data_5235 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5235 _Entry.Title ; Resonance assignment and secondary structure determination of a C-terminal fragment of the Lupus Autoantigen (La) protein containing a putative RNA recognition motif (RRM) ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2001-12-17 _Entry.Accession_date 2001-12-17 _Entry.Last_release_date 2002-08-22 _Entry.Original_release_date 2002-08-22 _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 Amanda Jacks . . . 5235 2 Geoff Kelly . . . 5235 3 Stephen Curry . . . 5235 4 Maria Conte . R . 5235 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5235 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 747 5235 '13C chemical shifts' 453 5235 '15N chemical shifts' 111 5235 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 . . 2002-08-22 2001-12-17 original author . 5235 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5235 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22012555 _Citation.DOI . _Citation.PubMed_ID 12018493 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Resonance assignment and secondary structure determination of a C-terminal fragment of the Lupus Autoantigen (La) protein containing a putative RNA recognition motif (RRM) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 387 _Citation.Page_last 388 _Citation.Year 2002 _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 Amanda Jacks . . . 5235 1 2 Geoff Kelly . . . 5235 1 3 Stephen Curry . . . 5235 1 4 Maria Conte . R . 5235 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Lupus Autoantigen' 5235 1 RRM 5235 1 translation 5235 1 'RNA binding' 5235 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_La _Assembly.Sf_category assembly _Assembly.Sf_framecode system_La _Assembly.Entry_ID 5235 _Assembly.ID 1 _Assembly.Name 'Human Lupus autoantigen protein' _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 5235 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 'La C-terminal(225-334)' 1 $La . . . native . . . . . 5235 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Human Lupus autoantigen protein' system 5235 1 La abbreviation 5235 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_La _Entity.Sf_category entity _Entity.Sf_framecode La _Entity.Entry_ID 5235 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Lupus autoantigen protein' _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 ; MRSGHHHHHHGSLEEKIGCL LKFSGDLDDQTCREDLHILF SNHGEIKWIDFVRGAKEGII LFKEKAKEALGKAKDANNGN LQLRNKEVTWEVLEGEVEKE ALKKIIEDQQESLNKWKSKG R ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 17878 . human_La_protein . . . . . 83.47 322 100.00 100.00 5.62e-62 . . . . 5235 1 2 no PDB 1OWX . "Solution Structure Of The C-Terminal Rrm Of Human La (La225- 334)" . . . . . 100.00 121 98.35 98.35 1.70e-77 . . . . 5235 1 3 no DBJ BAE87871 . "unnamed protein product [Macaca fascicularis]" . . . . . 90.91 405 100.00 100.00 2.15e-68 . . . . 5235 1 4 no DBJ BAE87890 . "unnamed protein product [Macaca fascicularis]" . . . . . 90.91 405 100.00 100.00 2.15e-68 . . . . 5235 1 5 no DBJ BAG70042 . "autoantigen La [Homo sapiens]" . . . . . 90.91 408 100.00 100.00 2.29e-68 . . . . 5235 1 6 no DBJ BAG70165 . "autoantigen La [Homo sapiens]" . . . . . 90.91 408 100.00 100.00 2.20e-68 . . . . 5235 1 7 no DBJ BAI45822 . "Sjogren syndrome antigen B [synthetic construct]" . . . . . 90.91 408 100.00 100.00 2.29e-68 . . . . 5235 1 8 no EMBL CAA31985 . "unnamed protein product [Homo sapiens]" . . . . . 90.91 408 100.00 100.00 2.29e-68 . . . . 5235 1 9 no EMBL CAA32815 . "La 4.1 protein [Homo sapiens]" . . . . . 90.91 296 98.18 98.18 7.72e-68 . . . . 5235 1 10 no GB AAA36577 . "ribonucleoprotein La, partial [Homo sapiens]" . . . . . 90.91 355 99.09 99.09 7.20e-68 . . . . 5235 1 11 no GB AAA51885 . "La protein [Homo sapiens]" . . . . . 90.91 408 100.00 100.00 2.29e-68 . . . . 5235 1 12 no GB AAH01289 . "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" . . . . . 90.91 408 100.00 100.00 2.29e-68 . . . . 5235 1 13 no GB AAH20818 . "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" . . . . . 90.91 408 100.00 100.00 2.29e-68 . . . . 5235 1 14 no GB AAP88864 . "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" . . . . . 90.91 408 100.00 100.00 2.29e-68 . . . . 5235 1 15 no REF NP_001267347 . "lupus La protein [Pan troglodytes]" . . . . . 90.91 408 100.00 100.00 2.42e-68 . . . . 5235 1 16 no REF NP_001270975 . "Sjogren syndrome antigen B (autoantigen La) [Macaca fascicularis]" . . . . . 90.91 405 100.00 100.00 2.15e-68 . . . . 5235 1 17 no REF NP_001281074 . "lupus La protein [Homo sapiens]" . . . . . 90.91 408 100.00 100.00 2.29e-68 . . . . 5235 1 18 no REF NP_003133 . "lupus La protein [Homo sapiens]" . . . . . 90.91 408 100.00 100.00 2.29e-68 . . . . 5235 1 19 no REF XP_001497943 . "PREDICTED: lupus La protein homolog isoform 1 [Equus caballus]" . . . . . 90.91 405 97.27 99.09 1.60e-66 . . . . 5235 1 20 no SP P05455 . "RecName: Full=Lupus La protein; AltName: Full=La autoantigen; AltName: Full=La ribonucleoprotein; AltName: Full=Sjoegren syndro" . . . . . 90.91 408 100.00 100.00 2.29e-68 . . . . 5235 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Lupus autoantigen protein' common 5235 1 La abbreviation 5235 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 1 214 MET . 5235 1 2 215 ARG . 5235 1 3 216 SER . 5235 1 4 217 GLY . 5235 1 5 218 HIS . 5235 1 6 219 HIS . 5235 1 7 220 HIS . 5235 1 8 221 HIS . 5235 1 9 222 HIS . 5235 1 10 223 HIS . 5235 1 11 224 GLY . 5235 1 12 225 SER . 5235 1 13 226 LEU . 5235 1 14 227 GLU . 5235 1 15 228 GLU . 5235 1 16 229 LYS . 5235 1 17 230 ILE . 5235 1 18 231 GLY . 5235 1 19 232 CYS . 5235 1 20 233 LEU . 5235 1 21 234 LEU . 5235 1 22 235 LYS . 5235 1 23 236 PHE . 5235 1 24 237 SER . 5235 1 25 238 GLY . 5235 1 26 239 ASP . 5235 1 27 240 LEU . 5235 1 28 241 ASP . 5235 1 29 242 ASP . 5235 1 30 243 GLN . 5235 1 31 244 THR . 5235 1 32 245 CYS . 5235 1 33 246 ARG . 5235 1 34 247 GLU . 5235 1 35 248 ASP . 5235 1 36 249 LEU . 5235 1 37 250 HIS . 5235 1 38 251 ILE . 5235 1 39 252 LEU . 5235 1 40 253 PHE . 5235 1 41 254 SER . 5235 1 42 255 ASN . 5235 1 43 256 HIS . 5235 1 44 257 GLY . 5235 1 45 258 GLU . 5235 1 46 259 ILE . 5235 1 47 260 LYS . 5235 1 48 261 TRP . 5235 1 49 262 ILE . 5235 1 50 263 ASP . 5235 1 51 264 PHE . 5235 1 52 265 VAL . 5235 1 53 266 ARG . 5235 1 54 267 GLY . 5235 1 55 268 ALA . 5235 1 56 269 LYS . 5235 1 57 270 GLU . 5235 1 58 271 GLY . 5235 1 59 272 ILE . 5235 1 60 273 ILE . 5235 1 61 274 LEU . 5235 1 62 275 PHE . 5235 1 63 276 LYS . 5235 1 64 277 GLU . 5235 1 65 278 LYS . 5235 1 66 279 ALA . 5235 1 67 280 LYS . 5235 1 68 281 GLU . 5235 1 69 282 ALA . 5235 1 70 283 LEU . 5235 1 71 284 GLY . 5235 1 72 285 LYS . 5235 1 73 286 ALA . 5235 1 74 287 LYS . 5235 1 75 288 ASP . 5235 1 76 289 ALA . 5235 1 77 290 ASN . 5235 1 78 291 ASN . 5235 1 79 292 GLY . 5235 1 80 293 ASN . 5235 1 81 294 LEU . 5235 1 82 295 GLN . 5235 1 83 296 LEU . 5235 1 84 297 ARG . 5235 1 85 298 ASN . 5235 1 86 299 LYS . 5235 1 87 300 GLU . 5235 1 88 301 VAL . 5235 1 89 302 THR . 5235 1 90 303 TRP . 5235 1 91 304 GLU . 5235 1 92 305 VAL . 5235 1 93 306 LEU . 5235 1 94 307 GLU . 5235 1 95 308 GLY . 5235 1 96 309 GLU . 5235 1 97 310 VAL . 5235 1 98 311 GLU . 5235 1 99 312 LYS . 5235 1 100 313 GLU . 5235 1 101 314 ALA . 5235 1 102 315 LEU . 5235 1 103 316 LYS . 5235 1 104 317 LYS . 5235 1 105 318 ILE . 5235 1 106 319 ILE . 5235 1 107 320 GLU . 5235 1 108 321 ASP . 5235 1 109 322 GLN . 5235 1 110 323 GLN . 5235 1 111 324 GLU . 5235 1 112 325 SER . 5235 1 113 326 LEU . 5235 1 114 327 ASN . 5235 1 115 328 LYS . 5235 1 116 329 TRP . 5235 1 117 330 LYS . 5235 1 118 331 SER . 5235 1 119 332 LYS . 5235 1 120 333 GLY . 5235 1 121 334 ARG . 5235 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 . MET 1 1 5235 1 . ARG 2 2 5235 1 . SER 3 3 5235 1 . GLY 4 4 5235 1 . HIS 5 5 5235 1 . HIS 6 6 5235 1 . HIS 7 7 5235 1 . HIS 8 8 5235 1 . HIS 9 9 5235 1 . HIS 10 10 5235 1 . GLY 11 11 5235 1 . SER 12 12 5235 1 . LEU 13 13 5235 1 . GLU 14 14 5235 1 . GLU 15 15 5235 1 . LYS 16 16 5235 1 . ILE 17 17 5235 1 . GLY 18 18 5235 1 . CYS 19 19 5235 1 . LEU 20 20 5235 1 . LEU 21 21 5235 1 . LYS 22 22 5235 1 . PHE 23 23 5235 1 . SER 24 24 5235 1 . GLY 25 25 5235 1 . ASP 26 26 5235 1 . LEU 27 27 5235 1 . ASP 28 28 5235 1 . ASP 29 29 5235 1 . GLN 30 30 5235 1 . THR 31 31 5235 1 . CYS 32 32 5235 1 . ARG 33 33 5235 1 . GLU 34 34 5235 1 . ASP 35 35 5235 1 . LEU 36 36 5235 1 . HIS 37 37 5235 1 . ILE 38 38 5235 1 . LEU 39 39 5235 1 . PHE 40 40 5235 1 . SER 41 41 5235 1 . ASN 42 42 5235 1 . HIS 43 43 5235 1 . GLY 44 44 5235 1 . GLU 45 45 5235 1 . ILE 46 46 5235 1 . LYS 47 47 5235 1 . TRP 48 48 5235 1 . ILE 49 49 5235 1 . ASP 50 50 5235 1 . PHE 51 51 5235 1 . VAL 52 52 5235 1 . ARG 53 53 5235 1 . GLY 54 54 5235 1 . ALA 55 55 5235 1 . LYS 56 56 5235 1 . GLU 57 57 5235 1 . GLY 58 58 5235 1 . ILE 59 59 5235 1 . ILE 60 60 5235 1 . LEU 61 61 5235 1 . PHE 62 62 5235 1 . LYS 63 63 5235 1 . GLU 64 64 5235 1 . LYS 65 65 5235 1 . ALA 66 66 5235 1 . LYS 67 67 5235 1 . GLU 68 68 5235 1 . ALA 69 69 5235 1 . LEU 70 70 5235 1 . GLY 71 71 5235 1 . LYS 72 72 5235 1 . ALA 73 73 5235 1 . LYS 74 74 5235 1 . ASP 75 75 5235 1 . ALA 76 76 5235 1 . ASN 77 77 5235 1 . ASN 78 78 5235 1 . GLY 79 79 5235 1 . ASN 80 80 5235 1 . LEU 81 81 5235 1 . GLN 82 82 5235 1 . LEU 83 83 5235 1 . ARG 84 84 5235 1 . ASN 85 85 5235 1 . LYS 86 86 5235 1 . GLU 87 87 5235 1 . VAL 88 88 5235 1 . THR 89 89 5235 1 . TRP 90 90 5235 1 . GLU 91 91 5235 1 . VAL 92 92 5235 1 . LEU 93 93 5235 1 . GLU 94 94 5235 1 . GLY 95 95 5235 1 . GLU 96 96 5235 1 . VAL 97 97 5235 1 . GLU 98 98 5235 1 . LYS 99 99 5235 1 . GLU 100 100 5235 1 . ALA 101 101 5235 1 . LEU 102 102 5235 1 . LYS 103 103 5235 1 . LYS 104 104 5235 1 . ILE 105 105 5235 1 . ILE 106 106 5235 1 . GLU 107 107 5235 1 . ASP 108 108 5235 1 . GLN 109 109 5235 1 . GLN 110 110 5235 1 . GLU 111 111 5235 1 . SER 112 112 5235 1 . LEU 113 113 5235 1 . ASN 114 114 5235 1 . LYS 115 115 5235 1 . TRP 116 116 5235 1 . LYS 117 117 5235 1 . SER 118 118 5235 1 . LYS 119 119 5235 1 . GLY 120 120 5235 1 . ARG 121 121 5235 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5235 _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 $La . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5235 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 5235 _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 $La . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5235 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5235 _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 'Lupus autoantigen protein' '[U-95% 13C; U-93% 15N]' . . 1 $La . . 1.0 . . mM . . . . 5235 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5235 _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 7.0 0.1 n/a 5235 1 temperature 300 0.1 K 5235 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5235 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5235 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5235 _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_1 Varian INOVA . 600 . . . 5235 1 2 NMR_spectrometer_2 Varian INOVA . 800 . . . 5235 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 5235 _Experiment_list.ID 1 _Experiment_list.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 5235 _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 internal direct 1.0 . . . . . . . . . 5235 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5235 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5235 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5235 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 . 5235 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 12 12 SER N N 15 116.010 0.000 . 1 . . . . . . . . 5235 1 2 . 1 1 12 12 SER H H 1 8.310 0.000 . 1 . . . . . . . . 5235 1 3 . 1 1 12 12 SER CA C 13 58.475 0.000 . 1 . . . . . . . . 5235 1 4 . 1 1 12 12 SER HA H 1 4.440 0.000 . 1 . . . . . . . . 5235 1 5 . 1 1 12 12 SER CB C 13 63.776 0.000 . 1 . . . . . . . . 5235 1 6 . 1 1 12 12 SER HB2 H 1 3.860 0.000 . 2 . . . . . . . . 5235 1 7 . 1 1 12 12 SER HB3 H 1 3.950 0.000 . 2 . . . . . . . . 5235 1 8 . 1 1 12 12 SER C C 13 175.400 0.000 . 1 . . . . . . . . 5235 1 9 . 1 1 13 13 LEU N N 15 123.908 0.000 . 1 . . . . . . . . 5235 1 10 . 1 1 13 13 LEU H H 1 8.476 0.000 . 1 . . . . . . . . 5235 1 11 . 1 1 13 13 LEU CA C 13 56.516 0.000 . 1 . . . . . . . . 5235 1 12 . 1 1 13 13 LEU HA H 1 4.200 0.000 . 1 . . . . . . . . 5235 1 13 . 1 1 13 13 LEU CB C 13 42.109 0.000 . 1 . . . . . . . . 5235 1 14 . 1 1 13 13 LEU HB2 H 1 1.640 0.000 . 2 . . . . . . . . 5235 1 15 . 1 1 13 13 LEU HB3 H 1 1.570 0.000 . 2 . . . . . . . . 5235 1 16 . 1 1 13 13 LEU CG C 13 25.400 0.000 . 1 . . . . . . . . 5235 1 17 . 1 1 13 13 LEU HG H 1 0.840 0.000 . 1 . . . . . . . . 5235 1 18 . 1 1 13 13 LEU CD1 C 13 24.310 0.000 . 1 . . . . . . . . 5235 1 19 . 1 1 13 13 LEU CD2 C 13 24.310 0.000 . 1 . . . . . . . . 5235 1 20 . 1 1 13 13 LEU HD11 H 1 0.770 0.000 . 1 . . . . . . . . 5235 1 21 . 1 1 13 13 LEU HD12 H 1 0.770 0.000 . 1 . . . . . . . . 5235 1 22 . 1 1 13 13 LEU HD13 H 1 0.770 0.000 . 1 . . . . . . . . 5235 1 23 . 1 1 13 13 LEU HD21 H 1 0.770 0.000 . 1 . . . . . . . . 5235 1 24 . 1 1 13 13 LEU HD22 H 1 0.770 0.000 . 1 . . . . . . . . 5235 1 25 . 1 1 13 13 LEU HD23 H 1 0.770 0.000 . 1 . . . . . . . . 5235 1 26 . 1 1 13 13 LEU C C 13 177.800 0.000 . 1 . . . . . . . . 5235 1 27 . 1 1 14 14 GLU N N 15 118.908 0.000 . 1 . . . . . . . . 5235 1 28 . 1 1 14 14 GLU H H 1 8.407 0.000 . 1 . . . . . . . . 5235 1 29 . 1 1 14 14 GLU CA C 13 58.283 0.038 . 1 . . . . . . . . 5235 1 30 . 1 1 14 14 GLU HA H 1 4.050 0.000 . 1 . . . . . . . . 5235 1 31 . 1 1 14 14 GLU CB C 13 29.662 0.000 . 1 . . . . . . . . 5235 1 32 . 1 1 14 14 GLU HB2 H 1 2.000 0.000 . 1 . . . . . . . . 5235 1 33 . 1 1 14 14 GLU HB3 H 1 2.000 0.000 . 1 . . . . . . . . 5235 1 34 . 1 1 14 14 GLU CG C 13 36.880 0.000 . 1 . . . . . . . . 5235 1 35 . 1 1 14 14 GLU HG2 H 1 2.270 0.000 . 1 . . . . . . . . 5235 1 36 . 1 1 14 14 GLU HG3 H 1 2.270 0.000 . 1 . . . . . . . . 5235 1 37 . 1 1 14 14 GLU C C 13 177.200 0.000 . 1 . . . . . . . . 5235 1 38 . 1 1 15 15 GLU N N 15 119.158 0.000 . 1 . . . . . . . . 5235 1 39 . 1 1 15 15 GLU H H 1 8.136 0.000 . 1 . . . . . . . . 5235 1 40 . 1 1 15 15 GLU CA C 13 56.938 0.077 . 1 . . . . . . . . 5235 1 41 . 1 1 15 15 GLU HA H 1 4.250 0.000 . 1 . . . . . . . . 5235 1 42 . 1 1 15 15 GLU CB C 13 30.047 0.000 . 1 . . . . . . . . 5235 1 43 . 1 1 15 15 GLU HB2 H 1 2.050 0.000 . 1 . . . . . . . . 5235 1 44 . 1 1 15 15 GLU HB3 H 1 2.050 0.000 . 1 . . . . . . . . 5235 1 45 . 1 1 15 15 GLU CG C 13 36.880 0.000 . 1 . . . . . . . . 5235 1 46 . 1 1 15 15 GLU HG2 H 1 2.290 0.000 . 1 . . . . . . . . 5235 1 47 . 1 1 15 15 GLU HG3 H 1 2.290 0.000 . 1 . . . . . . . . 5235 1 48 . 1 1 15 15 GLU C C 13 176.200 0.000 . 1 . . . . . . . . 5235 1 49 . 1 1 16 16 LYS N N 15 120.908 0.000 . 1 . . . . . . . . 5235 1 50 . 1 1 16 16 LYS H H 1 8.004 0.000 . 1 . . . . . . . . 5235 1 51 . 1 1 16 16 LYS CA C 13 55.978 0.038 . 1 . . . . . . . . 5235 1 52 . 1 1 16 16 LYS HA H 1 4.500 0.000 . 1 . . . . . . . . 5235 1 53 . 1 1 16 16 LYS CB C 13 33.274 0.000 . 1 . . . . . . . . 5235 1 54 . 1 1 16 16 LYS HB2 H 1 1.770 0.000 . 2 . . . . . . . . 5235 1 55 . 1 1 16 16 LYS HB3 H 1 1.990 0.000 . 2 . . . . . . . . 5235 1 56 . 1 1 16 16 LYS CG C 13 25.400 0.000 . 1 . . . . . . . . 5235 1 57 . 1 1 16 16 LYS HG2 H 1 1.507 0.000 . 1 . . . . . . . . 5235 1 58 . 1 1 16 16 LYS HG3 H 1 1.507 0.000 . 1 . . . . . . . . 5235 1 59 . 1 1 16 16 LYS CD C 13 29.220 0.000 . 1 . . . . . . . . 5235 1 60 . 1 1 16 16 LYS HD2 H 1 1.670 0.000 . 1 . . . . . . . . 5235 1 61 . 1 1 16 16 LYS HD3 H 1 1.670 0.000 . 1 . . . . . . . . 5235 1 62 . 1 1 16 16 LYS CE C 13 41.300 0.000 . 1 . . . . . . . . 5235 1 63 . 1 1 16 16 LYS HE2 H 1 2.980 0.000 . 1 . . . . . . . . 5235 1 64 . 1 1 16 16 LYS HE3 H 1 2.980 0.000 . 1 . . . . . . . . 5235 1 65 . 1 1 16 16 LYS C C 13 175.300 0.000 . 1 . . . . . . . . 5235 1 66 . 1 1 17 17 ILE N N 15 120.158 0.000 . 1 . . . . . . . . 5235 1 67 . 1 1 17 17 ILE H H 1 7.486 0.000 . 1 . . . . . . . . 5235 1 68 . 1 1 17 17 ILE CA C 13 61.164 0.000 . 1 . . . . . . . . 5235 1 69 . 1 1 17 17 ILE HA H 1 4.220 0.000 . 1 . . . . . . . . 5235 1 70 . 1 1 17 17 ILE CB C 13 38.420 0.000 . 1 . . . . . . . . 5235 1 71 . 1 1 17 17 ILE HB H 1 1.970 0.000 . 1 . . . . . . . . 5235 1 72 . 1 1 17 17 ILE HG21 H 1 1.020 0.000 . 1 . . . . . . . . 5235 1 73 . 1 1 17 17 ILE HG22 H 1 1.020 0.000 . 1 . . . . . . . . 5235 1 74 . 1 1 17 17 ILE HG23 H 1 1.020 0.000 . 1 . . . . . . . . 5235 1 75 . 1 1 17 17 ILE CG2 C 13 17.700 0.000 . 1 . . . . . . . . 5235 1 76 . 1 1 17 17 ILE CG1 C 13 27.030 0.000 . 1 . . . . . . . . 5235 1 77 . 1 1 17 17 ILE HG12 H 1 1.200 0.000 . 1 . . . . . . . . 5235 1 78 . 1 1 17 17 ILE HG13 H 1 1.200 0.000 . 1 . . . . . . . . 5235 1 79 . 1 1 17 17 ILE HD11 H 1 0.788 0.000 . 1 . . . . . . . . 5235 1 80 . 1 1 17 17 ILE HD12 H 1 0.788 0.000 . 1 . . . . . . . . 5235 1 81 . 1 1 17 17 ILE HD13 H 1 0.788 0.000 . 1 . . . . . . . . 5235 1 82 . 1 1 17 17 ILE CD1 C 13 12.200 0.000 . 1 . . . . . . . . 5235 1 83 . 1 1 17 17 ILE C C 13 177.800 0.000 . 1 . . . . . . . . 5235 1 84 . 1 1 18 18 GLY N N 15 116.659 0.000 . 1 . . . . . . . . 5235 1 85 . 1 1 18 18 GLY H H 1 10.502 0.000 . 1 . . . . . . . . 5235 1 86 . 1 1 18 18 GLY CA C 13 46.220 0.038 . 1 . . . . . . . . 5235 1 87 . 1 1 18 18 GLY HA2 H 1 4.270 0.000 . 1 . . . . . . . . 5235 1 88 . 1 1 18 18 GLY HA3 H 1 4.270 0.000 . 1 . . . . . . . . 5235 1 89 . 1 1 18 18 GLY C C 13 177.090 0.000 . 1 . . . . . . . . 5235 1 90 . 1 1 19 19 CYS N N 15 118.408 0.000 . 1 . . . . . . . . 5235 1 91 . 1 1 19 19 CYS H H 1 8.562 0.000 . 1 . . . . . . . . 5235 1 92 . 1 1 19 19 CYS CA C 13 60.972 0.038 . 1 . . . . . . . . 5235 1 93 . 1 1 19 19 CYS HA H 1 4.560 0.000 . 1 . . . . . . . . 5235 1 94 . 1 1 19 19 CYS CB C 13 29.201 0.000 . 1 . . . . . . . . 5235 1 95 . 1 1 19 19 CYS HB2 H 1 2.900 0.000 . 1 . . . . . . . . 5235 1 96 . 1 1 19 19 CYS HB3 H 1 2.900 0.000 . 1 . . . . . . . . 5235 1 97 . 1 1 19 19 CYS C C 13 173.360 0.000 . 1 . . . . . . . . 5235 1 98 . 1 1 20 20 LEU N N 15 122.751 0.000 . 1 . . . . . . . . 5235 1 99 . 1 1 20 20 LEU H H 1 9.548 0.000 . 1 . . . . . . . . 5235 1 100 . 1 1 20 20 LEU CA C 13 54.710 0.000 . 1 . . . . . . . . 5235 1 101 . 1 1 20 20 LEU HA H 1 5.590 0.000 . 1 . . . . . . . . 5235 1 102 . 1 1 20 20 LEU CB C 13 44.875 0.000 . 1 . . . . . . . . 5235 1 103 . 1 1 20 20 LEU HB2 H 1 2.260 0.000 . 2 . . . . . . . . 5235 1 104 . 1 1 20 20 LEU HB3 H 1 1.400 0.000 . 2 . . . . . . . . 5235 1 105 . 1 1 20 20 LEU CG C 13 27.030 0.000 . 1 . . . . . . . . 5235 1 106 . 1 1 20 20 LEU HG H 1 1.850 0.000 . 1 . . . . . . . . 5235 1 107 . 1 1 20 20 LEU HD11 H 1 1.020 0.000 . 2 . . . . . . . . 5235 1 108 . 1 1 20 20 LEU HD12 H 1 1.020 0.000 . 2 . . . . . . . . 5235 1 109 . 1 1 20 20 LEU HD13 H 1 1.020 0.000 . 2 . . . . . . . . 5235 1 110 . 1 1 20 20 LEU HD21 H 1 0.860 0.000 . 2 . . . . . . . . 5235 1 111 . 1 1 20 20 LEU HD22 H 1 0.860 0.000 . 2 . . . . . . . . 5235 1 112 . 1 1 20 20 LEU HD23 H 1 0.860 0.000 . 2 . . . . . . . . 5235 1 113 . 1 1 20 20 LEU CD1 C 13 28.680 0.000 . 1 . . . . . . . . 5235 1 114 . 1 1 20 20 LEU CD2 C 13 26.490 0.000 . 1 . . . . . . . . 5235 1 115 . 1 1 20 20 LEU C C 13 175.100 0.000 . 1 . . . . . . . . 5235 1 116 . 1 1 21 21 LEU N N 15 124.427 0.000 . 1 . . . . . . . . 5235 1 117 . 1 1 21 21 LEU H H 1 9.360 0.000 . 1 . . . . . . . . 5235 1 118 . 1 1 21 21 LEU CA C 13 52.712 0.000 . 1 . . . . . . . . 5235 1 119 . 1 1 21 21 LEU HA H 1 5.130 0.000 . 1 . . . . . . . . 5235 1 120 . 1 1 21 21 LEU CB C 13 47.949 0.000 . 1 . . . . . . . . 5235 1 121 . 1 1 21 21 LEU HB2 H 1 2.260 0.000 . 2 . . . . . . . . 5235 1 122 . 1 1 21 21 LEU HB3 H 1 1.390 0.000 . 2 . . . . . . . . 5235 1 123 . 1 1 21 21 LEU CG C 13 28.680 0.000 . 1 . . . . . . . . 5235 1 124 . 1 1 21 21 LEU HG H 1 0.940 0.000 . 1 . . . . . . . . 5235 1 125 . 1 1 21 21 LEU HD11 H 1 1.120 0.000 . 2 . . . . . . . . 5235 1 126 . 1 1 21 21 LEU HD12 H 1 1.120 0.000 . 2 . . . . . . . . 5235 1 127 . 1 1 21 21 LEU HD13 H 1 1.120 0.000 . 2 . . . . . . . . 5235 1 128 . 1 1 21 21 LEU HD21 H 1 1.910 0.000 . 2 . . . . . . . . 5235 1 129 . 1 1 21 21 LEU HD22 H 1 1.910 0.000 . 2 . . . . . . . . 5235 1 130 . 1 1 21 21 LEU HD23 H 1 1.910 0.000 . 2 . . . . . . . . 5235 1 131 . 1 1 21 21 LEU CD1 C 13 25.390 0.000 . 1 . . . . . . . . 5235 1 132 . 1 1 21 21 LEU CD2 C 13 28.130 0.000 . 1 . . . . . . . . 5235 1 133 . 1 1 21 21 LEU C C 13 174.080 0.000 . 1 . . . . . . . . 5235 1 134 . 1 1 22 22 LYS N N 15 129.408 0.000 . 1 . . . . . . . . 5235 1 135 . 1 1 22 22 LYS H H 1 9.785 0.000 . 1 . . . . . . . . 5235 1 136 . 1 1 22 22 LYS CA C 13 54.556 0.000 . 1 . . . . . . . . 5235 1 137 . 1 1 22 22 LYS HA H 1 5.400 0.000 . 1 . . . . . . . . 5235 1 138 . 1 1 22 22 LYS CB C 13 36.340 0.000 . 1 . . . . . . . . 5235 1 139 . 1 1 22 22 LYS HB2 H 1 1.560 0.000 . 2 . . . . . . . . 5235 1 140 . 1 1 22 22 LYS HB3 H 1 1.940 0.000 . 2 . . . . . . . . 5235 1 141 . 1 1 22 22 LYS CG C 13 25.390 0.000 . 1 . . . . . . . . 5235 1 142 . 1 1 22 22 LYS HG2 H 1 1.420 0.000 . 1 . . . . . . . . 5235 1 143 . 1 1 22 22 LYS HG3 H 1 1.420 0.000 . 1 . . . . . . . . 5235 1 144 . 1 1 22 22 LYS CD C 13 30.320 0.000 . 1 . . . . . . . . 5235 1 145 . 1 1 22 22 LYS HD2 H 1 1.520 0.000 . 1 . . . . . . . . 5235 1 146 . 1 1 22 22 LYS HD3 H 1 1.520 0.000 . 1 . . . . . . . . 5235 1 147 . 1 1 22 22 LYS CE C 13 42.350 0.000 . 1 . . . . . . . . 5235 1 148 . 1 1 22 22 LYS HE2 H 1 2.680 0.000 . 2 . . . . . . . . 5235 1 149 . 1 1 22 22 LYS HE3 H 1 2.740 0.000 . 2 . . . . . . . . 5235 1 150 . 1 1 22 22 LYS C C 13 174.610 0.000 . 1 . . . . . . . . 5235 1 151 . 1 1 23 23 PHE N N 15 122.765 0.000 . 1 . . . . . . . . 5235 1 152 . 1 1 23 23 PHE H H 1 8.403 0.000 . 1 . . . . . . . . 5235 1 153 . 1 1 23 23 PHE CA C 13 53.634 0.000 . 1 . . . . . . . . 5235 1 154 . 1 1 23 23 PHE HA H 1 5.580 0.000 . 1 . . . . . . . . 5235 1 155 . 1 1 23 23 PHE CB C 13 42.340 0.000 . 1 . . . . . . . . 5235 1 156 . 1 1 23 23 PHE HB2 H 1 2.520 0.000 . 2 . . . . . . . . 5235 1 157 . 1 1 23 23 PHE HB3 H 1 1.690 0.000 . 2 . . . . . . . . 5235 1 158 . 1 1 23 23 PHE HD1 H 1 6.580 0.000 . 1 . . . . . . . . 5235 1 159 . 1 1 23 23 PHE HE1 H 1 6.480 0.000 . 1 . . . . . . . . 5235 1 160 . 1 1 23 23 PHE HZ H 1 6.140 0.000 . 1 . . . . . . . . 5235 1 161 . 1 1 23 23 PHE HE2 H 1 6.480 0.000 . 1 . . . . . . . . 5235 1 162 . 1 1 23 23 PHE HD2 H 1 6.580 0.000 . 1 . . . . . . . . 5235 1 163 . 1 1 23 23 PHE C C 13 173.760 0.000 . 1 . . . . . . . . 5235 1 164 . 1 1 24 24 SER N N 15 109.909 0.000 . 1 . . . . . . . . 5235 1 165 . 1 1 24 24 SER H H 1 7.858 0.000 . 1 . . . . . . . . 5235 1 166 . 1 1 24 24 SER CA C 13 57.399 0.000 . 1 . . . . . . . . 5235 1 167 . 1 1 24 24 SER HA H 1 5.140 0.000 . 1 . . . . . . . . 5235 1 168 . 1 1 24 24 SER CB C 13 66.043 0.038 . 1 . . . . . . . . 5235 1 169 . 1 1 24 24 SER HB2 H 1 3.940 0.000 . 1 . . . . . . . . 5235 1 170 . 1 1 24 24 SER HB3 H 1 3.940 0.000 . 1 . . . . . . . . 5235 1 171 . 1 1 24 24 SER C C 13 172.310 0.000 . 1 . . . . . . . . 5235 1 172 . 1 1 25 25 GLY N N 15 106.659 0.000 . 1 . . . . . . . . 5235 1 173 . 1 1 25 25 GLY H H 1 8.262 0.000 . 1 . . . . . . . . 5235 1 174 . 1 1 25 25 GLY CA C 13 44.952 0.000 . 1 . . . . . . . . 5235 1 175 . 1 1 25 25 GLY HA2 H 1 3.980 0.000 . 2 . . . . . . . . 5235 1 176 . 1 1 25 25 GLY HA3 H 1 4.330 0.000 . 2 . . . . . . . . 5235 1 177 . 1 1 25 25 GLY C C 13 172.480 0.000 . 1 . . . . . . . . 5235 1 178 . 1 1 26 26 ASP N N 15 124.158 0.000 . 1 . . . . . . . . 5235 1 179 . 1 1 26 26 ASP H H 1 9.290 0.000 . 1 . . . . . . . . 5235 1 180 . 1 1 26 26 ASP CA C 13 52.444 0.038 . 1 . . . . . . . . 5235 1 181 . 1 1 26 26 ASP HA H 1 4.980 0.000 . 1 . . . . . . . . 5235 1 182 . 1 1 26 26 ASP CB C 13 38.268 0.000 . 1 . . . . . . . . 5235 1 183 . 1 1 26 26 ASP HB2 H 1 2.840 0.000 . 2 . . . . . . . . 5235 1 184 . 1 1 26 26 ASP HB3 H 1 2.520 0.000 . 2 . . . . . . . . 5235 1 185 . 1 1 26 26 ASP C C 13 176.380 0.000 . 1 . . . . . . . . 5235 1 186 . 1 1 27 27 LEU N N 15 116.158 0.000 . 1 . . . . . . . . 5235 1 187 . 1 1 27 27 LEU H H 1 7.385 0.000 . 1 . . . . . . . . 5235 1 188 . 1 1 27 27 LEU CA C 13 55.133 0.038 . 1 . . . . . . . . 5235 1 189 . 1 1 27 27 LEU HA H 1 3.990 0.000 . 1 . . . . . . . . 5235 1 190 . 1 1 27 27 LEU CB C 13 40.304 0.038 . 1 . . . . . . . . 5235 1 191 . 1 1 27 27 LEU HB2 H 1 1.890 0.000 . 2 . . . . . . . . 5235 1 192 . 1 1 27 27 LEU HB3 H 1 1.480 0.000 . 2 . . . . . . . . 5235 1 193 . 1 1 27 27 LEU CG C 13 25.030 0.000 . 1 . . . . . . . . 5235 1 194 . 1 1 27 27 LEU HG H 1 1.770 0.000 . 1 . . . . . . . . 5235 1 195 . 1 1 27 27 LEU HD11 H 1 0.600 0.000 . 2 . . . . . . . . 5235 1 196 . 1 1 27 27 LEU HD12 H 1 0.600 0.000 . 2 . . . . . . . . 5235 1 197 . 1 1 27 27 LEU HD13 H 1 0.600 0.000 . 2 . . . . . . . . 5235 1 198 . 1 1 27 27 LEU HD21 H 1 0.970 0.000 . 2 . . . . . . . . 5235 1 199 . 1 1 27 27 LEU HD22 H 1 0.970 0.000 . 2 . . . . . . . . 5235 1 200 . 1 1 27 27 LEU HD23 H 1 0.970 0.000 . 2 . . . . . . . . 5235 1 201 . 1 1 27 27 LEU CD1 C 13 20.660 0.000 . 1 . . . . . . . . 5235 1 202 . 1 1 27 27 LEU CD2 C 13 24.490 0.000 . 1 . . . . . . . . 5235 1 203 . 1 1 27 27 LEU C C 13 177.930 0.000 . 1 . . . . . . . . 5235 1 204 . 1 1 28 28 ASP N N 15 122.793 0.000 . 1 . . . . . . . . 5235 1 205 . 1 1 28 28 ASP H H 1 9.000 0.000 . 1 . . . . . . . . 5235 1 206 . 1 1 28 28 ASP CA C 13 54.480 0.000 . 1 . . . . . . . . 5235 1 207 . 1 1 28 28 ASP HA H 1 4.550 0.000 . 1 . . . . . . . . 5235 1 208 . 1 1 28 28 ASP CB C 13 43.723 0.000 . 1 . . . . . . . . 5235 1 209 . 1 1 28 28 ASP HB2 H 1 2.520 0.000 . 1 . . . . . . . . 5235 1 210 . 1 1 28 28 ASP HB3 H 1 2.520 0.000 . 1 . . . . . . . . 5235 1 211 . 1 1 28 28 ASP C C 13 179.020 0.000 . 1 . . . . . . . . 5235 1 212 . 1 1 29 29 ASP N N 15 129.020 0.000 . 1 . . . . . . . . 5235 1 213 . 1 1 29 29 ASP H H 1 9.330 0.000 . 1 . . . . . . . . 5235 1 214 . 1 1 29 29 ASP CA C 13 57.557 0.000 . 1 . . . . . . . . 5235 1 215 . 1 1 29 29 ASP HA H 1 4.500 0.000 . 1 . . . . . . . . 5235 1 216 . 1 1 29 29 ASP CB C 13 40.520 0.000 . 1 . . . . . . . . 5235 1 217 . 1 1 29 29 ASP HB2 H 1 2.780 0.000 . 2 . . . . . . . . 5235 1 218 . 1 1 29 29 ASP HB3 H 1 2.820 0.000 . 2 . . . . . . . . 5235 1 219 . 1 1 29 29 ASP C C 13 177.230 0.000 . 1 . . . . . . . . 5235 1 220 . 1 1 30 30 GLN N N 15 118.260 0.000 . 1 . . . . . . . . 5235 1 221 . 1 1 30 30 GLN H H 1 9.360 0.000 . 1 . . . . . . . . 5235 1 222 . 1 1 30 30 GLN CA C 13 55.560 0.000 . 1 . . . . . . . . 5235 1 223 . 1 1 30 30 GLN HA H 1 4.340 0.000 . 1 . . . . . . . . 5235 1 224 . 1 1 30 30 GLN CB C 13 28.920 0.000 . 1 . . . . . . . . 5235 1 225 . 1 1 30 30 GLN HB2 H 1 1.870 0.000 . 2 . . . . . . . . 5235 1 226 . 1 1 30 30 GLN HB3 H 1 2.280 0.000 . 2 . . . . . . . . 5235 1 227 . 1 1 30 30 GLN CG C 13 34.700 0.000 . 1 . . . . . . . . 5235 1 228 . 1 1 30 30 GLN HG2 H 1 2.360 0.000 . 2 . . . . . . . . 5235 1 229 . 1 1 30 30 GLN HG3 H 1 2.480 0.000 . 2 . . . . . . . . 5235 1 230 . 1 1 30 30 GLN C C 13 175.740 0.000 . 1 . . . . . . . . 5235 1 231 . 1 1 31 31 THR N N 15 116.510 0.000 . 1 . . . . . . . . 5235 1 232 . 1 1 31 31 THR H H 1 7.880 0.000 . 1 . . . . . . . . 5235 1 233 . 1 1 31 31 THR CA C 13 65.400 0.000 . 1 . . . . . . . . 5235 1 234 . 1 1 31 31 THR HA H 1 4.210 0.000 . 1 . . . . . . . . 5235 1 235 . 1 1 31 31 THR CB C 13 69.100 0.000 . 1 . . . . . . . . 5235 1 236 . 1 1 31 31 THR HB H 1 4.310 0.000 . 1 . . . . . . . . 5235 1 237 . 1 1 31 31 THR HG21 H 1 1.080 0.000 . 1 . . . . . . . . 5235 1 238 . 1 1 31 31 THR HG22 H 1 1.080 0.000 . 1 . . . . . . . . 5235 1 239 . 1 1 31 31 THR HG23 H 1 1.080 0.000 . 1 . . . . . . . . 5235 1 240 . 1 1 31 31 THR CG2 C 13 21.570 0.000 . 1 . . . . . . . . 5235 1 241 . 1 1 32 32 CYS CA C 13 55.400 0.000 . 1 . . . . . . . . 5235 1 242 . 1 1 32 32 CYS CB C 13 32.690 0.000 . 1 . . . . . . . . 5235 1 243 . 1 1 32 32 CYS C C 13 174.700 0.000 . 1 . . . . . . . . 5235 1 244 . 1 1 33 33 ARG N N 15 120.510 0.000 . 1 . . . . . . . . 5235 1 245 . 1 1 33 33 ARG H H 1 9.300 0.000 . 1 . . . . . . . . 5235 1 246 . 1 1 33 33 ARG CA C 13 60.920 0.000 . 1 . . . . . . . . 5235 1 247 . 1 1 33 33 ARG CB C 13 30.170 0.000 . 1 . . . . . . . . 5235 1 248 . 1 1 33 33 ARG C C 13 178.230 0.000 . 1 . . . . . . . . 5235 1 249 . 1 1 34 34 GLU N N 15 118.000 0.000 . 1 . . . . . . . . 5235 1 250 . 1 1 34 34 GLU H H 1 7.650 0.000 . 1 . . . . . . . . 5235 1 251 . 1 1 34 34 GLU CA C 13 60.920 0.000 . 1 . . . . . . . . 5235 1 252 . 1 1 34 34 GLU HA H 1 4.670 0.000 . 1 . . . . . . . . 5235 1 253 . 1 1 34 34 GLU CB C 13 28.880 0.000 . 1 . . . . . . . . 5235 1 254 . 1 1 34 34 GLU HB2 H 1 2.030 0.000 . 1 . . . . . . . . 5235 1 255 . 1 1 34 34 GLU HB3 H 1 2.030 0.000 . 1 . . . . . . . . 5235 1 256 . 1 1 34 34 GLU CG C 13 34.690 0.000 . 1 . . . . . . . . 5235 1 257 . 1 1 34 34 GLU HG2 H 1 2.030 0.000 . 2 . . . . . . . . 5235 1 258 . 1 1 34 34 GLU HG3 H 1 2.330 0.000 . 2 . . . . . . . . 5235 1 259 . 1 1 34 34 GLU C C 13 178.100 0.000 . 1 . . . . . . . . 5235 1 260 . 1 1 35 35 ASP N N 15 117.908 0.000 . 1 . . . . . . . . 5235 1 261 . 1 1 35 35 ASP H H 1 7.680 0.000 . 1 . . . . . . . . 5235 1 262 . 1 1 35 35 ASP CA C 13 57.668 0.038 . 1 . . . . . . . . 5235 1 263 . 1 1 35 35 ASP HA H 1 4.350 0.000 . 1 . . . . . . . . 5235 1 264 . 1 1 35 35 ASP CB C 13 41.380 0.038 . 1 . . . . . . . . 5235 1 265 . 1 1 35 35 ASP HB2 H 1 3.100 0.000 . 2 . . . . . . . . 5235 1 266 . 1 1 35 35 ASP HB3 H 1 2.580 0.000 . 2 . . . . . . . . 5235 1 267 . 1 1 35 35 ASP C C 13 179.110 0.000 . 1 . . . . . . . . 5235 1 268 . 1 1 36 36 LEU N N 15 120.408 0.000 . 1 . . . . . . . . 5235 1 269 . 1 1 36 36 LEU H H 1 7.383 0.000 . 1 . . . . . . . . 5235 1 270 . 1 1 36 36 LEU CA C 13 56.400 0.000 . 1 . . . . . . . . 5235 1 271 . 1 1 36 36 LEU HA H 1 4.090 0.000 . 1 . . . . . . . . 5235 1 272 . 1 1 36 36 LEU CB C 13 40.458 0.038 . 1 . . . . . . . . 5235 1 273 . 1 1 36 36 LEU HB2 H 1 2.120 0.000 . 1 . . . . . . . . 5235 1 274 . 1 1 36 36 LEU HB3 H 1 2.120 0.000 . 1 . . . . . . . . 5235 1 275 . 1 1 36 36 LEU CG C 13 29.220 0.000 . 1 . . . . . . . . 5235 1 276 . 1 1 36 36 LEU HG H 1 1.340 0.000 . 1 . . . . . . . . 5235 1 277 . 1 1 36 36 LEU HD11 H 1 0.430 0.000 . 2 . . . . . . . . 5235 1 278 . 1 1 36 36 LEU HD12 H 1 0.430 0.000 . 2 . . . . . . . . 5235 1 279 . 1 1 36 36 LEU HD13 H 1 0.430 0.000 . 2 . . . . . . . . 5235 1 280 . 1 1 36 36 LEU HD21 H 1 0.390 0.000 . 2 . . . . . . . . 5235 1 281 . 1 1 36 36 LEU HD22 H 1 0.390 0.000 . 2 . . . . . . . . 5235 1 282 . 1 1 36 36 LEU HD23 H 1 0.390 0.000 . 2 . . . . . . . . 5235 1 283 . 1 1 36 36 LEU CD1 C 13 24.300 0.000 . 1 . . . . . . . . 5235 1 284 . 1 1 36 36 LEU CD2 C 13 24.300 0.000 . 1 . . . . . . . . 5235 1 285 . 1 1 36 36 LEU C C 13 178.340 0.000 . 1 . . . . . . . . 5235 1 286 . 1 1 37 37 HIS N N 15 118.658 0.000 . 1 . . . . . . . . 5235 1 287 . 1 1 37 37 HIS H H 1 7.650 0.000 . 1 . . . . . . . . 5235 1 288 . 1 1 37 37 HIS CA C 13 60.473 0.000 . 1 . . . . . . . . 5235 1 289 . 1 1 37 37 HIS HA H 1 4.110 0.000 . 1 . . . . . . . . 5235 1 290 . 1 1 37 37 HIS CB C 13 30.316 0.038 . 1 . . . . . . . . 5235 1 291 . 1 1 37 37 HIS HB2 H 1 3.180 0.000 . 1 . . . . . . . . 5235 1 292 . 1 1 37 37 HIS HB3 H 1 3.180 0.000 . 1 . . . . . . . . 5235 1 293 . 1 1 37 37 HIS C C 13 178.900 0.000 . 1 . . . . . . . . 5235 1 294 . 1 1 38 38 ILE N N 15 119.158 0.000 . 1 . . . . . . . . 5235 1 295 . 1 1 38 38 ILE H H 1 8.260 0.000 . 1 . . . . . . . . 5235 1 296 . 1 1 38 38 ILE CA C 13 64.660 0.038 . 1 . . . . . . . . 5235 1 297 . 1 1 38 38 ILE HA H 1 3.810 0.000 . 1 . . . . . . . . 5235 1 298 . 1 1 38 38 ILE CB C 13 38.345 0.000 . 1 . . . . . . . . 5235 1 299 . 1 1 38 38 ILE HB H 1 1.860 0.000 . 1 . . . . . . . . 5235 1 300 . 1 1 38 38 ILE HG21 H 1 0.940 0.000 . 1 . . . . . . . . 5235 1 301 . 1 1 38 38 ILE HG22 H 1 0.940 0.000 . 1 . . . . . . . . 5235 1 302 . 1 1 38 38 ILE HG23 H 1 0.940 0.000 . 1 . . . . . . . . 5235 1 303 . 1 1 38 38 ILE CG2 C 13 13.910 0.000 . 1 . . . . . . . . 5235 1 304 . 1 1 38 38 ILE CG1 C 13 29.220 0.000 . 1 . . . . . . . . 5235 1 305 . 1 1 38 38 ILE HG12 H 1 1.780 0.000 . 2 . . . . . . . . 5235 1 306 . 1 1 38 38 ILE HG13 H 1 1.210 0.000 . 2 . . . . . . . . 5235 1 307 . 1 1 38 38 ILE HD11 H 1 0.890 0.000 . 1 . . . . . . . . 5235 1 308 . 1 1 38 38 ILE HD12 H 1 0.890 0.000 . 1 . . . . . . . . 5235 1 309 . 1 1 38 38 ILE HD13 H 1 0.890 0.000 . 1 . . . . . . . . 5235 1 310 . 1 1 38 38 ILE CD1 C 13 13.360 0.000 . 1 . . . . . . . . 5235 1 311 . 1 1 38 38 ILE C C 13 178.800 0.000 . 1 . . . . . . . . 5235 1 312 . 1 1 39 39 LEU N N 15 120.661 0.000 . 1 . . . . . . . . 5235 1 313 . 1 1 39 39 LEU H H 1 7.546 0.000 . 1 . . . . . . . . 5235 1 314 . 1 1 39 39 LEU CA C 13 57.476 0.000 . 1 . . . . . . . . 5235 1 315 . 1 1 39 39 LEU HA H 1 4.010 0.000 . 1 . . . . . . . . 5235 1 316 . 1 1 39 39 LEU CB C 13 43.454 0.038 . 1 . . . . . . . . 5235 1 317 . 1 1 39 39 LEU HB2 H 1 1.560 0.000 . 2 . . . . . . . . 5235 1 318 . 1 1 39 39 LEU HB3 H 1 1.420 0.000 . 2 . . . . . . . . 5235 1 319 . 1 1 39 39 LEU CG C 13 24.000 0.000 . 1 . . . . . . . . 5235 1 320 . 1 1 39 39 LEU HG H 1 0.830 0.000 . 1 . . . . . . . . 5235 1 321 . 1 1 39 39 LEU HD11 H 1 0.600 0.000 . 2 . . . . . . . . 5235 1 322 . 1 1 39 39 LEU HD12 H 1 0.600 0.000 . 2 . . . . . . . . 5235 1 323 . 1 1 39 39 LEU HD13 H 1 0.600 0.000 . 2 . . . . . . . . 5235 1 324 . 1 1 39 39 LEU HD21 H 1 0.910 0.000 . 2 . . . . . . . . 5235 1 325 . 1 1 39 39 LEU HD22 H 1 0.910 0.000 . 2 . . . . . . . . 5235 1 326 . 1 1 39 39 LEU HD23 H 1 0.910 0.000 . 2 . . . . . . . . 5235 1 327 . 1 1 39 39 LEU CD1 C 13 25.400 0.000 . 1 . . . . . . . . 5235 1 328 . 1 1 39 39 LEU CD2 C 13 25.400 0.000 . 1 . . . . . . . . 5235 1 329 . 1 1 39 39 LEU C C 13 178.400 0.000 . 1 . . . . . . . . 5235 1 330 . 1 1 40 40 PHE N N 15 109.659 0.000 . 1 . . . . . . . . 5235 1 331 . 1 1 40 40 PHE H H 1 7.690 0.000 . 1 . . . . . . . . 5235 1 332 . 1 1 40 40 PHE CA C 13 60.626 0.000 . 1 . . . . . . . . 5235 1 333 . 1 1 40 40 PHE HA H 1 4.560 0.000 . 1 . . . . . . . . 5235 1 334 . 1 1 40 40 PHE CB C 13 40.265 0.077 . 1 . . . . . . . . 5235 1 335 . 1 1 40 40 PHE HB2 H 1 3.500 0.000 . 2 . . . . . . . . 5235 1 336 . 1 1 40 40 PHE HB3 H 1 2.860 0.000 . 2 . . . . . . . . 5235 1 337 . 1 1 40 40 PHE HD1 H 1 7.240 0.000 . 1 . . . . . . . . 5235 1 338 . 1 1 40 40 PHE HE1 H 1 6.790 0.000 . 1 . . . . . . . . 5235 1 339 . 1 1 40 40 PHE HZ H 1 6.000 0.000 . 1 . . . . . . . . 5235 1 340 . 1 1 40 40 PHE HE2 H 1 6.790 0.000 . 1 . . . . . . . . 5235 1 341 . 1 1 40 40 PHE HD2 H 1 7.240 0.000 . 1 . . . . . . . . 5235 1 342 . 1 1 40 40 PHE C C 13 176.130 0.000 . 1 . . . . . . . . 5235 1 343 . 1 1 41 41 SER N N 15 117.408 0.000 . 1 . . . . . . . . 5235 1 344 . 1 1 41 41 SER H H 1 7.914 0.000 . 1 . . . . . . . . 5235 1 345 . 1 1 41 41 SER CA C 13 56.800 0.000 . 1 . . . . . . . . 5235 1 346 . 1 1 41 41 SER HA H 1 4.290 0.000 . 1 . . . . . . . . 5235 1 347 . 1 1 41 41 SER CB C 13 62.620 0.000 . 1 . . . . . . . . 5235 1 348 . 1 1 41 41 SER HB2 H 1 4.000 0.000 . 1 . . . . . . . . 5235 1 349 . 1 1 41 41 SER HB3 H 1 4.000 0.000 . 1 . . . . . . . . 5235 1 350 . 1 1 41 41 SER C C 13 175.470 0.000 . 1 . . . . . . . . 5235 1 351 . 1 1 42 42 ASN N N 15 117.408 0.000 . 1 . . . . . . . . 5235 1 352 . 1 1 42 42 ASN H H 1 8.650 0.000 . 1 . . . . . . . . 5235 1 353 . 1 1 42 42 ASN CA C 13 54.979 0.038 . 1 . . . . . . . . 5235 1 354 . 1 1 42 42 ASN HA H 1 4.490 0.000 . 1 . . . . . . . . 5235 1 355 . 1 1 42 42 ASN CB C 13 38.037 0.000 . 1 . . . . . . . . 5235 1 356 . 1 1 42 42 ASN HB2 H 1 2.570 0.000 . 2 . . . . . . . . 5235 1 357 . 1 1 42 42 ASN HB3 H 1 2.290 0.000 . 2 . . . . . . . . 5235 1 358 . 1 1 42 42 ASN C C 13 174.800 0.000 . 1 . . . . . . . . 5235 1 359 . 1 1 43 43 HIS N N 15 119.158 0.000 . 1 . . . . . . . . 5235 1 360 . 1 1 43 43 HIS H H 1 8.229 0.000 . 1 . . . . . . . . 5235 1 361 . 1 1 43 43 HIS CA C 13 56.516 0.038 . 1 . . . . . . . . 5235 1 362 . 1 1 43 43 HIS HA H 1 4.860 0.000 . 1 . . . . . . . . 5235 1 363 . 1 1 43 43 HIS CB C 13 33.005 0.038 . 1 . . . . . . . . 5235 1 364 . 1 1 43 43 HIS HB2 H 1 3.430 0.000 . 2 . . . . . . . . 5235 1 365 . 1 1 43 43 HIS HB3 H 1 2.910 0.000 . 2 . . . . . . . . 5235 1 366 . 1 1 43 43 HIS C C 13 174.730 0.000 . 1 . . . . . . . . 5235 1 367 . 1 1 44 44 GLY N N 15 104.739 0.000 . 1 . . . . . . . . 5235 1 368 . 1 1 44 44 GLY H H 1 8.103 0.000 . 1 . . . . . . . . 5235 1 369 . 1 1 44 44 GLY CA C 13 45.140 0.038 . 1 . . . . . . . . 5235 1 370 . 1 1 44 44 GLY HA2 H 1 3.690 0.000 . 2 . . . . . . . . 5235 1 371 . 1 1 44 44 GLY HA3 H 1 4.250 0.000 . 2 . . . . . . . . 5235 1 372 . 1 1 44 44 GLY C C 13 170.900 0.000 . 1 . . . . . . . . 5235 1 373 . 1 1 45 45 GLU N N 15 123.658 0.000 . 1 . . . . . . . . 5235 1 374 . 1 1 45 45 GLU H H 1 9.692 0.000 . 1 . . . . . . . . 5235 1 375 . 1 1 45 45 GLU CA C 13 55.363 0.038 . 1 . . . . . . . . 5235 1 376 . 1 1 45 45 GLU HA H 1 4.690 0.000 . 1 . . . . . . . . 5235 1 377 . 1 1 45 45 GLU CB C 13 31.122 0.000 . 1 . . . . . . . . 5235 1 378 . 1 1 45 45 GLU HB2 H 1 2.070 0.000 . 1 . . . . . . . . 5235 1 379 . 1 1 45 45 GLU HB3 H 1 2.070 0.000 . 1 . . . . . . . . 5235 1 380 . 1 1 45 45 GLU CG C 13 35.240 0.000 . 1 . . . . . . . . 5235 1 381 . 1 1 45 45 GLU HG2 H 1 2.350 0.000 . 1 . . . . . . . . 5235 1 382 . 1 1 45 45 GLU HG3 H 1 2.350 0.000 . 1 . . . . . . . . 5235 1 383 . 1 1 45 45 GLU C C 13 175.180 0.000 . 1 . . . . . . . . 5235 1 384 . 1 1 46 46 ILE N N 15 128.027 0.000 . 1 . . . . . . . . 5235 1 385 . 1 1 46 46 ILE H H 1 8.985 0.000 . 1 . . . . . . . . 5235 1 386 . 1 1 46 46 ILE CA C 13 63.239 0.000 . 1 . . . . . . . . 5235 1 387 . 1 1 46 46 ILE HA H 1 3.550 0.000 . 1 . . . . . . . . 5235 1 388 . 1 1 46 46 ILE CB C 13 38.421 0.000 . 1 . . . . . . . . 5235 1 389 . 1 1 46 46 ILE HB H 1 1.530 0.000 . 1 . . . . . . . . 5235 1 390 . 1 1 46 46 ILE HG21 H 1 0.414 0.000 . 1 . . . . . . . . 5235 1 391 . 1 1 46 46 ILE HG22 H 1 0.414 0.000 . 1 . . . . . . . . 5235 1 392 . 1 1 46 46 ILE HG23 H 1 0.414 0.000 . 1 . . . . . . . . 5235 1 393 . 1 1 46 46 ILE CG2 C 13 17.190 0.000 . 1 . . . . . . . . 5235 1 394 . 1 1 46 46 ILE CG1 C 13 28.680 0.000 . 1 . . . . . . . . 5235 1 395 . 1 1 46 46 ILE HG12 H 1 0.010 0.000 . 1 . . . . . . . . 5235 1 396 . 1 1 46 46 ILE HG13 H 1 0.010 0.000 . 1 . . . . . . . . 5235 1 397 . 1 1 46 46 ILE HD11 H 1 0.414 0.000 . 1 . . . . . . . . 5235 1 398 . 1 1 46 46 ILE HD12 H 1 0.414 0.000 . 1 . . . . . . . . 5235 1 399 . 1 1 46 46 ILE HD13 H 1 0.414 0.000 . 1 . . . . . . . . 5235 1 400 . 1 1 46 46 ILE CD1 C 13 13.300 0.000 . 1 . . . . . . . . 5235 1 401 . 1 1 46 46 ILE C C 13 176.630 0.000 . 1 . . . . . . . . 5235 1 402 . 1 1 47 47 LYS N N 15 127.658 0.000 . 1 . . . . . . . . 5235 1 403 . 1 1 47 47 LYS H H 1 9.427 0.000 . 1 . . . . . . . . 5235 1 404 . 1 1 47 47 LYS CA C 13 55.594 0.038 . 1 . . . . . . . . 5235 1 405 . 1 1 47 47 LYS HA H 1 4.580 0.000 . 1 . . . . . . . . 5235 1 406 . 1 1 47 47 LYS CB C 13 33.312 0.038 . 1 . . . . . . . . 5235 1 407 . 1 1 47 47 LYS HB2 H 1 1.470 0.000 . 2 . . . . . . . . 5235 1 408 . 1 1 47 47 LYS HB3 H 1 1.860 0.000 . 2 . . . . . . . . 5235 1 409 . 1 1 47 47 LYS CG C 13 23.200 0.000 . 1 . . . . . . . . 5235 1 410 . 1 1 47 47 LYS HG2 H 1 1.480 0.000 . 1 . . . . . . . . 5235 1 411 . 1 1 47 47 LYS HG3 H 1 1.480 0.000 . 1 . . . . . . . . 5235 1 412 . 1 1 47 47 LYS CD C 13 28.130 0.000 . 1 . . . . . . . . 5235 1 413 . 1 1 47 47 LYS HD2 H 1 1.650 0.000 . 1 . . . . . . . . 5235 1 414 . 1 1 47 47 LYS HD3 H 1 1.650 0.000 . 1 . . . . . . . . 5235 1 415 . 1 1 47 47 LYS CE C 13 41.250 0.000 . 1 . . . . . . . . 5235 1 416 . 1 1 47 47 LYS HE2 H 1 3.030 0.000 . 1 . . . . . . . . 5235 1 417 . 1 1 47 47 LYS HE3 H 1 3.030 0.000 . 1 . . . . . . . . 5235 1 418 . 1 1 47 47 LYS C C 13 176.580 0.000 . 1 . . . . . . . . 5235 1 419 . 1 1 48 48 TRP N N 15 119.658 0.000 . 1 . . . . . . . . 5235 1 420 . 1 1 48 48 TRP H H 1 8.006 0.003 . 1 . . . . . . . . 5235 1 421 . 1 1 48 48 TRP CA C 13 57.668 0.038 . 1 . . . . . . . . 5235 1 422 . 1 1 48 48 TRP HA H 1 4.650 0.000 . 1 . . . . . . . . 5235 1 423 . 1 1 48 48 TRP CB C 13 33.235 0.038 . 1 . . . . . . . . 5235 1 424 . 1 1 48 48 TRP HB2 H 1 2.770 0.000 . 2 . . . . . . . . 5235 1 425 . 1 1 48 48 TRP HB3 H 1 3.360 0.000 . 2 . . . . . . . . 5235 1 426 . 1 1 48 48 TRP NE1 N 15 131.480 0.000 . 1 . . . . . . . . 5235 1 427 . 1 1 48 48 TRP HD1 H 1 7.490 0.000 . 1 . . . . . . . . 5235 1 428 . 1 1 48 48 TRP HE3 H 1 7.520 0.000 . 1 . . . . . . . . 5235 1 429 . 1 1 48 48 TRP HE1 H 1 11.150 0.000 . 1 . . . . . . . . 5235 1 430 . 1 1 48 48 TRP HZ3 H 1 7.230 0.000 . 1 . . . . . . . . 5235 1 431 . 1 1 48 48 TRP HZ2 H 1 6.740 0.000 . 1 . . . . . . . . 5235 1 432 . 1 1 48 48 TRP HH2 H 1 7.130 0.000 . 1 . . . . . . . . 5235 1 433 . 1 1 48 48 TRP C C 13 172.860 0.000 . 1 . . . . . . . . 5235 1 434 . 1 1 49 49 ILE N N 15 124.658 0.000 . 1 . . . . . . . . 5235 1 435 . 1 1 49 49 ILE H H 1 7.450 0.000 . 1 . . . . . . . . 5235 1 436 . 1 1 49 49 ILE CA C 13 60.626 0.000 . 1 . . . . . . . . 5235 1 437 . 1 1 49 49 ILE HA H 1 4.600 0.000 . 1 . . . . . . . . 5235 1 438 . 1 1 49 49 ILE CB C 13 41.187 0.000 . 1 . . . . . . . . 5235 1 439 . 1 1 49 49 ILE HB H 1 1.420 0.000 . 1 . . . . . . . . 5235 1 440 . 1 1 49 49 ILE HG21 H 1 0.820 0.000 . 1 . . . . . . . . 5235 1 441 . 1 1 49 49 ILE HG22 H 1 0.820 0.000 . 1 . . . . . . . . 5235 1 442 . 1 1 49 49 ILE HG23 H 1 0.820 0.000 . 1 . . . . . . . . 5235 1 443 . 1 1 49 49 ILE CG2 C 13 17.740 0.000 . 1 . . . . . . . . 5235 1 444 . 1 1 49 49 ILE CG1 C 13 28.130 0.000 . 1 . . . . . . . . 5235 1 445 . 1 1 49 49 ILE HG12 H 1 1.450 0.000 . 1 . . . . . . . . 5235 1 446 . 1 1 49 49 ILE HG13 H 1 1.450 0.000 . 1 . . . . . . . . 5235 1 447 . 1 1 49 49 ILE HD11 H 1 0.690 0.000 . 1 . . . . . . . . 5235 1 448 . 1 1 49 49 ILE HD12 H 1 0.690 0.000 . 1 . . . . . . . . 5235 1 449 . 1 1 49 49 ILE HD13 H 1 0.690 0.000 . 1 . . . . . . . . 5235 1 450 . 1 1 49 49 ILE CD1 C 13 15.000 0.000 . 1 . . . . . . . . 5235 1 451 . 1 1 49 49 ILE C C 13 173.410 0.000 . 1 . . . . . . . . 5235 1 452 . 1 1 50 50 ASP N N 15 128.908 0.000 . 1 . . . . . . . . 5235 1 453 . 1 1 50 50 ASP H H 1 9.555 0.000 . 1 . . . . . . . . 5235 1 454 . 1 1 50 50 ASP CA C 13 52.520 0.038 . 1 . . . . . . . . 5235 1 455 . 1 1 50 50 ASP HA H 1 4.850 0.000 . 1 . . . . . . . . 5235 1 456 . 1 1 50 50 ASP CB C 13 41.956 0.000 . 1 . . . . . . . . 5235 1 457 . 1 1 50 50 ASP HB2 H 1 3.100 0.000 . 2 . . . . . . . . 5235 1 458 . 1 1 50 50 ASP HB3 H 1 2.440 0.000 . 2 . . . . . . . . 5235 1 459 . 1 1 50 50 ASP C C 13 174.110 0.000 . 1 . . . . . . . . 5235 1 460 . 1 1 51 51 PHE N N 15 122.158 0.000 . 1 . . . . . . . . 5235 1 461 . 1 1 51 51 PHE H H 1 7.645 0.000 . 1 . . . . . . . . 5235 1 462 . 1 1 51 51 PHE CA C 13 58.782 0.000 . 1 . . . . . . . . 5235 1 463 . 1 1 51 51 PHE HA H 1 4.890 0.000 . 1 . . . . . . . . 5235 1 464 . 1 1 51 51 PHE CB C 13 42.225 0.038 . 1 . . . . . . . . 5235 1 465 . 1 1 51 51 PHE HB2 H 1 3.380 0.000 . 2 . . . . . . . . 5235 1 466 . 1 1 51 51 PHE HB3 H 1 2.350 0.000 . 2 . . . . . . . . 5235 1 467 . 1 1 51 51 PHE HD1 H 1 7.070 0.000 . 3 . . . . . . . . 5235 1 468 . 1 1 51 51 PHE HE1 H 1 7.030 0.000 . 3 . . . . . . . . 5235 1 469 . 1 1 51 51 PHE HZ H 1 7.170 0.000 . 1 . . . . . . . . 5235 1 470 . 1 1 51 51 PHE C C 13 172.750 0.000 . 1 . . . . . . . . 5235 1 471 . 1 1 52 52 VAL N N 15 128.158 0.000 . 1 . . . . . . . . 5235 1 472 . 1 1 52 52 VAL H H 1 7.113 0.000 . 1 . . . . . . . . 5235 1 473 . 1 1 52 52 VAL CA C 13 60.050 0.038 . 1 . . . . . . . . 5235 1 474 . 1 1 52 52 VAL HA H 1 4.030 0.000 . 1 . . . . . . . . 5235 1 475 . 1 1 52 52 VAL CB C 13 34.080 0.038 . 1 . . . . . . . . 5235 1 476 . 1 1 52 52 VAL HB H 1 1.770 0.000 . 1 . . . . . . . . 5235 1 477 . 1 1 52 52 VAL HG11 H 1 0.880 0.000 . 1 . . . . . . . . 5235 1 478 . 1 1 52 52 VAL HG12 H 1 0.880 0.000 . 1 . . . . . . . . 5235 1 479 . 1 1 52 52 VAL HG13 H 1 0.880 0.000 . 1 . . . . . . . . 5235 1 480 . 1 1 52 52 VAL HG21 H 1 0.830 0.000 . 1 . . . . . . . . 5235 1 481 . 1 1 52 52 VAL HG22 H 1 0.830 0.000 . 1 . . . . . . . . 5235 1 482 . 1 1 52 52 VAL HG23 H 1 0.830 0.000 . 1 . . . . . . . . 5235 1 483 . 1 1 52 52 VAL CG1 C 13 20.470 0.000 . 1 . . . . . . . . 5235 1 484 . 1 1 52 52 VAL CG2 C 13 20.470 0.000 . 1 . . . . . . . . 5235 1 485 . 1 1 52 52 VAL C C 13 172.600 0.000 . 1 . . . . . . . . 5235 1 486 . 1 1 53 53 ARG N N 15 123.658 0.000 . 1 . . . . . . . . 5235 1 487 . 1 1 53 53 ARG H H 1 8.014 0.000 . 1 . . . . . . . . 5235 1 488 . 1 1 53 53 ARG CA C 13 58.206 0.038 . 1 . . . . . . . . 5235 1 489 . 1 1 53 53 ARG HA H 1 3.940 0.000 . 1 . . . . . . . . 5235 1 490 . 1 1 53 53 ARG CB C 13 29.970 0.000 . 1 . . . . . . . . 5235 1 491 . 1 1 53 53 ARG HB2 H 1 1.830 0.000 . 1 . . . . . . . . 5235 1 492 . 1 1 53 53 ARG HB3 H 1 1.830 0.000 . 1 . . . . . . . . 5235 1 493 . 1 1 53 53 ARG CG C 13 27.600 0.000 . 1 . . . . . . . . 5235 1 494 . 1 1 53 53 ARG HG2 H 1 1.680 0.000 . 1 . . . . . . . . 5235 1 495 . 1 1 53 53 ARG HG3 H 1 1.680 0.000 . 1 . . . . . . . . 5235 1 496 . 1 1 53 53 ARG CD C 13 43.990 0.000 . 1 . . . . . . . . 5235 1 497 . 1 1 53 53 ARG HD2 H 1 3.270 0.000 . 1 . . . . . . . . 5235 1 498 . 1 1 53 53 ARG HD3 H 1 3.270 0.000 . 1 . . . . . . . . 5235 1 499 . 1 1 53 53 ARG C C 13 177.460 0.000 . 1 . . . . . . . . 5235 1 500 . 1 1 54 54 GLY N N 15 115.814 0.000 . 1 . . . . . . . . 5235 1 501 . 1 1 54 54 GLY H H 1 8.963 0.000 . 1 . . . . . . . . 5235 1 502 . 1 1 54 54 GLY CA C 13 45.336 0.000 . 1 . . . . . . . . 5235 1 503 . 1 1 54 54 GLY HA2 H 1 3.680 0.000 . 2 . . . . . . . . 5235 1 504 . 1 1 54 54 GLY HA3 H 1 4.350 0.000 . 2 . . . . . . . . 5235 1 505 . 1 1 54 54 GLY C C 13 174.600 0.000 . 1 . . . . . . . . 5235 1 506 . 1 1 55 55 ALA N N 15 123.150 0.000 . 1 . . . . . . . . 5235 1 507 . 1 1 55 55 ALA H H 1 8.091 0.000 . 1 . . . . . . . . 5235 1 508 . 1 1 55 55 ALA CA C 13 51.860 0.000 . 1 . . . . . . . . 5235 1 509 . 1 1 55 55 ALA HA H 1 4.460 0.000 . 1 . . . . . . . . 5235 1 510 . 1 1 55 55 ALA HB1 H 1 1.570 0.000 . 1 . . . . . . . . 5235 1 511 . 1 1 55 55 ALA HB2 H 1 1.570 0.000 . 1 . . . . . . . . 5235 1 512 . 1 1 55 55 ALA HB3 H 1 1.570 0.000 . 1 . . . . . . . . 5235 1 513 . 1 1 55 55 ALA CB C 13 20.673 0.000 . 1 . . . . . . . . 5235 1 514 . 1 1 55 55 ALA C C 13 177.230 0.000 . 1 . . . . . . . . 5235 1 515 . 1 1 56 56 LYS N N 15 115.658 0.000 . 1 . . . . . . . . 5235 1 516 . 1 1 56 56 LYS H H 1 8.710 0.000 . 1 . . . . . . . . 5235 1 517 . 1 1 56 56 LYS CA C 13 54.441 0.038 . 1 . . . . . . . . 5235 1 518 . 1 1 56 56 LYS HA H 1 4.690 0.000 . 1 . . . . . . . . 5235 1 519 . 1 1 56 56 LYS CB C 13 31.430 0.000 . 1 . . . . . . . . 5235 1 520 . 1 1 56 56 LYS HB2 H 1 1.890 0.000 . 1 . . . . . . . . 5235 1 521 . 1 1 56 56 LYS HB3 H 1 1.890 0.000 . 1 . . . . . . . . 5235 1 522 . 1 1 56 56 LYS CG C 13 24.850 0.000 . 1 . . . . . . . . 5235 1 523 . 1 1 56 56 LYS HG2 H 1 1.690 0.000 . 1 . . . . . . . . 5235 1 524 . 1 1 56 56 LYS HG3 H 1 1.690 0.000 . 1 . . . . . . . . 5235 1 525 . 1 1 56 56 LYS CD C 13 31.410 0.000 . 1 . . . . . . . . 5235 1 526 . 1 1 56 56 LYS HD2 H 1 2.830 0.000 . 1 . . . . . . . . 5235 1 527 . 1 1 56 56 LYS HD3 H 1 2.830 0.000 . 1 . . . . . . . . 5235 1 528 . 1 1 56 56 LYS CE C 13 43.440 0.000 . 1 . . . . . . . . 5235 1 529 . 1 1 56 56 LYS HE2 H 1 3.160 0.000 . 1 . . . . . . . . 5235 1 530 . 1 1 56 56 LYS HE3 H 1 3.160 0.000 . 1 . . . . . . . . 5235 1 531 . 1 1 56 56 LYS C C 13 175.010 0.000 . 1 . . . . . . . . 5235 1 532 . 1 1 57 57 GLU N N 15 113.658 0.000 . 1 . . . . . . . . 5235 1 533 . 1 1 57 57 GLU H H 1 7.543 0.000 . 1 . . . . . . . . 5235 1 534 . 1 1 57 57 GLU CA C 13 53.942 0.000 . 1 . . . . . . . . 5235 1 535 . 1 1 57 57 GLU HA H 1 5.130 0.000 . 1 . . . . . . . . 5235 1 536 . 1 1 57 57 GLU CB C 13 33.197 0.000 . 1 . . . . . . . . 5235 1 537 . 1 1 57 57 GLU HB2 H 1 2.100 0.000 . 2 . . . . . . . . 5235 1 538 . 1 1 57 57 GLU HB3 H 1 1.860 0.000 . 2 . . . . . . . . 5235 1 539 . 1 1 57 57 GLU CG C 13 34.900 0.000 . 1 . . . . . . . . 5235 1 540 . 1 1 57 57 GLU HG2 H 1 1.830 0.000 . 1 . . . . . . . . 5235 1 541 . 1 1 57 57 GLU HG3 H 1 1.830 0.000 . 1 . . . . . . . . 5235 1 542 . 1 1 57 57 GLU C C 13 173.520 0.000 . 1 . . . . . . . . 5235 1 543 . 1 1 58 58 GLY N N 15 106.841 0.000 . 1 . . . . . . . . 5235 1 544 . 1 1 58 58 GLY H H 1 7.636 0.000 . 1 . . . . . . . . 5235 1 545 . 1 1 58 58 GLY CA C 13 45.759 0.038 . 1 . . . . . . . . 5235 1 546 . 1 1 58 58 GLY HA2 H 1 3.450 0.000 . 2 . . . . . . . . 5235 1 547 . 1 1 58 58 GLY HA3 H 1 4.450 0.000 . 2 . . . . . . . . 5235 1 548 . 1 1 58 58 GLY C C 13 170.500 0.000 . 1 . . . . . . . . 5235 1 549 . 1 1 59 59 ILE N N 15 116.908 0.000 . 1 . . . . . . . . 5235 1 550 . 1 1 59 59 ILE H H 1 8.414 0.003 . 1 . . . . . . . . 5235 1 551 . 1 1 59 59 ILE CA C 13 60.050 0.038 . 1 . . . . . . . . 5235 1 552 . 1 1 59 59 ILE HA H 1 5.090 0.000 . 1 . . . . . . . . 5235 1 553 . 1 1 59 59 ILE CB C 13 42.916 0.038 . 1 . . . . . . . . 5235 1 554 . 1 1 59 59 ILE HB H 1 1.780 0.000 . 1 . . . . . . . . 5235 1 555 . 1 1 59 59 ILE HG21 H 1 0.850 0.000 . 1 . . . . . . . . 5235 1 556 . 1 1 59 59 ILE HG22 H 1 0.850 0.000 . 1 . . . . . . . . 5235 1 557 . 1 1 59 59 ILE HG23 H 1 0.850 0.000 . 1 . . . . . . . . 5235 1 558 . 1 1 59 59 ILE CG2 C 13 20.500 0.000 . 1 . . . . . . . . 5235 1 559 . 1 1 59 59 ILE CG1 C 13 28.130 0.000 . 1 . . . . . . . . 5235 1 560 . 1 1 59 59 ILE HG12 H 1 0.960 0.000 . 2 . . . . . . . . 5235 1 561 . 1 1 59 59 ILE HG13 H 1 1.690 0.000 . 2 . . . . . . . . 5235 1 562 . 1 1 59 59 ILE HD11 H 1 0.900 0.000 . 1 . . . . . . . . 5235 1 563 . 1 1 59 59 ILE HD12 H 1 0.900 0.000 . 1 . . . . . . . . 5235 1 564 . 1 1 59 59 ILE HD13 H 1 0.900 0.000 . 1 . . . . . . . . 5235 1 565 . 1 1 59 59 ILE CD1 C 13 13.900 0.000 . 1 . . . . . . . . 5235 1 566 . 1 1 59 59 ILE C C 13 174.180 0.000 . 1 . . . . . . . . 5235 1 567 . 1 1 60 60 ILE N N 15 126.658 0.000 . 1 . . . . . . . . 5235 1 568 . 1 1 60 60 ILE H H 1 9.658 0.000 . 1 . . . . . . . . 5235 1 569 . 1 1 60 60 ILE CA C 13 60.558 0.038 . 1 . . . . . . . . 5235 1 570 . 1 1 60 60 ILE HA H 1 4.380 0.000 . 1 . . . . . . . . 5235 1 571 . 1 1 60 60 ILE CB C 13 41.725 0.000 . 1 . . . . . . . . 5235 1 572 . 1 1 60 60 ILE HB H 1 1.560 0.000 . 1 . . . . . . . . 5235 1 573 . 1 1 60 60 ILE HG21 H 1 -0.140 0.000 . 1 . . . . . . . . 5235 1 574 . 1 1 60 60 ILE HG22 H 1 -0.140 0.000 . 1 . . . . . . . . 5235 1 575 . 1 1 60 60 ILE HG23 H 1 -0.140 0.000 . 1 . . . . . . . . 5235 1 576 . 1 1 60 60 ILE CG2 C 13 18.830 0.000 . 1 . . . . . . . . 5235 1 577 . 1 1 60 60 ILE CG1 C 13 28.130 0.000 . 1 . . . . . . . . 5235 1 578 . 1 1 60 60 ILE HG12 H 1 0.750 0.000 . 1 . . . . . . . . 5235 1 579 . 1 1 60 60 ILE HG13 H 1 0.750 0.000 . 1 . . . . . . . . 5235 1 580 . 1 1 60 60 ILE HD11 H 1 0.680 0.000 . 1 . . . . . . . . 5235 1 581 . 1 1 60 60 ILE HD12 H 1 0.680 0.000 . 1 . . . . . . . . 5235 1 582 . 1 1 60 60 ILE HD13 H 1 0.680 0.000 . 1 . . . . . . . . 5235 1 583 . 1 1 60 60 ILE CD1 C 13 15.000 0.000 . 1 . . . . . . . . 5235 1 584 . 1 1 60 60 ILE C C 13 173.560 0.000 . 1 . . . . . . . . 5235 1 585 . 1 1 61 61 LEU N N 15 126.907 0.000 . 1 . . . . . . . . 5235 1 586 . 1 1 61 61 LEU H H 1 8.913 0.000 . 1 . . . . . . . . 5235 1 587 . 1 1 61 61 LEU CA C 13 53.519 0.038 . 1 . . . . . . . . 5235 1 588 . 1 1 61 61 LEU HA H 1 5.200 0.000 . 1 . . . . . . . . 5235 1 589 . 1 1 61 61 LEU CB C 13 44.568 0.000 . 1 . . . . . . . . 5235 1 590 . 1 1 61 61 LEU HB2 H 1 2.070 0.000 . 2 . . . . . . . . 5235 1 591 . 1 1 61 61 LEU HB3 H 1 1.180 0.000 . 2 . . . . . . . . 5235 1 592 . 1 1 61 61 LEU CG C 13 27.580 0.000 . 1 . . . . . . . . 5235 1 593 . 1 1 61 61 LEU HG H 1 1.420 0.000 . 1 . . . . . . . . 5235 1 594 . 1 1 61 61 LEU HD11 H 1 0.970 0.000 . 2 . . . . . . . . 5235 1 595 . 1 1 61 61 LEU HD12 H 1 0.970 0.000 . 2 . . . . . . . . 5235 1 596 . 1 1 61 61 LEU HD13 H 1 0.970 0.000 . 2 . . . . . . . . 5235 1 597 . 1 1 61 61 LEU HD21 H 1 0.780 0.000 . 2 . . . . . . . . 5235 1 598 . 1 1 61 61 LEU HD22 H 1 0.780 0.000 . 2 . . . . . . . . 5235 1 599 . 1 1 61 61 LEU HD23 H 1 0.780 0.000 . 2 . . . . . . . . 5235 1 600 . 1 1 61 61 LEU CD1 C 13 24.300 0.000 . 1 . . . . . . . . 5235 1 601 . 1 1 61 61 LEU CD2 C 13 26.490 0.000 . 1 . . . . . . . . 5235 1 602 . 1 1 61 61 LEU C C 13 175.680 0.000 . 1 . . . . . . . . 5235 1 603 . 1 1 62 62 PHE N N 15 127.908 0.000 . 1 . . . . . . . . 5235 1 604 . 1 1 62 62 PHE H H 1 9.375 0.000 . 1 . . . . . . . . 5235 1 605 . 1 1 62 62 PHE CA C 13 57.976 0.038 . 1 . . . . . . . . 5235 1 606 . 1 1 62 62 PHE HA H 1 5.170 0.000 . 1 . . . . . . . . 5235 1 607 . 1 1 62 62 PHE CB C 13 41.917 0.038 . 1 . . . . . . . . 5235 1 608 . 1 1 62 62 PHE HB2 H 1 2.950 0.000 . 2 . . . . . . . . 5235 1 609 . 1 1 62 62 PHE HB3 H 1 3.340 0.000 . 2 . . . . . . . . 5235 1 610 . 1 1 62 62 PHE HD1 H 1 6.970 0.000 . 1 . . . . . . . . 5235 1 611 . 1 1 62 62 PHE HE1 H 1 6.670 0.000 . 1 . . . . . . . . 5235 1 612 . 1 1 62 62 PHE HZ H 1 6.710 0.000 . 1 . . . . . . . . 5235 1 613 . 1 1 62 62 PHE HE2 H 1 6.670 0.000 . 1 . . . . . . . . 5235 1 614 . 1 1 62 62 PHE HD2 H 1 6.970 0.000 . 1 . . . . . . . . 5235 1 615 . 1 1 62 62 PHE C C 13 175.600 0.000 . 1 . . . . . . . . 5235 1 616 . 1 1 63 63 LYS N N 15 119.658 0.000 . 1 . . . . . . . . 5235 1 617 . 1 1 63 63 LYS H H 1 8.797 0.000 . 1 . . . . . . . . 5235 1 618 . 1 1 63 63 LYS CA C 13 59.282 0.038 . 1 . . . . . . . . 5235 1 619 . 1 1 63 63 LYS HA H 1 4.020 0.000 . 1 . . . . . . . . 5235 1 620 . 1 1 63 63 LYS CB C 13 34.272 0.000 . 1 . . . . . . . . 5235 1 621 . 1 1 63 63 LYS HB2 H 1 1.750 0.000 . 1 . . . . . . . . 5235 1 622 . 1 1 63 63 LYS HB3 H 1 1.750 0.000 . 1 . . . . . . . . 5235 1 623 . 1 1 63 63 LYS CG C 13 25.900 0.000 . 1 . . . . . . . . 5235 1 624 . 1 1 63 63 LYS HG2 H 1 1.420 0.000 . 1 . . . . . . . . 5235 1 625 . 1 1 63 63 LYS HG3 H 1 1.420 0.000 . 1 . . . . . . . . 5235 1 626 . 1 1 63 63 LYS CD C 13 29.770 0.000 . 1 . . . . . . . . 5235 1 627 . 1 1 63 63 LYS HD2 H 1 1.710 0.000 . 1 . . . . . . . . 5235 1 628 . 1 1 63 63 LYS HD3 H 1 1.710 0.000 . 1 . . . . . . . . 5235 1 629 . 1 1 63 63 LYS CE C 13 42.350 0.000 . 1 . . . . . . . . 5235 1 630 . 1 1 63 63 LYS HE2 H 1 3.010 0.000 . 1 . . . . . . . . 5235 1 631 . 1 1 63 63 LYS HE3 H 1 3.010 0.000 . 1 . . . . . . . . 5235 1 632 . 1 1 63 63 LYS C C 13 176.370 0.000 . 1 . . . . . . . . 5235 1 633 . 1 1 64 64 GLU N N 15 114.408 0.000 . 1 . . . . . . . . 5235 1 634 . 1 1 64 64 GLU H H 1 8.214 0.000 . 1 . . . . . . . . 5235 1 635 . 1 1 64 64 GLU CA C 13 55.094 0.000 . 1 . . . . . . . . 5235 1 636 . 1 1 64 64 GLU HA H 1 4.650 0.000 . 1 . . . . . . . . 5235 1 637 . 1 1 64 64 GLU CB C 13 30.661 0.000 . 1 . . . . . . . . 5235 1 638 . 1 1 64 64 GLU HB2 H 1 1.950 0.000 . 2 . . . . . . . . 5235 1 639 . 1 1 64 64 GLU HB3 H 1 2.270 0.000 . 2 . . . . . . . . 5235 1 640 . 1 1 64 64 GLU CG C 13 29.200 0.000 . 1 . . . . . . . . 5235 1 641 . 1 1 64 64 GLU HG2 H 1 2.150 0.000 . 1 . . . . . . . . 5235 1 642 . 1 1 64 64 GLU HG3 H 1 2.150 0.000 . 1 . . . . . . . . 5235 1 643 . 1 1 64 64 GLU C C 13 174.070 0.000 . 1 . . . . . . . . 5235 1 644 . 1 1 65 65 LYS N N 15 113.434 0.025 . 1 . . . . . . . . 5235 1 645 . 1 1 65 65 LYS H H 1 8.095 0.001 . 1 . . . . . . . . 5235 1 646 . 1 1 65 65 LYS CA C 13 56.746 0.038 . 1 . . . . . . . . 5235 1 647 . 1 1 65 65 LYS HA H 1 4.080 0.000 . 1 . . . . . . . . 5235 1 648 . 1 1 65 65 LYS CB C 13 31.810 0.000 . 1 . . . . . . . . 5235 1 649 . 1 1 65 65 LYS HB2 H 1 2.050 0.000 . 2 . . . . . . . . 5235 1 650 . 1 1 65 65 LYS HB3 H 1 1.810 0.000 . 2 . . . . . . . . 5235 1 651 . 1 1 65 65 LYS CG C 13 25.400 0.000 . 1 . . . . . . . . 5235 1 652 . 1 1 65 65 LYS HG2 H 1 1.560 0.000 . 1 . . . . . . . . 5235 1 653 . 1 1 65 65 LYS HG3 H 1 1.560 0.000 . 1 . . . . . . . . 5235 1 654 . 1 1 65 65 LYS CD C 13 29.220 0.000 . 1 . . . . . . . . 5235 1 655 . 1 1 65 65 LYS HD2 H 1 1.780 0.000 . 1 . . . . . . . . 5235 1 656 . 1 1 65 65 LYS HD3 H 1 1.780 0.000 . 1 . . . . . . . . 5235 1 657 . 1 1 65 65 LYS CE C 13 42.890 0.000 . 1 . . . . . . . . 5235 1 658 . 1 1 65 65 LYS HE2 H 1 3.060 0.000 . 1 . . . . . . . . 5235 1 659 . 1 1 65 65 LYS HE3 H 1 3.060 0.000 . 1 . . . . . . . . 5235 1 660 . 1 1 65 65 LYS C C 13 178.550 0.000 . 1 . . . . . . . . 5235 1 661 . 1 1 66 66 ALA N N 15 125.851 0.000 . 1 . . . . . . . . 5235 1 662 . 1 1 66 66 ALA H H 1 9.283 0.000 . 1 . . . . . . . . 5235 1 663 . 1 1 66 66 ALA CA C 13 54.710 0.000 . 1 . . . . . . . . 5235 1 664 . 1 1 66 66 ALA HA H 1 3.540 0.000 . 1 . . . . . . . . 5235 1 665 . 1 1 66 66 ALA HB1 H 1 1.360 0.000 . 1 . . . . . . . . 5235 1 666 . 1 1 66 66 ALA HB2 H 1 1.360 0.000 . 1 . . . . . . . . 5235 1 667 . 1 1 66 66 ALA HB3 H 1 1.360 0.000 . 1 . . . . . . . . 5235 1 668 . 1 1 66 66 ALA CB C 13 19.444 0.000 . 1 . . . . . . . . 5235 1 669 . 1 1 66 66 ALA C C 13 178.800 0.000 . 1 . . . . . . . . 5235 1 670 . 1 1 67 67 LYS N N 15 115.658 0.000 . 1 . . . . . . . . 5235 1 671 . 1 1 67 67 LYS H H 1 9.176 0.000 . 1 . . . . . . . . 5235 1 672 . 1 1 67 67 LYS CA C 13 59.666 0.038 . 1 . . . . . . . . 5235 1 673 . 1 1 67 67 LYS HA H 1 3.810 0.000 . 1 . . . . . . . . 5235 1 674 . 1 1 67 67 LYS CB C 13 32.313 0.038 . 1 . . . . . . . . 5235 1 675 . 1 1 67 67 LYS HB2 H 1 1.920 0.000 . 1 . . . . . . . . 5235 1 676 . 1 1 67 67 LYS HB3 H 1 1.920 0.000 . 1 . . . . . . . . 5235 1 677 . 1 1 67 67 LYS CG C 13 26.500 0.000 . 1 . . . . . . . . 5235 1 678 . 1 1 67 67 LYS HG2 H 1 1.650 0.000 . 2 . . . . . . . . 5235 1 679 . 1 1 67 67 LYS HG3 H 1 1.460 0.000 . 2 . . . . . . . . 5235 1 680 . 1 1 67 67 LYS CD C 13 28.680 0.000 . 1 . . . . . . . . 5235 1 681 . 1 1 67 67 LYS HD2 H 1 1.720 0.000 . 1 . . . . . . . . 5235 1 682 . 1 1 67 67 LYS HD3 H 1 1.720 0.000 . 1 . . . . . . . . 5235 1 683 . 1 1 67 67 LYS CE C 13 43.440 0.000 . 1 . . . . . . . . 5235 1 684 . 1 1 67 67 LYS HE2 H 1 3.260 0.000 . 1 . . . . . . . . 5235 1 685 . 1 1 67 67 LYS HE3 H 1 3.260 0.000 . 1 . . . . . . . . 5235 1 686 . 1 1 67 67 LYS C C 13 179.100 0.000 . 1 . . . . . . . . 5235 1 687 . 1 1 68 68 GLU N N 15 119.908 0.000 . 1 . . . . . . . . 5235 1 688 . 1 1 68 68 GLU H H 1 7.305 0.000 . 1 . . . . . . . . 5235 1 689 . 1 1 68 68 GLU CA C 13 58.705 0.077 . 1 . . . . . . . . 5235 1 690 . 1 1 68 68 GLU HA H 1 4.090 0.000 . 1 . . . . . . . . 5235 1 691 . 1 1 68 68 GLU CB C 13 29.355 0.000 . 1 . . . . . . . . 5235 1 692 . 1 1 68 68 GLU HB2 H 1 2.080 0.000 . 1 . . . . . . . . 5235 1 693 . 1 1 68 68 GLU HB3 H 1 2.080 0.000 . 1 . . . . . . . . 5235 1 694 . 1 1 68 68 GLU CG C 13 37.430 0.000 . 1 . . . . . . . . 5235 1 695 . 1 1 68 68 GLU HG2 H 1 2.280 0.000 . 1 . . . . . . . . 5235 1 696 . 1 1 68 68 GLU HG3 H 1 2.280 0.000 . 1 . . . . . . . . 5235 1 697 . 1 1 68 68 GLU C C 13 178.120 0.000 . 1 . . . . . . . . 5235 1 698 . 1 1 69 69 ALA N N 15 122.908 0.000 . 1 . . . . . . . . 5235 1 699 . 1 1 69 69 ALA H H 1 7.097 0.000 . 1 . . . . . . . . 5235 1 700 . 1 1 69 69 ALA CA C 13 55.017 0.077 . 1 . . . . . . . . 5235 1 701 . 1 1 69 69 ALA HA H 1 4.030 0.000 . 1 . . . . . . . . 5235 1 702 . 1 1 69 69 ALA HB1 H 1 0.500 0.000 . 1 . . . . . . . . 5235 1 703 . 1 1 69 69 ALA HB2 H 1 0.500 0.000 . 1 . . . . . . . . 5235 1 704 . 1 1 69 69 ALA HB3 H 1 0.500 0.000 . 1 . . . . . . . . 5235 1 705 . 1 1 69 69 ALA CB C 13 17.484 0.038 . 1 . . . . . . . . 5235 1 706 . 1 1 69 69 ALA C C 13 179.100 0.000 . 1 . . . . . . . . 5235 1 707 . 1 1 70 70 LEU N N 15 116.158 0.000 . 1 . . . . . . . . 5235 1 708 . 1 1 70 70 LEU H H 1 8.201 0.000 . 1 . . . . . . . . 5235 1 709 . 1 1 70 70 LEU CA C 13 57.860 0.000 . 1 . . . . . . . . 5235 1 710 . 1 1 70 70 LEU HA H 1 3.810 0.000 . 1 . . . . . . . . 5235 1 711 . 1 1 70 70 LEU CB C 13 41.917 0.038 . 1 . . . . . . . . 5235 1 712 . 1 1 70 70 LEU HB2 H 1 1.770 0.000 . 1 . . . . . . . . 5235 1 713 . 1 1 70 70 LEU HB3 H 1 1.770 0.000 . 1 . . . . . . . . 5235 1 714 . 1 1 70 70 LEU CG C 13 25.030 0.000 . 1 . . . . . . . . 5235 1 715 . 1 1 70 70 LEU HG H 1 1.340 0.000 . 1 . . . . . . . . 5235 1 716 . 1 1 70 70 LEU HD11 H 1 0.880 0.000 . 2 . . . . . . . . 5235 1 717 . 1 1 70 70 LEU HD12 H 1 0.880 0.000 . 2 . . . . . . . . 5235 1 718 . 1 1 70 70 LEU HD13 H 1 0.880 0.000 . 2 . . . . . . . . 5235 1 719 . 1 1 70 70 LEU HD21 H 1 0.470 0.000 . 2 . . . . . . . . 5235 1 720 . 1 1 70 70 LEU HD22 H 1 0.470 0.000 . 2 . . . . . . . . 5235 1 721 . 1 1 70 70 LEU HD23 H 1 0.470 0.000 . 2 . . . . . . . . 5235 1 722 . 1 1 70 70 LEU CD1 C 13 23.940 0.000 . 1 . . . . . . . . 5235 1 723 . 1 1 70 70 LEU CD2 C 13 19.110 0.000 . 1 . . . . . . . . 5235 1 724 . 1 1 70 70 LEU C C 13 178.020 0.000 . 1 . . . . . . . . 5235 1 725 . 1 1 71 71 GLY N N 15 104.909 0.000 . 1 . . . . . . . . 5235 1 726 . 1 1 71 71 GLY H H 1 7.874 0.000 . 1 . . . . . . . . 5235 1 727 . 1 1 71 71 GLY CA C 13 47.334 0.000 . 1 . . . . . . . . 5235 1 728 . 1 1 71 71 GLY HA2 H 1 3.610 0.000 . 2 . . . . . . . . 5235 1 729 . 1 1 71 71 GLY HA3 H 1 3.850 0.000 . 2 . . . . . . . . 5235 1 730 . 1 1 71 71 GLY C C 13 176.700 0.000 . 1 . . . . . . . . 5235 1 731 . 1 1 72 72 LYS N N 15 121.158 0.000 . 1 . . . . . . . . 5235 1 732 . 1 1 72 72 LYS H H 1 7.987 0.000 . 1 . . . . . . . . 5235 1 733 . 1 1 72 72 LYS CA C 13 59.666 0.038 . 1 . . . . . . . . 5235 1 734 . 1 1 72 72 LYS HA H 1 3.550 0.000 . 1 . . . . . . . . 5235 1 735 . 1 1 72 72 LYS CB C 13 32.659 0.077 . 1 . . . . . . . . 5235 1 736 . 1 1 72 72 LYS HB2 H 1 1.700 0.000 . 2 . . . . . . . . 5235 1 737 . 1 1 72 72 LYS HB3 H 1 1.260 0.000 . 2 . . . . . . . . 5235 1 738 . 1 1 72 72 LYS CG C 13 28.130 0.000 . 1 . . . . . . . . 5235 1 739 . 1 1 72 72 LYS HG2 H 1 1.530 0.000 . 1 . . . . . . . . 5235 1 740 . 1 1 72 72 LYS HG3 H 1 1.530 0.000 . 1 . . . . . . . . 5235 1 741 . 1 1 72 72 LYS C C 13 179.240 0.000 . 1 . . . . . . . . 5235 1 742 . 1 1 73 73 ALA N N 15 122.158 0.000 . 1 . . . . . . . . 5235 1 743 . 1 1 73 73 ALA H H 1 7.955 0.000 . 1 . . . . . . . . 5235 1 744 . 1 1 73 73 ALA CA C 13 54.672 0.038 . 1 . . . . . . . . 5235 1 745 . 1 1 73 73 ALA HA H 1 2.820 0.000 . 1 . . . . . . . . 5235 1 746 . 1 1 73 73 ALA HB1 H 1 0.890 0.000 . 1 . . . . . . . . 5235 1 747 . 1 1 73 73 ALA HB2 H 1 0.890 0.000 . 1 . . . . . . . . 5235 1 748 . 1 1 73 73 ALA HB3 H 1 0.890 0.000 . 1 . . . . . . . . 5235 1 749 . 1 1 73 73 ALA CB C 13 19.213 0.000 . 1 . . . . . . . . 5235 1 750 . 1 1 73 73 ALA C C 13 180.200 0.000 . 1 . . . . . . . . 5235 1 751 . 1 1 74 74 LYS N N 15 119.658 0.000 . 1 . . . . . . . . 5235 1 752 . 1 1 74 74 LYS H H 1 8.716 0.001 . 1 . . . . . . . . 5235 1 753 . 1 1 74 74 LYS CA C 13 61.279 0.038 . 1 . . . . . . . . 5235 1 754 . 1 1 74 74 LYS HA H 1 3.500 0.000 . 1 . . . . . . . . 5235 1 755 . 1 1 74 74 LYS CB C 13 32.428 0.000 . 1 . . . . . . . . 5235 1 756 . 1 1 74 74 LYS HB2 H 1 1.800 0.000 . 2 . . . . . . . . 5235 1 757 . 1 1 74 74 LYS HB3 H 1 1.720 0.000 . 2 . . . . . . . . 5235 1 758 . 1 1 74 74 LYS CG C 13 27.030 0.000 . 1 . . . . . . . . 5235 1 759 . 1 1 74 74 LYS HG2 H 1 1.120 0.000 . 2 . . . . . . . . 5235 1 760 . 1 1 74 74 LYS HG3 H 1 1.390 0.000 . 2 . . . . . . . . 5235 1 761 . 1 1 74 74 LYS CD C 13 30.320 0.000 . 1 . . . . . . . . 5235 1 762 . 1 1 74 74 LYS HD2 H 1 1.620 0.000 . 1 . . . . . . . . 5235 1 763 . 1 1 74 74 LYS HD3 H 1 1.620 0.000 . 1 . . . . . . . . 5235 1 764 . 1 1 74 74 LYS CE C 13 41.800 0.000 . 1 . . . . . . . . 5235 1 765 . 1 1 74 74 LYS HE2 H 1 2.830 0.000 . 2 . . . . . . . . 5235 1 766 . 1 1 74 74 LYS HE3 H 1 2.980 0.000 . 2 . . . . . . . . 5235 1 767 . 1 1 74 74 LYS C C 13 179.700 0.000 . 1 . . . . . . . . 5235 1 768 . 1 1 75 75 ASP N N 15 120.908 0.000 . 1 . . . . . . . . 5235 1 769 . 1 1 75 75 ASP H H 1 8.181 0.000 . 1 . . . . . . . . 5235 1 770 . 1 1 75 75 ASP CA C 13 57.246 0.000 . 1 . . . . . . . . 5235 1 771 . 1 1 75 75 ASP HA H 1 4.300 0.000 . 1 . . . . . . . . 5235 1 772 . 1 1 75 75 ASP CB C 13 40.227 0.038 . 1 . . . . . . . . 5235 1 773 . 1 1 75 75 ASP HB2 H 1 2.620 0.000 . 2 . . . . . . . . 5235 1 774 . 1 1 75 75 ASP HB3 H 1 2.720 0.000 . 2 . . . . . . . . 5235 1 775 . 1 1 75 75 ASP C C 13 179.060 0.000 . 1 . . . . . . . . 5235 1 776 . 1 1 76 76 ALA N N 15 120.908 0.000 . 1 . . . . . . . . 5235 1 777 . 1 1 76 76 ALA H H 1 7.612 0.000 . 1 . . . . . . . . 5235 1 778 . 1 1 76 76 ALA CA C 13 53.596 0.038 . 1 . . . . . . . . 5235 1 779 . 1 1 76 76 ALA HA H 1 4.280 0.000 . 1 . . . . . . . . 5235 1 780 . 1 1 76 76 ALA HB1 H 1 1.400 0.000 . 1 . . . . . . . . 5235 1 781 . 1 1 76 76 ALA HB2 H 1 1.400 0.000 . 1 . . . . . . . . 5235 1 782 . 1 1 76 76 ALA HB3 H 1 1.400 0.000 . 1 . . . . . . . . 5235 1 783 . 1 1 76 76 ALA CB C 13 19.444 0.000 . 1 . . . . . . . . 5235 1 784 . 1 1 76 76 ALA C C 13 177.490 0.000 . 1 . . . . . . . . 5235 1 785 . 1 1 77 77 ASN N N 15 116.658 0.000 . 1 . . . . . . . . 5235 1 786 . 1 1 77 77 ASN H H 1 7.437 0.001 . 1 . . . . . . . . 5235 1 787 . 1 1 77 77 ASN CA C 13 53.097 0.000 . 1 . . . . . . . . 5235 1 788 . 1 1 77 77 ASN HA H 1 4.890 0.000 . 1 . . . . . . . . 5235 1 789 . 1 1 77 77 ASN CB C 13 39.997 0.038 . 1 . . . . . . . . 5235 1 790 . 1 1 77 77 ASN HB2 H 1 2.260 0.000 . 2 . . . . . . . . 5235 1 791 . 1 1 77 77 ASN HB3 H 1 3.110 0.000 . 2 . . . . . . . . 5235 1 792 . 1 1 77 77 ASN C C 13 174.400 0.000 . 1 . . . . . . . . 5235 1 793 . 1 1 78 78 ASN N N 15 115.908 0.000 . 1 . . . . . . . . 5235 1 794 . 1 1 78 78 ASN H H 1 8.167 0.000 . 1 . . . . . . . . 5235 1 795 . 1 1 78 78 ASN CA C 13 54.633 0.000 . 1 . . . . . . . . 5235 1 796 . 1 1 78 78 ASN HA H 1 4.500 0.000 . 1 . . . . . . . . 5235 1 797 . 1 1 78 78 ASN CB C 13 37.423 0.000 . 1 . . . . . . . . 5235 1 798 . 1 1 78 78 ASN HB2 H 1 2.790 0.000 . 2 . . . . . . . . 5235 1 799 . 1 1 78 78 ASN HB3 H 1 3.110 0.000 . 2 . . . . . . . . 5235 1 800 . 1 1 78 78 ASN C C 13 175.070 0.000 . 1 . . . . . . . . 5235 1 801 . 1 1 79 79 GLY N N 15 103.909 0.000 . 1 . . . . . . . . 5235 1 802 . 1 1 79 79 GLY H H 1 8.581 0.000 . 1 . . . . . . . . 5235 1 803 . 1 1 79 79 GLY CA C 13 45.644 0.000 . 1 . . . . . . . . 5235 1 804 . 1 1 79 79 GLY HA2 H 1 3.510 0.000 . 2 . . . . . . . . 5235 1 805 . 1 1 79 79 GLY HA3 H 1 4.250 0.000 . 2 . . . . . . . . 5235 1 806 . 1 1 79 79 GLY C C 13 178.400 0.000 . 1 . . . . . . . . 5235 1 807 . 1 1 80 80 ASN N N 15 119.908 0.000 . 1 . . . . . . . . 5235 1 808 . 1 1 80 80 ASN H H 1 7.587 0.000 . 1 . . . . . . . . 5235 1 809 . 1 1 80 80 ASN CA C 13 52.175 0.000 . 1 . . . . . . . . 5235 1 810 . 1 1 80 80 ASN HA H 1 4.930 0.000 . 1 . . . . . . . . 5235 1 811 . 1 1 80 80 ASN CB C 13 39.766 0.038 . 1 . . . . . . . . 5235 1 812 . 1 1 80 80 ASN HB2 H 1 2.660 0.000 . 2 . . . . . . . . 5235 1 813 . 1 1 80 80 ASN HB3 H 1 2.900 0.000 . 2 . . . . . . . . 5235 1 814 . 1 1 80 80 ASN C C 13 172.530 0.000 . 1 . . . . . . . . 5235 1 815 . 1 1 81 81 LEU N N 15 125.671 0.000 . 1 . . . . . . . . 5235 1 816 . 1 1 81 81 LEU H H 1 8.793 0.000 . 1 . . . . . . . . 5235 1 817 . 1 1 81 81 LEU CA C 13 53.903 0.038 . 1 . . . . . . . . 5235 1 818 . 1 1 81 81 LEU HA H 1 4.500 0.000 . 1 . . . . . . . . 5235 1 819 . 1 1 81 81 LEU CB C 13 43.492 0.000 . 1 . . . . . . . . 5235 1 820 . 1 1 81 81 LEU HB2 H 1 1.810 0.000 . 2 . . . . . . . . 5235 1 821 . 1 1 81 81 LEU HB3 H 1 0.850 0.000 . 2 . . . . . . . . 5235 1 822 . 1 1 81 81 LEU CG C 13 26.490 0.000 . 1 . . . . . . . . 5235 1 823 . 1 1 81 81 LEU HG H 1 1.110 0.000 . 1 . . . . . . . . 5235 1 824 . 1 1 81 81 LEU HD11 H 1 -0.260 0.000 . 2 . . . . . . . . 5235 1 825 . 1 1 81 81 LEU HD12 H 1 -0.260 0.000 . 2 . . . . . . . . 5235 1 826 . 1 1 81 81 LEU HD13 H 1 -0.260 0.000 . 2 . . . . . . . . 5235 1 827 . 1 1 81 81 LEU HD21 H 1 0.320 0.000 . 2 . . . . . . . . 5235 1 828 . 1 1 81 81 LEU HD22 H 1 0.320 0.000 . 2 . . . . . . . . 5235 1 829 . 1 1 81 81 LEU HD23 H 1 0.320 0.000 . 2 . . . . . . . . 5235 1 830 . 1 1 81 81 LEU CD1 C 13 25.390 0.000 . 1 . . . . . . . . 5235 1 831 . 1 1 81 81 LEU CD2 C 13 25.390 0.000 . 1 . . . . . . . . 5235 1 832 . 1 1 81 81 LEU C C 13 175.610 0.000 . 1 . . . . . . . . 5235 1 833 . 1 1 82 82 GLN N N 15 127.109 0.000 . 1 . . . . . . . . 5235 1 834 . 1 1 82 82 GLN H H 1 8.617 0.000 . 1 . . . . . . . . 5235 1 835 . 1 1 82 82 GLN CA C 13 55.517 0.038 . 1 . . . . . . . . 5235 1 836 . 1 1 82 82 GLN HA H 1 4.740 0.000 . 1 . . . . . . . . 5235 1 837 . 1 1 82 82 GLN CB C 13 32.006 0.038 . 1 . . . . . . . . 5235 1 838 . 1 1 82 82 GLN HB2 H 1 1.840 0.000 . 2 . . . . . . . . 5235 1 839 . 1 1 82 82 GLN HB3 H 1 1.940 0.000 . 2 . . . . . . . . 5235 1 840 . 1 1 82 82 GLN CG C 13 29.770 0.000 . 1 . . . . . . . . 5235 1 841 . 1 1 82 82 GLN HG2 H 1 2.090 0.000 . 2 . . . . . . . . 5235 1 842 . 1 1 82 82 GLN HG3 H 1 2.260 0.000 . 2 . . . . . . . . 5235 1 843 . 1 1 82 82 GLN C C 13 174.800 0.000 . 1 . . . . . . . . 5235 1 844 . 1 1 83 83 LEU N N 15 117.908 0.000 . 1 . . . . . . . . 5235 1 845 . 1 1 83 83 LEU H H 1 7.655 0.000 . 1 . . . . . . . . 5235 1 846 . 1 1 83 83 LEU CA C 13 53.173 0.000 . 1 . . . . . . . . 5235 1 847 . 1 1 83 83 LEU HA H 1 4.770 0.000 . 1 . . . . . . . . 5235 1 848 . 1 1 83 83 LEU CB C 13 45.260 0.000 . 1 . . . . . . . . 5235 1 849 . 1 1 83 83 LEU HB2 H 1 1.240 0.000 . 1 . . . . . . . . 5235 1 850 . 1 1 83 83 LEU HB3 H 1 1.240 0.000 . 1 . . . . . . . . 5235 1 851 . 1 1 83 83 LEU CG C 13 27.030 0.000 . 1 . . . . . . . . 5235 1 852 . 1 1 83 83 LEU HG H 1 1.320 0.000 . 1 . . . . . . . . 5235 1 853 . 1 1 83 83 LEU HD11 H 1 0.600 0.000 . 2 . . . . . . . . 5235 1 854 . 1 1 83 83 LEU HD12 H 1 0.600 0.000 . 2 . . . . . . . . 5235 1 855 . 1 1 83 83 LEU HD13 H 1 0.600 0.000 . 2 . . . . . . . . 5235 1 856 . 1 1 83 83 LEU HD21 H 1 0.560 0.000 . 2 . . . . . . . . 5235 1 857 . 1 1 83 83 LEU HD22 H 1 0.560 0.000 . 2 . . . . . . . . 5235 1 858 . 1 1 83 83 LEU HD23 H 1 0.560 0.000 . 2 . . . . . . . . 5235 1 859 . 1 1 83 83 LEU CD1 C 13 25.940 0.000 . 1 . . . . . . . . 5235 1 860 . 1 1 83 83 LEU CD2 C 13 25.940 0.000 . 1 . . . . . . . . 5235 1 861 . 1 1 83 83 LEU C C 13 176.760 0.000 . 1 . . . . . . . . 5235 1 862 . 1 1 84 84 ARG N N 15 128.908 0.000 . 1 . . . . . . . . 5235 1 863 . 1 1 84 84 ARG H H 1 9.898 0.000 . 1 . . . . . . . . 5235 1 864 . 1 1 84 84 ARG CA C 13 57.668 0.038 . 1 . . . . . . . . 5235 1 865 . 1 1 84 84 ARG HA H 1 3.780 0.000 . 1 . . . . . . . . 5235 1 866 . 1 1 84 84 ARG CB C 13 28.164 0.038 . 1 . . . . . . . . 5235 1 867 . 1 1 84 84 ARG HB2 H 1 1.480 0.000 . 2 . . . . . . . . 5235 1 868 . 1 1 84 84 ARG HB3 H 1 1.750 0.000 . 2 . . . . . . . . 5235 1 869 . 1 1 84 84 ARG CG C 13 26.490 0.000 . 1 . . . . . . . . 5235 1 870 . 1 1 84 84 ARG HG2 H 1 1.680 0.000 . 1 . . . . . . . . 5235 1 871 . 1 1 84 84 ARG HG3 H 1 1.680 0.000 . 1 . . . . . . . . 5235 1 872 . 1 1 84 84 ARG CD C 13 43.990 0.000 . 1 . . . . . . . . 5235 1 873 . 1 1 84 84 ARG HD2 H 1 3.030 0.000 . 1 . . . . . . . . 5235 1 874 . 1 1 84 84 ARG HD3 H 1 3.030 0.000 . 1 . . . . . . . . 5235 1 875 . 1 1 84 84 ARG C C 13 174.640 0.000 . 1 . . . . . . . . 5235 1 876 . 1 1 85 85 ASN N N 15 107.659 0.000 . 1 . . . . . . . . 5235 1 877 . 1 1 85 85 ASN H H 1 8.805 0.000 . 1 . . . . . . . . 5235 1 878 . 1 1 85 85 ASN CA C 13 55.017 0.000 . 1 . . . . . . . . 5235 1 879 . 1 1 85 85 ASN HA H 1 4.130 0.000 . 1 . . . . . . . . 5235 1 880 . 1 1 85 85 ASN CB C 13 37.615 0.038 . 1 . . . . . . . . 5235 1 881 . 1 1 85 85 ASN HB2 H 1 2.940 0.000 . 2 . . . . . . . . 5235 1 882 . 1 1 85 85 ASN HB3 H 1 3.080 0.000 . 2 . . . . . . . . 5235 1 883 . 1 1 85 85 ASN C C 13 173.500 0.000 . 1 . . . . . . . . 5235 1 884 . 1 1 86 86 LYS N N 15 117.408 0.000 . 1 . . . . . . . . 5235 1 885 . 1 1 86 86 LYS H H 1 7.636 0.000 . 1 . . . . . . . . 5235 1 886 . 1 1 86 86 LYS CA C 13 52.828 0.038 . 1 . . . . . . . . 5235 1 887 . 1 1 86 86 LYS HA H 1 4.690 0.000 . 1 . . . . . . . . 5235 1 888 . 1 1 86 86 LYS CB C 13 32.774 0.038 . 1 . . . . . . . . 5235 1 889 . 1 1 86 86 LYS HB2 H 1 1.840 0.000 . 1 . . . . . . . . 5235 1 890 . 1 1 86 86 LYS HB3 H 1 1.840 0.000 . 1 . . . . . . . . 5235 1 891 . 1 1 86 86 LYS CG C 13 25.900 0.000 . 1 . . . . . . . . 5235 1 892 . 1 1 86 86 LYS HG2 H 1 1.570 0.000 . 1 . . . . . . . . 5235 1 893 . 1 1 86 86 LYS HG3 H 1 1.570 0.000 . 1 . . . . . . . . 5235 1 894 . 1 1 86 86 LYS CD C 13 27.590 0.000 . 1 . . . . . . . . 5235 1 895 . 1 1 86 86 LYS HD2 H 1 1.690 0.000 . 1 . . . . . . . . 5235 1 896 . 1 1 86 86 LYS HD3 H 1 1.690 0.000 . 1 . . . . . . . . 5235 1 897 . 1 1 86 86 LYS CE C 13 41.800 0.000 . 1 . . . . . . . . 5235 1 898 . 1 1 86 86 LYS HE2 H 1 2.910 0.000 . 1 . . . . . . . . 5235 1 899 . 1 1 86 86 LYS HE3 H 1 2.910 0.000 . 1 . . . . . . . . 5235 1 900 . 1 1 86 86 LYS C C 13 175.900 0.000 . 1 . . . . . . . . 5235 1 901 . 1 1 87 87 GLU N N 15 120.908 0.000 . 1 . . . . . . . . 5235 1 902 . 1 1 87 87 GLU H H 1 8.366 0.000 . 1 . . . . . . . . 5235 1 903 . 1 1 87 87 GLU CA C 13 56.593 0.038 . 1 . . . . . . . . 5235 1 904 . 1 1 87 87 GLU HA H 1 4.390 0.000 . 1 . . . . . . . . 5235 1 905 . 1 1 87 87 GLU CB C 13 29.701 0.038 . 1 . . . . . . . . 5235 1 906 . 1 1 87 87 GLU HB2 H 1 1.980 0.000 . 2 . . . . . . . . 5235 1 907 . 1 1 87 87 GLU HB3 H 1 1.830 0.000 . 2 . . . . . . . . 5235 1 908 . 1 1 87 87 GLU CG C 13 26.330 0.000 . 1 . . . . . . . . 5235 1 909 . 1 1 87 87 GLU HG2 H 1 2.280 0.000 . 2 . . . . . . . . 5235 1 910 . 1 1 87 87 GLU HG3 H 1 2.350 0.000 . 2 . . . . . . . . 5235 1 911 . 1 1 87 87 GLU C C 13 175.980 0.000 . 1 . . . . . . . . 5235 1 912 . 1 1 88 88 VAL N N 15 124.158 0.000 . 1 . . . . . . . . 5235 1 913 . 1 1 88 88 VAL H H 1 8.524 0.000 . 1 . . . . . . . . 5235 1 914 . 1 1 88 88 VAL CA C 13 60.396 0.000 . 1 . . . . . . . . 5235 1 915 . 1 1 88 88 VAL HA H 1 4.320 0.000 . 1 . . . . . . . . 5235 1 916 . 1 1 88 88 VAL CB C 13 36.116 0.000 . 1 . . . . . . . . 5235 1 917 . 1 1 88 88 VAL HB H 1 1.580 0.000 . 1 . . . . . . . . 5235 1 918 . 1 1 88 88 VAL HG11 H 1 0.500 0.000 . 1 . . . . . . . . 5235 1 919 . 1 1 88 88 VAL HG12 H 1 0.500 0.000 . 1 . . . . . . . . 5235 1 920 . 1 1 88 88 VAL HG13 H 1 0.500 0.000 . 1 . . . . . . . . 5235 1 921 . 1 1 88 88 VAL HG21 H 1 -0.160 0.000 . 1 . . . . . . . . 5235 1 922 . 1 1 88 88 VAL HG22 H 1 -0.160 0.000 . 1 . . . . . . . . 5235 1 923 . 1 1 88 88 VAL HG23 H 1 -0.160 0.000 . 1 . . . . . . . . 5235 1 924 . 1 1 88 88 VAL CG1 C 13 21.570 0.000 . 1 . . . . . . . . 5235 1 925 . 1 1 88 88 VAL CG2 C 13 22.110 0.000 . 1 . . . . . . . . 5235 1 926 . 1 1 88 88 VAL C C 13 174.740 0.000 . 1 . . . . . . . . 5235 1 927 . 1 1 89 89 THR N N 15 121.658 0.000 . 1 . . . . . . . . 5235 1 928 . 1 1 89 89 THR H H 1 8.884 0.000 . 1 . . . . . . . . 5235 1 929 . 1 1 89 89 THR CA C 13 62.295 0.055 . 1 . . . . . . . . 5235 1 930 . 1 1 89 89 THR HA H 1 4.410 0.000 . 1 . . . . . . . . 5235 1 931 . 1 1 89 89 THR CB C 13 69.155 0.077 . 1 . . . . . . . . 5235 1 932 . 1 1 89 89 THR HB H 1 4.000 0.000 . 1 . . . . . . . . 5235 1 933 . 1 1 89 89 THR HG21 H 1 1.100 0.000 . 1 . . . . . . . . 5235 1 934 . 1 1 89 89 THR HG22 H 1 1.100 0.000 . 1 . . . . . . . . 5235 1 935 . 1 1 89 89 THR HG23 H 1 1.100 0.000 . 1 . . . . . . . . 5235 1 936 . 1 1 89 89 THR CG2 C 13 21.020 0.000 . 1 . . . . . . . . 5235 1 937 . 1 1 89 89 THR C C 13 173.460 0.000 . 1 . . . . . . . . 5235 1 938 . 1 1 90 90 TRP N N 15 130.658 0.000 . 1 . . . . . . . . 5235 1 939 . 1 1 90 90 TRP H H 1 8.848 0.000 . 1 . . . . . . . . 5235 1 940 . 1 1 90 90 TRP CA C 13 55.248 0.077 . 1 . . . . . . . . 5235 1 941 . 1 1 90 90 TRP HA H 1 5.460 0.000 . 1 . . . . . . . . 5235 1 942 . 1 1 90 90 TRP CB C 13 31.775 0.038 . 1 . . . . . . . . 5235 1 943 . 1 1 90 90 TRP HB2 H 1 3.240 0.000 . 1 . . . . . . . . 5235 1 944 . 1 1 90 90 TRP HB3 H 1 3.240 0.000 . 1 . . . . . . . . 5235 1 945 . 1 1 90 90 TRP NE1 N 15 130.450 0.000 . 1 . . . . . . . . 5235 1 946 . 1 1 90 90 TRP HD1 H 1 7.420 0.000 . 1 . . . . . . . . 5235 1 947 . 1 1 90 90 TRP HE1 H 1 10.000 0.000 . 1 . . . . . . . . 5235 1 948 . 1 1 90 90 TRP HZ3 H 1 6.760 0.000 . 1 . . . . . . . . 5235 1 949 . 1 1 90 90 TRP HZ2 H 1 6.730 0.000 . 1 . . . . . . . . 5235 1 950 . 1 1 90 90 TRP HH2 H 1 6.520 0.000 . 1 . . . . . . . . 5235 1 951 . 1 1 90 90 TRP C C 13 176.140 0.000 . 1 . . . . . . . . 5235 1 952 . 1 1 91 91 GLU N N 15 124.408 0.000 . 1 . . . . . . . . 5235 1 953 . 1 1 91 91 GLU H H 1 9.599 0.000 . 1 . . . . . . . . 5235 1 954 . 1 1 91 91 GLU CA C 13 55.094 0.000 . 1 . . . . . . . . 5235 1 955 . 1 1 91 91 GLU HA H 1 4.760 0.000 . 1 . . . . . . . . 5235 1 956 . 1 1 91 91 GLU CB C 13 34.196 0.000 . 1 . . . . . . . . 5235 1 957 . 1 1 91 91 GLU HB2 H 1 2.080 0.000 . 2 . . . . . . . . 5235 1 958 . 1 1 91 91 GLU HB3 H 1 1.860 0.000 . 2 . . . . . . . . 5235 1 959 . 1 1 91 91 GLU CG C 13 34.700 0.000 . 1 . . . . . . . . 5235 1 960 . 1 1 91 91 GLU HG2 H 1 1.950 0.000 . 1 . . . . . . . . 5235 1 961 . 1 1 91 91 GLU HG3 H 1 1.950 0.000 . 1 . . . . . . . . 5235 1 962 . 1 1 91 91 GLU C C 13 174.490 0.000 . 1 . . . . . . . . 5235 1 963 . 1 1 92 92 VAL N N 15 128.658 0.000 . 1 . . . . . . . . 5235 1 964 . 1 1 92 92 VAL H H 1 9.036 0.000 . 1 . . . . . . . . 5235 1 965 . 1 1 92 92 VAL CA C 13 62.739 0.038 . 1 . . . . . . . . 5235 1 966 . 1 1 92 92 VAL HA H 1 4.570 0.000 . 1 . . . . . . . . 5235 1 967 . 1 1 92 92 VAL CB C 13 31.545 0.038 . 1 . . . . . . . . 5235 1 968 . 1 1 92 92 VAL HB H 1 2.080 0.000 . 1 . . . . . . . . 5235 1 969 . 1 1 92 92 VAL HG11 H 1 1.110 0.000 . 1 . . . . . . . . 5235 1 970 . 1 1 92 92 VAL HG12 H 1 1.110 0.000 . 1 . . . . . . . . 5235 1 971 . 1 1 92 92 VAL HG13 H 1 1.110 0.000 . 1 . . . . . . . . 5235 1 972 . 1 1 92 92 VAL HG21 H 1 0.880 0.000 . 1 . . . . . . . . 5235 1 973 . 1 1 92 92 VAL HG22 H 1 0.880 0.000 . 1 . . . . . . . . 5235 1 974 . 1 1 92 92 VAL HG23 H 1 0.880 0.000 . 1 . . . . . . . . 5235 1 975 . 1 1 92 92 VAL CG1 C 13 22.110 0.000 . 1 . . . . . . . . 5235 1 976 . 1 1 92 92 VAL CG2 C 13 21.570 0.000 . 1 . . . . . . . . 5235 1 977 . 1 1 92 92 VAL C C 13 177.040 0.000 . 1 . . . . . . . . 5235 1 978 . 1 1 93 93 LEU N N 15 127.658 0.000 . 1 . . . . . . . . 5235 1 979 . 1 1 93 93 LEU H H 1 7.852 0.000 . 1 . . . . . . . . 5235 1 980 . 1 1 93 93 LEU CA C 13 55.325 0.000 . 1 . . . . . . . . 5235 1 981 . 1 1 93 93 LEU HA H 1 4.500 0.000 . 1 . . . . . . . . 5235 1 982 . 1 1 93 93 LEU CB C 13 42.724 0.077 . 1 . . . . . . . . 5235 1 983 . 1 1 93 93 LEU HB2 H 1 1.850 0.000 . 2 . . . . . . . . 5235 1 984 . 1 1 93 93 LEU HB3 H 1 1.100 0.000 . 2 . . . . . . . . 5235 1 985 . 1 1 93 93 LEU CG C 13 22.110 0.000 . 1 . . . . . . . . 5235 1 986 . 1 1 93 93 LEU HG H 1 1.650 0.000 . 1 . . . . . . . . 5235 1 987 . 1 1 93 93 LEU HD11 H 1 0.860 0.000 . 2 . . . . . . . . 5235 1 988 . 1 1 93 93 LEU HD12 H 1 0.860 0.000 . 2 . . . . . . . . 5235 1 989 . 1 1 93 93 LEU HD13 H 1 0.860 0.000 . 2 . . . . . . . . 5235 1 990 . 1 1 93 93 LEU HD21 H 1 0.820 0.000 . 2 . . . . . . . . 5235 1 991 . 1 1 93 93 LEU HD22 H 1 0.820 0.000 . 2 . . . . . . . . 5235 1 992 . 1 1 93 93 LEU HD23 H 1 0.820 0.000 . 2 . . . . . . . . 5235 1 993 . 1 1 93 93 LEU CD1 C 13 22.110 0.000 . 1 . . . . . . . . 5235 1 994 . 1 1 93 93 LEU CD2 C 13 22.110 0.000 . 1 . . . . . . . . 5235 1 995 . 1 1 93 93 LEU C C 13 175.600 0.000 . 1 . . . . . . . . 5235 1 996 . 1 1 94 94 GLU N N 15 116.908 0.000 . 1 . . . . . . . . 5235 1 997 . 1 1 94 94 GLU H H 1 8.421 0.004 . 1 . . . . . . . . 5235 1 998 . 1 1 94 94 GLU CA C 13 54.672 0.038 . 1 . . . . . . . . 5235 1 999 . 1 1 94 94 GLU HA H 1 4.840 0.000 . 1 . . . . . . . . 5235 1 1000 . 1 1 94 94 GLU CB C 13 34.157 0.038 . 1 . . . . . . . . 5235 1 1001 . 1 1 94 94 GLU HB2 H 1 2.040 0.000 . 1 . . . . . . . . 5235 1 1002 . 1 1 94 94 GLU HB3 H 1 2.040 0.000 . 1 . . . . . . . . 5235 1 1003 . 1 1 94 94 GLU CG C 13 35.800 0.000 . 1 . . . . . . . . 5235 1 1004 . 1 1 94 94 GLU HG2 H 1 2.170 0.000 . 2 . . . . . . . . 5235 1 1005 . 1 1 94 94 GLU HG3 H 1 2.350 0.000 . 2 . . . . . . . . 5235 1 1006 . 1 1 94 94 GLU C C 13 177.000 0.000 . 1 . . . . . . . . 5235 1 1007 . 1 1 95 95 GLY N N 15 108.659 0.000 . 1 . . . . . . . . 5235 1 1008 . 1 1 95 95 GLY H H 1 8.826 0.000 . 1 . . . . . . . . 5235 1 1009 . 1 1 95 95 GLY CA C 13 46.566 0.000 . 1 . . . . . . . . 5235 1 1010 . 1 1 95 95 GLY HA2 H 1 4.080 0.000 . 2 . . . . . . . . 5235 1 1011 . 1 1 95 95 GLY HA3 H 1 4.000 0.000 . 2 . . . . . . . . 5235 1 1012 . 1 1 96 96 GLU CA C 13 59.243 0.000 . 1 . . . . . . . . 5235 1 1013 . 1 1 96 96 GLU CB C 13 29.586 0.000 . 1 . . . . . . . . 5235 1 1014 . 1 1 96 96 GLU C C 13 178.660 0.000 . 1 . . . . . . . . 5235 1 1015 . 1 1 97 97 VAL N N 15 119.158 0.000 . 1 . . . . . . . . 5235 1 1016 . 1 1 97 97 VAL H H 1 8.112 0.000 . 1 . . . . . . . . 5235 1 1017 . 1 1 97 97 VAL CA C 13 65.851 0.000 . 1 . . . . . . . . 5235 1 1018 . 1 1 97 97 VAL HA H 1 3.840 0.000 . 1 . . . . . . . . 5235 1 1019 . 1 1 97 97 VAL CB C 13 31.506 0.000 . 1 . . . . . . . . 5235 1 1020 . 1 1 97 97 VAL HB H 1 2.300 0.000 . 1 . . . . . . . . 5235 1 1021 . 1 1 97 97 VAL HG11 H 1 1.150 0.000 . 1 . . . . . . . . 5235 1 1022 . 1 1 97 97 VAL HG12 H 1 1.150 0.000 . 1 . . . . . . . . 5235 1 1023 . 1 1 97 97 VAL HG13 H 1 1.150 0.000 . 1 . . . . . . . . 5235 1 1024 . 1 1 97 97 VAL HG21 H 1 1.080 0.000 . 1 . . . . . . . . 5235 1 1025 . 1 1 97 97 VAL HG22 H 1 1.080 0.000 . 1 . . . . . . . . 5235 1 1026 . 1 1 97 97 VAL HG23 H 1 1.080 0.000 . 1 . . . . . . . . 5235 1 1027 . 1 1 97 97 VAL CG1 C 13 22.110 0.000 . 1 . . . . . . . . 5235 1 1028 . 1 1 97 97 VAL CG2 C 13 22.110 0.000 . 1 . . . . . . . . 5235 1 1029 . 1 1 97 97 VAL C C 13 178.960 0.000 . 1 . . . . . . . . 5235 1 1030 . 1 1 98 98 GLU N N 15 120.908 0.000 . 1 . . . . . . . . 5235 1 1031 . 1 1 98 98 GLU H H 1 7.057 0.000 . 1 . . . . . . . . 5235 1 1032 . 1 1 98 98 GLU CA C 13 59.166 0.000 . 1 . . . . . . . . 5235 1 1033 . 1 1 98 98 GLU HA H 1 3.760 0.000 . 1 . . . . . . . . 5235 1 1034 . 1 1 98 98 GLU CB C 13 29.432 0.077 . 1 . . . . . . . . 5235 1 1035 . 1 1 98 98 GLU HB2 H 1 2.250 0.000 . 1 . . . . . . . . 5235 1 1036 . 1 1 98 98 GLU HB3 H 1 2.250 0.000 . 1 . . . . . . . . 5235 1 1037 . 1 1 98 98 GLU CG C 13 36.880 0.000 . 1 . . . . . . . . 5235 1 1038 . 1 1 98 98 GLU HG2 H 1 2.040 0.000 . 2 . . . . . . . . 5235 1 1039 . 1 1 98 98 GLU HG3 H 1 2.130 0.000 . 2 . . . . . . . . 5235 1 1040 . 1 1 98 98 GLU C C 13 176.500 0.000 . 1 . . . . . . . . 5235 1 1041 . 1 1 99 99 LYS N N 15 117.908 0.000 . 1 . . . . . . . . 5235 1 1042 . 1 1 99 99 LYS H H 1 7.770 0.000 . 1 . . . . . . . . 5235 1 1043 . 1 1 99 99 LYS CA C 13 60.050 0.038 . 1 . . . . . . . . 5235 1 1044 . 1 1 99 99 LYS HA H 1 3.840 0.000 . 1 . . . . . . . . 5235 1 1045 . 1 1 99 99 LYS CB C 13 32.121 0.000 . 1 . . . . . . . . 5235 1 1046 . 1 1 99 99 LYS HB2 H 1 1.920 0.000 . 2 . . . . . . . . 5235 1 1047 . 1 1 99 99 LYS HB3 H 1 1.970 0.000 . 2 . . . . . . . . 5235 1 1048 . 1 1 99 99 LYS CG C 13 25.400 0.000 . 1 . . . . . . . . 5235 1 1049 . 1 1 99 99 LYS HG2 H 1 1.620 0.000 . 2 . . . . . . . . 5235 1 1050 . 1 1 99 99 LYS HG3 H 1 1.440 0.000 . 2 . . . . . . . . 5235 1 1051 . 1 1 99 99 LYS CD C 13 29.220 0.000 . 1 . . . . . . . . 5235 1 1052 . 1 1 99 99 LYS HD2 H 1 1.680 0.000 . 1 . . . . . . . . 5235 1 1053 . 1 1 99 99 LYS HD3 H 1 1.680 0.000 . 1 . . . . . . . . 5235 1 1054 . 1 1 99 99 LYS CE C 13 42.350 0.000 . 1 . . . . . . . . 5235 1 1055 . 1 1 99 99 LYS HE2 H 1 2.950 0.000 . 1 . . . . . . . . 5235 1 1056 . 1 1 99 99 LYS HE3 H 1 2.950 0.000 . 1 . . . . . . . . 5235 1 1057 . 1 1 99 99 LYS C C 13 179.240 0.000 . 1 . . . . . . . . 5235 1 1058 . 1 1 100 100 GLU N N 15 118.158 0.000 . 1 . . . . . . . . 5235 1 1059 . 1 1 100 100 GLU H H 1 8.151 0.000 . 1 . . . . . . . . 5235 1 1060 . 1 1 100 100 GLU CA C 13 59.013 0.000 . 1 . . . . . . . . 5235 1 1061 . 1 1 100 100 GLU HA H 1 4.030 0.000 . 1 . . . . . . . . 5235 1 1062 . 1 1 100 100 GLU CB C 13 29.662 0.000 . 1 . . . . . . . . 5235 1 1063 . 1 1 100 100 GLU HB2 H 1 2.070 0.000 . 1 . . . . . . . . 5235 1 1064 . 1 1 100 100 GLU HB3 H 1 2.070 0.000 . 1 . . . . . . . . 5235 1 1065 . 1 1 100 100 GLU CG C 13 36.880 0.000 . 1 . . . . . . . . 5235 1 1066 . 1 1 100 100 GLU HG2 H 1 2.380 0.000 . 2 . . . . . . . . 5235 1 1067 . 1 1 100 100 GLU HG3 H 1 2.420 0.000 . 2 . . . . . . . . 5235 1 1068 . 1 1 100 100 GLU C C 13 172.610 0.000 . 1 . . . . . . . . 5235 1 1069 . 1 1 101 101 ALA N N 15 122.908 0.000 . 1 . . . . . . . . 5235 1 1070 . 1 1 101 101 ALA H H 1 7.975 0.000 . 1 . . . . . . . . 5235 1 1071 . 1 1 101 101 ALA CA C 13 54.787 0.000 . 1 . . . . . . . . 5235 1 1072 . 1 1 101 101 ALA HA H 1 4.160 0.000 . 1 . . . . . . . . 5235 1 1073 . 1 1 101 101 ALA HB1 H 1 1.430 0.000 . 1 . . . . . . . . 5235 1 1074 . 1 1 101 101 ALA HB2 H 1 1.430 0.000 . 1 . . . . . . . . 5235 1 1075 . 1 1 101 101 ALA HB3 H 1 1.430 0.000 . 1 . . . . . . . . 5235 1 1076 . 1 1 101 101 ALA CB C 13 18.983 0.000 . 1 . . . . . . . . 5235 1 1077 . 1 1 101 101 ALA C C 13 180.000 0.000 . 1 . . . . . . . . 5235 1 1078 . 1 1 102 102 LEU N N 15 118.908 0.000 . 1 . . . . . . . . 5235 1 1079 . 1 1 102 102 LEU H H 1 8.647 0.000 . 1 . . . . . . . . 5235 1 1080 . 1 1 102 102 LEU CA C 13 57.707 0.000 . 1 . . . . . . . . 5235 1 1081 . 1 1 102 102 LEU HA H 1 3.980 0.000 . 1 . . . . . . . . 5235 1 1082 . 1 1 102 102 LEU CB C 13 42.186 0.000 . 1 . . . . . . . . 5235 1 1083 . 1 1 102 102 LEU HB2 H 1 1.540 0.000 . 2 . . . . . . . . 5235 1 1084 . 1 1 102 102 LEU HB3 H 1 1.840 0.000 . 2 . . . . . . . . 5235 1 1085 . 1 1 102 102 LEU CG C 13 27.040 0.000 . 1 . . . . . . . . 5235 1 1086 . 1 1 102 102 LEU HG H 1 1.680 0.000 . 1 . . . . . . . . 5235 1 1087 . 1 1 102 102 LEU HD11 H 1 0.830 0.000 . 2 . . . . . . . . 5235 1 1088 . 1 1 102 102 LEU HD12 H 1 0.830 0.000 . 2 . . . . . . . . 5235 1 1089 . 1 1 102 102 LEU HD13 H 1 0.830 0.000 . 2 . . . . . . . . 5235 1 1090 . 1 1 102 102 LEU HD21 H 1 0.890 0.000 . 2 . . . . . . . . 5235 1 1091 . 1 1 102 102 LEU HD22 H 1 0.890 0.000 . 2 . . . . . . . . 5235 1 1092 . 1 1 102 102 LEU HD23 H 1 0.890 0.000 . 2 . . . . . . . . 5235 1 1093 . 1 1 102 102 LEU CD1 C 13 24.850 0.000 . 1 . . . . . . . . 5235 1 1094 . 1 1 102 102 LEU CD2 C 13 24.850 0.000 . 1 . . . . . . . . 5235 1 1095 . 1 1 102 102 LEU C C 13 178.100 0.000 . 1 . . . . . . . . 5235 1 1096 . 1 1 103 103 LYS N N 15 117.908 0.000 . 1 . . . . . . . . 5235 1 1097 . 1 1 103 103 LYS H H 1 7.726 0.000 . 1 . . . . . . . . 5235 1 1098 . 1 1 103 103 LYS CA C 13 59.820 0.038 . 1 . . . . . . . . 5235 1 1099 . 1 1 103 103 LYS HA H 1 3.810 0.000 . 1 . . . . . . . . 5235 1 1100 . 1 1 103 103 LYS CB C 13 32.352 0.000 . 1 . . . . . . . . 5235 1 1101 . 1 1 103 103 LYS HB2 H 1 1.870 0.000 . 1 . . . . . . . . 5235 1 1102 . 1 1 103 103 LYS HB3 H 1 1.870 0.000 . 1 . . . . . . . . 5235 1 1103 . 1 1 103 103 LYS CG C 13 25.950 0.000 . 1 . . . . . . . . 5235 1 1104 . 1 1 103 103 LYS HG2 H 1 1.320 0.000 . 1 . . . . . . . . 5235 1 1105 . 1 1 103 103 LYS HG3 H 1 1.320 0.000 . 1 . . . . . . . . 5235 1 1106 . 1 1 103 103 LYS CD C 13 29.300 0.000 . 1 . . . . . . . . 5235 1 1107 . 1 1 103 103 LYS HD2 H 1 1.650 0.000 . 1 . . . . . . . . 5235 1 1108 . 1 1 103 103 LYS HD3 H 1 1.650 0.000 . 1 . . . . . . . . 5235 1 1109 . 1 1 103 103 LYS CE C 13 42.350 0.000 . 1 . . . . . . . . 5235 1 1110 . 1 1 103 103 LYS HE2 H 1 2.920 0.000 . 1 . . . . . . . . 5235 1 1111 . 1 1 103 103 LYS HE3 H 1 2.920 0.000 . 1 . . . . . . . . 5235 1 1112 . 1 1 103 103 LYS C C 13 180.000 0.000 . 1 . . . . . . . . 5235 1 1113 . 1 1 104 104 LYS N N 15 118.658 0.000 . 1 . . . . . . . . 5235 1 1114 . 1 1 104 104 LYS H H 1 7.396 0.000 . 1 . . . . . . . . 5235 1 1115 . 1 1 104 104 LYS CA C 13 59.205 0.038 . 1 . . . . . . . . 5235 1 1116 . 1 1 104 104 LYS HA H 1 4.030 0.000 . 1 . . . . . . . . 5235 1 1117 . 1 1 104 104 LYS CB C 13 32.582 0.000 . 1 . . . . . . . . 5235 1 1118 . 1 1 104 104 LYS HB2 H 1 1.970 0.000 . 1 . . . . . . . . 5235 1 1119 . 1 1 104 104 LYS HB3 H 1 1.970 0.000 . 1 . . . . . . . . 5235 1 1120 . 1 1 104 104 LYS CG C 13 25.400 0.000 . 1 . . . . . . . . 5235 1 1121 . 1 1 104 104 LYS HG2 H 1 1.480 0.000 . 1 . . . . . . . . 5235 1 1122 . 1 1 104 104 LYS HG3 H 1 1.480 0.000 . 1 . . . . . . . . 5235 1 1123 . 1 1 104 104 LYS CD C 13 29.220 0.000 . 1 . . . . . . . . 5235 1 1124 . 1 1 104 104 LYS HD2 H 1 1.710 0.000 . 1 . . . . . . . . 5235 1 1125 . 1 1 104 104 LYS HD3 H 1 1.710 0.000 . 1 . . . . . . . . 5235 1 1126 . 1 1 104 104 LYS CE C 13 42.350 0.000 . 1 . . . . . . . . 5235 1 1127 . 1 1 104 104 LYS HE2 H 1 3.010 0.000 . 1 . . . . . . . . 5235 1 1128 . 1 1 104 104 LYS HE3 H 1 3.010 0.000 . 1 . . . . . . . . 5235 1 1129 . 1 1 104 104 LYS C C 13 177.160 0.000 . 1 . . . . . . . . 5235 1 1130 . 1 1 105 105 ILE N N 15 119.658 0.000 . 1 . . . . . . . . 5235 1 1131 . 1 1 105 105 ILE H H 1 8.009 0.002 . 1 . . . . . . . . 5235 1 1132 . 1 1 105 105 ILE CA C 13 65.352 0.038 . 1 . . . . . . . . 5235 1 1133 . 1 1 105 105 ILE HA H 1 3.550 0.000 . 1 . . . . . . . . 5235 1 1134 . 1 1 105 105 ILE CB C 13 38.114 0.000 . 1 . . . . . . . . 5235 1 1135 . 1 1 105 105 ILE HB H 1 1.840 0.000 . 1 . . . . . . . . 5235 1 1136 . 1 1 105 105 ILE HG21 H 1 0.800 0.000 . 1 . . . . . . . . 5235 1 1137 . 1 1 105 105 ILE HG22 H 1 0.800 0.000 . 1 . . . . . . . . 5235 1 1138 . 1 1 105 105 ILE HG23 H 1 0.800 0.000 . 1 . . . . . . . . 5235 1 1139 . 1 1 105 105 ILE CG2 C 13 17.700 0.000 . 1 . . . . . . . . 5235 1 1140 . 1 1 105 105 ILE CG1 C 13 28.70 0.000 . 1 . . . . . . . . 5235 1 1141 . 1 1 105 105 ILE HG12 H 1 1.080 0.000 . 2 . . . . . . . . 5235 1 1142 . 1 1 105 105 ILE HG13 H 1 1.530 0.000 . 2 . . . . . . . . 5235 1 1143 . 1 1 105 105 ILE HD11 H 1 0.700 0.000 . 1 . . . . . . . . 5235 1 1144 . 1 1 105 105 ILE HD12 H 1 0.700 0.000 . 1 . . . . . . . . 5235 1 1145 . 1 1 105 105 ILE HD13 H 1 0.700 0.000 . 1 . . . . . . . . 5235 1 1146 . 1 1 105 105 ILE CD1 C 13 12.800 0.000 . 1 . . . . . . . . 5235 1 1147 . 1 1 105 105 ILE C C 13 179.200 0.000 . 1 . . . . . . . . 5235 1 1148 . 1 1 106 106 ILE N N 15 120.135 0.024 . 1 . . . . . . . . 5235 1 1149 . 1 1 106 106 ILE H H 1 8.368 0.002 . 1 . . . . . . . . 5235 1 1150 . 1 1 106 106 ILE CA C 13 64.506 0.038 . 1 . . . . . . . . 5235 1 1151 . 1 1 106 106 ILE HA H 1 3.530 0.000 . 1 . . . . . . . . 5235 1 1152 . 1 1 106 106 ILE CB C 13 37.346 0.000 . 1 . . . . . . . . 5235 1 1153 . 1 1 106 106 ILE HB H 1 1.830 0.000 . 1 . . . . . . . . 5235 1 1154 . 1 1 106 106 ILE HG21 H 1 0.470 0.000 . 1 . . . . . . . . 5235 1 1155 . 1 1 106 106 ILE HG22 H 1 0.470 0.000 . 1 . . . . . . . . 5235 1 1156 . 1 1 106 106 ILE HG23 H 1 0.470 0.000 . 1 . . . . . . . . 5235 1 1157 . 1 1 106 106 ILE CG2 C 13 16.600 0.000 . 1 . . . . . . . . 5235 1 1158 . 1 1 106 106 ILE CG1 C 13 30.000 0.000 . 1 . . . . . . . . 5235 1 1159 . 1 1 106 106 ILE HG12 H 1 1.050 0.000 . 1 . . . . . . . . 5235 1 1160 . 1 1 106 106 ILE HG13 H 1 1.050 0.000 . 1 . . . . . . . . 5235 1 1161 . 1 1 106 106 ILE HD11 H 1 0.800 0.000 . 1 . . . . . . . . 5235 1 1162 . 1 1 106 106 ILE HD12 H 1 0.800 0.000 . 1 . . . . . . . . 5235 1 1163 . 1 1 106 106 ILE HD13 H 1 0.800 0.000 . 1 . . . . . . . . 5235 1 1164 . 1 1 106 106 ILE CD1 C 13 15.000 0.000 . 1 . . . . . . . . 5235 1 1165 . 1 1 106 106 ILE C C 13 178.830 0.000 . 1 . . . . . . . . 5235 1 1166 . 1 1 107 107 GLU N N 15 120.658 0.000 . 1 . . . . . . . . 5235 1 1167 . 1 1 107 107 GLU H H 1 7.800 0.000 . 1 . . . . . . . . 5235 1 1168 . 1 1 107 107 GLU CA C 13 59.435 0.038 . 1 . . . . . . . . 5235 1 1169 . 1 1 107 107 GLU HA H 1 4.000 0.000 . 1 . . . . . . . . 5235 1 1170 . 1 1 107 107 GLU CB C 13 29.240 0.038 . 1 . . . . . . . . 5235 1 1171 . 1 1 107 107 GLU HB2 H 1 2.100 0.000 . 2 . . . . . . . . 5235 1 1172 . 1 1 107 107 GLU HB3 H 1 2.170 0.000 . 2 . . . . . . . . 5235 1 1173 . 1 1 107 107 GLU CG C 13 34.150 0.000 . 1 . . . . . . . . 5235 1 1174 . 1 1 107 107 GLU HG2 H 1 2.420 0.000 . 1 . . . . . . . . 5235 1 1175 . 1 1 107 107 GLU HG3 H 1 2.420 0.000 . 1 . . . . . . . . 5235 1 1176 . 1 1 107 107 GLU C C 13 179.110 0.000 . 1 . . . . . . . . 5235 1 1177 . 1 1 108 108 ASP N N 15 121.658 0.000 . 1 . . . . . . . . 5235 1 1178 . 1 1 108 108 ASP H H 1 8.544 0.000 . 1 . . . . . . . . 5235 1 1179 . 1 1 108 108 ASP CA C 13 56.900 0.038 . 1 . . . . . . . . 5235 1 1180 . 1 1 108 108 ASP HA H 1 4.450 0.000 . 1 . . . . . . . . 5235 1 1181 . 1 1 108 108 ASP CB C 13 40.534 0.038 . 1 . . . . . . . . 5235 1 1182 . 1 1 108 108 ASP HB2 H 1 2.820 0.000 . 1 . . . . . . . . 5235 1 1183 . 1 1 108 108 ASP HB3 H 1 2.820 0.000 . 1 . . . . . . . . 5235 1 1184 . 1 1 108 108 ASP C C 13 178.000 0.000 . 1 . . . . . . . . 5235 1 1185 . 1 1 109 109 GLN N N 15 120.408 0.000 . 1 . . . . . . . . 5235 1 1186 . 1 1 109 109 GLN H H 1 8.337 0.000 . 1 . . . . . . . . 5235 1 1187 . 1 1 109 109 GLN CA C 13 58.193 0.036 . 1 . . . . . . . . 5235 1 1188 . 1 1 109 109 GLN HA H 1 3.500 0.000 . 1 . . . . . . . . 5235 1 1189 . 1 1 109 109 GLN CB C 13 28.356 0.000 . 1 . . . . . . . . 5235 1 1190 . 1 1 109 109 GLN HB2 H 1 1.540 0.000 . 1 . . . . . . . . 5235 1 1191 . 1 1 109 109 GLN HB3 H 1 1.540 0.000 . 1 . . . . . . . . 5235 1 1192 . 1 1 109 109 GLN CG C 13 33.600 0.000 . 1 . . . . . . . . 5235 1 1193 . 1 1 109 109 GLN HG2 H 1 1.700 0.000 . 2 . . . . . . . . 5235 1 1194 . 1 1 109 109 GLN HG3 H 1 1.260 0.000 . 2 . . . . . . . . 5235 1 1195 . 1 1 109 109 GLN C C 13 178.370 0.000 . 1 . . . . . . . . 5235 1 1196 . 1 1 110 110 GLN N N 15 119.158 0.000 . 1 . . . . . . . . 5235 1 1197 . 1 1 110 110 GLN H H 1 8.049 0.001 . 1 . . . . . . . . 5235 1 1198 . 1 1 110 110 GLN CA C 13 58.168 0.000 . 1 . . . . . . . . 5235 1 1199 . 1 1 110 110 GLN HA H 1 4.010 0.000 . 1 . . . . . . . . 5235 1 1200 . 1 1 110 110 GLN CB C 13 28.395 0.038 . 1 . . . . . . . . 5235 1 1201 . 1 1 110 110 GLN HB2 H 1 2.140 0.000 . 1 . . . . . . . . 5235 1 1202 . 1 1 110 110 GLN HB3 H 1 2.140 0.000 . 1 . . . . . . . . 5235 1 1203 . 1 1 110 110 GLN CG C 13 34.140 0.000 . 1 . . . . . . . . 5235 1 1204 . 1 1 110 110 GLN HG2 H 1 2.410 0.000 . 1 . . . . . . . . 5235 1 1205 . 1 1 110 110 GLN HG3 H 1 2.410 0.000 . 1 . . . . . . . . 5235 1 1206 . 1 1 110 110 GLN C C 13 179.100 0.000 . 1 . . . . . . . . 5235 1 1207 . 1 1 111 111 GLU N N 15 120.408 0.000 . 1 . . . . . . . . 5235 1 1208 . 1 1 111 111 GLU H H 1 8.294 0.000 . 1 . . . . . . . . 5235 1 1209 . 1 1 111 111 GLU CA C 13 58.513 0.038 . 1 . . . . . . . . 5235 1 1210 . 1 1 111 111 GLU HA H 1 4.220 0.000 . 1 . . . . . . . . 5235 1 1211 . 1 1 111 111 GLU CB C 13 29.624 0.038 . 1 . . . . . . . . 5235 1 1212 . 1 1 111 111 GLU HB2 H 1 2.150 0.000 . 1 . . . . . . . . 5235 1 1213 . 1 1 111 111 GLU HB3 H 1 2.150 0.000 . 1 . . . . . . . . 5235 1 1214 . 1 1 111 111 GLU CG C 13 36.330 0.000 . 1 . . . . . . . . 5235 1 1215 . 1 1 111 111 GLU HG2 H 1 2.380 0.000 . 1 . . . . . . . . 5235 1 1216 . 1 1 111 111 GLU HG3 H 1 2.380 0.000 . 1 . . . . . . . . 5235 1 1217 . 1 1 111 111 GLU C C 13 178.200 0.000 . 1 . . . . . . . . 5235 1 1218 . 1 1 112 112 SER N N 15 114.658 0.000 . 1 . . . . . . . . 5235 1 1219 . 1 1 112 112 SER H H 1 8.069 0.000 . 1 . . . . . . . . 5235 1 1220 . 1 1 112 112 SER CA C 13 60.588 0.038 . 1 . . . . . . . . 5235 1 1221 . 1 1 112 112 SER HA H 1 4.380 0.000 . 1 . . . . . . . . 5235 1 1222 . 1 1 112 112 SER CB C 13 63.623 0.000 . 1 . . . . . . . . 5235 1 1223 . 1 1 112 112 SER HB2 H 1 4.110 0.000 . 1 . . . . . . . . 5235 1 1224 . 1 1 112 112 SER HB3 H 1 4.110 0.000 . 1 . . . . . . . . 5235 1 1225 . 1 1 112 112 SER C C 13 175.860 0.000 . 1 . . . . . . . . 5235 1 1226 . 1 1 113 113 LEU N N 15 122.158 0.000 . 1 . . . . . . . . 5235 1 1227 . 1 1 113 113 LEU H H 1 7.930 0.000 . 1 . . . . . . . . 5235 1 1228 . 1 1 113 113 LEU CA C 13 56.554 0.000 . 1 . . . . . . . . 5235 1 1229 . 1 1 113 113 LEU HA H 1 4.280 0.000 . 1 . . . . . . . . 5235 1 1230 . 1 1 113 113 LEU CB C 13 42.033 0.000 . 1 . . . . . . . . 5235 1 1231 . 1 1 113 113 LEU HB2 H 1 1.580 0.000 . 2 . . . . . . . . 5235 1 1232 . 1 1 113 113 LEU HB3 H 1 1.730 0.000 . 2 . . . . . . . . 5235 1 1233 . 1 1 113 113 LEU CG C 13 27.040 0.000 . 1 . . . . . . . . 5235 1 1234 . 1 1 113 113 LEU HG H 1 1.720 0.000 . 1 . . . . . . . . 5235 1 1235 . 1 1 113 113 LEU CD1 C 13 24.850 0.000 . 1 . . . . . . . . 5235 1 1236 . 1 1 113 113 LEU CD2 C 13 24.850 0.000 . 1 . . . . . . . . 5235 1 1237 . 1 1 113 113 LEU HD11 H 1 0.890 0.000 . 1 . . . . . . . . 5235 1 1238 . 1 1 113 113 LEU HD12 H 1 0.890 0.000 . 1 . . . . . . . . 5235 1 1239 . 1 1 113 113 LEU HD13 H 1 0.890 0.000 . 1 . . . . . . . . 5235 1 1240 . 1 1 113 113 LEU HD21 H 1 0.890 0.000 . 1 . . . . . . . . 5235 1 1241 . 1 1 113 113 LEU HD22 H 1 0.890 0.000 . 1 . . . . . . . . 5235 1 1242 . 1 1 113 113 LEU HD23 H 1 0.890 0.000 . 1 . . . . . . . . 5235 1 1243 . 1 1 113 113 LEU C C 13 178.000 0.000 . 1 . . . . . . . . 5235 1 1244 . 1 1 114 114 ASN N N 15 117.408 0.000 . 1 . . . . . . . . 5235 1 1245 . 1 1 114 114 ASN H H 1 8.121 0.000 . 1 . . . . . . . . 5235 1 1246 . 1 1 114 114 ASN CA C 13 54.172 0.077 . 1 . . . . . . . . 5235 1 1247 . 1 1 114 114 ASN HA H 1 4.630 0.000 . 1 . . . . . . . . 5235 1 1248 . 1 1 114 114 ASN CB C 13 38.652 0.000 . 1 . . . . . . . . 5235 1 1249 . 1 1 114 114 ASN HB2 H 1 2.780 0.000 . 2 . . . . . . . . 5235 1 1250 . 1 1 114 114 ASN HB3 H 1 2.880 0.000 . 2 . . . . . . . . 5235 1 1251 . 1 1 114 114 ASN C C 13 175.300 0.000 . 1 . . . . . . . . 5235 1 1252 . 1 1 115 115 LYS N N 15 120.908 0.000 . 1 . . . . . . . . 5235 1 1253 . 1 1 115 115 LYS H H 1 8.033 0.000 . 1 . . . . . . . . 5235 1 1254 . 1 1 115 115 LYS CA C 13 57.707 0.000 . 1 . . . . . . . . 5235 1 1255 . 1 1 115 115 LYS HA H 1 4.130 0.000 . 1 . . . . . . . . 5235 1 1256 . 1 1 115 115 LYS CB C 13 32.352 0.000 . 1 . . . . . . . . 5235 1 1257 . 1 1 115 115 LYS HB2 H 1 1.780 0.000 . 1 . . . . . . . . 5235 1 1258 . 1 1 115 115 LYS HB3 H 1 1.780 0.000 . 1 . . . . . . . . 5235 1 1259 . 1 1 115 115 LYS CG C 13 24.850 0.000 . 1 . . . . . . . . 5235 1 1260 . 1 1 115 115 LYS HG2 H 1 1.310 0.000 . 1 . . . . . . . . 5235 1 1261 . 1 1 115 115 LYS HG3 H 1 1.310 0.000 . 1 . . . . . . . . 5235 1 1262 . 1 1 115 115 LYS CD C 13 29.230 0.000 . 1 . . . . . . . . 5235 1 1263 . 1 1 115 115 LYS HD2 H 1 1.640 0.000 . 1 . . . . . . . . 5235 1 1264 . 1 1 115 115 LYS HD3 H 1 1.640 0.000 . 1 . . . . . . . . 5235 1 1265 . 1 1 115 115 LYS CE C 13 42.900 0.000 . 1 . . . . . . . . 5235 1 1266 . 1 1 115 115 LYS HE2 H 1 2.980 0.000 . 1 . . . . . . . . 5235 1 1267 . 1 1 115 115 LYS HE3 H 1 2.980 0.000 . 1 . . . . . . . . 5235 1 1268 . 1 1 115 115 LYS C C 13 176.500 0.000 . 1 . . . . . . . . 5235 1 1269 . 1 1 116 116 TRP N N 15 119.650 0.000 . 1 . . . . . . . . 5235 1 1270 . 1 1 116 116 TRP H H 1 8.000 0.000 . 1 . . . . . . . . 5235 1 1271 . 1 1 116 116 TRP CA C 13 57.400 0.000 . 1 . . . . . . . . 5235 1 1272 . 1 1 116 116 TRP HA H 1 4.730 0.000 . 1 . . . . . . . . 5235 1 1273 . 1 1 116 116 TRP CB C 13 29.030 0.000 . 1 . . . . . . . . 5235 1 1274 . 1 1 116 116 TRP NE1 N 15 129.170 0.000 . 1 . . . . . . . . 5235 1 1275 . 1 1 116 116 TRP HD1 H 1 7.280 0.000 . 1 . . . . . . . . 5235 1 1276 . 1 1 116 116 TRP HE3 H 1 7.880 0.000 . 1 . . . . . . . . 5235 1 1277 . 1 1 116 116 TRP HE1 H 1 10.140 0.000 . 1 . . . . . . . . 5235 1 1278 . 1 1 116 116 TRP HZ3 H 1 7.240 0.000 . 1 . . . . . . . . 5235 1 1279 . 1 1 116 116 TRP HZ2 H 1 7.140 0.000 . 1 . . . . . . . . 5235 1 1280 . 1 1 116 116 TRP HH2 H 1 7.660 0.000 . 1 . . . . . . . . 5235 1 1281 . 1 1 116 116 TRP C C 13 176.270 0.000 . 1 . . . . . . . . 5235 1 1282 . 1 1 117 117 LYS N N 15 121.160 0.000 . 1 . . . . . . . . 5235 1 1283 . 1 1 117 117 LYS H H 1 7.950 0.000 . 1 . . . . . . . . 5235 1 1284 . 1 1 117 117 LYS CA C 13 57.800 0.000 . 1 . . . . . . . . 5235 1 1285 . 1 1 117 117 LYS HA H 1 3.940 0.000 . 1 . . . . . . . . 5235 1 1286 . 1 1 117 117 LYS CB C 13 32.500 0.000 . 1 . . . . . . . . 5235 1 1287 . 1 1 117 117 LYS HB2 H 1 1.860 0.000 . 2 . . . . . . . . 5235 1 1288 . 1 1 117 117 LYS HB3 H 1 2.070 0.000 . 2 . . . . . . . . 5235 1 1289 . 1 1 117 117 LYS CG C 13 26.490 0.000 . 1 . . . . . . . . 5235 1 1290 . 1 1 117 117 LYS HG2 H 1 1.540 0.000 . 1 . . . . . . . . 5235 1 1291 . 1 1 117 117 LYS HG3 H 1 1.540 0.000 . 1 . . . . . . . . 5235 1 1292 . 1 1 117 117 LYS CD C 13 29.770 0.000 . 1 . . . . . . . . 5235 1 1293 . 1 1 117 117 LYS HD2 H 1 1.810 0.000 . 1 . . . . . . . . 5235 1 1294 . 1 1 117 117 LYS HD3 H 1 1.810 0.000 . 1 . . . . . . . . 5235 1 1295 . 1 1 118 118 SER N N 15 115.900 0.000 . 1 . . . . . . . . 5235 1 1296 . 1 1 118 118 SER H H 1 8.150 0.000 . 1 . . . . . . . . 5235 1 1297 . 1 1 118 118 SER CA C 13 58.520 0.000 . 1 . . . . . . . . 5235 1 1298 . 1 1 118 118 SER CB C 13 63.500 0.000 . 1 . . . . . . . . 5235 1 1299 . 1 1 119 119 LYS N N 15 122.650 0.000 . 1 . . . . . . . . 5235 1 1300 . 1 1 119 119 LYS H H 1 8.240 0.000 . 1 . . . . . . . . 5235 1 1301 . 1 1 119 119 LYS CA C 13 56.500 0.000 . 1 . . . . . . . . 5235 1 1302 . 1 1 119 119 LYS CB C 13 32.500 0.000 . 1 . . . . . . . . 5235 1 1303 . 1 1 119 119 LYS C C 13 176.980 0.000 . 1 . . . . . . . . 5235 1 1304 . 1 1 120 120 GLY N N 15 110.410 0.000 . 1 . . . . . . . . 5235 1 1305 . 1 1 120 120 GLY H H 1 8.410 0.000 . 1 . . . . . . . . 5235 1 1306 . 1 1 120 120 GLY CA C 13 45.200 0.000 . 1 . . . . . . . . 5235 1 1307 . 1 1 120 120 GLY C C 13 173.090 0.000 . 1 . . . . . . . . 5235 1 1308 . 1 1 121 121 ARG N N 15 125.680 0.000 . 1 . . . . . . . . 5235 1 1309 . 1 1 121 121 ARG H H 1 7.850 0.000 . 1 . . . . . . . . 5235 1 1310 . 1 1 121 121 ARG CA C 13 58.000 0.000 . 1 . . . . . . . . 5235 1 1311 . 1 1 121 121 ARG CB C 13 31.450 0.000 . 1 . . . . . . . . 5235 1 stop_ save_