 61 ILE HD12 H 1 0.000 0.03 . 1 . . . . . . . . 5194 1 816 . 1 1 61 61 ILE HD13 H 1 0.000 0.03 . 1 . . . . . . . . 5194 1 817 . 1 1 61 61 ILE CG2 C 13 18.110 0.3 . 1 . . . . . . . . 5194 1 818 . 1 1 61 61 ILE HG21 H 1 0.520 0.03 . 1 . . . . . . . . 5194 1 819 . 1 1 61 61 ILE HG22 H 1 0.520 0.03 . 1 . . . . . . . . 5194 1 820 . 1 1 61 61 ILE HG23 H 1 0.520 0.03 . 1 . . . . . . . . 5194 1 821 . 1 1 61 61 ILE C C 13 176.847 0.1 . 1 . . . . . . . . 5194 1 822 . 1 1 62 62 LYS N N 15 127.408 0.2 . 1 . . . . . . . . 5194 1 823 . 1 1 62 62 LYS H H 1 7.989 0.03 . 1 . . . . . . . . 5194 1 824 . 1 1 62 62 LYS CA C 13 52.097 0.3 . 1 . . . . . . . . 5194 1 825 . 1 1 62 62 LYS HA H 1 4.710 0.03 . 1 . . . . . . . . 5194 1 826 . 1 1 62 62 LYS CB C 13 31.702 0.3 . 1 . . . . . . . . 5194 1 827 . 1 1 62 62 LYS HB3 H 1 1.680 0.03 . 1 . . . . . . . . 5194 1 828 . 1 1 62 62 LYS HB2 H 1 1.680 0.03 . 1 . . . . . . . . 5194 1 829 . 1 1 62 62 LYS CG C 13 24.840 0.3 . 1 . . . . . . . . 5194 1 830 . 1 1 62 62 LYS HG3 H 1 0.820 0.03 . 2 . . . . . . . . 5194 1 831 . 1 1 62 62 LYS HG2 H 1 1.190 0.03 . 2 . . . . . . . . 5194 1 832 . 1 1 62 62 LYS CD C 13 27.659 0.3 . 1 . . . . . . . . 5194 1 833 . 1 1 62 62 LYS HD3 H 1 1.500 0.03 . 2 . . . . . . . . 5194 1 834 . 1 1 62 62 LYS HD2 H 1 1.590 0.03 . 2 . . . . . . . . 5194 1 835 . 1 1 62 62 LYS CE C 13 42.500 0.3 . 1 . . . . . . . . 5194 1 836 . 1 1 62 62 LYS HE3 H 1 2.760 0.03 . 2 . . . . . . . . 5194 1 837 . 1 1 62 62 LYS HE2 H 1 2.920 0.03 . 2 . . . . . . . . 5194 1 838 . 1 1 62 62 LYS C C 13 174.100 0.1 . 1 . . . . . . . . 5194 1 839 . 1 1 63 63 LYS N N 15 118.475 0.2 . 1 . . . . . . . . 5194 1 840 . 1 1 63 63 LYS H H 1 8.035 0.03 . 1 . . . . . . . . 5194 1 841 . 1 1 63 63 LYS CA C 13 55.312 0.3 . 1 . . . . . . . . 5194 1 842 . 1 1 63 63 LYS HA H 1 4.760 0.03 . 1 . . . . . . . . 5194 1 843 . 1 1 63 63 LYS CB C 13 33.632 0.3 . 1 . . . . . . . . 5194 1 844 . 1 1 63 63 LYS HB3 H 1 1.730 0.03 . 1 . . . . . . . . 5194 1 845 . 1 1 63 63 LYS HB2 H 1 1.730 0.03 . 1 . . . . . . . . 5194 1 846 . 1 1 63 63 LYS CG C 13 25.247 0.3 . 1 . . . . . . . . 5194 1 847 . 1 1 63 63 LYS HG3 H 1 1.510 0.03 . 2 . . . . . . . . 5194 1 848 . 1 1 63 63 LYS HG2 H 1 1.303 0.03 . 2 . . . . . . . . 5194 1 849 . 1 1 63 63 LYS CD C 13 28.918 0.3 . 1 . . . . . . . . 5194 1 850 . 1 1 63 63 LYS HD3 H 1 1.660 0.03 . 1 . . . . . . . . 5194 1 851 . 1 1 63 63 LYS HD2 H 1 1.660 0.03 . 1 . . . . . . . . 5194 1 852 . 1 1 63 63 LYS CE C 13 42.068 0.3 . 1 . . . . . . . . 5194 1 853 . 1 1 63 63 LYS HE3 H 1 2.930 0.03 . 1 . . . . . . . . 5194 1 854 . 1 1 63 63 LYS HE2 H 1 2.930 0.03 . 1 . . . . . . . . 5194 1 855 . 1 1 63 63 LYS C C 13 177.473 0.1 . 1 . . . . . . . . 5194 1 856 . 1 1 64 64 ASN N N 15 122.993 0.2 . 1 . . . . . . . . 5194 1 857 . 1 1 64 64 ASN H H 1 9.757 0.03 . 1 . . . . . . . . 5194 1 858 . 1 1 64 64 ASN CA C 13 53.800 0.3 . 1 . . . . . . . . 5194 1 859 . 1 1 64 64 ASN HA H 1 4.300 0.03 . 1 . . . . . . . . 5194 1 860 . 1 1 64 64 ASN CB C 13 38.180 0.3 . 1 . . . . . . . . 5194 1 861 . 1 1 64 64 ASN HB3 H 1 3.070 0.03 . 2 . . . . . . . . 5194 1 862 . 1 1 64 64 ASN HB2 H 1 2.590 0.03 . 2 . . . . . . . . 5194 1 863 . 1 1 64 64 ASN ND2 N 15 112.000 0.2 . 1 . . . . . . . . 5194 1 864 . 1 1 64 64 ASN HD21 H 1 7.540 0.03 . 2 . . . . . . . . 5194 1 865 . 1 1 64 64 ASN HD22 H 1 6.710 0.03 . 2 . . . . . . . . 5194 1 866 . 1 1 64 64 ASN C C 13 173.369 0.1 . 1 . . . . . . . . 5194 1 867 . 1 1 65 65 THR N N 15 112.050 0.2 . 1 . . . . . . . . 5194 1 868 . 1 1 65 65 THR H H 1 8.690 0.03 . 1 . . . . . . . . 5194 1 869 . 1 1 65 65 THR CA C 13 60.574 0.3 . 1 . . . . . . . . 5194 1 870 . 1 1 65 65 THR HA H 1 4.678 0.03 . 1 . . . . . . . . 5194 1 871 . 1 1 65 65 THR CB C 13 68.633 0.3 . 1 . . . . . . . . 5194 1 872 . 1 1 65 65 THR HB H 1 4.198 0.03 . 1 . . . . . . . . 5194 1 873 . 1 1 65 65 THR CG2 C 13 20.449 0.3 . 1 . . . . . . . . 5194 1 874 . 1 1 65 65 THR HG21 H 1 0.809 0.03 . 1 . . . . . . . . 5194 1 875 . 1 1 65 65 THR HG22 H 1 0.809 0.03 . 1 . . . . . . . . 5194 1 876 . 1 1 65 65 THR HG23 H 1 0.809 0.03 . 1 . . . . . . . . 5194 1 877 . 1 1 65 65 THR C C 13 170.016 0.1 . 1 . . . . . . . . 5194 1 878 . 1 1 66 66 LEU N N 15 121.971 0.2 . 1 . . . . . . . . 5194 1 879 . 1 1 66 66 LEU H H 1 8.581 0.03 . 1 . . . . . . . . 5194 1 880 . 1 1 66 66 LEU CA C 13 52.692 0.3 . 1 . . . . . . . . 5194 1 881 . 1 1 66 66 LEU HA H 1 4.570 0.03 . 1 . . . . . . . . 5194 1 882 . 1 1 66 66 LEU CB C 13 40.529 0.3 . 1 . . . . . . . . 5194 1 883 . 1 1 66 66 LEU HB3 H 1 1.600 0.03 . 2 . . . . . . . . 5194 1 884 . 1 1 66 66 LEU HB2 H 1 2.070 0.03 . 2 . . . . . . . . 5194 1 885 . 1 1 66 66 LEU CG C 13 27.000 0.3 . 1 . . . . . . . . 5194 1 886 . 1 1 66 66 LEU HG H 1 1.690 0.03 . 1 . . . . . . . . 5194 1 887 . 1 1 66 66 LEU CD1 C 13 24.800 0.3 . 1 . . . . . . . . 5194 1 888 . 1 1 66 66 LEU HD11 H 1 0.990 0.03 . 1 . . . . . . . . 5194 1 889 . 1 1 66 66 LEU HD12 H 1 0.990 0.03 . 1 . . . . . . . . 5194 1 890 . 1 1 66 66 LEU HD13 H 1 0.990 0.03 . 1 . . . . . . . . 5194 1 891 . 1 1 66 66 LEU CD2 C 13 21.400 0.3 . 1 . . . . . . . . 5194 1 892 . 1 1 66 66 LEU HD21 H 1 0.650 0.03 . 1 . . . . . . . . 5194 1 893 . 1 1 66 66 LEU HD22 H 1 0.650 0.03 . 1 . . . . . . . . 5194 1 894 . 1 1 66 66 LEU HD23 H 1 0.650 0.03 . 1 . . . . . . . . 5194 1 895 . 1 1 66 66 LEU C C 13 175.684 0.1 . 1 . . . . . . . . 5194 1 896 . 1 1 67 67 ASN N N 15 115.618 0.2 . 1 . . . . . . . . 5194 1 897 . 1 1 67 67 ASN H H 1 8.600 0.03 . 1 . . . . . . . . 5194 1 898 . 1 1 67 67 ASN CA C 13 50.980 0.3 . 1 . . . . . . . . 5194 1 899 . 1 1 67 67 ASN HA H 1 5.620 0.03 . 1 . . . . . . . . 5194 1 900 . 1 1 67 67 ASN CB C 13 40.960 0.3 . 1 . . . . . . . . 5194 1 901 . 1 1 67 67 ASN HB3 H 1 2.660 0.03 . 2 . . . . . . . . 5194 1 902 . 1 1 67 67 ASN HB2 H 1 2.780 0.03 . 2 . . . . . . . . 5194 1 903 . 1 1 67 67 ASN ND2 N 15 117.200 0.2 . 1 . . . . . . . . 5194 1 904 . 1 1 67 67 ASN HD21 H 1 7.640 0.03 . 2 . . . . . . . . 5194 1 905 . 1 1 67 67 ASN HD22 H 1 7.330 0.03 . 2 . . . . . . . . 5194 1 906 . 1 1 67 67 ASN C C 13 171.820 0.1 . 1 . . . . . . . . 5194 1 907 . 1 1 68 68 PRO CA C 13 62.511 0.3 . 1 . . . . . . . . 5194 1 908 . 1 1 68 68 PRO HA H 1 4.232 0.03 . 1 . . . . . . . . 5194 1 909 . 1 1 68 68 PRO CB C 13 32.665 0.3 . 1 . . . . . . . . 5194 1 910 . 1 1 68 68 PRO HB3 H 1 1.190 0.03 . 2 . . . . . . . . 5194 1 911 . 1 1 68 68 PRO HB2 H 1 1.620 0.03 . 2 . . . . . . . . 5194 1 912 . 1 1 68 68 PRO CG C 13 28.100 0.3 . 1 . . . . . . . . 5194 1 913 . 1 1 68 68 PRO HG3 H 1 1.870 0.03 . 2 . . . . . . . . 5194 1 914 . 1 1 68 68 PRO HG2 H 1 2.230 0.03 . 2 . . . . . . . . 5194 1 915 . 1 1 68 68 PRO CD C 13 49.788 0.3 . 1 . . . . . . . . 5194 1 916 . 1 1 68 68 PRO HD3 H 1 3.070 0.03 . 2 . . . . . . . . 5194 1 917 . 1 1 68 68 PRO HD2 H 1 3.420 0.03 . 2 . . . . . . . . 5194 1 918 . 1 1 68 68 PRO C C 13 173.560 0.1 . 1 . . . . . . . . 5194 1 919 . 1 1 69 69 TYR N N 15 120.650 0.2 . 1 . . . . . . . . 5194 1 920 . 1 1 69 69 TYR H H 1 8.089 0.03 . 1 . . . . . . . . 5194 1 921 . 1 1 69 69 TYR CA C 13 57.670 0.3 . 1 . . . . . . . . 5194 1 922 . 1 1 69 69 TYR HA H 1 4.574 0.03 . 1 . . . . . . . . 5194 1 923 . 1 1 69 69 TYR CB C 13 40.541 0.3 . 1 . . . . . . . . 5194 1 924 . 1 1 69 69 TYR HB3 H 1 2.875 0.03 . 2 . . . . . . . . 5194 1 925 . 1 1 69 69 TYR HB2 H 1 3.000 0.03 . 2 . . . . . . . . 5194 1 926 . 1 1 69 69 TYR CD1 C 13 132.700 0.3 . 1 . . . . . . . . 5194 1 927 . 1 1 69 69 TYR HD1 H 1 7.030 0.03 . 1 . . . . . . . . 5194 1 928 . 1 1 69 69 TYR CE1 C 13 117.900 0.3 . 1 . . . . . . . . 5194 1 929 . 1 1 69 69 TYR HE1 H 1 6.760 0.03 . 1 . . . . . . . . 5194 1 930 . 1 1 69 69 TYR CE2 C 13 117.900 0.3 . 1 . . . . . . . . 5194 1 931 . 1 1 69 69 TYR HE2 H 1 6.760 0.03 . 1 . . . . . . . . 5194 1 932 . 1 1 69 69 TYR CD2 C 13 132.700 0.3 . 1 . . . . . . . . 5194 1 933 . 1 1 69 69 TYR HD2 H 1 7.030 0.03 . 1 . . . . . . . . 5194 1 934 . 1 1 69 69 TYR C C 13 174.429 0.1 . 1 . . . . . . . . 5194 1 935 . 1 1 70 70 TYR N N 15 122.219 0.2 . 1 . . . . . . . . 5194 1 936 . 1 1 70 70 TYR H H 1 8.142 0.03 . 1 . . . . . . . . 5194 1 937 . 1 1 70 70 TYR CA C 13 59.065 0.3 . 1 . . . . . . . . 5194 1 938 . 1 1 70 70 TYR HA H 1 4.540 0.03 . 1 . . . . . . . . 5194 1 939 . 1 1 70 70 TYR CB C 13 40.394 0.3 . 1 . . . . . . . . 5194 1 940 . 1 1 70 70 TYR HB3 H 1 2.495 0.03 . 2 . . . . . . . . 5194 1 941 . 1 1 70 70 TYR HB2 H 1 2.760 0.03 . 2 . . . . . . . . 5194 1 942 . 1 1 70 70 TYR CD1 C 13 132.900 0.3 . 1 . . . . . . . . 5194 1 943 . 1 1 70 70 TYR HD1 H 1 7.030 0.03 . 1 . . . . . . . . 5194 1 944 . 1 1 70 70 TYR CE1 C 13 117.700 0.3 . 1 . . . . . . . . 5194 1 945 . 1 1 70 70 TYR HE1 H 1 6.480 0.03 . 1 . . . . . . . . 5194 1 946 . 1 1 70 70 TYR CE2 C 13 117.700 0.3 . 1 . . . . . . . . 5194 1 947 . 1 1 70 70 TYR HE2 H 1 6.480 0.03 . 1 . . . . . . . . 5194 1 948 . 1 1 70 70 TYR CD2 C 13 132.900 0.3 . 1 . . . . . . . . 5194 1 949 . 1 1 70 70 TYR HD2 H 1 7.030 0.03 . 1 . . . . . . . . 5194 1 950 . 1 1 70 70 TYR C C 13 175.285 0.1 . 1 . . . . . . . . 5194 1 951 . 1 1 71 71 ASN N N 15 120.343 0.2 . 1 . . . . . . . . 5194 1 952 . 1 1 71 71 ASN H H 1 8.201 0.03 . 1 . . . . . . . . 5194 1 953 . 1 1 71 71 ASN CA C 13 53.912 0.3 . 1 . . . . . . . . 5194 1 954 . 1 1 71 71 ASN HA H 1 4.170 0.03 . 1 . . . . . . . . 5194 1 955 . 1 1 71 71 ASN CB C 13 37.440 0.3 . 1 . . . . . . . . 5194 1 956 . 1 1 71 71 ASN HB3 H 1 2.290 0.03 . 2 . . . . . . . . 5194 1 957 . 1 1 71 71 ASN HB2 H 1 3.310 0.03 . 2 . . . . . . . . 5194 1 958 . 1 1 71 71 ASN ND2 N 15 108.800 0.2 . 1 . . . . . . . . 5194 1 959 . 1 1 71 71 ASN HD21 H 1 7.370 0.03 . 2 . . . . . . . . 5194 1 960 . 1 1 71 71 ASN HD22 H 1 6.540 0.03 . 2 . . . . . . . . 5194 1 961 . 1 1 71 71 ASN C C 13 173.588 0.1 . 1 . . . . . . . . 5194 1 962 . 1 1 72 72 GLU N N 15 117.452 0.2 . 1 . . . . . . . . 5194 1 963 . 1 1 72 72 GLU H H 1 7.581 0.03 . 1 . . . . . . . . 5194 1 964 . 1 1 72 72 GLU CA C 13 55.440 0.3 . 1 . . . . . . . . 5194 1 965 . 1 1 72 72 GLU HA H 1 4.430 0.03 . 1 . . . . . . . . 5194 1 966 . 1 1 72 72 GLU CB C 13 33.280 0.3 . 1 . . . . . . . . 5194 1 967 . 1 1 72 72 GLU HB3 H 1 1.480 0.03 . 2 . . . . . . . . 5194 1 968 . 1 1 72 72 GLU HB2 H 1 1.980 0.03 . 2 . . . . . . . . 5194 1 969 . 1 1 72 72 GLU CG C 13 36.830 0.3 . 1 . . . . . . . . 5194 1 970 . 1 1 72 72 GLU HG3 H 1 2.180 0.03 . 2 . . . . . . . . 5194 1 971 . 1 1 72 72 GLU HG2 H 1 2.270 0.03 . 2 . . . . . . . . 5194 1 972 . 1 1 72 72 GLU C C 13 173.140 0.1 . 1 . . . . . . . . 5194 1 973 . 1 1 73 73 SER N N 15 117.479 0.2 . 1 . . . . . . . . 5194 1 974 . 1 1 73 73 SER H H 1 8.066 0.03 . 1 . . . . . . . . 5194 1 975 . 1 1 73 73 SER CA C 13 56.697 0.3 . 1 . . . . . . . . 5194 1 976 . 1 1 73 73 SER HA H 1 4.836 0.03 . 1 . . . . . . . . 5194 1 977 . 1 1 73 73 SER CB C 13 64.658 0.3 . 1 . . . . . . . . 5194 1 978 . 1 1 73 73 SER HB3 H 1 3.470 0.03 . 1 . . . . . . . . 5194 1 979 . 1 1 73 73 SER HB2 H 1 3.470 0.03 . 1 . . . . . . . . 5194 1 980 . 1 1 73 73 SER C C 13 172.954 0.1 . 1 . . . . . . . . 5194 1 981 . 1 1 74 74 PHE N N 15 123.427 0.2 . 1 . . . . . . . . 5194 1 982 . 1 1 74 74 PHE H H 1 8.860 0.03 . 1 . . . . . . . . 5194 1 983 . 1 1 74 74 PHE CA C 13 57.040 0.3 . 1 . . . . . . . . 5194 1 984 . 1 1 74 74 PHE HA H 1 4.580 0.03 . 1 . . . . . . . . 5194 1 985 . 1 1 74 74 PHE CB C 13 42.900 0.3 . 1 . . . . . . . . 5194 1 986 . 1 1 74 74 PHE HB3 H 1 2.620 0.03 . 1 . . . . . . . . 5194 1 987 . 1 1 74 74 PHE HB2 H 1 2.620 0.03 . 1 . . . . . . . . 5194 1 988 . 1 1 74 74 PHE CD1 C 13 132.000 0.3 . 1 . . . . . . . . 5194 1 989 . 1 1 74 74 PHE HD1 H 1 7.080 0.03 . 1 . . . . . . . . 5194 1 990 . 1 1 74 74 PHE CE1 C 13 131.200 0.3 . 1 . . . . . . . . 5194 1 991 . 1 1 74 74 PHE HE1 H 1 7.030 0.03 . 1 . . . . . . . . 5194 1 992 . 1 1 74 74 PHE CZ C 13 129.700 0.3 . 1 . . . . . . . . 5194 1 993 . 1 1 74 74 PHE HZ H 1 7.010 0.03 . 1 . . . . . . . . 5194 1 994 . 1 1 74 74 PHE CE2 C 13 131.200 0.3 . 1 . . . . . . . . 5194 1 995 . 1 1 74 74 PHE HE2 H 1 7.030 0.03 . 1 . . . . . . . . 5194 1 996 . 1 1 74 74 PHE CD2 C 13 132.000 0.3 . 1 . . . . . . . . 5194 1 997 . 1 1 74 74 PHE HD2 H 1 7.080 0.03 . 1 . . . . . . . . 5194 1 998 . 1 1 74 74 PHE C C 13 173.559 0.1 . 1 . . . . . . . . 5194 1 999 . 1 1 75 75 SER N N 15 116.926 0.2 . 1 . . . . . . . . 5194 1 1000 . 1 1 75 75 SER H H 1 8.458 0.03 . 1 . . . . . . . . 5194 1 1001 . 1 1 75 75 SER CA C 13 57.214 0.3 . 1 . . . . . . . . 5194 1 1002 . 1 1 75 75 SER HA H 1 5.578 0.03 . 1 . . . . . . . . 5194 1 1003 . 1 1 75 75 SER CB C 13 65.921 0.3 . 1 . . . . . . . . 5194 1 1004 . 1 1 75 75 SER HB3 H 1 3.620 0.03 . 2 . . . . . . . . 5194 1 1005 . 1 1 75 75 SER HB2 H 1 3.602 0.03 . 2 . . . . . . . . 5194 1 1006 . 1 1 75 75 SER C C 13 172.249 0.1 . 1 . . . . . . . . 5194 1 1007 . 1 1 76 76 PHE N N 15 120.189 0.2 . 1 . . . . . . . . 5194 1 1008 . 1 1 76 76 PHE H H 1 9.496 0.03 . 1 . . . . . . . . 5194 1 1009 . 1 1 76 76 PHE CA C 13 56.018 0.3 . 1 . . . . . . . . 5194 1 1010 . 1 1 76 76 PHE HA H 1 4.885 0.03 . 1 . . . . . . . . 5194 1 1011 . 1 1 76 76 PHE CB C 13 43.487 0.3 . 1 . . . . . . . . 5194 1 1012 . 1 1 76 76 PHE HB3 H 1 2.715 0.03 . 2 . . . . . . . . 5194 1 1013 . 1 1 76 76 PHE HB2 H 1 3.070 0.03 . 2 . . . . . . . . 5194 1 1014 . 1 1 76 76 PHE CD1 C 13 132.500 0.3 . 1 . . . . . . . . 5194 1 1015 . 1 1 76 76 PHE HD1 H 1 7.160 0.03 . 1 . . . . . . . . 5194 1 1016 . 1 1 76 76 PHE CE1 C 13 129.600 0.3 . 1 . . . . . . . . 5194 1 1017 . 1 1 76 76 PHE HE1 H 1 6.870 0.03 . 1 . . . . . . . . 5194 1 1018 . 1 1 76 76 PHE CZ C 13 128.800 0.3 . 1 . . . . . . . . 5194 1 1019 . 1 1 76 76 PHE HZ H 1 6.640 0.03 . 1 . . . . . . . . 5194 1 1020 . 1 1 76 76 PHE CE2 C 13 129.600 0.3 . 1 . . . . . . . . 5194 1 1021 . 1 1 76 76 PHE HE2 H 1 6.870 0.03 . 1 . . . . . . . . 5194 1 1022 . 1 1 76 76 PHE CD2 C 13 132.500 0.3 . 1 . . . . . . . . 5194 1 1023 . 1 1 76 76 PHE HD2 H 1 7.160 0.03 . 1 . . . . . . . . 5194 1 1024 . 1 1 76 76 PHE C C 13 174.502 0.1 . 1 . . . . . . . . 5194 1 1025 . 1 1 77 77 GLU N N 15 124.373 0.2 . 1 . . . . . . . . 5194 1 1026 . 1 1 77 77 GLU H H 1 9.021 0.03 . 1 . . . . . . . . 5194 1 1027 . 1 1 77 77 GLU CA C 13 55.939 0.3 . 1 . . . . . . . . 5194 1 1028 . 1 1 77 77 GLU HA H 1 4.960 0.03 . 1 . . . . . . . . 5194 1 1029 . 1 1 77 77 GLU CB C 13 29.322 0.3 . 1 . . . . . . . . 5194 1 1030 . 1 1 77 77 GLU HB3 H 1 2.090 0.03 . 1 . . . . . . . . 5194 1 1031 . 1 1 77 77 GLU HB2 H 1 2.090 0.03 . 1 . . . . . . . . 5194 1 1032 . 1 1 77 77 GLU CG C 13 36.562 0.3 . 1 . . . . . . . . 5194 1 1033 . 1 1 77 77 GLU HG3 H 1 2.300 0.03 . 2 . . . . . . . . 5194 1 1034 . 1 1 77 77 GLU HG2 H 1 2.270 0.03 . 2 . . . . . . . . 5194 1 1035 . 1 1 77 77 GLU C C 13 175.592 0.1 . 1 . . . . . . . . 5194 1 1036 . 1 1 78 78 VAL N N 15 125.286 0.2 . 1 . . . . . . . . 5194 1 1037 . 1 1 78 78 VAL H H 1 8.512 0.03 . 1 . . . . . . . . 5194 1 1038 . 1 1 78 78 VAL CA C 13 59.020 0.3 . 1 . . . . . . . . 5194 1 1039 . 1 1 78 78 VAL HA H 1 4.490 0.03 . 1 . . . . . . . . 5194 1 1040 . 1 1 78 78 VAL CB C 13 35.700 0.3 . 1 . . . . . . . . 5194 1 1041 . 1 1 78 78 VAL HB H 1 2.020 0.03 . 1 . . . . . . . . 5194 1 1042 . 1 1 78 78 VAL CG2 C 13 21.800 0.3 . 1 . . . . . . . . 5194 1 1043 . 1 1 78 78 VAL HG21 H 1 0.840 0.03 . 1 . . . . . . . . 5194 1 1044 . 1 1 78 78 VAL HG22 H 1 0.840 0.03 . 1 . . . . . . . . 5194 1 1045 . 1 1 78 78 VAL HG23 H 1 0.840 0.03 . 1 . . . . . . . . 5194 1 1046 . 1 1 78 78 VAL CG1 C 13 21.800 0.3 . 1 . . . . . . . . 5194 1 1047 . 1 1 78 78 VAL HG11 H 1 0.840 0.03 . 1 . . . . . . . . 5194 1 1048 . 1 1 78 78 VAL HG12 H 1 0.840 0.03 . 1 . . . . . . . . 5194 1 1049 . 1 1 78 78 VAL HG13 H 1 0.840 0.03 . 1 . . . . . . . . 5194 1 1050 . 1 1 78 78 VAL C C 13 171.900 0.1 . 1 . . . . . . . . 5194 1 1051 . 1 1 79 79 PRO CA C 13 62.634 0.3 . 1 . . . . . . . . 5194 1 1052 . 1 1 79 79 PRO HA H 1 4.634 0.03 . 1 . . . . . . . . 5194 1 1053 . 1 1 79 79 PRO CB C 13 32.933 0.3 . 1 . . . . . . . . 5194 1 1054 . 1 1 79 79 PRO HB3 H 1 1.980 0.03 . 2 . . . . . . . . 5194 1 1055 . 1 1 79 79 PRO HB2 H 1 2.545 0.03 . 2 . . . . . . . . 5194 1 1056 . 1 1 79 79 PRO CG C 13 27.626 0.3 . 1 . . . . . . . . 5194 1 1057 . 1 1 79 79 PRO HG3 H 1 2.090 0.03 . 2 . . . . . . . . 5194 1 1058 . 1 1 79 79 PRO HG2 H 1 2.000 0.03 . 2 . . . . . . . . 5194 1 1059 . 1 1 79 79 PRO CD C 13 51.396 0.3 . 1 . . . . . . . . 5194 1 1060 . 1 1 79 79 PRO HD3 H 1 3.710 0.03 . 1 . . . . . . . . 5194 1 1061 . 1 1 79 79 PRO HD2 H 1 3.710 0.03 . 1 . . . . . . . . 5194 1 1062 . 1 1 79 79 PRO C C 13 177.384 0.1 . 1 . . . . . . . . 5194 1 1063 . 1 1 80 80 PHE N N 15 125.683 0.2 . 1 . . . . . . . . 5194 1 1064 . 1 1 80 80 PHE H H 1 9.288 0.03 . 1 . . . . . . . . 5194 1 1065 . 1 1 80 80 PHE CA C 13 60.833 0.3 . 1 . . . . . . . . 5194 1 1066 . 1 1 80 80 PHE HA H 1 4.760 0.03 . 1 . . . . . . . . 5194 1 1067 . 1 1 80 80 PHE CB C 13 38.893 0.3 . 1 . . . . . . . . 5194 1 1068 . 1 1 80 80 PHE HB3 H 1 3.520 0.03 . 2 . . . . . . . . 5194 1 1069 . 1 1 80 80 PHE HB2 H 1 3.060 0.03 . 2 . . . . . . . . 5194 1 1070 . 1 1 80 80 PHE CD1 C 13 131.400 0.3 . 1 . . . . . . . . 5194 1 1071 . 1 1 80 80 PHE HD1 H 1 7.370 0.03 . 3 . . . . . . . . 5194 1 1072 . 1 1 80 80 PHE CE1 C 13 130.200 0.3 . 1 . . . . . . . . 5194 1 1073 . 1 1 80 80 PHE HE1 H 1 7.390 0.03 . 3 . . . . . . . . 5194 1 1074 . 1 1 80 80 PHE CZ C 13 130.200 0.3 . 1 . . . . . . . . 5194 1 1075 . 1 1 80 80 PHE HZ H 1 7.350 0.03 . 1 . . . . . . . . 5194 1 1076 . 1 1 80 80 PHE CE2 C 13 130.200 0.3 . 1 . . . . . . . . 5194 1 1077 . 1 1 80 80 PHE HE2 H 1 7.370 0.03 . 3 . . . . . . . . 5194 1 1078 . 1 1 80 80 PHE CD2 C 13 131.400 0.3 . 1 . . . . . . . . 5194 1 1079 . 1 1 80 80 PHE HD2 H 1 7.390 0.03 . 3 . . . . . . . . 5194 1 1080 . 1 1 80 80 PHE C C 13 177.649 0.1 . 1 . . . . . . . . 5194 1 1081 . 1 1 81 81 GLU N N 15 116.361 0.2 . 1 . . . . . . . . 5194 1 1082 . 1 1 81 81 GLU H H 1 9.172 0.03 . 1 . . . . . . . . 5194 1 1083 . 1 1 81 81 GLU CA C 13 58.787 0.3 . 1 . . . . . . . . 5194 1 1084 . 1 1 81 81 GLU HA H 1 3.970 0.03 . 1 . . . . . . . . 5194 1 1085 . 1 1 81 81 GLU CB C 13 28.653 0.3 . 1 . . . . . . . . 5194 1 1086 . 1 1 81 81 GLU HB3 H 1 2.020 0.03 . 1 . . . . . . . . 5194 1 1087 . 1 1 81 81 GLU HB2 H 1 2.020 0.03 . 1 . . . . . . . . 5194 1 1088 . 1 1 81 81 GLU CG C 13 36.639 0.3 . 1 . . . . . . . . 5194 1 1089 . 1 1 81 81 GLU HG3 H 1 2.260 0.03 . 2 . . . . . . . . 5194 1 1090 . 1 1 81 81 GLU HG2 H 1 2.300 0.03 . 2 . . . . . . . . 5194 1 1091 . 1 1 81 81 GLU C C 13 177.011 0.1 . 1 . . . . . . . . 5194 1 1092 . 1 1 82 82 GLN N N 15 116.481 0.2 . 1 . . . . . . . . 5194 1 1093 . 1 1 82 82 GLN H H 1 8.120 0.03 . 1 . . . . . . . . 5194 1 1094 . 1 1 82 82 GLN CA C 13 55.039 0.3 . 1 . . . . . . . . 5194 1 1095 . 1 1 82 82 GLN HA H 1 4.364 0.03 . 1 . . . . . . . . 5194 1 1096 . 1 1 82 82 GLN CB C 13 30.221 0.3 . 1 . . . . . . . . 5194 1 1097 . 1 1 82 82 GLN HB3 H 1 1.700 0.03 . 2 . . . . . . . . 5194 1 1098 . 1 1 82 82 GLN HB2 H 1 2.240 0.03 . 2 . . . . . . . . 5194 1 1099 . 1 1 82 82 GLN CG C 13 33.502 0.3 . 1 . . . . . . . . 5194 1 1100 . 1 1 82 82 GLN HG3 H 1 2.230 0.03 . 2 . . . . . . . . 5194 1 1101 . 1 1 82 82 GLN HG2 H 1 2.310 0.03 . 2 . . . . . . . . 5194 1 1102 . 1 1 82 82 GLN NE2 N 15 110.300 0.2 . 1 . . . . . . . . 5194 1 1103 . 1 1 82 82 GLN HE21 H 1 7.440 0.03 . 2 . . . . . . . . 5194 1 1104 . 1 1 82 82 GLN HE22 H 1 6.580 0.03 . 2 . . . . . . . . 5194 1 1105 . 1 1 82 82 GLN C C 13 177.709 0.1 . 1 . . . . . . . . 5194 1 1106 . 1 1 83 83 ILE N N 15 120.481 0.2 . 1 . . . . . . . . 5194 1 1107 . 1 1 83 83 ILE H H 1 7.182 0.03 . 1 . . . . . . . . 5194 1 1108 . 1 1 83 83 ILE CA C 13 61.087 0.3 . 1 . . . . . . . . 5194 1 1109 . 1 1 83 83 ILE HA H 1 3.990 0.03 . 1 . . . . . . . . 5194 1 1110 . 1 1 83 83 ILE CB C 13 38.513 0.3 . 1 . . . . . . . . 5194 1 1111 . 1 1 83 83 ILE HB H 1 1.530 0.03 . 1 . . . . . . . . 5194 1 1112 . 1 1 83 83 ILE CG1 C 13 29.530 0.3 . 1 . . . . . . . . 5194 1 1113 . 1 1 83 83 ILE HG13 H 1 1.010 0.03 . 1 . . . . . . . . 5194 1 1114 . 1 1 83 83 ILE HG12 H 1 0.200 0.03 . 1 . . . . . . . . 5194 1 1115 . 1 1 83 83 ILE CD1 C 13 14.895 0.3 . 1 . . . . . . . . 5194 1 1116 . 1 1 83 83 ILE HD11 H 1 0.340 0.03 . 1 . . . . . . . . 5194 1 1117 . 1 1 83 83 ILE HD12 H 1 0.340 0.03 . 1 . . . . . . . . 5194 1 1118 . 1 1 83 83 ILE HD13 H 1 0.340 0.03 . 1 . . . . . . . . 5194 1 1119 . 1 1 83 83 ILE CG2 C 13 19.470 0.3 . 1 . . . . . . . . 5194 1 1120 . 1 1 83 83 ILE HG21 H 1 0.840 0.03 . 1 . . . . . . . . 5194 1 1121 . 1 1 83 83 ILE HG22 H 1 0.840 0.03 . 1 . . . . . . . . 5194 1 1122 . 1 1 83 83 ILE HG23 H 1 0.840 0.03 . 1 . . . . . . . . 5194 1 1123 . 1 1 83 83 ILE C C 13 174.875 0.1 . 1 . . . . . . . . 5194 1 1124 . 1 1 84 84 GLN N N 15 116.286 0.2 . 1 . . . . . . . . 5194 1 1125 . 1 1 84 84 GLN H H 1 8.118 0.03 . 1 . . . . . . . . 5194 1 1126 . 1 1 84 84 GLN CA C 13 56.990 0.3 . 1 . . . . . . . . 5194 1 1127 . 1 1 84 84 GLN HA H 1 4.540 0.03 . 1 . . . . . . . . 5194 1 1128 . 1 1 84 84 GLN CB C 13 27.944 0.3 . 1 . . . . . . . . 5194 1 1129 . 1 1 84 84 GLN HB3 H 1 2.270 0.03 . 2 . . . . . . . . 5194 1 1130 . 1 1 84 84 GLN HB2 H 1 1.820 0.03 . 2 . . . . . . . . 5194 1 1131 . 1 1 84 84 GLN CG C 13 34.269 0.3 . 1 . . . . . . . . 5194 1 1132 . 1 1 84 84 GLN HG3 H 1 2.190 0.03 . 2 . . . . . . . . 5194 1 1133 . 1 1 84 84 GLN HG2 H 1 2.370 0.03 . 2 . . . . . . . . 5194 1 1134 . 1 1 84 84 GLN NE2 N 15 111.300 0.2 . 1 . . . . . . . . 5194 1 1135 . 1 1 84 84 GLN HE21 H 1 7.410 0.03 . 2 . . . . . . . . 5194 1 1136 . 1 1 84 84 GLN HE22 H 1 6.700 0.03 . 2 . . . . . . . . 5194 1 1137 . 1 1 84 84 GLN C C 13 176.512 0.1 . 1 . . . . . . . . 5194 1 1138 . 1 1 85 85 LYS N N 15 114.985 0.2 . 1 . . . . . . . . 5194 1 1139 . 1 1 85 85 LYS H H 1 7.793 0.03 . 1 . . . . . . . . 5194 1 1140 . 1 1 85 85 LYS CA C 13 55.024 0.3 . 1 . . . . . . . . 5194 1 1141 . 1 1 85 85 LYS HA H 1 4.090 0.03 . 1 . . . . . . . . 5194 1 1142 . 1 1 85 85 LYS CB C 13 33.544 0.3 . 1 . . . . . . . . 5194 1 1143 . 1 1 85 85 LYS HB3 H 1 1.800 0.03 . 2 . . . . . . . . 5194 1 1144 . 1 1 85 85 LYS HB2 H 1 1.580 0.03 . 2 . . . . . . . . 5194 1 1145 . 1 1 85 85 LYS CG C 13 24.798 0.3 . 1 . . . . . . . . 5194 1 1146 . 1 1 85 85 LYS HG3 H 1 1.180 0.03 . 2 . . . . . . . . 5194 1 1147 . 1 1 85 85 LYS HG2 H 1 0.960 0.03 . 2 . . . . . . . . 5194 1 1148 . 1 1 85 85 LYS CD C 13 28.789 0.3 . 1 . . . . . . . . 5194 1 1149 . 1 1 85 85 LYS HD3 H 1 1.340 0.03 . 2 . . . . . . . . 5194 1 1150 . 1 1 85 85 LYS HD2 H 1 1.360 0.03 . 2 . . . . . . . . 5194 1 1151 . 1 1 85 85 LYS CE C 13 42.212 0.3 . 1 . . . . . . . . 5194 1 1152 . 1 1 85 85 LYS HE3 H 1 2.820 0.03 . 1 . . . . . . . . 5194 1 1153 . 1 1 85 85 LYS HE2 H 1 2.820 0.03 . 1 . . . . . . . . 5194 1 1154 . 1 1 85 85 LYS C C 13 175.939 0.1 . 1 . . . . . . . . 5194 1 1155 . 1 1 86 86 VAL N N 15 113.392 0.2 . 1 . . . . . . . . 5194 1 1156 . 1 1 86 86 VAL H H 1 6.982 0.03 . 1 . . . . . . . . 5194 1 1157 . 1 1 86 86 VAL CA C 13 60.502 0.3 . 1 . . . . . . . . 5194 1 1158 . 1 1 86 86 VAL HA H 1 4.870 0.03 . 1 . . . . . . . . 5194 1 1159 . 1 1 86 86 VAL CB C 13 34.087 0.3 . 1 . . . . . . . . 5194 1 1160 . 1 1 86 86 VAL HB H 1 2.240 0.03 . 1 . . . . . . . . 5194 1 1161 . 1 1 86 86 VAL CG2 C 13 20.010 0.3 . 1 . . . . . . . . 5194 1 1162 . 1 1 86 86 VAL HG21 H 1 1.010 0.03 . 1 . . . . . . . . 5194 1 1163 . 1 1 86 86 VAL HG22 H 1 1.010 0.03 . 1 . . . . . . . . 5194 1 1164 . 1 1 86 86 VAL HG23 H 1 1.010 0.03 . 1 . . . . . . . . 5194 1 1165 . 1 1 86 86 VAL CG1 C 13 21.700 0.3 . 1 . . . . . . . . 5194 1 1166 . 1 1 86 86 VAL HG11 H 1 0.880 0.03 . 1 . . . . . . . . 5194 1 1167 . 1 1 86 86 VAL HG12 H 1 0.880 0.03 . 1 . . . . . . . . 5194 1 1168 . 1 1 86 86 VAL HG13 H 1 0.880 0.03 . 1 . . . . . . . . 5194 1 1169 . 1 1 86 86 VAL C C 13 174.900 0.1 . 1 . . . . . . . . 5194 1 1170 . 1 1 87 87 GLN N N 15 118.396 0.2 . 1 . . . . . . . . 5194 1 1171 . 1 1 87 87 GLN H H 1 8.552 0.03 . 1 . . . . . . . . 5194 1 1172 . 1 1 87 87 GLN CA C 13 54.358 0.3 . 1 . . . . . . . . 5194 1 1173 . 1 1 87 87 GLN HA H 1 4.615 0.03 . 1 . . . . . . . . 5194 1 1174 . 1 1 87 87 GLN CB C 13 30.973 0.3 . 1 . . . . . . . . 5194 1 1175 . 1 1 87 87 GLN HB3 H 1 1.310 0.03 . 2 . . . . . . . . 5194 1 1176 . 1 1 87 87 GLN HB2 H 1 1.800 0.03 . 2 . . . . . . . . 5194 1 1177 . 1 1 87 87 GLN CG C 13 34.099 0.3 . 1 . . . . . . . . 5194 1 1178 . 1 1 87 87 GLN HG3 H 1 1.980 0.03 . 1 . . . . . . . . 5194 1 1179 . 1 1 87 87 GLN HG2 H 1 1.980 0.03 . 1 . . . . . . . . 5194 1 1180 . 1 1 87 87 GLN NE2 N 15 110.300 0.2 . 1 . . . . . . . . 5194 1 1181 . 1 1 87 87 GLN HE21 H 1 7.260 0.03 . 2 . . . . . . . . 5194 1 1182 . 1 1 87 87 GLN HE22 H 1 6.640 0.03 . 2 . . . . . . . . 5194 1 1183 . 1 1 87 87 GLN C C 13 174.500 0.1 . 1 . . . . . . . . 5194 1 1184 . 1 1 88 88 VAL N N 15 121.990 0.2 . 1 . . . . . . . . 5194 1 1185 . 1 1 88 88 VAL H H 1 8.377 0.03 . 1 . . . . . . . . 5194 1 1186 . 1 1 88 88 VAL CA C 13 61.546 0.3 . 1 . . . . . . . . 5194 1 1187 . 1 1 88 88 VAL HA H 1 4.373 0.03 . 1 . . . . . . . . 5194 1 1188 . 1 1 88 88 VAL CB C 13 32.170 0.3 . 1 . . . . . . . . 5194 1 1189 . 1 1 88 88 VAL HB H 1 1.770 0.03 . 1 . . . . . . . . 5194 1 1190 . 1 1 88 88 VAL CG2 C 13 21.500 0.3 . 1 . . . . . . . . 5194 1 1191 . 1 1 88 88 VAL HG21 H 1 0.640 0.03 . 1 . . . . . . . . 5194 1 1192 . 1 1 88 88 VAL HG22 H 1 0.640 0.03 . 1 . . . . . . . . 5194 1 1193 . 1 1 88 88 VAL HG23 H 1 0.640 0.03 . 1 . . . . . . . . 5194 1 1194 . 1 1 88 88 VAL CG1 C 13 20.640 0.3 . 1 . . . . . . . . 5194 1 1195 . 1 1 88 88 VAL HG11 H 1 0.380 0.03 . 1 . . . . . . . . 5194 1 1196 . 1 1 88 88 VAL HG12 H 1 0.380 0.03 . 1 . . . . . . . . 5194 1 1197 . 1 1 88 88 VAL HG13 H 1 0.380 0.03 . 1 . . . . . . . . 5194 1 1198 . 1 1 88 88 VAL C C 13 173.999 0.1 . 1 . . . . . . . . 5194 1 1199 . 1 1 89 89 VAL N N 15 127.696 0.2 . 1 . . . . . . . . 5194 1 1200 . 1 1 89 89 VAL H H 1 9.022 0.03 . 1 . . . . . . . . 5194 1 1201 . 1 1 89 89 VAL CA C 13 61.146 0.3 . 1 . . . . . . . . 5194 1 1202 . 1 1 89 89 VAL HA H 1 4.362 0.03 . 1 . . . . . . . . 5194 1 1203 . 1 1 89 89 VAL CB C 13 33.124 0.3 . 1 . . . . . . . . 5194 1 1204 . 1 1 89 89 VAL HB H 1 1.835 0.03 . 1 . . . . . . . . 5194 1 1205 . 1 1 89 89 VAL CG2 C 13 21.300 0.3 . 1 . . . . . . . . 5194 1 1206 . 1 1 89 89 VAL HG21 H 1 0.670 0.03 . 1 . . . . . . . . 5194 1 1207 . 1 1 89 89 VAL HG22 H 1 0.670 0.03 . 1 . . . . . . . . 5194 1 1208 . 1 1 89 89 VAL HG23 H 1 0.670 0.03 . 1 . . . . . . . . 5194 1 1209 . 1 1 89 89 VAL CG1 C 13 22.120 0.3 . 1 . . . . . . . . 5194 1 1210 . 1 1 89 89 VAL HG11 H 1 0.790 0.03 . 1 . . . . . . . . 5194 1 1211 . 1 1 89 89 VAL HG12 H 1 0.790 0.03 . 1 . . . . . . . . 5194 1 1212 . 1 1 89 89 VAL HG13 H 1 0.790 0.03 . 1 . . . . . . . . 5194 1 1213 . 1 1 89 89 VAL C C 13 174.933 0.1 . 1 . . . . . . . . 5194 1 1214 . 1 1 90 90 VAL N N 15 130.085 0.2 . 1 . . . . . . . . 5194 1 1215 . 1 1 90 90 VAL H H 1 9.144 0.03 . 1 . . . . . . . . 5194 1 1216 . 1 1 90 90 VAL CA C 13 61.186 0.3 . 1 . . . . . . . . 5194 1 1217 . 1 1 90 90 VAL HA H 1 4.587 0.03 . 1 . . . . . . . . 5194 1 1218 . 1 1 90 90 VAL CB C 13 33.532 0.3 . 1 . . . . . . . . 5194 1 1219 . 1 1 90 90 VAL HB H 1 1.690 0.03 . 1 . . . . . . . . 5194 1 1220 . 1 1 90 90 VAL CG2 C 13 19.500 0.3 . 1 . . . . . . . . 5194 1 1221 . 1 1 90 90 VAL HG21 H 1 0.051 0.03 . 1 . . . . . . . . 5194 1 1222 . 1 1 90 90 VAL HG22 H 1 0.051 0.03 . 1 . . . . . . . . 5194 1 1223 . 1 1 90 90 VAL HG23 H 1 0.051 0.03 . 1 . . . . . . . . 5194 1 1224 . 1 1 90 90 VAL CG1 C 13 21.600 0.3 . 1 . . . . . . . . 5194 1 1225 . 1 1 90 90 VAL HG11 H 1 0.447 0.03 . 1 . . . . . . . . 5194 1 1226 . 1 1 90 90 VAL HG12 H 1 0.447 0.03 . 1 . . . . . . . . 5194 1 1227 . 1 1 90 90 VAL HG13 H 1 0.447 0.03 . 1 . . . . . . . . 5194 1 1228 . 1 1 90 90 VAL C C 13 173.673 0.1 . 1 . . . . . . . . 5194 1 1229 . 1 1 91 91 THR N N 15 122.204 0.2 . 1 . . . . . . . . 5194 1 1230 . 1 1 91 91 THR H H 1 8.793 0.03 . 1 . . . . . . . . 5194 1 1231 . 1 1 91 91 THR CA C 13 61.354 0.3 . 1 . . . . . . . . 5194 1 1232 . 1 1 91 91 THR HA H 1 4.820 0.03 . 1 . . . . . . . . 5194 1 1233 . 1 1 91 91 THR CB C 13 70.568 0.3 . 1 . . . . . . . . 5194 1 1234 . 1 1 91 91 THR HB H 1 3.703 0.03 . 1 . . . . . . . . 5194 1 1235 . 1 1 91 91 THR CG2 C 13 21.600 0.3 . 1 . . . . . . . . 5194 1 1236 . 1 1 91 91 THR HG21 H 1 1.080 0.03 . 1 . . . . . . . . 5194 1 1237 . 1 1 91 91 THR HG22 H 1 1.080 0.03 . 1 . . . . . . . . 5194 1 1238 . 1 1 91 91 THR HG23 H 1 1.080 0.03 . 1 . . . . . . . . 5194 1 1239 . 1 1 91 91 THR C C 13 173.021 0.1 . 1 . . . . . . . . 5194 1 1240 . 1 1 92 92 VAL N N 15 125.396 0.2 . 1 . . . . . . . . 5194 1 1241 . 1 1 92 92 VAL H H 1 8.712 0.03 . 1 . . . . . . . . 5194 1 1242 . 1 1 92 92 VAL CA C 13 61.063 0.3 . 1 . . . . . . . . 5194 1 1243 . 1 1 92 92 VAL HA H 1 4.653 0.03 . 1 . . . . . . . . 5194 1 1244 . 1 1 92 92 VAL CB C 13 32.010 0.3 . 1 . . . . . . . . 5194 1 1245 . 1 1 92 92 VAL HB H 1 1.821 0.03 . 1 . . . . . . . . 5194 1 1246 . 1 1 92 92 VAL CG2 C 13 23.360 0.3 . 1 . . . . . . . . 5194 1 1247 . 1 1 92 92 VAL HG21 H 1 0.850 0.03 . 1 . . . . . . . . 5194 1 1248 . 1 1 92 92 VAL HG22 H 1 0.850 0.03 . 1 . . . . . . . . 5194 1 1249 . 1 1 92 92 VAL HG23 H 1 0.850 0.03 . 1 . . . . . . . . 5194 1 1250 . 1 1 92 92 VAL CG1 C 13 21.860 0.3 . 1 . . . . . . . . 5194 1 1251 . 1 1 92 92 VAL HG11 H 1 0.910 0.03 . 1 . . . . . . . . 5194 1 1252 . 1 1 92 92 VAL HG12 H 1 0.910 0.03 . 1 . . . . . . . . 5194 1 1253 . 1 1 92 92 VAL HG13 H 1 0.910 0.03 . 1 . . . . . . . . 5194 1 1254 . 1 1 92 92 VAL C C 13 174.397 0.1 . 1 . . . . . . . . 5194 1 1255 . 1 1 93 93 LEU N N 15 127.909 0.2 . 1 . . . . . . . . 5194 1 1256 . 1 1 93 93 LEU H H 1 9.003 0.03 . 1 . . . . . . . . 5194 1 1257 . 1 1 93 93 LEU CA C 13 55.152 0.3 . 1 . . . . . . . . 5194 1 1258 . 1 1 93 93 LEU HA H 1 4.890 0.03 . 1 . . . . . . . . 5194 1 1259 . 1 1 93 93 LEU CB C 13 44.804 0.3 . 1 . . . . . . . . 5194 1 1260 . 1 1 93 93 LEU HB3 H 1 1.090 0.03 . 2 . . . . . . . . 5194 1 1261 . 1 1 93 93 LEU HB2 H 1 0.450 0.03 . 2 . . . . . . . . 5194 1 1262 . 1 1 93 93 LEU CG C 13 28.590 0.3 . 1 . . . . . . . . 5194 1 1263 . 1 1 93 93 LEU HG H 1 1.180 0.03 . 1 . . . . . . . . 5194 1 1264 . 1 1 93 93 LEU CD1 C 13 26.800 0.3 . 1 . . . . . . . . 5194 1 1265 . 1 1 93 93 LEU HD11 H 1 0.460 0.03 . 1 . . . . . . . . 5194 1 1266 . 1 1 93 93 LEU HD12 H 1 0.460 0.03 . 1 . . . . . . . . 5194 1 1267 . 1 1 93 93 LEU HD13 H 1 0.460 0.03 . 1 . . . . . . . . 5194 1 1268 . 1 1 93 93 LEU CD2 C 13 26.100 0.3 . 1 . . . . . . . . 5194 1 1269 . 1 1 93 93 LEU HD21 H 1 0.710 0.03 . 1 . . . . . . . . 5194 1 1270 . 1 1 93 93 LEU HD22 H 1 0.710 0.03 . 1 . . . . . . . . 5194 1 1271 . 1 1 93 93 LEU HD23 H 1 0.710 0.03 . 1 . . . . . . . . 5194 1 1272 . 1 1 93 93 LEU C C 13 173.442 0.1 . 1 . . . . . . . . 5194 1 1273 . 1 1 94 94 ASP N N 15 116.654 0.2 . 1 . . . . . . . . 5194 1 1274 . 1 1 94 94 ASP H H 1 8.360 0.03 . 1 . . . . . . . . 5194 1 1275 . 1 1 94 94 ASP CA C 13 51.901 0.3 . 1 . . . . . . . . 5194 1 1276 . 1 1 94 94 ASP HA H 1 4.781 0.03 . 1 . . . . . . . . 5194 1 1277 . 1 1 94 94 ASP CB C 13 44.018 0.3 . 1 . . . . . . . . 5194 1 1278 . 1 1 94 94 ASP HB3 H 1 2.350 0.03 . 2 . . . . . . . . 5194 1 1279 . 1 1 94 94 ASP HB2 H 1 2.633 0.03 . 2 . . . . . . . . 5194 1 1280 . 1 1 94 94 ASP C C 13 175.014 0.1 . 1 . . . . . . . . 5194 1 1281 . 1 1 95 95 TYR N N 15 128.253 0.2 . 1 . . . . . . . . 5194 1 1282 . 1 1 95 95 TYR H H 1 9.520 0.03 . 1 . . . . . . . . 5194 1 1283 . 1 1 95 95 TYR CA C 13 60.021 0.3 . 1 . . . . . . . . 5194 1 1284 . 1 1 95 95 TYR HA H 1 4.471 0.03 . 1 . . . . . . . . 5194 1 1285 . 1 1 95 95 TYR CB C 13 39.236 0.3 . 1 . . . . . . . . 5194 1 1286 . 1 1 95 95 TYR HB3 H 1 3.095 0.03 . 1 . . . . . . . . 5194 1 1287 . 1 1 95 95 TYR HB2 H 1 3.095 0.03 . 1 . . . . . . . . 5194 1 1288 . 1 1 95 95 TYR CD1 C 13 132.700 0.3 . 1 . . . . . . . . 5194 1 1289 . 1 1 95 95 TYR HD1 H 1 6.920 0.03 . 1 . . . . . . . . 5194 1 1290 . 1 1 95 95 TYR CE1 C 13 118.000 0.3 . 1 . . . . . . . . 5194 1 1291 . 1 1 95 95 TYR HE1 H 1 6.660 0.03 . 1 . . . . . . . . 5194 1 1292 . 1 1 95 95 TYR CE2 C 13 118.000 0.3 . 1 . . . . . . . . 5194 1 1293 . 1 1 95 95 TYR HE2 H 1 6.660 0.03 . 1 . . . . . . . . 5194 1 1294 . 1 1 95 95 TYR CD2 C 13 132.700 0.3 . 1 . . . . . . . . 5194 1 1295 . 1 1 95 95 TYR HD2 H 1 6.920 0.03 . 1 . . . . . . . . 5194 1 1296 . 1 1 95 95 TYR C C 13 175.366 0.1 . 1 . . . . . . . . 5194 1 1297 . 1 1 96 96 ASP N N 15 130.803 0.2 . 1 . . . . . . . . 5194 1 1298 . 1 1 96 96 ASP H H 1 7.500 0.03 . 1 . . . . . . . . 5194 1 1299 . 1 1 96 96 ASP CA C 13 53.168 0.3 . 1 . . . . . . . . 5194 1 1300 . 1 1 96 96 ASP HA H 1 4.732 0.03 . 1 . . . . . . . . 5194 1 1301 . 1 1 96 96 ASP CB C 13 42.323 0.3 . 1 . . . . . . . . 5194 1 1302 . 1 1 96 96 ASP HB3 H 1 2.438 0.03 . 2 . . . . . . . . 5194 1 1303 . 1 1 96 96 ASP HB2 H 1 2.664 0.03 . 2 . . . . . . . . 5194 1 1304 . 1 1 96 96 ASP C C 13 173.315 0.1 . 1 . . . . . . . . 5194 1 1305 . 1 1 97 97 LYS N N 15 120.318 0.2 . 1 . . . . . . . . 5194 1 1306 . 1 1 97 97 LYS H H 1 8.117 0.03 . 1 . . . . . . . . 5194 1 1307 . 1 1 97 97 LYS CA C 13 57.571 0.3 . 1 . . . . . . . . 5194 1 1308 . 1 1 97 97 LYS HA H 1 3.930 0.03 . 1 . . . . . . . . 5194 1 1309 . 1 1 97 97 LYS CB C 13 33.445 0.3 . 1 . . . . . . . . 5194 1 1310 . 1 1 97 97 LYS HB3 H 1 1.810 0.03 . 1 . . . . . . . . 5194 1 1311 . 1 1 97 97 LYS HB2 H 1 1.810 0.03 . 1 . . . . . . . . 5194 1 1312 . 1 1 97 97 LYS CG C 13 24.557 0.3 . 1 . . . . . . . . 5194 1 1313 . 1 1 97 97 LYS HG3 H 1 1.360 0.03 . 1 . . . . . . . . 5194 1 1314 . 1 1 97 97 LYS HG2 H 1 1.360 0.03 . 1 . . . . . . . . 5194 1 1315 . 1 1 97 97 LYS CD C 13 29.499 0.3 . 1 . . . . . . . . 5194 1 1316 . 1 1 97 97 LYS HD3 H 1 1.690 0.03 . 1 . . . . . . . . 5194 1 1317 . 1 1 97 97 LYS HD2 H 1 1.690 0.03 . 1 . . . . . . . . 5194 1 1318 . 1 1 97 97 LYS CE C 13 42.230 0.3 . 1 . . . . . . . . 5194 1 1319 . 1 1 97 97 LYS HE3 H 1 3.000 0.03 . 1 . . . . . . . . 5194 1 1320 . 1 1 97 97 LYS HE2 H 1 3.000 0.03 . 1 . . . . . . . . 5194 1 1321 . 1 1 97 97 LYS C C 13 175.728 0.1 . 1 . . . . . . . . 5194 1 1322 . 1 1 98 98 ILE N N 15 117.498 0.2 . 1 . . . . . . . . 5194 1 1323 . 1 1 98 98 ILE H H 1 7.779 0.03 . 1 . . . . . . . . 5194 1 1324 . 1 1 98 98 ILE CA C 13 60.939 0.3 . 1 . . . . . . . . 5194 1 1325 . 1 1 98 98 ILE HA H 1 4.160 0.03 . 1 . . . . . . . . 5194 1 1326 . 1 1 98 98 ILE CB C 13 38.609 0.3 . 1 . . . . . . . . 5194 1 1327 . 1 1 98 98 ILE HB H 1 1.780 0.03 . 1 . . . . . . . . 5194 1 1328 . 1 1 98 98 ILE CG1 C 13 27.540 0.3 . 1 . . . . . . . . 5194 1 1329 . 1 1 98 98 ILE HG13 H 1 1.470 0.03 . 1 . . . . . . . . 5194 1 1330 . 1 1 98 98 ILE HG12 H 1 1.160 0.03 . 1 . . . . . . . . 5194 1 1331 . 1 1 98 98 ILE CD1 C 13 12.872 0.3 . 1 . . . . . . . . 5194 1 1332 . 1 1 98 98 ILE HD11 H 1 0.860 0.03 . 1 . . . . . . . . 5194 1 1333 . 1 1 98 98 ILE HD12 H 1 0.860 0.03 . 1 . . . . . . . . 5194 1 1334 . 1 1 98 98 ILE HD13 H 1 0.860 0.03 . 1 . . . . . . . . 5194 1 1335 . 1 1 98 98 ILE CG2 C 13 17.380 0.3 . 1 . . . . . . . . 5194 1 1336 . 1 1 98 98 ILE HG21 H 1 0.860 0.03 . 1 . . . . . . . . 5194 1 1337 . 1 1 98 98 ILE HG22 H 1 0.860 0.03 . 1 . . . . . . . . 5194 1 1338 . 1 1 98 98 ILE HG23 H 1 0.860 0.03 . 1 . . . . . . . . 5194 1 1339 . 1 1 98 98 ILE C C 13 176.195 0.1 . 1 . . . . . . . . 5194 1 1340 . 1 1 99 99 GLY N N 15 113.408 0.2 . 1 . . . . . . . . 5194 1 1341 . 1 1 99 99 GLY H H 1 8.323 0.03 . 1 . . . . . . . . 5194 1 1342 . 1 1 99 99 GLY CA C 13 44.439 0.3 . 1 . . . . . . . . 5194 1 1343 . 1 1 99 99 GLY HA3 H 1 3.738 0.03 . 2 . . . . . . . . 5194 1 1344 . 1 1 99 99 GLY HA2 H 1 4.192 0.03 . 2 . . . . . . . . 5194 1 1345 . 1 1 99 99 GLY C C 13 173.102 0.1 . 1 . . . . . . . . 5194 1 1346 . 1 1 100 100 LYS N N 15 121.422 0.2 . 1 . . . . . . . . 5194 1 1347 . 1 1 100 100 LYS H H 1 8.147 0.03 . 1 . . . . . . . . 5194 1 1348 . 1 1 100 100 LYS CA C 13 56.122 0.3 . 1 . . . . . . . . 5194 1 1349 . 1 1 100 100 LYS HA H 1 4.320 0.03 . 1 . . . . . . . . 5194 1 1350 . 1 1 100 100 LYS CB C 13 33.416 0.3 . 1 . . . . . . . . 5194 1 1351 . 1 1 100 100 LYS HB3 H 1 1.700 0.03 . 1 . . . . . . . . 5194 1 1352 . 1 1 100 100 LYS HB2 H 1 1.700 0.03 . 1 . . . . . . . . 5194 1 1353 . 1 1 100 100 LYS CG C 13 24.739 0.3 . 1 . . . . . . . . 5194 1 1354 . 1 1 100 100 LYS HG3 H 1 1.330 0.03 . 2 . . . . . . . . 5194 1 1355 . 1 1 100 100 LYS HG2 H 1 1.380 0.03 . 2 . . . . . . . . 5194 1 1356 . 1 1 100 100 LYS CD C 13 29.274 0.3 . 1 . . . . . . . . 5194 1 1357 . 1 1 100 100 LYS HD3 H 1 1.650 0.03 . 1 . . . . . . . . 5194 1 1358 . 1 1 100 100 LYS HD2 H 1 1.650 0.03 . 1 . . . . . . . . 5194 1 1359 . 1 1 100 100 LYS CE C 13 42.231 0.3 . 1 . . . . . . . . 5194 1 1360 . 1 1 100 100 LYS HE3 H 1 2.990 0.03 . 1 . . . . . . . . 5194 1 1361 . 1 1 100 100 LYS HE2 H 1 2.990 0.03 . 1 . . . . . . . . 5194 1 1362 . 1 1 100 100 LYS C C 13 175.352 0.1 . 1 . . . . . . . . 5194 1 1363 . 1 1 101 101 ASN N N 15 123.464 0.2 . 1 . . . . . . . . 5194 1 1364 . 1 1 101 101 ASN H H 1 8.580 0.03 . 1 . . . . . . . . 5194 1 1365 . 1 1 101 101 ASN CA C 13 52.091 0.3 . 1 . . . . . . . . 5194 1 1366 . 1 1 101 101 ASN HA H 1 5.070 0.03 . 1 . . . . . . . . 5194 1 1367 . 1 1 101 101 ASN CB C 13 39.971 0.3 . 1 . . . . . . . . 5194 1 1368 . 1 1 101 101 ASN HB3 H 1 2.800 0.03 . 1 . . . . . . . . 5194 1 1369 . 1 1 101 101 ASN HB2 H 1 2.800 0.03 . 1 . . . . . . . . 5194 1 1370 . 1 1 101 101 ASN ND2 N 15 113.400 0.2 . 1 . . . . . . . . 5194 1 1371 . 1 1 101 101 ASN HD21 H 1 7.560 0.03 . 2 . . . . . . . . 5194 1 1372 . 1 1 101 101 ASN HD22 H 1 6.920 0.03 . 2 . . . . . . . . 5194 1 1373 . 1 1 101 101 ASN C C 13 173.602 0.1 . 1 . . . . . . . . 5194 1 1374 . 1 1 102 102 ASP N N 15 123.216 0.2 . 1 . . . . . . . . 5194 1 1375 . 1 1 102 102 ASP H H 1 8.900 0.03 . 1 . . . . . . . . 5194 1 1376 . 1 1 102 102 ASP CA C 13 53.930 0.3 . 1 . . . . . . . . 5194 1 1377 . 1 1 102 102 ASP HA H 1 4.703 0.03 . 1 . . . . . . . . 5194 1 1378 . 1 1 102 102 ASP CB C 13 43.000 0.3 . 1 . . . . . . . . 5194 1 1379 . 1 1 102 102 ASP HB3 H 1 2.560 0.03 . 2 . . . . . . . . 5194 1 1380 . 1 1 102 102 ASP HB2 H 1 2.590 0.03 . 2 . . . . . . . . 5194 1 1381 . 1 1 102 102 ASP C C 13 175.197 0.1 . 1 . . . . . . . . 5194 1 1382 . 1 1 103 103 ALA N N 15 124.331 0.2 . 1 . . . . . . . . 5194 1 1383 . 1 1 103 103 ALA H H 1 8.920 0.03 . 1 . . . . . . . . 5194 1 1384 . 1 1 103 103 ALA CA C 13 52.546 0.3 . 1 . . . . . . . . 5194 1 1385 . 1 1 103 103 ALA HA H 1 4.308 0.03 . 1 . . . . . . . . 5194 1 1386 . 1 1 103 103 ALA CB C 13 17.865 0.3 . 1 . . . . . . . . 5194 1 1387 . 1 1 103 103 ALA HB1 H 1 1.183 0.03 . 1 . . . . . . . . 5194 1 1388 . 1 1 103 103 ALA HB2 H 1 1.183 0.03 . 1 . . . . . . . . 5194 1 1389 . 1 1 103 103 ALA HB3 H 1 1.183 0.03 . 1 . . . . . . . . 5194 1 1390 . 1 1 103 103 ALA C C 13 177.107 0.1 . 1 . . . . . . . . 5194 1 1391 . 1 1 104 104 ILE N N 15 122.995 0.2 . 1 . . . . . . . . 5194 1 1392 . 1 1 104 104 ILE H H 1 9.462 0.03 . 1 . . . . . . . . 5194 1 1393 . 1 1 104 104 ILE CA C 13 64.487 0.3 . 1 . . . . . . . . 5194 1 1394 . 1 1 104 104 ILE HA H 1 3.926 0.03 . 1 . . . . . . . . 5194 1 1395 . 1 1 104 104 ILE CB C 13 38.789 0.3 . 1 . . . . . . . . 5194 1 1396 . 1 1 104 104 ILE HB H 1 1.463 0.03 . 1 . . . . . . . . 5194 1 1397 . 1 1 104 104 ILE CG1 C 13 28.540 0.3 . 1 . . . . . . . . 5194 1 1398 . 1 1 104 104 ILE HG13 H 1 1.155 0.03 . 1 . . . . . . . . 5194 1 1399 . 1 1 104 104 ILE HG12 H 1 1.645 0.03 . 1 . . . . . . . . 5194 1 1400 . 1 1 104 104 ILE CD1 C 13 14.085 0.3 . 1 . . . . . . . . 5194 1 1401 . 1 1 104 104 ILE HD11 H 1 0.844 0.03 . 1 . . . . . . . . 5194 1 1402 . 1 1 104 104 ILE HD12 H 1 0.844 0.03 . 1 . . . . . . . . 5194 1 1403 . 1 1 104 104 ILE HD13 H 1 0.844 0.03 . 1 . . . . . . . . 5194 1 1404 . 1 1 104 104 ILE CG2 C 13 19.260 0.3 . 1 . . . . . . . . 5194 1 1405 . 1 1 104 104 ILE HG21 H 1 1.000 0.03 . 1 . . . . . . . . 5194 1 1406 . 1 1 104 104 ILE HG22 H 1 1.000 0.03 . 1 . . . . . . . . 5194 1 1407 . 1 1 104 104 ILE HG23 H 1 1.000 0.03 . 1 . . . . . . . . 5194 1 1408 . 1 1 104 104 ILE C C 13 176.161 0.1 . 1 . . . . . . . . 5194 1 1409 . 1 1 105 105 GLY N N 15 99.180 0.2 . 1 . . . . . . . . 5194 1 1410 . 1 1 105 105 GLY H H 1 7.378 0.03 . 1 . . . . . . . . 5194 1 1411 . 1 1 105 105 GLY CA C 13 46.133 0.3 . 1 . . . . . . . . 5194 1 1412 . 1 1 105 105 GLY HA3 H 1 4.147 0.03 . 2 . . . . . . . . 5194 1 1413 . 1 1 105 105 GLY HA2 H 1 3.960 0.03 . 2 . . . . . . . . 5194 1 1414 . 1 1 105 105 GLY C C 13 170.265 0.1 . 1 . . . . . . . . 5194 1 1415 . 1 1 106 106 LYS N N 15 120.162 0.2 . 1 . . . . . . . . 5194 1 1416 . 1 1 106 106 LYS H H 1 9.686 0.03 . 1 . . . . . . . . 5194 1 1417 . 1 1 106 106 LYS CA C 13 55.006 0.3 . 1 . . . . . . . . 5194 1 1418 . 1 1 106 106 LYS HA H 1 5.600 0.03 . 1 . . . . . . . . 5194 1 1419 . 1 1 106 106 LYS CB C 13 39.028 0.3 . 1 . . . . . . . . 5194 1 1420 . 1 1 106 106 LYS HB3 H 1 1.670 0.03 . 1 . . . . . . . . 5194 1 1421 . 1 1 106 106 LYS HB2 H 1 1.670 0.03 . 1 . . . . . . . . 5194 1 1422 . 1 1 106 106 LYS CG C 13 24.219 0.3 . 1 . . . . . . . . 5194 1 1423 . 1 1 106 106 LYS HG3 H 1 1.320 0.03 . 1 . . . . . . . . 5194 1 1424 . 1 1 106 106 LYS HG2 H 1 1.320 0.03 . 1 . . . . . . . . 5194 1 1425 . 1 1 106 106 LYS CD C 13 31.408 0.3 . 1 . . . . . . . . 5194 1 1426 . 1 1 106 106 LYS HD3 H 1 1.450 0.03 . 2 . . . . . . . . 5194 1 1427 . 1 1 106 106 LYS HD2 H 1 1.630 0.03 . 2 . . . . . . . . 5194 1 1428 . 1 1 106 106 LYS CE C 13 41.300 0.3 . 1 . . . . . . . . 5194 1 1429 . 1 1 106 106 LYS HE3 H 1 2.760 0.03 . 2 . . . . . . . . 5194 1 1430 . 1 1 106 106 LYS HE2 H 1 2.510 0.03 . 2 . . . . . . . . 5194 1 1431 . 1 1 106 106 LYS C C 13 173.604 0.1 . 1 . . . . . . . . 5194 1 1432 . 1 1 107 107 VAL N N 15 117.161 0.2 . 1 . . . . . . . . 5194 1 1433 . 1 1 107 107 VAL H H 1 8.967 0.03 . 1 . . . . . . . . 5194 1 1434 . 1 1 107 107 VAL CA C 13 60.720 0.3 . 1 . . . . . . . . 5194 1 1435 . 1 1 107 107 VAL HA H 1 4.710 0.03 . 1 . . . . . . . . 5194 1 1436 . 1 1 107 107 VAL CB C 13 35.450 0.3 . 1 . . . . . . . . 5194 1 1437 . 1 1 107 107 VAL HB H 1 2.260 0.03 . 1 . . . . . . . . 5194 1 1438 . 1 1 107 107 VAL CG2 C 13 21.300 0.3 . 1 . . . . . . . . 5194 1 1439 . 1 1 107 107 VAL HG21 H 1 0.860 0.03 . 1 . . . . . . . . 5194 1 1440 . 1 1 107 107 VAL HG22 H 1 0.860 0.03 . 1 . . . . . . . . 5194 1 1441 . 1 1 107 107 VAL HG23 H 1 0.860 0.03 . 1 . . . . . . . . 5194 1 1442 . 1 1 107 107 VAL CG1 C 13 21.400 0.3 . 1 . . . . . . . . 5194 1 1443 . 1 1 107 107 VAL HG11 H 1 0.950 0.03 . 1 . . . . . . . . 5194 1 1444 . 1 1 107 107 VAL HG12 H 1 0.950 0.03 . 1 . . . . . . . . 5194 1 1445 . 1 1 107 107 VAL HG13 H 1 0.950 0.03 . 1 . . . . . . . . 5194 1 1446 . 1 1 107 107 VAL C C 13 172.140 0.1 . 1 . . . . . . . . 5194 1 1447 . 1 1 108 108 PHE N N 15 121.330 0.2 . 1 . . . . . . . . 5194 1 1448 . 1 1 108 108 PHE H H 1 8.590 0.03 . 1 . . . . . . . . 5194 1 1449 . 1 1 108 108 PHE CA C 13 55.350 0.3 . 1 . . . . . . . . 5194 1 1450 . 1 1 108 108 PHE HA H 1 5.750 0.03 . 1 . . . . . . . . 5194 1 1451 . 1 1 108 108 PHE CB C 13 44.400 0.3 . 1 . . . . . . . . 5194 1 1452 . 1 1 108 108 PHE HB3 H 1 2.630 0.03 . 2 . . . . . . . . 5194 1 1453 . 1 1 108 108 PHE HB2 H 1 2.860 0.03 . 2 . . . . . . . . 5194 1 1454 . 1 1 108 108 PHE CD1 C 13 131.400 0.3 . 1 . . . . . . . . 5194 1 1455 . 1 1 108 108 PHE HD1 H 1 6.700 0.03 . 1 . . . . . . . . 5194 1 1456 . 1 1 108 108 PHE CE1 C 13 131.400 0.3 . 1 . . . . . . . . 5194 1 1457 . 1 1 108 108 PHE HE1 H 1 7.160 0.03 . 1 . . . . . . . . 5194 1 1458 . 1 1 108 108 PHE CZ C 13 129.500 0.3 . 1 . . . . . . . . 5194 1 1459 . 1 1 108 108 PHE HZ H 1 6.930 0.03 . 1 . . . . . . . . 5194 1 1460 . 1 1 108 108 PHE CE2 C 13 131.400 0.3 . 1 . . . . . . . . 5194 1 1461 . 1 1 108 108 PHE HE2 H 1 7.160 0.03 . 1 . . . . . . . . 5194 1 1462 . 1 1 108 108 PHE CD2 C 13 131.400 0.3 . 1 . . . . . . . . 5194 1 1463 . 1 1 108 108 PHE HD2 H 1 6.700 0.03 . 1 . . . . . . . . 5194 1 1464 . 1 1 108 108 PHE C C 13 171.610 0.1 . 1 . . . . . . . . 5194 1 1465 . 1 1 109 109 VAL N N 15 108.900 0.2 . 1 . . . . . . . . 5194 1 1466 . 1 1 109 109 VAL H H 1 8.360 0.03 . 1 . . . . . . . . 5194 1 1467 . 1 1 109 109 VAL CA C 13 58.100 0.3 . 1 . . . . . . . . 5194 1 1468 . 1 1 109 109 VAL HA H 1 4.160 0.03 . 1 . . . . . . . . 5194 1 1469 . 1 1 109 109 VAL CB C 13 35.100 0.3 . 1 . . . . . . . . 5194 1 1470 . 1 1 109 109 VAL HB H 1 2.170 0.03 . 1 . . . . . . . . 5194 1 1471 . 1 1 109 109 VAL CG2 C 13 19.800 0.3 . 1 . . . . . . . . 5194 1 1472 . 1 1 109 109 VAL HG21 H 1 0.920 0.03 . 1 . . . . . . . . 5194 1 1473 . 1 1 109 109 VAL HG22 H 1 0.920 0.03 . 1 . . . . . . . . 5194 1 1474 . 1 1 109 109 VAL HG23 H 1 0.920 0.03 . 1 . . . . . . . . 5194 1 1475 . 1 1 109 109 VAL CG1 C 13 21.800 0.3 . 1 . . . . . . . . 5194 1 1476 . 1 1 109 109 VAL HG11 H 1 0.940 0.03 . 1 . . . . . . . . 5194 1 1477 . 1 1 109 109 VAL HG12 H 1 0.940 0.03 . 1 . . . . . . . . 5194 1 1478 . 1 1 109 109 VAL HG13 H 1 0.940 0.03 . 1 . . . . . . . . 5194 1 1479 . 1 1 109 109 VAL C C 13 173.300 0.1 . 1 . . . . . . . . 5194 1 1480 . 1 1 110 110 GLY N N 15 104.400 0.2 . 1 . . . . . . . . 5194 1 1481 . 1 1 110 110 GLY H H 1 5.890 0.03 . 1 . . . . . . . . 5194 1 1482 . 1 1 110 110 GLY CA C 13 41.900 0.3 . 1 . . . . . . . . 5194 1 1483 . 1 1 110 110 GLY HA3 H 1 3.570 0.03 . 1 . . . . . . . . 5194 1 1484 . 1 1 110 110 GLY HA2 H 1 3.570 0.03 . 1 . . . . . . . . 5194 1 1485 . 1 1 111 111 TYR N N 15 126.100 0.2 . 1 . . . . . . . . 5194 1 1486 . 1 1 111 111 TYR H H 1 8.240 0.03 . 1 . . . . . . . . 5194 1 1487 . 1 1 111 111 TYR CA C 13 59.600 0.3 . 1 . . . . . . . . 5194 1 1488 . 1 1 111 111 TYR HA H 1 4.120 0.03 . 1 . . . . . . . . 5194 1 1489 . 1 1 111 111 TYR CB C 13 38.000 0.3 . 1 . . . . . . . . 5194 1 1490 . 1 1 111 111 TYR HB3 H 1 3.060 0.03 . 1 . . . . . . . . 5194 1 1491 . 1 1 111 111 TYR HB2 H 1 3.060 0.03 . 1 . . . . . . . . 5194 1 1492 . 1 1 111 111 TYR CD1 C 13 132.700 0.3 . 1 . . . . . . . . 5194 1 1493 . 1 1 111 111 TYR HD1 H 1 7.060 0.03 . 1 . . . . . . . . 5194 1 1494 . 1 1 111 111 TYR CE1 C 13 118.200 0.3 . 1 . . . . . . . . 5194 1 1495 . 1 1 111 111 TYR HE1 H 1 6.770 0.03 . 1 . . . . . . . . 5194 1 1496 . 1 1 111 111 TYR CE2 C 13 118.200 0.3 . 1 . . . . . . . . 5194 1 1497 . 1 1 111 111 TYR HE2 H 1 6.770 0.03 . 1 . . . . . . . . 5194 1 1498 . 1 1 111 111 TYR CD2 C 13 132.700 0.3 . 1 . . . . . . . . 5194 1 1499 . 1 1 111 111 TYR HD2 H 1 7.060 0.03 . 1 . . . . . . . . 5194 1 1500 . 1 1 111 111 TYR C C 13 175.350 0.1 . 1 . . . . . . . . 5194 1 1501 . 1 1 112 112 ASN CA C 13 53.800 0.3 . 1 . . . . . . . . 5194 1 1502 . 1 1 112 112 ASN HA H 1 4.230 0.03 . 1 . . . . . . . . 5194 1 1503 . 1 1 112 112 ASN CB C 13 36.900 0.3 . 1 . . . . . . . . 5194 1 1504 . 1 1 112 112 ASN HB3 H 1 2.470 0.03 . 2 . . . . . . . . 5194 1 1505 . 1 1 112 112 ASN HB2 H 1 2.850 0.03 . 2 . . . . . . . . 5194 1 1506 . 1 1 112 112 ASN ND2 N 15 110.280 0.2 . 1 . . . . . . . . 5194 1 1507 . 1 1 112 112 ASN HD21 H 1 7.290 0.03 . 2 . . . . . . . . 5194 1 1508 . 1 1 112 112 ASN HD22 H 1 6.330 0.03 . 2 . . . . . . . . 5194 1 1509 . 1 1 113 113 SER CA C 13 58.600 0.3 . 1 . . . . . . . . 5194 1 1510 . 1 1 113 113 SER HA H 1 4.130 0.03 . 1 . . . . . . . . 5194 1 1511 . 1 1 113 113 SER CB C 13 64.860 0.3 . 1 . . . . . . . . 5194 1 1512 . 1 1 113 113 SER HB3 H 1 3.080 0.03 . 2 . . . . . . . . 5194 1 1513 . 1 1 113 113 SER HB2 H 1 3.640 0.03 . 2 . . . . . . . . 5194 1 1514 . 1 1 113 113 SER C C 13 172.634 0.1 . 1 . . . . . . . . 5194 1 1515 . 1 1 114 114 THR N N 15 106.570 0.2 . 1 . . . . . . . . 5194 1 1516 . 1 1 114 114 THR H H 1 7.780 0.03 . 1 . . . . . . . . 5194 1 1517 . 1 1 114 114 THR CA C 13 60.032 0.3 . 1 . . . . . . . . 5194 1 1518 . 1 1 114 114 THR HA H 1 4.810 0.03 . 1 . . . . . . . . 5194 1 1519 . 1 1 114 114 THR CB C 13 72.685 0.3 . 1 . . . . . . . . 5194 1 1520 . 1 1 114 114 THR HB H 1 4.280 0.03 . 1 . . . . . . . . 5194 1 1521 . 1 1 114 114 THR CG2 C 13 21.513 0.3 . 1 . . . . . . . . 5194 1 1522 . 1 1 114 114 THR HG21 H 1 1.130 0.03 . 1 . . . . . . . . 5194 1 1523 . 1 1 114 114 THR HG22 H 1 1.130 0.03 . 1 . . . . . . . . 5194 1 1524 . 1 1 114 114 THR HG23 H 1 1.130 0.03 . 1 . . . . . . . . 5194 1 1525 . 1 1 114 114 THR C C 13 176.021 0.1 . 1 . . . . . . . . 5194 1 1526 . 1 1 115 115 GLY N N 15 108.575 0.2 . 1 . . . . . . . . 5194 1 1527 . 1 1 115 115 GLY H H 1 8.861 0.03 . 1 . . . . . . . . 5194 1 1528 . 1 1 115 115 GLY CA C 13 47.078 0.3 . 1 . . . . . . . . 5194 1 1529 . 1 1 115 115 GLY HA3 H 1 3.862 0.03 . 2 . . . . . . . . 5194 1 1530 . 1 1 115 115 GLY HA2 H 1 4.070 0.03 . 2 . . . . . . . . 5194 1 1531 . 1 1 115 115 GLY C C 13 175.953 0.1 . 1 . . . . . . . . 5194 1 1532 . 1 1 116 116 ALA N N 15 129.579 0.2 . 1 . . . . . . . . 5194 1 1533 . 1 1 116 116 ALA H H 1 9.343 0.03 . 1 . . . . . . . . 5194 1 1534 . 1 1 116 116 ALA CA C 13 54.240 0.3 . 1 . . . . . . . . 5194 1 1535 . 1 1 116 116 ALA HA H 1 4.182 0.03 . 1 . . . . . . . . 5194 1 1536 . 1 1 116 116 ALA CB C 13 18.156 0.3 . 1 . . . . . . . . 5194 1 1537 . 1 1 116 116 ALA HB1 H 1 1.556 0.03 . 1 . . . . . . . . 5194 1 1538 . 1 1 116 116 ALA HB2 H 1 1.556 0.03 . 1 . . . . . . . . 5194 1 1539 . 1 1 116 116 ALA HB3 H 1 1.556 0.03 . 1 . . . . . . . . 5194 1 1540 . 1 1 116 116 ALA C C 13 179.734 0.1 . 1 . . . . . . . . 5194 1 1541 . 1 1 117 117 GLU N N 15 121.733 0.2 . 1 . . . . . . . . 5194 1 1542 . 1 1 117 117 GLU H H 1 8.222 0.03 . 1 . . . . . . . . 5194 1 1543 . 1 1 117 117 GLU CA C 13 62.452 0.3 . 1 . . . . . . . . 5194 1 1544 . 1 1 117 117 GLU HA H 1 4.184 0.03 . 1 . . . . . . . . 5194 1 1545 . 1 1 117 117 GLU CB C 13 29.777 0.3 . 1 . . . . . . . . 5194 1 1546 . 1 1 117 117 GLU HB3 H 1 2.460 0.03 . 2 . . . . . . . . 5194 1 1547 . 1 1 117 117 GLU HB2 H 1 2.910 0.03 . 2 . . . . . . . . 5194 1 1548 . 1 1 117 117 GLU CG C 13 40.579 0.3 . 1 . . . . . . . . 5194 1 1549 . 1 1 117 117 GLU HG3 H 1 1.690 0.03 . 1 . . . . . . . . 5194 1 1550 . 1 1 117 117 GLU HG2 H 1 1.690 0.03 . 1 . . . . . . . . 5194 1 1551 . 1 1 117 117 GLU C C 13 176.054 0.1 . 1 . . . . . . . . 5194 1 1552 . 1 1 118 118 LEU N N 15 122.885 0.2 . 1 . . . . . . . . 5194 1 1553 . 1 1 118 118 LEU H H 1 6.640 0.03 . 1 . . . . . . . . 5194 1 1554 . 1 1 118 118 LEU CA C 13 56.810 0.3 . 1 . . . . . . . . 5194 1 1555 . 1 1 118 118 LEU HA H 1 4.253 0.03 . 1 . . . . . . . . 5194 1 1556 . 1 1 118 118 LEU CB C 13 40.250 0.3 . 1 . . . . . . . . 5194 1 1557 . 1 1 118 118 LEU HB3 H 1 1.270 0.03 . 2 . . . . . . . . 5194 1 1558 . 1 1 118 118 LEU HB2 H 1 1.600 0.03 . 2 . . . . . . . . 5194 1 1559 . 1 1 118 118 LEU CG C 13 27.000 0.3 . 1 . . . . . . . . 5194 1 1560 . 1 1 118 118 LEU HG H 1 1.540 0.03 . 1 . . . . . . . . 5194 1 1561 . 1 1 118 118 LEU CD1 C 13 21.800 0.3 . 1 . . . . . . . . 5194 1 1562 . 1 1 118 118 LEU HD11 H 1 0.960 0.03 . 1 . . . . . . . . 5194 1 1563 . 1 1 118 118 LEU HD12 H 1 0.960 0.03 . 1 . . . . . . . . 5194 1 1564 . 1 1 118 118 LEU HD13 H 1 0.960 0.03 . 1 . . . . . . . . 5194 1 1565 . 1 1 118 118 LEU CD2 C 13 25.300 0.3 . 1 . . . . . . . . 5194 1 1566 . 1 1 118 118 LEU HD21 H 1 0.990 0.03 . 1 . . . . . . . . 5194 1 1567 . 1 1 118 118 LEU HD22 H 1 0.990 0.03 . 1 . . . . . . . . 5194 1 1568 . 1 1 118 118 LEU HD23 H 1 0.990 0.03 . 1 . . . . . . . . 5194 1 1569 . 1 1 118 118 LEU C C 13 179.642 0.1 . 1 . . . . . . . . 5194 1 1570 . 1 1 119 119 ARG N N 15 120.062 0.2 . 1 . . . . . . . . 5194 1 1571 . 1 1 119 119 ARG H H 1 8.191 0.03 . 1 . . . . . . . . 5194 1 1572 . 1 1 119 119 ARG CA C 13 59.190 0.3 . 1 . . . . . . . . 5194 1 1573 . 1 1 119 119 ARG HA H 1 4.040 0.03 . 1 . . . . . . . . 5194 1 1574 . 1 1 119 119 ARG CB C 13 30.002 0.3 . 1 . . . . . . . . 5194 1 1575 . 1 1 119 119 ARG HB3 H 1 1.910 0.03 . 2 . . . . . . . . 5194 1 1576 . 1 1 119 119 ARG HB2 H 1 1.970 0.03 . 2 . . . . . . . . 5194 1 1577 . 1 1 119 119 ARG CG C 13 26.993 0.3 . 1 . . . . . . . . 5194 1 1578 . 1 1 119 119 ARG HG3 H 1 1.700 0.03 . 1 . . . . . . . . 5194 1 1579 . 1 1 119 119 ARG HG2 H 1 1.700 0.03 . 1 . . . . . . . . 5194 1 1580 . 1 1 119 119 ARG CD C 13 43.351 0.3 . 1 . . . . . . . . 5194 1 1581 . 1 1 119 119 ARG HD3 H 1 3.250 0.03 . 1 . . . . . . . . 5194 1 1582 . 1 1 119 119 ARG HD2 H 1 3.250 0.03 . 1 . . . . . . . . 5194 1 1583 . 1 1 119 119 ARG NE N 15 112.500 0.2 . 1 . . . . . . . . 5194 1 1584 . 1 1 119 119 ARG HE H 1 7.400 0.03 . 1 . . . . . . . . 5194 1 1585 . 1 1 119 119 ARG C C 13 177.294 0.1 . 1 . . . . . . . . 5194 1 1586 . 1 1 120 120 HIS N N 15 118.280 0.2 . 1 . . . . . . . . 5194 1 1587 . 1 1 120 120 HIS H H 1 7.597 0.03 . 1 . . . . . . . . 5194 1 1588 . 1 1 120 120 HIS CA C 13 57.354 0.3 . 1 . . . . . . . . 5194 1 1589 . 1 1 120 120 HIS HA H 1 4.640 0.03 . 1 . . . . . . . . 5194 1 1590 . 1 1 120 120 HIS CB C 13 32.875 0.3 . 1 . . . . . . . . 5194 1 1591 . 1 1 120 120 HIS HB3 H 1 3.380 0.03 . 1 . . . . . . . . 5194 1 1592 . 1 1 120 120 HIS HB2 H 1 3.380 0.03 . 1 . . . . . . . . 5194 1 1593 . 1 1 120 120 HIS CD2 C 13 117.000 0.3 . 1 . . . . . . . . 5194 1 1594 . 1 1 120 120 HIS HD2 H 1 7.210 0.03 . 1 . . . . . . . . 5194 1 1595 . 1 1 120 120 HIS NE2 N 15 164.100 0.2 . 1 . . . . . . . . 5194 1 1596 . 1 1 120 120 HIS HE2 H 1 11.800 0.03 . 1 . . . . . . . . 5194 1 1597 . 1 1 120 120 HIS CE1 C 13 138.600 0.3 . 1 . . . . . . . . 5194 1 1598 . 1 1 120 120 HIS HE1 H 1 7.900 0.03 . 1 . . . . . . . . 5194 1 1599 . 1 1 120 120 HIS C C 13 177.255 0.1 . 1 . . . . . . . . 5194 1 1600 . 1 1 121 121 TRP N N 15 118.741 0.2 . 1 . . . . . . . . 5194 1 1601 . 1 1 121 121 TRP H H 1 7.702 0.03 . 1 . . . . . . . . 5194 1 1602 . 1 1 121 121 TRP CA C 13 60.159 0.3 . 1 . . . . . . . . 5194 1 1603 . 1 1 121 121 TRP HA H 1 4.120 0.03 . 1 . . . . . . . . 5194 1 1604 . 1 1 121 121 TRP CB C 13 30.776 0.3 . 1 . . . . . . . . 5194 1 1605 . 1 1 121 121 TRP HB3 H 1 3.530 0.03 . 2 . . . . . . . . 5194 1 1606 . 1 1 121 121 TRP HB2 H 1 3.130 0.03 . 2 . . . . . . . . 5194 1 1607 . 1 1 121 121 TRP CD1 C 13 126.700 0.3 . 4 . . . . . . . . 5194 1 1608 . 1 1 121 121 TRP HD1 H 1 7.090 0.03 . 1 . . . . . . . . 5194 1 1609 . 1 1 121 121 TRP NE1 N 15 128.300 0.2 . 1 . . . . . . . . 5194 1 1610 . 1 1 121 121 TRP HE1 H 1 9.640 0.03 . 4 . . . . . . . . 5194 1 1611 . 1 1 121 121 TRP CZ2 C 13 116.000 0.3 . 4 . . . . . . . . 5194 1 1612 . 1 1 121 121 TRP HZ2 H 1 7.720 0.03 . 4 . . . . . . . . 5194 1 1613 . 1 1 121 121 TRP CH2 C 13 123.700 0.3 . 1 . . . . . . . . 5194 1 1614 . 1 1 121 121 TRP HH2 H 1 6.630 0.03 . 1 . . . . . . . . 5194 1 1615 . 1 1 121 121 TRP CZ3 C 13 120.300 0.3 . 4 . . . . . . . . 5194 1 1616 . 1 1 121 121 TRP HZ3 H 1 6.560 0.03 . 4 . . . . . . . . 5194 1 1617 . 1 1 121 121 TRP CE3 C 13 120.100 0.3 . 4 . . . . . . . . 5194 1 1618 . 1 1 121 121 TRP HE3 H 1 7.070 0.03 . 4 . . . . . . . . 5194 1 1619 . 1 1 121 121 TRP C C 13 176.941 0.1 . 1 . . . . . . . . 5194 1 1620 . 1 1 122 122 SER N N 15 113.200 0.2 . 1 . . . . . . . . 5194 1 1621 . 1 1 122 122 SER H H 1 9.106 0.03 . 1 . . . . . . . . 5194 1 1622 . 1 1 122 122 SER CA C 13 61.900 0.3 . 1 . . . . . . . . 5194 1 1623 . 1 1 122 122 SER HA H 1 4.110 0.03 . 1 . . . . . . . . 5194 1 1624 . 1 1 122 122 SER CB C 13 62.700 0.3 . 1 . . . . . . . . 5194 1 1625 . 1 1 122 122 SER HB3 H 1 4.000 0.03 . 2 . . . . . . . . 5194 1 1626 . 1 1 122 122 SER HB2 H 1 4.110 0.03 . 2 . . . . . . . . 5194 1 1627 . 1 1 122 122 SER C C 13 177.500 0.1 . 1 . . . . . . . . 5194 1 1628 . 1 1 123 123 ASP N N 15 124.070 0.2 . 1 . . . . . . . . 5194 1 1629 . 1 1 123 123 ASP H H 1 8.920 0.03 . 1 . . . . . . . . 5194 1 1630 . 1 1 123 123 ASP CA C 13 57.575 0.3 . 1 . . . . . . . . 5194 1 1631 . 1 1 123 123 ASP HA H 1 4.460 0.03 . 1 . . . . . . . . 5194 1 1632 . 1 1 123 123 ASP CB C 13 40.047 0.3 . 1 . . . . . . . . 5194 1 1633 . 1 1 123 123 ASP HB3 H 1 2.580 0.03 . 2 . . . . . . . . 5194 1 1634 . 1 1 123 123 ASP HB2 H 1 3.090 0.03 . 2 . . . . . . . . 5194 1 1635 . 1 1 123 123 ASP C C 13 178.900 0.1 . 1 . . . . . . . . 5194 1 1636 . 1 1 124 124 MET N N 15 121.975 0.2 . 1 . . . . . . . . 5194 1 1637 . 1 1 124 124 MET H H 1 8.012 0.03 . 1 . . . . . . . . 5194 1 1638 . 1 1 124 124 MET CA C 13 59.200 0.3 . 1 . . . . . . . . 5194 1 1639 . 1 1 124 124 MET HA H 1 4.000 0.03 . 1 . . . . . . . . 5194 1 1640 . 1 1 124 124 MET CB C 13 32.210 0.3 . 1 . . . . . . . . 5194 1 1641 . 1 1 124 124 MET HB3 H 1 1.760 0.03 . 2 . . . . . . . . 5194 1 1642 . 1 1 124 124 MET HB2 H 1 2.300 0.03 . 2 . . . . . . . . 5194 1 1643 . 1 1 124 124 MET CG C 13 31.190 0.3 . 1 . . . . . . . . 5194 1 1644 . 1 1 124 124 MET HG3 H 1 1.700 0.03 . 2 . . . . . . . . 5194 1 1645 . 1 1 124 124 MET HG2 H 1 2.280 0.03 . 2 . . . . . . . . 5194 1 1646 . 1 1 124 124 MET CE C 13 17.200 0.3 . 1 . . . . . . . . 5194 1 1647 . 1 1 124 124 MET HE1 H 1 1.880 0.03 . 1 . . . . . . . . 5194 1 1648 . 1 1 124 124 MET HE2 H 1 1.880 0.03 . 1 . . . . . . . . 5194 1 1649 . 1 1 124 124 MET HE3 H 1 1.880 0.03 . 1 . . . . . . . . 5194 1 1650 . 1 1 124 124 MET C C 13 178.930 0.1 . 1 . . . . . . . . 5194 1 1651 . 1 1 125 125 LEU N N 15 118.563 0.2 . 1 . . . . . . . . 5194 1 1652 . 1 1 125 125 LEU H H 1 7.651 0.03 . 1 . . . . . . . . 5194 1 1653 . 1 1 125 125 LEU CA C 13 56.805 0.3 . 1 . . . . . . . . 5194 1 1654 . 1 1 125 125 LEU HA H 1 3.970 0.03 . 1 . . . . . . . . 5194 1 1655 . 1 1 125 125 LEU CB C 13 41.568 0.3 . 1 . . . . . . . . 5194 1 1656 . 1 1 125 125 LEU HB3 H 1 1.390 0.03 . 2 . . . . . . . . 5194 1 1657 . 1 1 125 125 LEU HB2 H 1 1.760 0.03 . 2 . . . . . . . . 5194 1 1658 . 1 1 125 125 LEU CG C 13 25.920 0.3 . 1 . . . . . . . . 5194 1 1659 . 1 1 125 125 LEU HG H 1 1.120 0.03 . 1 . . . . . . . . 5194 1 1660 . 1 1 125 125 LEU CD1 C 13 25.700 0.3 . 1 . . . . . . . . 5194 1 1661 . 1 1 125 125 LEU HD11 H 1 0.670 0.03 . 1 . . . . . . . . 5194 1 1662 . 1 1 125 125 LEU HD12 H 1 0.670 0.03 . 1 . . . . . . . . 5194 1 1663 . 1 1 125 125 LEU HD13 H 1 0.670 0.03 . 1 . . . . . . . . 5194 1 1664 . 1 1 125 125 LEU CD2 C 13 22.900 0.3 . 1 . . . . . . . . 5194 1 1665 . 1 1 125 125 LEU HD21 H 1 0.470 0.03 . 1 . . . . . . . . 5194 1 1666 . 1 1 125 125 LEU HD22 H 1 0.470 0.03 . 1 . . . . . . . . 5194 1 1667 . 1 1 125 125 LEU HD23 H 1 0.470 0.03 . 1 . . . . . . . . 5194 1 1668 . 1 1 125 125 LEU C C 13 178.248 0.1 . 1 . . . . . . . . 5194 1 1669 . 1 1 126 126 ALA N N 15 118.723 0.2 . 1 . . . . . . . . 5194 1 1670 . 1 1 126 126 ALA H H 1 7.916 0.03 . 1 . . . . . . . . 5194 1 1671 . 1 1 126 126 ALA CA C 13 52.723 0.3 . 1 . . . . . . . . 5194 1 1672 . 1 1 126 126 ALA HA H 1 4.320 0.03 . 1 . . . . . . . . 5194 1 1673 . 1 1 126 126 ALA CB C 13 19.412 0.3 . 1 . . . . . . . . 5194 1 1674 . 1 1 126 126 ALA HB1 H 1 1.530 0.03 . 1 . . . . . . . . 5194 1 1675 . 1 1 126 126 ALA HB2 H 1 1.530 0.03 . 1 . . . . . . . . 5194 1 1676 . 1 1 126 126 ALA HB3 H 1 1.530 0.03 . 1 . . . . . . . . 5194 1 1677 . 1 1 126 126 ALA C C 13 176.821 0.1 . 1 . . . . . . . . 5194 1 1678 . 1 1 127 127 ASN N N 15 116.007 0.2 . 1 . . . . . . . . 5194 1 1679 . 1 1 127 127 ASN H H 1 7.228 0.03 . 1 . . . . . . . . 5194 1 1680 . 1 1 127 127 ASN CA C 13 50.960 0.3 . 1 . . . . . . . . 5194 1 1681 . 1 1 127 127 ASN HA H 1 5.220 0.03 . 1 . . . . . . . . 5194 1 1682 . 1 1 127 127 ASN CB C 13 40.700 0.3 . 1 . . . . . . . . 5194 1 1683 . 1 1 127 127 ASN HB3 H 1 2.570 0.03 . 2 . . . . . . . . 5194 1 1684 . 1 1 127 127 ASN HB2 H 1 2.790 0.03 . 2 . . . . . . . . 5194 1 1685 . 1 1 127 127 ASN ND2 N 15 116.600 0.2 . 1 . . . . . . . . 5194 1 1686 . 1 1 127 127 ASN HD21 H 1 8.260 0.03 . 2 . . . . . . . . 5194 1 1687 . 1 1 127 127 ASN HD22 H 1 7.190 0.03 . 2 . . . . . . . . 5194 1 1688 . 1 1 127 127 ASN C C 13 170.700 0.1 . 1 . . . . . . . . 5194 1 1689 . 1 1 128 128 PRO CA C 13 63.901 0.3 . 1 . . . . . . . . 5194 1 1690 . 1 1 128 128 PRO HA H 1 4.730 0.03 . 1 . . . . . . . . 5194 1 1691 . 1 1 128 128 PRO CB C 13 32.238 0.3 . 1 . . . . . . . . 5194 1 1692 . 1 1 128 128 PRO HB3 H 1 2.010 0.03 . 2 . . . . . . . . 5194 1 1693 . 1 1 128 128 PRO HB2 H 1 2.340 0.03 . 2 . . . . . . . . 5194 1 1694 . 1 1 128 128 PRO CG C 13 27.568 0.3 . 1 . . . . . . . . 5194 1 1695 . 1 1 128 128 PRO HG3 H 1 2.050 0.03 . 2 . . . . . . . . 5194 1 1696 . 1 1 128 128 PRO HG2 H 1 2.120 0.03 . 2 . . . . . . . . 5194 1 1697 . 1 1 128 128 PRO CD C 13 50.390 0.3 . 1 . . . . . . . . 5194 1 1698 . 1 1 128 128 PRO HD3 H 1 3.490 0.03 . 2 . . . . . . . . 5194 1 1699 . 1 1 128 128 PRO HD2 H 1 3.680 0.03 . 2 . . . . . . . . 5194 1 1700 . 1 1 128 128 PRO C C 13 177.416 0.1 . 1 . . . . . . . . 5194 1 1701 . 1 1 129 129 ARG N N 15 111.807 0.2 . 1 . . . . . . . . 5194 1 1702 . 1 1 129 129 ARG H H 1 8.381 0.03 . 1 . . . . . . . . 5194 1 1703 . 1 1 129 129 ARG CA C 13 58.720 0.3 . 1 . . . . . . . . 5194 1 1704 . 1 1 129 129 ARG HA H 1 3.570 0.03 . 1 . . . . . . . . 5194 1 1705 . 1 1 129 129 ARG CB C 13 28.919 0.3 . 1 . . . . . . . . 5194 1 1706 . 1 1 129 129 ARG HB3 H 1 2.350 0.03 . 2 . . . . . . . . 5194 1 1707 . 1 1 129 129 ARG HB2 H 1 2.070 0.03 . 2 . . . . . . . . 5194 1 1708 . 1 1 129 129 ARG CG C 13 28.500 0.3 . 1 . . . . . . . . 5194 1 1709 . 1 1 129 129 ARG HG3 H 1 1.630 0.03 . 1 . . . . . . . . 5194 1 1710 . 1 1 129 129 ARG HG2 H 1 1.630 0.03 . 1 . . . . . . . . 5194 1 1711 . 1 1 129 129 ARG CD C 13 43.250 0.3 . 1 . . . . . . . . 5194 1 1712 . 1 1 129 129 ARG HD3 H 1 3.240 0.03 . 2 . . . . . . . . 5194 1 1713 . 1 1 129 129 ARG HD2 H 1 3.350 0.03 . 2 . . . . . . . . 5194 1 1714 . 1 1 129 129 ARG C C 13 174.910 0.1 . 1 . . . . . . . . 5194 1 1715 . 1 1 130 130 ARG N N 15 121.099 0.2 . 1 . . . . . . . . 5194 1 1716 . 1 1 130 130 ARG H H 1 8.060 0.03 . 1 . . . . . . . . 5194 1 1717 . 1 1 130 130 ARG CA C 13 52.920 0.3 . 1 . . . . . . . . 5194 1 1718 . 1 1 130 130 ARG HA H 1 4.920 0.03 . 1 . . . . . . . . 5194 1 1719 . 1 1 130 130 ARG CB C 13 31.700 0.3 . 1 . . . . . . . . 5194 1 1720 . 1 1 130 130 ARG HB3 H 1 1.790 0.03 . 2 . . . . . . . . 5194 1 1721 . 1 1 130 130 ARG HB2 H 1 1.880 0.03 . 2 . . . . . . . . 5194 1 1722 . 1 1 130 130 ARG CG C 13 26.400 0.3 . 1 . . . . . . . . 5194 1 1723 . 1 1 130 130 ARG HG3 H 1 1.560 0.03 . 2 . . . . . . . . 5194 1 1724 . 1 1 130 130 ARG HG2 H 1 1.632 0.03 . 2 . . . . . . . . 5194 1 1725 . 1 1 130 130 ARG CD C 13 43.400 0.3 . 1 . . . . . . . . 5194 1 1726 . 1 1 130 130 ARG HD3 H 1 3.140 0.03 . 1 . . . . . . . . 5194 1 1727 . 1 1 130 130 ARG HD2 H 1 3.140 0.03 . 1 . . . . . . . . 5194 1 1728 . 1 1 130 130 ARG C C 13 173.100 0.1 . 1 . . . . . . . . 5194 1 1729 . 1 1 131 131 PRO CA C 13 61.469 0.3 . 1 . . . . . . . . 5194 1 1730 . 1 1 131 131 PRO HA H 1 4.887 0.03 . 1 . . . . . . . . 5194 1 1731 . 1 1 131 131 PRO CB C 13 31.152 0.3 . 1 . . . . . . . . 5194 1 1732 . 1 1 131 131 PRO HB3 H 1 2.020 0.03 . 2 . . . . . . . . 5194 1 1733 . 1 1 131 131 PRO HB2 H 1 1.840 0.03 . 2 . . . . . . . . 5194 1 1734 . 1 1 131 131 PRO CG C 13 27.287 0.3 . 1 . . . . . . . . 5194 1 1735 . 1 1 131 131 PRO HG3 H 1 2.050 0.03 . 2 . . . . . . . . 5194 1 1736 . 1 1 131 131 PRO HG2 H 1 2.290 0.03 . 2 . . . . . . . . 5194 1 1737 . 1 1 131 131 PRO CD C 13 50.048 0.3 . 1 . . . . . . . . 5194 1 1738 . 1 1 131 131 PRO HD3 H 1 3.790 0.03 . 1 . . . . . . . . 5194 1 1739 . 1 1 131 131 PRO HD2 H 1 3.790 0.03 . 1 . . . . . . . . 5194 1 1740 . 1 1 131 131 PRO C C 13 176.646 0.1 . 1 . . . . . . . . 5194 1 1741 . 1 1 132 132 ILE N N 15 123.988 0.2 . 1 . . . . . . . . 5194 1 1742 . 1 1 132 132 ILE H H 1 9.064 0.03 . 1 . . . . . . . . 5194 1 1743 . 1 1 132 132 ILE CA C 13 58.279 0.3 . 1 . . . . . . . . 5194 1 1744 . 1 1 132 132 ILE HA H 1 4.560 0.03 . 1 . . . . . . . . 5194 1 1745 . 1 1 132 132 ILE CB C 13 39.130 0.3 . 1 . . . . . . . . 5194 1 1746 . 1 1 132 132 ILE HB H 1 2.140 0.03 . 1 . . . . . . . . 5194 1 1747 . 1 1 132 132 ILE CG1 C 13 26.000 0.3 . 1 . . . . . . . . 5194 1 1748 . 1 1 132 132 ILE HG13 H 1 1.330 0.03 . 1 . . . . . . . . 5194 1 1749 . 1 1 132 132 ILE HG12 H 1 1.770 0.03 . 1 . . . . . . . . 5194 1 1750 . 1 1 132 132 ILE CD1 C 13 11.040 0.3 . 1 . . . . . . . . 5194 1 1751 . 1 1 132 132 ILE HD11 H 1 0.780 0.03 . 1 . . . . . . . . 5194 1 1752 . 1 1 132 132 ILE HD12 H 1 0.780 0.03 . 1 . . . . . . . . 5194 1 1753 . 1 1 132 132 ILE HD13 H 1 0.780 0.03 . 1 . . . . . . . . 5194 1 1754 . 1 1 132 132 ILE CG2 C 13 18.000 0.3 . 1 . . . . . . . . 5194 1 1755 . 1 1 132 132 ILE HG21 H 1 1.040 0.03 . 1 . . . . . . . . 5194 1 1756 . 1 1 132 132 ILE HG22 H 1 1.040 0.03 . 1 . . . . . . . . 5194 1 1757 . 1 1 132 132 ILE HG23 H 1 1.040 0.03 . 1 . . . . . . . . 5194 1 1758 . 1 1 132 132 ILE C C 13 176.507 0.1 . 1 . . . . . . . . 5194 1 1759 . 1 1 133 133 ALA N N 15 137.945 0.2 . 1 . . . . . . . . 5194 1 1760 . 1 1 133 133 ALA H H 1 9.590 0.03 . 1 . . . . . . . . 5194 1 1761 . 1 1 133 133 ALA CA C 13 50.900 0.3 . 1 . . . . . . . . 5194 1 1762 . 1 1 133 133 ALA HA H 1 5.054 0.03 . 1 . . . . . . . . 5194 1 1763 . 1 1 133 133 ALA CB C 13 20.292 0.3 . 1 . . . . . . . . 5194 1 1764 . 1 1 133 133 ALA HB1 H 1 1.109 0.03 . 1 . . . . . . . . 5194 1 1765 . 1 1 133 133 ALA HB2 H 1 1.109 0.03 . 1 . . . . . . . . 5194 1 1766 . 1 1 133 133 ALA HB3 H 1 1.109 0.03 . 1 . . . . . . . . 5194 1 1767 . 1 1 133 133 ALA C C 13 175.282 0.1 . 1 . . . . . . . . 5194 1 1768 . 1 1 134 134 GLN N N 15 119.758 0.2 . 1 . . . . . . . . 5194 1 1769 . 1 1 134 134 GLN H H 1 7.661 0.03 . 1 . . . . . . . . 5194 1 1770 . 1 1 134 134 GLN CA C 13 54.954 0.3 . 1 . . . . . . . . 5194 1 1771 . 1 1 134 134 GLN HA H 1 4.122 0.03 . 1 . . . . . . . . 5194 1 1772 . 1 1 134 134 GLN CB C 13 32.602 0.3 . 1 . . . . . . . . 5194 1 1773 . 1 1 134 134 GLN HB3 H 1 0.720 0.03 . 2 . . . . . . . . 5194 1 1774 . 1 1 134 134 GLN HB2 H 1 0.810 0.03 . 2 . . . . . . . . 5194 1 1775 . 1 1 134 134 GLN CG C 13 34.027 0.3 . 1 . . . . . . . . 5194 1 1776 . 1 1 134 134 GLN HG3 H 1 1.875 0.03 . 2 . . . . . . . . 5194 1 1777 . 1 1 134 134 GLN HG2 H 1 2.161 0.03 . 2 . . . . . . . . 5194 1 1778 . 1 1 134 134 GLN NE2 N 15 108.800 0.2 . 1 . . . . . . . . 5194 1 1779 . 1 1 134 134 GLN HE21 H 1 6.650 0.03 . 2 . . . . . . . . 5194 1 1780 . 1 1 134 134 GLN HE22 H 1 6.500 0.03 . 2 . . . . . . . . 5194 1 1781 . 1 1 134 134 GLN C C 13 173.749 0.1 . 1 . . . . . . . . 5194 1 1782 . 1 1 135 135 TRP N N 15 123.467 0.2 . 1 . . . . . . . . 5194 1 1783 . 1 1 135 135 TRP H H 1 8.336 0.03 . 1 . . . . . . . . 5194 1 1784 . 1 1 135 135 TRP CA C 13 57.930 0.3 . 1 . . . . . . . . 5194 1 1785 . 1 1 135 135 TRP HA H 1 4.650 0.03 . 1 . . . . . . . . 5194 1 1786 . 1 1 135 135 TRP CB C 13 30.183 0.3 . 1 . . . . . . . . 5194 1 1787 . 1 1 135 135 TRP HB3 H 1 3.210 0.03 . 2 . . . . . . . . 5194 1 1788 . 1 1 135 135 TRP HB2 H 1 2.860 0.03 . 2 . . . . . . . . 5194 1 1789 . 1 1 135 135 TRP CD1 C 13 127.800 0.3 . 4 . . . . . . . . 5194 1 1790 . 1 1 135 135 TRP HD1 H 1 7.290 0.03 . 1 . . . . . . . . 5194 1 1791 . 1 1 135 135 TRP NE1 N 15 131.100 0.2 . 1 . . . . . . . . 5194 1 1792 . 1 1 135 135 TRP HE1 H 1 10.300 0.03 . 4 . . . . . . . . 5194 1 1793 . 1 1 135 135 TRP CZ2 C 13 115.200 0.3 . 4 . . . . . . . . 5194 1 1794 . 1 1 135 135 TRP HZ2 H 1 7.480 0.03 . 4 . . . . . . . . 5194 1 1795 . 1 1 135 135 TRP CH2 C 13 124.200 0.3 . 1 . . . . . . . . 5194 1 1796 . 1 1 135 135 TRP HH2 H 1 6.860 0.03 . 1 . . . . . . . . 5194 1 1797 . 1 1 135 135 TRP CZ3 C 13 120.300 0.3 . 4 . . . . . . . . 5194 1 1798 . 1 1 135 135 TRP HZ3 H 1 6.790 0.03 . 4 . . . . . . . . 5194 1 1799 . 1 1 135 135 TRP CE3 C 13 120.500 0.3 . 4 . . . . . . . . 5194 1 1800 . 1 1 135 135 TRP HE3 H 1 7.280 0.03 . 4 . . . . . . . . 5194 1 1801 . 1 1 135 135 TRP C C 13 176.298 0.1 . 1 . . . . . . . . 5194 1 1802 . 1 1 136 136 HIS N N 15 117.360 0.2 . 1 . . . . . . . . 5194 1 1803 . 1 1 136 136 HIS H H 1 9.520 0.03 . 1 . . . . . . . . 5194 1 1804 . 1 1 136 136 HIS CA C 13 55.001 0.3 . 1 . . . . . . . . 5194 1 1805 . 1 1 136 136 HIS HA H 1 4.876 0.03 . 1 . . . . . . . . 5194 1 1806 . 1 1 136 136 HIS CB C 13 33.378 0.3 . 1 . . . . . . . . 5194 1 1807 . 1 1 136 136 HIS HB3 H 1 2.823 0.03 . 2 . . . . . . . . 5194 1 1808 . 1 1 136 136 HIS HB2 H 1 3.157 0.03 . 2 . . . . . . . . 5194 1 1809 . 1 1 136 136 HIS CD2 C 13 121.700 0.3 . 1 . . . . . . . . 5194 1 1810 . 1 1 136 136 HIS HD2 H 1 6.270 0.03 . 1 . . . . . . . . 5194 1 1811 . 1 1 136 136 HIS CE1 C 13 134.100 0.3 . 1 . . . . . . . . 5194 1 1812 . 1 1 136 136 HIS HE1 H 1 8.290 0.03 . 1 . . . . . . . . 5194 1 1813 . 1 1 136 136 HIS C C 13 173.596 0.1 . 1 . . . . . . . . 5194 1 1814 . 1 1 137 137 THR N N 15 122.757 0.2 . 1 . . . . . . . . 5194 1 1815 . 1 1 137 137 THR H H 1 9.467 0.03 . 1 . . . . . . . . 5194 1 1816 . 1 1 137 137 THR CA C 13 62.500 0.3 . 1 . . . . . . . . 5194 1 1817 . 1 1 137 137 THR HA H 1 4.986 0.03 . 1 . . . . . . . . 5194 1 1818 . 1 1 137 137 THR CB C 13 70.300 0.3 . 1 . . . . . . . . 5194 1 1819 . 1 1 137 137 THR HB H 1 4.029 0.03 . 1 . . . . . . . . 5194 1 1820 . 1 1 137 137 THR CG2 C 13 22.591 0.3 . 1 . . . . . . . . 5194 1 1821 . 1 1 137 137 THR HG21 H 1 1.441 0.03 . 1 . . . . . . . . 5194 1 1822 . 1 1 137 137 THR HG22 H 1 1.441 0.03 . 1 . . . . . . . . 5194 1 1823 . 1 1 137 137 THR HG23 H 1 1.441 0.03 . 1 . . . . . . . . 5194 1 1824 . 1 1 137 137 THR C C 13 174.400 0.1 . 1 . . . . . . . . 5194 1 1825 . 1 1 138 138 LEU N N 15 124.966 0.2 . 1 . . . . . . . . 5194 1 1826 . 1 1 138 138 LEU H H 1 8.790 0.03 . 1 . . . . . . . . 5194 1 1827 . 1 1 138 138 LEU CA C 13 55.663 0.3 . 1 . . . . . . . . 5194 1 1828 . 1 1 138 138 LEU HA H 1 4.015 0.03 . 1 . . . . . . . . 5194 1 1829 . 1 1 138 138 LEU CB C 13 42.935 0.3 . 1 . . . . . . . . 5194 1 1830 . 1 1 138 138 LEU HB3 H 1 1.890 0.03 . 2 . . . . . . . . 5194 1 1831 . 1 1 138 138 LEU HB2 H 1 0.940 0.03 . 2 . . . . . . . . 5194 1 1832 . 1 1 138 138 LEU CG C 13 27.056 0.3 . 1 . . . . . . . . 5194 1 1833 . 1 1 138 138 LEU HG H 1 1.510 0.03 . 1 . . . . . . . . 5194 1 1834 . 1 1 138 138 LEU CD1 C 13 25.515 0.3 . 1 . . . . . . . . 5194 1 1835 . 1 1 138 138 LEU HD11 H 1 0.520 0.03 . 1 . . . . . . . . 5194 1 1836 . 1 1 138 138 LEU HD12 H 1 0.520 0.03 . 1 . . . . . . . . 5194 1 1837 . 1 1 138 138 LEU HD13 H 1 0.520 0.03 . 1 . . . . . . . . 5194 1 1838 . 1 1 138 138 LEU CD2 C 13 22.242 0.3 . 1 . . . . . . . . 5194 1 1839 . 1 1 138 138 LEU HD21 H 1 0.630 0.03 . 1 . . . . . . . . 5194 1 1840 . 1 1 138 138 LEU HD22 H 1 0.630 0.03 . 1 . . . . . . . . 5194 1 1841 . 1 1 138 138 LEU HD23 H 1 0.630 0.03 . 1 . . . . . . . . 5194 1 1842 . 1 1 138 138 LEU C C 13 175.476 0.1 . 1 . . . . . . . . 5194 1 1843 . 1 1 139 139 GLN N N 15 119.594 0.2 . 1 . . . . . . . . 5194 1 1844 . 1 1 139 139 GLN H H 1 8.538 0.03 . 1 . . . . . . . . 5194 1 1845 . 1 1 139 139 GLN CA C 13 53.737 0.3 . 1 . . . . . . . . 5194 1 1846 . 1 1 139 139 GLN HA H 1 4.737 0.03 . 1 . . . . . . . . 5194 1 1847 . 1 1 139 139 GLN CB C 13 31.875 0.3 . 1 . . . . . . . . 5194 1 1848 . 1 1 139 139 GLN HB3 H 1 2.010 0.03 . 2 . . . . . . . . 5194 1 1849 . 1 1 139 139 GLN HB2 H 1 2.220 0.03 . 2 . . . . . . . . 5194 1 1850 . 1 1 139 139 GLN CG C 13 33.873 0.3 . 1 . . . . . . . . 5194 1 1851 . 1 1 139 139 GLN HG3 H 1 2.470 0.03 . 1 . . . . . . . . 5194 1 1852 . 1 1 139 139 GLN HG2 H 1 2.470 0.03 . 1 . . . . . . . . 5194 1 1853 . 1 1 139 139 GLN NE2 N 15 111.300 0.2 . 1 . . . . . . . . 5194 1 1854 . 1 1 139 139 GLN HE21 H 1 7.690 0.03 . 2 . . . . . . . . 5194 1 1855 . 1 1 139 139 GLN HE22 H 1 6.700 0.03 . 2 . . . . . . . . 5194 1 1856 . 1 1 139 139 GLN C C 13 175.208 0.1 . 1 . . . . . . . . 5194 1 1857 . 1 1 140 140 VAL N N 15 120.013 0.2 . 1 . . . . . . . . 5194 1 1858 . 1 1 140 140 VAL H H 1 8.470 0.03 . 1 . . . . . . . . 5194 1 1859 . 1 1 140 140 VAL CA C 13 63.005 0.3 . 1 . . . . . . . . 5194 1 1860 . 1 1 140 140 VAL HA H 1 3.944 0.03 . 1 . . . . . . . . 5194 1 1861 . 1 1 140 140 VAL CB C 13 32.391 0.3 . 1 . . . . . . . . 5194 1 1862 . 1 1 140 140 VAL HB H 1 2.101 0.03 . 1 . . . . . . . . 5194 1 1863 . 1 1 140 140 VAL CG2 C 13 22.310 0.3 . 2 . . . . . . . . 5194 1 1864 . 1 1 140 140 VAL HG21 H 1 1.200 0.03 . 2 . . . . . . . . 5194 1 1865 . 1 1 140 140 VAL HG22 H 1 1.200 0.03 . 2 . . . . . . . . 5194 1 1866 . 1 1 140 140 VAL HG23 H 1 1.200 0.03 . 2 . . . . . . . . 5194 1 1867 . 1 1 140 140 VAL CG1 C 13 22.314 0.3 . 2 . . . . . . . . 5194 1 1868 . 1 1 140 140 VAL HG11 H 1 1.194 0.03 . 2 . . . . . . . . 5194 1 1869 . 1 1 140 140 VAL HG12 H 1 1.194 0.03 . 2 . . . . . . . . 5194 1 1870 . 1 1 140 140 VAL HG13 H 1 1.194 0.03 . 2 . . . . . . . . 5194 1 1871 . 1 1 140 140 VAL C C 13 178.099 0.1 . 1 . . . . . . . . 5194 1 1872 . 1 1 141 141 GLU N N 15 127.132 0.2 . 1 . . . . . . . . 5194 1 1873 . 1 1 141 141 GLU H H 1 8.974 0.03 . 1 . . . . . . . . 5194 1 1874 . 1 1 141 141 GLU CA C 13 60.601 0.3 . 1 . . . . . . . . 5194 1 1875 . 1 1 141 141 GLU HA H 1 3.600 0.03 . 1 . . . . . . . . 5194 1 1876 . 1 1 141 141 GLU CB C 13 29.994 0.3 . 1 . . . . . . . . 5194 1 1877 . 1 1 141 141 GLU HB3 H 1 1.830 0.03 . 2 . . . . . . . . 5194 1 1878 . 1 1 141 141 GLU HB2 H 1 2.020 0.03 . 2 . . . . . . . . 5194 1 1879 . 1 1 141 141 GLU CG C 13 36.068 0.3 . 1 . . . . . . . . 5194 1 1880 . 1 1 141 141 GLU HG3 H 1 2.030 0.03 . 1 . . . . . . . . 5194 1 1881 . 1 1 141 141 GLU HG2 H 1 2.030 0.03 . 1 . . . . . . . . 5194 1 1882 . 1 1 141 141 GLU C C 13 176.883 0.1 . 1 . . . . . . . . 5194 1 1883 . 1 1 142 142 GLU N N 15 116.036 0.2 . 1 . . . . . . . . 5194 1 1884 . 1 1 142 142 GLU H H 1 9.113 0.03 . 1 . . . . . . . . 5194 1 1885 . 1 1 142 142 GLU CA C 13 59.886 0.3 . 1 . . . . . . . . 5194 1 1886 . 1 1 142 142 GLU HA H 1 4.060 0.03 . 1 . . . . . . . . 5194 1 1887 . 1 1 142 142 GLU CB C 13 29.041 0.3 . 1 . . . . . . . . 5194 1 1888 . 1 1 142 142 GLU HB3 H 1 2.000 0.03 . 1 . . . . . . . . 5194 1 1889 . 1 1 142 142 GLU HB2 H 1 2.000 0.03 . 1 . . . . . . . . 5194 1 1890 . 1 1 142 142 GLU CG C 13 36.520 0.3 . 1 . . . . . . . . 5194 1 1891 . 1 1 142 142 GLU HG3 H 1 2.330 0.03 . 2 . . . . . . . . 5194 1 1892 . 1 1 142 142 GLU HG2 H 1 2.360 0.03 . 2 . . . . . . . . 5194 1 1893 . 1 1 142 142 GLU C C 13 179.109 0.1 . 1 . . . . . . . . 5194 1 1894 . 1 1 143 143 GLU N N 15 118.600 0.2 . 1 . . . . . . . . 5194 1 1895 . 1 1 143 143 GLU H H 1 7.171 0.03 . 1 . . . . . . . . 5194 1 1896 . 1 1 143 143 GLU CA C 13 58.449 0.3 . 1 . . . . . . . . 5194 1 1897 . 1 1 143 143 GLU HA H 1 4.144 0.03 . 1 . . . . . . . . 5194 1 1898 . 1 1 143 143 GLU CB C 13 29.431 0.3 . 1 . . . . . . . . 5194 1 1899 . 1 1 143 143 GLU HB3 H 1 2.150 0.03 . 1 . . . . . . . . 5194 1 1900 . 1 1 143 143 GLU HB2 H 1 2.150 0.03 . 1 . . . . . . . . 5194 1 1901 . 1 1 143 143 GLU CG C 13 36.429 0.3 . 1 . . . . . . . . 5194 1 1902 . 1 1 143 143 GLU HG3 H 1 2.290 0.03 . 1 . . . . . . . . 5194 1 1903 . 1 1 143 143 GLU HG2 H 1 2.290 0.03 . 1 . . . . . . . . 5194 1 1904 . 1 1 143 143 GLU C C 13 178.857 0.1 . 1 . . . . . . . . 5194 1 1905 . 1 1 144 144 VAL N N 15 121.117 0.2 . 1 . . . . . . . . 5194 1 1906 . 1 1 144 144 VAL H H 1 7.603 0.03 . 1 . . . . . . . . 5194 1 1907 . 1 1 144 144 VAL CA C 13 65.980 0.3 . 1 . . . . . . . . 5194 1 1908 . 1 1 144 144 VAL HA H 1 3.764 0.03 . 1 . . . . . . . . 5194 1 1909 . 1 1 144 144 VAL CB C 13 31.607 0.3 . 1 . . . . . . . . 5194 1 1910 . 1 1 144 144 VAL HB H 1 1.801 0.03 . 1 . . . . . . . . 5194 1 1911 . 1 1 144 144 VAL CG2 C 13 23.600 0.3 . 1 . . . . . . . . 5194 1 1912 . 1 1 144 144 VAL HG21 H 1 1.000 0.03 . 1 . . . . . . . . 5194 1 1913 . 1 1 144 144 VAL HG22 H 1 1.000 0.03 . 1 . . . . . . . . 5194 1 1914 . 1 1 144 144 VAL HG23 H 1 1.000 0.03 . 1 . . . . . . . . 5194 1 1915 . 1 1 144 144 VAL CG1 C 13 22.000 0.3 . 1 . . . . . . . . 5194 1 1916 . 1 1 144 144 VAL HG11 H 1 0.910 0.03 . 1 . . . . . . . . 5194 1 1917 . 1 1 144 144 VAL HG12 H 1 0.910 0.03 . 1 . . . . . . . . 5194 1 1918 . 1 1 144 144 VAL HG13 H 1 0.910 0.03 . 1 . . . . . . . . 5194 1 1919 . 1 1 144 144 VAL C C 13 177.983 0.1 . 1 . . . . . . . . 5194 1 1920 . 1 1 145 145 ASP N N 15 120.250 0.2 . 1 . . . . . . . . 5194 1 1921 . 1 1 145 145 ASP H H 1 8.702 0.03 . 1 . . . . . . . . 5194 1 1922 . 1 1 145 145 ASP CA C 13 57.439 0.3 . 1 . . . . . . . . 5194 1 1923 . 1 1 145 145 ASP HA H 1 4.179 0.03 . 1 . . . . . . . . 5194 1 1924 . 1 1 145 145 ASP CB C 13 38.953 0.3 . 1 . . . . . . . . 5194 1 1925 . 1 1 145 145 ASP HB2 H 1 2.459 0.03 . 2 . . . . . . . . 5194 1 1926 . 1 1 145 145 ASP C C 13 178.950 0.1 . 1 . . . . . . . . 5194 1 1927 . 1 1 146 146 ALA N N 15 121.123 0.2 . 1 . . . . . . . . 5194 1 1928 . 1 1 146 146 ALA H H 1 7.337 0.03 . 1 . . . . . . . . 5194 1 1929 . 1 1 146 146 ALA CA C 13 54.594 0.3 . 1 . . . . . . . . 5194 1 1930 . 1 1 146 146 ALA HA H 1 4.130 0.03 . 1 . . . . . . . . 5194 1 1931 . 1 1 146 146 ALA CB C 13 18.000 0.3 . 1 . . . . . . . . 5194 1 1932 . 1 1 146 146 ALA HB1 H 1 1.470 0.03 . 1 . . . . . . . . 5194 1 1933 . 1 1 146 146 ALA HB2 H 1 1.470 0.03 . 1 . . . . . . . . 5194 1 1934 . 1 1 146 146 ALA HB3 H 1 1.470 0.03 . 1 . . . . . . . . 5194 1 1935 . 1 1 146 146 ALA C C 13 179.895 0.1 . 1 . . . . . . . . 5194 1 1936 . 1 1 147 147 MET N N 15 117.129 0.2 . 1 . . . . . . . . 5194 1 1937 . 1 1 147 147 MET H H 1 7.510 0.03 . 1 . . . . . . . . 5194 1 1938 . 1 1 147 147 MET CA C 13 57.389 0.3 . 1 . . . . . . . . 5194 1 1939 . 1 1 147 147 MET HA H 1 4.260 0.03 . 1 . . . . . . . . 5194 1 1940 . 1 1 147 147 MET CB C 13 32.981 0.3 . 1 . . . . . . . . 5194 1 1941 . 1 1 147 147 MET HB3 H 1 2.400 0.03 . 2 . . . . . . . . 5194 1 1942 . 1 1 147 147 MET HB2 H 1 2.220 0.03 . 2 . . . . . . . . 5194 1 1943 . 1 1 147 147 MET CG C 13 32.200 0.3 . 1 . . . . . . . . 5194 1 1944 . 1 1 147 147 MET HG3 H 1 2.880 0.03 . 2 . . . . . . . . 5194 1 1945 . 1 1 147 147 MET HG2 H 1 2.700 0.03 . 2 . . . . . . . . 5194 1 1946 . 1 1 147 147 MET CE C 13 17.200 0.3 . 1 . . . . . . . . 5194 1 1947 . 1 1 147 147 MET HE1 H 1 2.200 0.03 . 1 . . . . . . . . 5194 1 1948 . 1 1 147 147 MET HE2 H 1 2.200 0.03 . 1 . . . . . . . . 5194 1 1949 . 1 1 147 147 MET HE3 H 1 2.200 0.03 . 1 . . . . . . . . 5194 1 1950 . 1 1 147 147 MET C C 13 177.989 0.1 . 1 . . . . . . . . 5194 1 1951 . 1 1 148 148 LEU N N 15 118.594 0.2 . 1 . . . . . . . . 5194 1 1952 . 1 1 148 148 LEU H H 1 7.600 0.03 . 1 . . . . . . . . 5194 1 1953 . 1 1 148 148 LEU CA C 13 55.539 0.3 . 1 . . . . . . . . 5194 1 1954 . 1 1 148 148 LEU HA H 1 3.660 0.03 . 1 . . . . . . . . 5194 1 1955 . 1 1 148 148 LEU CB C 13 42.605 0.3 . 1 . . . . . . . . 5194 1 1956 . 1 1 148 148 LEU HB3 H 1 1.500 0.03 . 2 . . . . . . . . 5194 1 1957 . 1 1 148 148 LEU HB2 H 1 1.110 0.03 . 2 . . . . . . . . 5194 1 1958 . 1 1 148 148 LEU CG C 13 26.214 0.3 . 1 . . . . . . . . 5194 1 1959 . 1 1 148 148 LEU HG H 1 1.090 0.03 . 1 . . . . . . . . 5194 1 1960 . 1 1 148 148 LEU CD1 C 13 25.900 0.3 . 1 . . . . . . . . 5194 1 1961 . 1 1 148 148 LEU HD11 H 1 0.430 0.03 . 1 . . . . . . . . 5194 1 1962 . 1 1 148 148 LEU HD12 H 1 0.430 0.03 . 1 . . . . . . . . 5194 1 1963 . 1 1 148 148 LEU HD13 H 1 0.430 0.03 . 1 . . . . . . . . 5194 1 1964 . 1 1 148 148 LEU CD2 C 13 21.180 0.3 . 1 . . . . . . . . 5194 1 1965 . 1 1 148 148 LEU HD21 H 1 -0.380 0.03 . 1 . . . . . . . . 5194 1 1966 . 1 1 148 148 LEU HD22 H 1 -0.380 0.03 . 1 . . . . . . . . 5194 1 1967 . 1 1 148 148 LEU HD23 H 1 -0.380 0.03 . 1 . . . . . . . . 5194 1 1968 . 1 1 148 148 LEU C C 13 176.924 0.1 . 1 . . . . . . . . 5194 1 1969 . 1 1 149 149 ALA N N 15 120.378 0.2 . 1 . . . . . . . . 5194 1 1970 . 1 1 149 149 ALA H H 1 7.150 0.03 . 1 . . . . . . . . 5194 1 1971 . 1 1 149 149 ALA CA C 13 52.226 0.3 . 1 . . . . . . . . 5194 1 1972 . 1 1 149 149 ALA HA H 1 4.130 0.03 . 1 . . . . . . . . 5194 1 1973 . 1 1 149 149 ALA CB C 13 18.733 0.3 . 1 . . . . . . . . 5194 1 1974 . 1 1 149 149 ALA HB1 H 1 1.310 0.03 . 1 . . . . . . . . 5194 1 1975 . 1 1 149 149 ALA HB2 H 1 1.310 0.03 . 1 . . . . . . . . 5194 1 1976 . 1 1 149 149 ALA HB3 H 1 1.310 0.03 . 1 . . . . . . . . 5194 1 1977 . 1 1 149 149 ALA C C 13 177.084 0.1 . 1 . . . . . . . . 5194 1 1978 . 1 1 150 150 VAL N N 15 118.851 0.2 . 1 . . . . . . . . 5194 1 1979 . 1 1 150 150 VAL H H 1 7.591 0.03 . 1 . . . . . . . . 5194 1 1980 . 1 1 150 150 VAL CA C 13 62.667 0.3 . 1 . . . . . . . . 5194 1 1981 . 1 1 150 150 VAL HA H 1 3.903 0.03 . 1 . . . . . . . . 5194 1 1982 . 1 1 150 150 VAL CB C 13 32.390 0.3 . 1 . . . . . . . . 5194 1 1983 . 1 1 150 150 VAL HB H 1 1.970 0.03 . 1 . . . . . . . . 5194 1 1984 . 1 1 150 150 VAL CG2 C 13 20.900 0.3 . 1 . . . . . . . . 5194 1 1985 . 1 1 150 150 VAL HG21 H 1 0.910 0.03 . 1 . . . . . . . . 5194 1 1986 . 1 1 150 150 VAL HG22 H 1 0.910 0.03 . 1 . . . . . . . . 5194 1 1987 . 1 1 150 150 VAL HG23 H 1 0.910 0.03 . 1 . . . . . . . . 5194 1 1988 . 1 1 150 150 VAL CG1 C 13 21.188 0.3 . 1 . . . . . . . . 5194 1 1989 . 1 1 150 150 VAL HG11 H 1 0.870 0.03 . 1 . . . . . . . . 5194 1 1990 . 1 1 150 150 VAL HG12 H 1 0.870 0.03 . 1 . . . . . . . . 5194 1 1991 . 1 1 150 150 VAL HG13 H 1 0.870 0.03 . 1 . . . . . . . . 5194 1 1992 . 1 1 150 150 VAL C C 13 175.795 0.1 . 1 . . . . . . . . 5194 1 1993 . 1 1 151 151 LYS N N 15 126.540 0.2 . 1 . . . . . . . . 5194 1 1994 . 1 1 151 151 LYS H H 1 8.306 0.03 . 1 . . . . . . . . 5194 1 1995 . 1 1 151 151 LYS CA C 13 55.877 0.3 . 1 . . . . . . . . 5194 1 1996 . 1 1 151 151 LYS HA H 1 4.352 0.03 . 1 . . . . . . . . 5194 1 1997 . 1 1 151 151 LYS CB C 13 32.997 0.3 . 1 . . . . . . . . 5194 1 1998 . 1 1 151 151 LYS HB3 H 1 1.710 0.03 . 2 . . . . . . . . 5194 1 1999 . 1 1 151 151 LYS HB2 H 1 1.820 0.03 . 2 . . . . . . . . 5194 1 2000 . 1 1 151 151 LYS CG C 13 24.630 0.3 . 1 . . . . . . . . 5194 1 2001 . 1 1 151 151 LYS HG3 H 1 1.410 0.03 . 1 . . . . . . . . 5194 1 2002 . 1 1 151 151 LYS HG2 H 1 1.410 0.03 . 1 . . . . . . . . 5194 1 2003 . 1 1 151 151 LYS CD C 13 29.042 0.3 . 1 . . . . . . . . 5194 1 2004 . 1 1 151 151 LYS HD3 H 1 1.660 0.03 . 1 . . . . . . . . 5194 1 2005 . 1 1 151 151 LYS HD2 H 1 1.660 0.03 . 1 . . . . . . . . 5194 1 2006 . 1 1 151 151 LYS CE C 13 42.248 0.3 . 1 . . . . . . . . 5194 1 2007 . 1 1 151 151 LYS HE3 H 1 2.980 0.03 . 1 . . . . . . . . 5194 1 2008 . 1 1 151 151 LYS HE2 H 1 2.980 0.03 . 1 . . . . . . . . 5194 1 2009 . 1 1 151 151 LYS C C 13 175.254 0.1 . 1 . . . . . . . . 5194 1 2010 . 1 1 152 152 LYS N N 15 128.540 0.2 . 1 . . . . . . . . 5194 1 2011 . 1 1 152 152 LYS H H 1 7.932 0.03 . 1 . . . . . . . . 5194 1 2012 . 1 1 152 152 LYS CA C 13 57.490 0.3 . 1 . . . . . . . . 5194 1 2013 . 1 1 152 152 LYS HA H 1 4.130 0.03 . 1 . . . . . . . . 5194 1 2014 . 1 1 152 152 LYS CB C 13 33.540 0.3 . 1 . . . . . . . . 5194 1 2015 . 1 1 152 152 LYS HB3 H 1 1.670 0.03 . 2 . . . . . . . . 5194 1 2016 . 1 1 152 152 LYS HB2 H 1 1.770 0.03 . 2 . . . . . . . . 5194 1 2017 . 1 1 152 152 LYS CG C 13 24.800 0.3 . 1 . . . . . . . . 5194 1 2018 . 1 1 152 152 LYS HG3 H 1 1.350 0.03 . 1 . . . . . . . . 5194 1 2019 . 1 1 152 152 LYS HG2 H 1 1.350 0.03 . 1 . . . . . . . . 5194 1 2020 . 1 1 152 152 LYS CD C 13 29.000 0.3 . 1 . . . . . . . . 5194 1 2021 . 1 1 152 152 LYS HD3 H 1 1.630 0.03 . 1 . . . . . . . . 5194 1 2022 . 1 1 152 152 LYS HD2 H 1 1.630 0.03 . 1 . . . . . . . . 5194 1 2023 . 1 1 152 152 LYS CE C 13 42.300 0.3 . 1 . . . . . . . . 5194 1 2024 . 1 1 152 152 LYS HE3 H 1 2.940 0.03 . 1 . . . . . . . . 5194 1 2025 . 1 1 152 152 LYS HE2 H 1 2.940 0.03 . 1 . . . . . . . . 5194 1 2026 . 1 1 152 152 LYS C C 13 181.590 0.1 . 1 . . . . . . . . 5194 1 stop_ save_