data_6233 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6233 _Entry.Title ; (poly)ubiquitin-binding region of S5a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-06-10 _Entry.Accession_date 2004-06-11 _Entry.Last_release_date . _Entry.Original_release_date . _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 Qinghua Wang . . . 6233 2 Kylie Walters . J. . 6233 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6233 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 636 6233 '13C chemical shifts' 417 6233 '15N chemical shifts' 117 6233 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 . . 2005-03-21 . update author 'modify the sequence' 6233 2 . . 2004-11-29 . original author 'original release' 6233 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 6233 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Chemical shift assignments of the (poly)ubiquitin-binding region of the proteasome subunit S5a ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 231 _Citation.Page_last 232 _Citation.Year 2004 _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 Qinghua Wang . . . 6233 1 2 Kylie Walters . J. . 6233 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID (poly)ubiquitin-binding 6233 1 S5a 6233 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6233 _Assembly.ID 1 _Assembly.Name '(poly)ubiquitin-binding region of the proteasome subunit S5a' _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 'not present' _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 6233 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 S5a 1 $S5a . . . native . . . . . 6233 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID '(poly)ubiquitin-binding region of the proteasome subunit S5a' system 6233 1 S5a abbreviation 6233 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S5a _Entity.Sf_category entity _Entity.Sf_framecode S5a _Entity.Entry_ID 6233 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '(poly)ubiquitin-binding region of S5a' _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 ; MLGLGASDFEFGVDPSADPE LALALRVSMEEQRQRQEEEA RRAAAASAAEAGIATTGTED SDDALLKMTISQQEFGRTGL PDLSSMTEEEQIAYAMQMSL QGAEFGQAESA ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1YX4 . "Structure Of S5a Bound To Monoubiquitin Provides A Model For Polyubiquitin Recognition" . . . . . 100.00 132 100.00 100.00 2.20e-70 . . . . 6233 1 2 no PDB 1YX5 . "Solution Structure Of S5a Uim-1UBIQUITIN COMPLEX" . . . . . 100.00 132 100.00 100.00 2.20e-70 . . . . 6233 1 3 no PDB 1YX6 . "Solution Structure Of S5a Uim-2UBIQUITIN COMPLEX" . . . . . 100.00 132 100.00 100.00 2.20e-70 . . . . 6233 1 4 no PDB 2KDE . "Nmr Structure Of Major S5a (196-306):k48 Linked Diubiquitin Species" . . . . . 100.00 111 100.00 100.00 4.68e-69 . . . . 6233 1 5 no PDB 2KDF . "Nmr Structure Of Minor S5a (196-306):k48 Linked Diubiquitin Species" . . . . . 100.00 111 100.00 100.00 4.68e-69 . . . . 6233 1 6 no DBJ BAA97576 . "pUb-R4 [Mus musculus]" . . . . . 91.89 349 97.06 98.04 3.44e-59 . . . . 6233 1 7 no DBJ BAA97577 . "pUb-R5 [Mus musculus]" . . . . . 53.15 260 98.31 98.31 2.27e-28 . . . . 6233 1 8 no DBJ BAA97581 . "pUb-R5 [Homo sapiens]" . . . . . 53.15 268 100.00 100.00 3.20e-29 . . . . 6233 1 9 no DBJ BAI45716 . "proteasome (prosome, macropain) 26S subunit, non-ATPase, 4 [synthetic construct]" . . . . . 100.00 377 100.00 100.00 1.56e-67 . . . . 6233 1 10 no GB AAB54057 . "antisecretory factor-1 [Homo sapiens]" . . . . . 100.00 377 100.00 100.00 1.56e-67 . . . . 6233 1 11 no GB AAB68598 . "5Sa/antisecretory factor protein, partial [Homo sapiens]" . . . . . 100.00 308 100.00 100.00 5.22e-68 . . . . 6233 1 12 no GB AAC50433 . "26S protease subunit S5a [Homo sapiens]" . . . . . 100.00 377 100.00 100.00 1.56e-67 . . . . 6233 1 13 no GB AAG09200 . "26S proteasome subunit S5a [Rattus norvegicus]" . . . . . 99.10 377 98.18 98.18 3.63e-65 . . . . 6233 1 14 no GB AAH02365 . "Proteasome (prosome, macropain) 26S subunit, non-ATPase, 4 [Homo sapiens]" . . . . . 100.00 377 100.00 100.00 1.56e-67 . . . . 6233 1 15 no PRF 2207223A . "26S proteasome:SUBUNIT=5a" . . . . . 100.00 377 99.10 99.10 1.07e-66 . . . . 6233 1 16 no REF NP_001013616 . "26S proteasome non-ATPase regulatory subunit 4 [Bos taurus]" . . . . . 100.00 382 99.10 99.10 1.54e-66 . . . . 6233 1 17 no REF NP_001038000 . "26S proteasome non-ATPase regulatory subunit 4 [Sus scrofa]" . . . . . 100.00 377 100.00 100.00 1.56e-67 . . . . 6233 1 18 no REF NP_001098398 . "26S proteasome non-ATPase regulatory subunit 4 [Ovis aries]" . . . . . 100.00 377 100.00 100.00 1.68e-67 . . . . 6233 1 19 no REF NP_001130032 . "26S proteasome non-ATPase regulatory subunit 4 [Monodelphis domestica]" . . . . . 99.10 377 97.27 99.09 9.25e-65 . . . . 6233 1 20 no REF NP_001130036 . "26S proteasome non-ATPase regulatory subunit 4 [Canis lupus familiaris]" . . . . . 100.00 377 97.30 98.20 4.09e-65 . . . . 6233 1 21 no SP P55036 . "RecName: Full=26S proteasome non-ATPase regulatory subunit 4; AltName: Full=26S proteasome regulatory subunit RPN10; AltName: F" . . . . . 100.00 377 100.00 100.00 1.56e-67 . . . . 6233 1 22 no SP Q58DA0 . "RecName: Full=26S proteasome non-ATPase regulatory subunit 4; AltName: Full=26S proteasome regulatory subunit RPN10 [Bos taurus" . . . . . 100.00 382 99.10 99.10 1.54e-66 . . . . 6233 1 23 no TPG DAA31643 . "TPA: 26S proteasome non-ATPase regulatory subunit 4 [Bos taurus]" . . . . . 100.00 382 99.10 99.10 1.54e-66 . . . . 6233 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '(poly)ubiquitin-binding region of S5a' common 6233 1 S5a abbreviation 6233 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 196 MET . 6233 1 2 197 LEU . 6233 1 3 198 GLY . 6233 1 4 199 LEU . 6233 1 5 200 GLY . 6233 1 6 201 ALA . 6233 1 7 202 SER . 6233 1 8 203 ASP . 6233 1 9 204 PHE . 6233 1 10 205 GLU . 6233 1 11 206 PHE . 6233 1 12 207 GLY . 6233 1 13 208 VAL . 6233 1 14 209 ASP . 6233 1 15 210 PRO . 6233 1 16 211 SER . 6233 1 17 212 ALA . 6233 1 18 213 ASP . 6233 1 19 214 PRO . 6233 1 20 215 GLU . 6233 1 21 216 LEU . 6233 1 22 217 ALA . 6233 1 23 218 LEU . 6233 1 24 219 ALA . 6233 1 25 220 LEU . 6233 1 26 221 ARG . 6233 1 27 222 VAL . 6233 1 28 223 SER . 6233 1 29 224 MET . 6233 1 30 225 GLU . 6233 1 31 226 GLU . 6233 1 32 227 GLN . 6233 1 33 228 ARG . 6233 1 34 229 GLN . 6233 1 35 230 ARG . 6233 1 36 231 GLN . 6233 1 37 232 GLU . 6233 1 38 233 GLU . 6233 1 39 234 GLU . 6233 1 40 235 ALA . 6233 1 41 236 ARG . 6233 1 42 237 ARG . 6233 1 43 238 ALA . 6233 1 44 239 ALA . 6233 1 45 240 ALA . 6233 1 46 241 ALA . 6233 1 47 242 SER . 6233 1 48 243 ALA . 6233 1 49 244 ALA . 6233 1 50 245 GLU . 6233 1 51 246 ALA . 6233 1 52 247 GLY . 6233 1 53 248 ILE . 6233 1 54 249 ALA . 6233 1 55 250 THR . 6233 1 56 251 THR . 6233 1 57 252 GLY . 6233 1 58 253 THR . 6233 1 59 254 GLU . 6233 1 60 255 ASP . 6233 1 61 256 SER . 6233 1 62 257 ASP . 6233 1 63 258 ASP . 6233 1 64 259 ALA . 6233 1 65 260 LEU . 6233 1 66 261 LEU . 6233 1 67 262 LYS . 6233 1 68 263 MET . 6233 1 69 264 THR . 6233 1 70 265 ILE . 6233 1 71 266 SER . 6233 1 72 267 GLN . 6233 1 73 268 GLN . 6233 1 74 269 GLU . 6233 1 75 270 PHE . 6233 1 76 271 GLY . 6233 1 77 272 ARG . 6233 1 78 273 THR . 6233 1 79 274 GLY . 6233 1 80 275 LEU . 6233 1 81 276 PRO . 6233 1 82 277 ASP . 6233 1 83 278 LEU . 6233 1 84 279 SER . 6233 1 85 280 SER . 6233 1 86 281 MET . 6233 1 87 282 THR . 6233 1 88 283 GLU . 6233 1 89 284 GLU . 6233 1 90 285 GLU . 6233 1 91 286 GLN . 6233 1 92 287 ILE . 6233 1 93 288 ALA . 6233 1 94 289 TYR . 6233 1 95 290 ALA . 6233 1 96 291 MET . 6233 1 97 292 GLN . 6233 1 98 293 MET . 6233 1 99 294 SER . 6233 1 100 295 LEU . 6233 1 101 296 GLN . 6233 1 102 297 GLY . 6233 1 103 298 ALA . 6233 1 104 299 GLU . 6233 1 105 300 PHE . 6233 1 106 301 GLY . 6233 1 107 302 GLN . 6233 1 108 303 ALA . 6233 1 109 304 GLU . 6233 1 110 305 SER . 6233 1 111 306 ALA . 6233 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 6233 1 . LEU 2 2 6233 1 . GLY 3 3 6233 1 . LEU 4 4 6233 1 . GLY 5 5 6233 1 . ALA 6 6 6233 1 . SER 7 7 6233 1 . ASP 8 8 6233 1 . PHE 9 9 6233 1 . GLU 10 10 6233 1 . PHE 11 11 6233 1 . GLY 12 12 6233 1 . VAL 13 13 6233 1 . ASP 14 14 6233 1 . PRO 15 15 6233 1 . SER 16 16 6233 1 . ALA 17 17 6233 1 . ASP 18 18 6233 1 . PRO 19 19 6233 1 . GLU 20 20 6233 1 . LEU 21 21 6233 1 . ALA 22 22 6233 1 . LEU 23 23 6233 1 . ALA 24 24 6233 1 . LEU 25 25 6233 1 . ARG 26 26 6233 1 . VAL 27 27 6233 1 . SER 28 28 6233 1 . MET 29 29 6233 1 . GLU 30 30 6233 1 . GLU 31 31 6233 1 . GLN 32 32 6233 1 . ARG 33 33 6233 1 . GLN 34 34 6233 1 . ARG 35 35 6233 1 . GLN 36 36 6233 1 . GLU 37 37 6233 1 . GLU 38 38 6233 1 . GLU 39 39 6233 1 . ALA 40 40 6233 1 . ARG 41 41 6233 1 . ARG 42 42 6233 1 . ALA 43 43 6233 1 . ALA 44 44 6233 1 . ALA 45 45 6233 1 . ALA 46 46 6233 1 . SER 47 47 6233 1 . ALA 48 48 6233 1 . ALA 49 49 6233 1 . GLU 50 50 6233 1 . ALA 51 51 6233 1 . GLY 52 52 6233 1 . ILE 53 53 6233 1 . ALA 54 54 6233 1 . THR 55 55 6233 1 . THR 56 56 6233 1 . GLY 57 57 6233 1 . THR 58 58 6233 1 . GLU 59 59 6233 1 . ASP 60 60 6233 1 . SER 61 61 6233 1 . ASP 62 62 6233 1 . ASP 63 63 6233 1 . ALA 64 64 6233 1 . LEU 65 65 6233 1 . LEU 66 66 6233 1 . LYS 67 67 6233 1 . MET 68 68 6233 1 . THR 69 69 6233 1 . ILE 70 70 6233 1 . SER 71 71 6233 1 . GLN 72 72 6233 1 . GLN 73 73 6233 1 . GLU 74 74 6233 1 . PHE 75 75 6233 1 . GLY 76 76 6233 1 . ARG 77 77 6233 1 . THR 78 78 6233 1 . GLY 79 79 6233 1 . LEU 80 80 6233 1 . PRO 81 81 6233 1 . ASP 82 82 6233 1 . LEU 83 83 6233 1 . SER 84 84 6233 1 . SER 85 85 6233 1 . MET 86 86 6233 1 . THR 87 87 6233 1 . GLU 88 88 6233 1 . GLU 89 89 6233 1 . GLU 90 90 6233 1 . GLN 91 91 6233 1 . ILE 92 92 6233 1 . ALA 93 93 6233 1 . TYR 94 94 6233 1 . ALA 95 95 6233 1 . MET 96 96 6233 1 . GLN 97 97 6233 1 . MET 98 98 6233 1 . SER 99 99 6233 1 . LEU 100 100 6233 1 . GLN 101 101 6233 1 . GLY 102 102 6233 1 . ALA 103 103 6233 1 . GLU 104 104 6233 1 . PHE 105 105 6233 1 . GLY 106 106 6233 1 . GLN 107 107 6233 1 . ALA 108 108 6233 1 . GLU 109 109 6233 1 . SER 110 110 6233 1 . ALA 111 111 6233 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 6233 _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 $S5a . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6233 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 6233 _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 $S5a . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli pET . . . . . . . . . . . . . . . . . . . . . . 6233 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Sample.Sf_category sample _Sample.Sf_framecode sample1 _Sample.Entry_ID 6233 _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 '(poly)ubiquitin-binding region of S5a' '[U-13C; U-15N]' . . 1 $S5a . . 0.35 . . mM . . . . 6233 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 6233 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 6233 1 temperature 298 . K 6233 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer1 _NMR_spectrometer.Entry_ID 6233 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer2 _NMR_spectrometer.Entry_ID 6233 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6233 _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 spectrometer1 Varian INOVA . 800 . . . 6233 1 2 spectrometer2 Varian INOVA . 600 . . . 6233 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 6233 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HNCA . . . . . . . . . . . 1 $sample1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6233 1 2 HNCO . . . . . . . . . . . 1 $sample1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6233 1 3 TOCSY-15N-HSQC . . . . . . . . . . . 1 $sample1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6233 1 4 15N-HSQC . . . . . . . . . . . 1 $sample1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6233 1 5 15-NOESY . . . . . . . . . . . 1 $sample1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6233 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6233 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6233 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6233 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name TOCSY-15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6233 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6233 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 15-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_ref_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_ref_1 _Chem_shift_reference.Entry_ID 6233 _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 TSP 'methyl protons' . . . . ppm 0.00 external direct 1.0 external cylindrical parallel 1 $citation1 . . 1 $citation1 6233 1 C 13 TSP 'methyl protons' . . . . ppm 0.00 external indirect 0.25146 external cylindrical parallel 1 $citation1 . . 1 $citation1 6233 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 external indirect 0.10134 external cylindrical parallel 1 $citation1 . . 1 $citation1 6233 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shfit_list1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shfit_list1 _Assigned_chem_shift_list.Entry_ID 6233 _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_ref_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample1 . 6233 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.224 0.001 . 1 . . . . . . . . 6233 1 2 . 1 1 1 1 MET N N 15 121.226 0.000 . 1 . . . . . . . . 6233 1 3 . 1 1 1 1 MET CA C 13 55.799 0.000 . 1 . . . . . . . . 6233 1 4 . 1 1 1 1 MET HA H 1 4.444 0.003 . 1 . . . . . . . . 6233 1 5 . 1 1 1 1 MET C C 13 175.040 0.000 . 1 . . . . . . . . 6233 1 6 . 1 1 1 1 MET CB C 13 32.853 0.000 . 1 . . . . . . . . 6233 1 7 . 1 1 1 1 MET HB2 H 1 1.961 0.000 . 1 . . . . . . . . 6233 1 8 . 1 1 1 1 MET HB3 H 1 2.059 0.007 . 1 . . . . . . . . 6233 1 9 . 1 1 1 1 MET CG C 13 32.174 0.000 . 1 . . . . . . . . 6233 1 10 . 1 1 1 1 MET HG2 H 1 2.390 0.002 . 1 . . . . . . . . 6233 1 11 . 1 1 1 1 MET HG3 H 1 2.490 0.004 . 1 . . . . . . . . 6233 1 12 . 1 1 1 1 MET CE C 13 17.104 0.000 . 1 . . . . . . . . 6233 1 13 . 1 1 1 1 MET HE1 H 1 2.045 0.000 . 1 . . . . . . . . 6233 1 14 . 1 1 1 1 MET HE2 H 1 2.045 0.000 . 1 . . . . . . . . 6233 1 15 . 1 1 1 1 MET HE3 H 1 2.045 0.000 . 1 . . . . . . . . 6233 1 16 . 1 1 2 2 LEU H H 1 8.202 0.002 . 1 . . . . . . . . 6233 1 17 . 1 1 2 2 LEU N N 15 122.454 0.000 . 1 . . . . . . . . 6233 1 18 . 1 1 2 2 LEU CA C 13 55.415 0.000 . 1 . . . . . . . . 6233 1 19 . 1 1 2 2 LEU HA H 1 4.334 0.006 . 1 . . . . . . . . 6233 1 20 . 1 1 2 2 LEU C C 13 178.755 0.007 . 1 . . . . . . . . 6233 1 21 . 1 1 2 2 LEU CB C 13 42.493 0.000 . 1 . . . . . . . . 6233 1 22 . 1 1 2 2 LEU HB2 H 1 1.593 0.004 . 1 . . . . . . . . 6233 1 23 . 1 1 2 2 LEU HB3 H 1 1.661 0.004 . 1 . . . . . . . . 6233 1 24 . 1 1 2 2 LEU CD1 C 13 23.485 0.000 . 1 . . . . . . . . 6233 1 25 . 1 1 2 2 LEU HD11 H 1 0.846 0.006 . 1 . . . . . . . . 6233 1 26 . 1 1 2 2 LEU HD12 H 1 0.846 0.006 . 1 . . . . . . . . 6233 1 27 . 1 1 2 2 LEU HD13 H 1 0.846 0.006 . 1 . . . . . . . . 6233 1 28 . 1 1 2 2 LEU CD2 C 13 25.114 0.000 . 1 . . . . . . . . 6233 1 29 . 1 1 2 2 LEU HD21 H 1 0.907 0.002 . 1 . . . . . . . . 6233 1 30 . 1 1 2 2 LEU HD22 H 1 0.907 0.002 . 1 . . . . . . . . 6233 1 31 . 1 1 2 2 LEU HD23 H 1 0.907 0.002 . 1 . . . . . . . . 6233 1 32 . 1 1 3 3 GLY H H 1 8.352 0.003 . 1 . . . . . . . . 6233 1 33 . 1 1 3 3 GLY N N 15 109.165 0.000 . 1 . . . . . . . . 6233 1 34 . 1 1 3 3 GLY CA C 13 45.330 0.000 . 1 . . . . . . . . 6233 1 35 . 1 1 3 3 GLY HA2 H 1 3.936 0.005 . 1 . . . . . . . . 6233 1 36 . 1 1 3 3 GLY C C 13 170.998 0.000 . 1 . . . . . . . . 6233 1 37 . 1 1 4 4 LEU H H 1 8.082 0.002 . 1 . . . . . . . . 6233 1 38 . 1 1 4 4 LEU N N 15 121.424 0.000 . 1 . . . . . . . . 6233 1 39 . 1 1 4 4 LEU CA C 13 55.347 0.000 . 1 . . . . . . . . 6233 1 40 . 1 1 4 4 LEU HA H 1 4.340 0.008 . 1 . . . . . . . . 6233 1 41 . 1 1 4 4 LEU C C 13 179.258 0.019 . 1 . . . . . . . . 6233 1 42 . 1 1 4 4 LEU CB C 13 42.493 0.000 . 1 . . . . . . . . 6233 1 43 . 1 1 4 4 LEU HB2 H 1 1.625 0.001 . 1 . . . . . . . . 6233 1 44 . 1 1 4 4 LEU CD1 C 13 23.485 0.000 . 1 . . . . . . . . 6233 1 45 . 1 1 4 4 LEU HD11 H 1 0.871 0.000 . 1 . . . . . . . . 6233 1 46 . 1 1 4 4 LEU HD12 H 1 0.871 0.000 . 1 . . . . . . . . 6233 1 47 . 1 1 4 4 LEU HD13 H 1 0.871 0.000 . 1 . . . . . . . . 6233 1 48 . 1 1 4 4 LEU CD2 C 13 25.114 0.000 . 1 . . . . . . . . 6233 1 49 . 1 1 4 4 LEU HD21 H 1 0.905 0.000 . 1 . . . . . . . . 6233 1 50 . 1 1 4 4 LEU HD22 H 1 0.905 0.000 . 1 . . . . . . . . 6233 1 51 . 1 1 4 4 LEU HD23 H 1 0.905 0.000 . 1 . . . . . . . . 6233 1 52 . 1 1 5 5 GLY H H 1 8.535 0.002 . 1 . . . . . . . . 6233 1 53 . 1 1 5 5 GLY N N 15 109.802 0.000 . 1 . . . . . . . . 6233 1 54 . 1 1 5 5 GLY CA C 13 45.168 0.000 . 1 . . . . . . . . 6233 1 55 . 1 1 5 5 GLY HA2 H 1 3.937 0.000 . 1 . . . . . . . . 6233 1 56 . 1 1 5 5 GLY C C 13 170.434 0.009 . 1 . . . . . . . . 6233 1 57 . 1 1 6 6 ALA H H 1 8.118 0.001 . 1 . . . . . . . . 6233 1 58 . 1 1 6 6 ALA N N 15 123.478 0.000 . 1 . . . . . . . . 6233 1 59 . 1 1 6 6 ALA CA C 13 52.818 0.000 . 1 . . . . . . . . 6233 1 60 . 1 1 6 6 ALA HA H 1 4.321 0.005 . 1 . . . . . . . . 6233 1 61 . 1 1 6 6 ALA C C 13 179.419 0.004 . 1 . . . . . . . . 6233 1 62 . 1 1 6 6 ALA CB C 13 19.548 0.000 . 1 . . . . . . . . 6233 1 63 . 1 1 6 6 ALA HB1 H 1 1.389 0.004 . 1 . . . . . . . . 6233 1 64 . 1 1 6 6 ALA HB2 H 1 1.389 0.004 . 1 . . . . . . . . 6233 1 65 . 1 1 6 6 ALA HB3 H 1 1.389 0.004 . 1 . . . . . . . . 6233 1 66 . 1 1 7 7 SER H H 1 8.289 0.002 . 1 . . . . . . . . 6233 1 67 . 1 1 7 7 SER N N 15 114.265 0.000 . 1 . . . . . . . . 6233 1 68 . 1 1 7 7 SER CA C 13 58.520 0.000 . 1 . . . . . . . . 6233 1 69 . 1 1 7 7 SER HA H 1 4.422 0.002 . 1 . . . . . . . . 6233 1 70 . 1 1 7 7 SER C C 13 171.092 0.009 . 1 . . . . . . . . 6233 1 71 . 1 1 7 7 SER CB C 13 63.823 0.011 . 1 . . . . . . . . 6233 1 72 . 1 1 7 7 SER HB2 H 1 3.796 0.004 . 1 . . . . . . . . 6233 1 73 . 1 1 7 7 SER HB3 H 1 3.856 0.002 . 1 . . . . . . . . 6233 1 74 . 1 1 8 8 ASP H H 1 8.189 0.002 . 1 . . . . . . . . 6233 1 75 . 1 1 8 8 ASP N N 15 121.609 0.000 . 1 . . . . . . . . 6233 1 76 . 1 1 8 8 ASP CA C 13 54.675 0.000 . 1 . . . . . . . . 6233 1 77 . 1 1 8 8 ASP HA H 1 4.548 0.005 . 1 . . . . . . . . 6233 1 78 . 1 1 8 8 ASP C C 13 174.674 0.004 . 1 . . . . . . . . 6233 1 79 . 1 1 8 8 ASP CB C 13 41.271 0.000 . 1 . . . . . . . . 6233 1 80 . 1 1 8 8 ASP HB2 H 1 2.510 0.003 . 1 . . . . . . . . 6233 1 81 . 1 1 8 8 ASP HB3 H 1 2.578 0.005 . 1 . . . . . . . . 6233 1 82 . 1 1 9 9 PHE H H 1 7.976 0.002 . 1 . . . . . . . . 6233 1 83 . 1 1 9 9 PHE N N 15 119.372 0.000 . 1 . . . . . . . . 6233 1 84 . 1 1 9 9 PHE CA C 13 57.793 0.000 . 1 . . . . . . . . 6233 1 85 . 1 1 9 9 PHE HA H 1 4.550 0.005 . 1 . . . . . . . . 6233 1 86 . 1 1 9 9 PHE C C 13 174.267 0.006 . 1 . . . . . . . . 6233 1 87 . 1 1 9 9 PHE CB C 13 39.778 0.000 . 1 . . . . . . . . 6233 1 88 . 1 1 9 9 PHE HB2 H 1 2.915 0.003 . 1 . . . . . . . . 6233 1 89 . 1 1 9 9 PHE HB3 H 1 3.056 0.004 . 1 . . . . . . . . 6233 1 90 . 1 1 9 9 PHE HD1 H 1 7.162 0.004 . 1 . . . . . . . . 6233 1 91 . 1 1 9 9 PHE HE1 H 1 7.256 0.001 . 1 . . . . . . . . 6233 1 92 . 1 1 10 10 GLU H H 1 8.191 0.001 . 1 . . . . . . . . 6233 1 93 . 1 1 10 10 GLU N N 15 122.413 0.012 . 1 . . . . . . . . 6233 1 94 . 1 1 10 10 GLU CA C 13 56.750 0.000 . 1 . . . . . . . . 6233 1 95 . 1 1 10 10 GLU HA H 1 4.155 0.006 . 1 . . . . . . . . 6233 1 96 . 1 1 10 10 GLU C C 13 174.934 0.017 . 1 . . . . . . . . 6233 1 97 . 1 1 10 10 GLU CB C 13 27.422 0.000 . 1 . . . . . . . . 6233 1 98 . 1 1 10 10 GLU HB2 H 1 1.817 0.003 . 1 . . . . . . . . 6233 1 99 . 1 1 10 10 GLU CG C 13 36.248 0.000 . 1 . . . . . . . . 6233 1 100 . 1 1 10 10 GLU HG2 H 1 1.977 0.002 . 1 . . . . . . . . 6233 1 101 . 1 1 10 10 GLU HG3 H 1 2.068 0.005 . 1 . . . . . . . . 6233 1 102 . 1 1 11 11 PHE H H 1 8.151 0.003 . 1 . . . . . . . . 6233 1 103 . 1 1 11 11 PHE N N 15 120.233 0.000 . 1 . . . . . . . . 6233 1 104 . 1 1 11 11 PHE CA C 13 58.096 0.000 . 1 . . . . . . . . 6233 1 105 . 1 1 11 11 PHE HA H 1 4.563 0.007 . 1 . . . . . . . . 6233 1 106 . 1 1 11 11 PHE C C 13 175.518 0.002 . 1 . . . . . . . . 6233 1 107 . 1 1 11 11 PHE CB C 13 39.506 0.000 . 1 . . . . . . . . 6233 1 108 . 1 1 11 11 PHE HB2 H 1 3.034 0.007 . 1 . . . . . . . . 6233 1 109 . 1 1 11 11 PHE HB3 H 1 3.196 0.003 . 1 . . . . . . . . 6233 1 110 . 1 1 11 11 PHE HD1 H 1 7.256 0.004 . 1 . . . . . . . . 6233 1 111 . 1 1 11 11 PHE HE1 H 1 7.296 0.000 . 1 . . . . . . . . 6233 1 112 . 1 1 12 12 GLY H H 1 8.242 0.001 . 1 . . . . . . . . 6233 1 113 . 1 1 12 12 GLY N N 15 109.877 0.000 . 1 . . . . . . . . 6233 1 114 . 1 1 12 12 GLY CA C 13 45.332 0.000 . 1 . . . . . . . . 6233 1 115 . 1 1 12 12 GLY HA2 H 1 3.905 0.007 . 1 . . . . . . . . 6233 1 116 . 1 1 12 12 GLY C C 13 169.725 0.000 . 1 . . . . . . . . 6233 1 117 . 1 1 13 13 VAL H H 1 7.772 0.002 . 1 . . . . . . . . 6233 1 118 . 1 1 13 13 VAL N N 15 118.731 0.000 . 1 . . . . . . . . 6233 1 119 . 1 1 13 13 VAL CA C 13 61.733 0.000 . 1 . . . . . . . . 6233 1 120 . 1 1 13 13 VAL HA H 1 4.120 0.003 . 1 . . . . . . . . 6233 1 121 . 1 1 13 13 VAL C C 13 173.316 0.000 . 1 . . . . . . . . 6233 1 122 . 1 1 13 13 VAL CB C 13 33.396 0.000 . 1 . . . . . . . . 6233 1 123 . 1 1 13 13 VAL HB H 1 2.012 0.004 . 1 . . . . . . . . 6233 1 124 . 1 1 13 13 VAL CG1 C 13 20.769 0.000 . 1 . . . . . . . . 6233 1 125 . 1 1 13 13 VAL HG11 H 1 0.873 0.002 . 1 . . . . . . . . 6233 1 126 . 1 1 13 13 VAL HG12 H 1 0.873 0.002 . 1 . . . . . . . . 6233 1 127 . 1 1 13 13 VAL HG13 H 1 0.873 0.002 . 1 . . . . . . . . 6233 1 128 . 1 1 13 13 VAL CG2 C 13 21.313 0.000 . 1 . . . . . . . . 6233 1 129 . 1 1 13 13 VAL HG21 H 1 0.868 0.001 . 1 . . . . . . . . 6233 1 130 . 1 1 13 13 VAL HG22 H 1 0.868 0.001 . 1 . . . . . . . . 6233 1 131 . 1 1 13 13 VAL HG23 H 1 0.868 0.001 . 1 . . . . . . . . 6233 1 132 . 1 1 14 14 ASP H H 1 8.442 0.003 . 1 . . . . . . . . 6233 1 133 . 1 1 14 14 ASP N N 15 125.666 0.000 . 1 . . . . . . . . 6233 1 134 . 1 1 14 14 ASP CA C 13 51.597 0.000 . 1 . . . . . . . . 6233 1 135 . 1 1 14 14 ASP HA H 1 4.782 0.003 . 1 . . . . . . . . 6233 1 136 . 1 1 14 14 ASP C C 13 173.352 0.000 . 1 . . . . . . . . 6233 1 137 . 1 1 14 14 ASP CB C 13 41.679 0.000 . 1 . . . . . . . . 6233 1 138 . 1 1 14 14 ASP HB2 H 1 2.531 0.006 . 1 . . . . . . . . 6233 1 139 . 1 1 14 14 ASP HB3 H 1 2.792 0.012 . 1 . . . . . . . . 6233 1 140 . 1 1 15 15 PRO CA C 13 64.081 0.000 . 1 . . . . . . . . 6233 1 141 . 1 1 15 15 PRO HA H 1 4.364 0.005 . 1 . . . . . . . . 6233 1 142 . 1 1 15 15 PRO C C 13 177.659 0.000 . 1 . . . . . . . . 6233 1 143 . 1 1 15 15 PRO CB C 13 32.174 0.000 . 1 . . . . . . . . 6233 1 144 . 1 1 15 15 PRO HB2 H 1 1.993 0.000 . 1 . . . . . . . . 6233 1 145 . 1 1 15 15 PRO HB3 H 1 2.253 0.003 . 1 . . . . . . . . 6233 1 146 . 1 1 15 15 PRO CG C 13 27.287 0.000 . 1 . . . . . . . . 6233 1 147 . 1 1 15 15 PRO HG2 H 1 1.995 0.006 . 1 . . . . . . . . 6233 1 148 . 1 1 15 15 PRO CD C 13 51.075 0.003 . 1 . . . . . . . . 6233 1 149 . 1 1 15 15 PRO HD2 H 1 3.831 0.002 . 1 . . . . . . . . 6233 1 150 . 1 1 15 15 PRO HD3 H 1 3.913 0.004 . 1 . . . . . . . . 6233 1 151 . 1 1 16 16 SER H H 1 8.347 0.005 . 1 . . . . . . . . 6233 1 152 . 1 1 16 16 SER N N 15 114.058 0.000 . 1 . . . . . . . . 6233 1 153 . 1 1 16 16 SER CA C 13 59.216 0.000 . 1 . . . . . . . . 6233 1 154 . 1 1 16 16 SER HA H 1 4.349 0.003 . 1 . . . . . . . . 6233 1 155 . 1 1 16 16 SER C C 13 171.300 0.000 . 1 . . . . . . . . 6233 1 156 . 1 1 16 16 SER CB C 13 63.674 0.000 . 1 . . . . . . . . 6233 1 157 . 1 1 16 16 SER HB2 H 1 3.865 0.002 . 1 . . . . . . . . 6233 1 158 . 1 1 16 16 SER HB3 H 1 3.915 0.005 . 1 . . . . . . . . 6233 1 159 . 1 1 17 17 ALA H H 1 7.769 0.002 . 1 . . . . . . . . 6233 1 160 . 1 1 17 17 ALA N N 15 124.900 0.000 . 1 . . . . . . . . 6233 1 161 . 1 1 17 17 ALA CA C 13 52.348 0.000 . 1 . . . . . . . . 6233 1 162 . 1 1 17 17 ALA HA H 1 4.332 0.004 . 1 . . . . . . . . 6233 1 163 . 1 1 17 17 ALA C C 13 177.426 0.016 . 1 . . . . . . . . 6233 1 164 . 1 1 17 17 ALA CB C 13 19.548 0.000 . 1 . . . . . . . . 6233 1 165 . 1 1 17 17 ALA HB1 H 1 1.405 0.003 . 1 . . . . . . . . 6233 1 166 . 1 1 17 17 ALA HB2 H 1 1.405 0.003 . 1 . . . . . . . . 6233 1 167 . 1 1 17 17 ALA HB3 H 1 1.405 0.003 . 1 . . . . . . . . 6233 1 168 . 1 1 18 18 ASP H H 1 8.006 0.003 . 1 . . . . . . . . 6233 1 169 . 1 1 18 18 ASP N N 15 120.262 0.016 . 1 . . . . . . . . 6233 1 170 . 1 1 18 18 ASP CA C 13 52.201 0.000 . 1 . . . . . . . . 6233 1 171 . 1 1 18 18 ASP HA H 1 4.872 0.004 . 1 . . . . . . . . 6233 1 172 . 1 1 18 18 ASP C C 13 172.463 0.000 . 1 . . . . . . . . 6233 1 173 . 1 1 18 18 ASP CB C 13 41.814 0.000 . 1 . . . . . . . . 6233 1 174 . 1 1 18 18 ASP HB2 H 1 2.593 0.004 . 1 . . . . . . . . 6233 1 175 . 1 1 18 18 ASP HB3 H 1 2.844 0.004 . 1 . . . . . . . . 6233 1 176 . 1 1 19 19 PRO CA C 13 64.726 0.000 . 1 . . . . . . . . 6233 1 177 . 1 1 19 19 PRO HA H 1 4.372 0.004 . 1 . . . . . . . . 6233 1 178 . 1 1 19 19 PRO C C 13 180.972 0.000 . 1 . . . . . . . . 6233 1 179 . 1 1 19 19 PRO CB C 13 32.310 0.000 . 1 . . . . . . . . 6233 1 180 . 1 1 19 19 PRO HB2 H 1 2.002 0.003 . 1 . . . . . . . . 6233 1 181 . 1 1 19 19 PRO HB3 H 1 2.365 0.004 . 1 . . . . . . . . 6233 1 182 . 1 1 19 19 PRO CG C 13 27.287 0.000 . 1 . . . . . . . . 6233 1 183 . 1 1 19 19 PRO HG2 H 1 2.083 0.004 . 1 . . . . . . . . 6233 1 184 . 1 1 19 19 PRO CD C 13 51.183 0.000 . 1 . . . . . . . . 6233 1 185 . 1 1 19 19 PRO HD2 H 1 3.887 0.010 . 1 . . . . . . . . 6233 1 186 . 1 1 20 20 GLU H H 1 8.414 0.002 . 1 . . . . . . . . 6233 1 187 . 1 1 20 20 GLU N N 15 118.584 0.000 . 1 . . . . . . . . 6233 1 188 . 1 1 20 20 GLU CA C 13 58.501 0.000 . 1 . . . . . . . . 6233 1 189 . 1 1 20 20 GLU HA H 1 4.160 0.002 . 1 . . . . . . . . 6233 1 190 . 1 1 20 20 GLU C C 13 180.624 0.000 . 1 . . . . . . . . 6233 1 191 . 1 1 20 20 GLU CB C 13 29.459 0.000 . 1 . . . . . . . . 6233 1 192 . 1 1 20 20 GLU HB2 H 1 2.079 0.004 . 1 . . . . . . . . 6233 1 193 . 1 1 20 20 GLU CG C 13 36.791 0.000 . 1 . . . . . . . . 6233 1 194 . 1 1 20 20 GLU HG2 H 1 2.272 0.004 . 1 . . . . . . . . 6233 1 195 . 1 1 20 20 GLU HG3 H 1 2.360 0.003 . 1 . . . . . . . . 6233 1 196 . 1 1 21 21 LEU H H 1 7.784 0.002 . 1 . . . . . . . . 6233 1 197 . 1 1 21 21 LEU N N 15 122.044 0.001 . 1 . . . . . . . . 6233 1 198 . 1 1 21 21 LEU CA C 13 56.618 0.000 . 1 . . . . . . . . 6233 1 199 . 1 1 21 21 LEU HA H 1 4.238 0.003 . 1 . . . . . . . . 6233 1 200 . 1 1 21 21 LEU C C 13 180.020 0.005 . 1 . . . . . . . . 6233 1 201 . 1 1 21 21 LEU CB C 13 41.950 0.000 . 1 . . . . . . . . 6233 1 202 . 1 1 21 21 LEU HB2 H 1 1.658 0.014 . 1 . . . . . . . . 6233 1 203 . 1 1 21 21 LEU HB3 H 1 1.720 0.006 . 1 . . . . . . . . 6233 1 204 . 1 1 21 21 LEU CD1 C 13 24.164 0.000 . 1 . . . . . . . . 6233 1 205 . 1 1 21 21 LEU HD11 H 1 0.883 0.008 . 1 . . . . . . . . 6233 1 206 . 1 1 21 21 LEU HD12 H 1 0.883 0.008 . 1 . . . . . . . . 6233 1 207 . 1 1 21 21 LEU HD13 H 1 0.883 0.008 . 1 . . . . . . . . 6233 1 208 . 1 1 21 21 LEU CD2 C 13 24.571 0.000 . 1 . . . . . . . . 6233 1 209 . 1 1 21 21 LEU HD21 H 1 0.957 0.004 . 1 . . . . . . . . 6233 1 210 . 1 1 21 21 LEU HD22 H 1 0.957 0.004 . 1 . . . . . . . . 6233 1 211 . 1 1 21 21 LEU HD23 H 1 0.957 0.004 . 1 . . . . . . . . 6233 1 212 . 1 1 22 22 ALA H H 1 8.046 0.002 . 1 . . . . . . . . 6233 1 213 . 1 1 22 22 ALA N N 15 121.763 0.000 . 1 . . . . . . . . 6233 1 214 . 1 1 22 22 ALA CA C 13 54.490 0.000 . 1 . . . . . . . . 6233 1 215 . 1 1 22 22 ALA HA H 1 4.104 0.003 . 1 . . . . . . . . 6233 1 216 . 1 1 22 22 ALA C C 13 183.083 0.016 . 1 . . . . . . . . 6233 1 217 . 1 1 22 22 ALA CB C 13 18.461 0.000 . 1 . . . . . . . . 6233 1 218 . 1 1 22 22 ALA HB1 H 1 1.451 0.004 . 1 . . . . . . . . 6233 1 219 . 1 1 22 22 ALA HB2 H 1 1.451 0.004 . 1 . . . . . . . . 6233 1 220 . 1 1 22 22 ALA HB3 H 1 1.451 0.004 . 1 . . . . . . . . 6233 1 221 . 1 1 23 23 LEU H H 1 7.842 0.002 . 1 . . . . . . . . 6233 1 222 . 1 1 23 23 LEU N N 15 119.591 0.000 . 1 . . . . . . . . 6233 1 223 . 1 1 23 23 LEU CA C 13 57.488 0.000 . 1 . . . . . . . . 6233 1 224 . 1 1 23 23 LEU HA H 1 4.149 0.002 . 1 . . . . . . . . 6233 1 225 . 1 1 23 23 LEU C C 13 179.595 0.006 . 1 . . . . . . . . 6233 1 226 . 1 1 23 23 LEU CB C 13 41.950 0.000 . 1 . . . . . . . . 6233 1 227 . 1 1 23 23 LEU HB2 H 1 1.723 0.007 . 1 . . . . . . . . 6233 1 228 . 1 1 23 23 LEU CD1 C 13 24.435 0.000 . 1 . . . . . . . . 6233 1 229 . 1 1 23 23 LEU HD11 H 1 0.943 0.008 . 1 . . . . . . . . 6233 1 230 . 1 1 23 23 LEU HD12 H 1 0.943 0.008 . 1 . . . . . . . . 6233 1 231 . 1 1 23 23 LEU HD13 H 1 0.943 0.008 . 1 . . . . . . . . 6233 1 232 . 1 1 24 24 ALA H H 1 7.884 0.004 . 1 . . . . . . . . 6233 1 233 . 1 1 24 24 ALA N N 15 121.424 0.000 . 1 . . . . . . . . 6233 1 234 . 1 1 24 24 ALA CA C 13 54.416 0.000 . 1 . . . . . . . . 6233 1 235 . 1 1 24 24 ALA HA H 1 4.153 0.011 . 1 . . . . . . . . 6233 1 236 . 1 1 24 24 ALA C C 13 184.112 0.000 . 1 . . . . . . . . 6233 1 237 . 1 1 24 24 ALA CB C 13 18.461 0.000 . 1 . . . . . . . . 6233 1 238 . 1 1 24 24 ALA HB1 H 1 1.495 0.008 . 1 . . . . . . . . 6233 1 239 . 1 1 24 24 ALA HB2 H 1 1.495 0.008 . 1 . . . . . . . . 6233 1 240 . 1 1 24 24 ALA HB3 H 1 1.495 0.008 . 1 . . . . . . . . 6233 1 241 . 1 1 25 25 LEU H H 1 8.025 0.003 . 1 . . . . . . . . 6233 1 242 . 1 1 25 25 LEU N N 15 119.143 0.000 . 1 . . . . . . . . 6233 1 243 . 1 1 25 25 LEU CA C 13 56.748 0.000 . 1 . . . . . . . . 6233 1 244 . 1 1 25 25 LEU HA H 1 4.233 0.000 . 1 . . . . . . . . 6233 1 245 . 1 1 25 25 LEU C C 13 180.551 0.006 . 1 . . . . . . . . 6233 1 246 . 1 1 25 25 LEU CB C 13 41.950 0.000 . 1 . . . . . . . . 6233 1 247 . 1 1 25 25 LEU HB2 H 1 1.627 0.003 . 1 . . . . . . . . 6233 1 248 . 1 1 25 25 LEU CD1 C 13 25.114 0.000 . 1 . . . . . . . . 6233 1 249 . 1 1 25 25 LEU HD11 H 1 0.891 0.004 . 1 . . . . . . . . 6233 1 250 . 1 1 25 25 LEU HD12 H 1 0.891 0.004 . 1 . . . . . . . . 6233 1 251 . 1 1 25 25 LEU HD13 H 1 0.891 0.004 . 1 . . . . . . . . 6233 1 252 . 1 1 26 26 ARG H H 1 7.925 0.003 . 1 . . . . . . . . 6233 1 253 . 1 1 26 26 ARG N N 15 120.808 0.000 . 1 . . . . . . . . 6233 1 254 . 1 1 26 26 ARG CA C 13 58.676 0.000 . 1 . . . . . . . . 6233 1 255 . 1 1 26 26 ARG HA H 1 4.155 0.004 . 1 . . . . . . . . 6233 1 256 . 1 1 26 26 ARG C C 13 179.996 0.001 . 1 . . . . . . . . 6233 1 257 . 1 1 26 26 ARG CB C 13 30.138 0.000 . 1 . . . . . . . . 6233 1 258 . 1 1 26 26 ARG HB2 H 1 1.977 0.005 . 1 . . . . . . . . 6233 1 259 . 1 1 26 26 ARG CG C 13 27.422 0.000 . 1 . . . . . . . . 6233 1 260 . 1 1 26 26 ARG HG2 H 1 1.652 0.004 . 1 . . . . . . . . 6233 1 261 . 1 1 26 26 ARG HG3 H 1 1.748 0.003 . 1 . . . . . . . . 6233 1 262 . 1 1 26 26 ARG CD C 13 43.579 0.000 . 1 . . . . . . . . 6233 1 263 . 1 1 26 26 ARG HD2 H 1 3.225 0.007 . 1 . . . . . . . . 6233 1 264 . 1 1 27 27 VAL H H 1 8.238 0.004 . 1 . . . . . . . . 6233 1 265 . 1 1 27 27 VAL N N 15 120.006 0.000 . 1 . . . . . . . . 6233 1 266 . 1 1 27 27 VAL CA C 13 65.032 0.000 . 1 . . . . . . . . 6233 1 267 . 1 1 27 27 VAL HA H 1 3.914 0.002 . 1 . . . . . . . . 6233 1 268 . 1 1 27 27 VAL C C 13 179.254 0.000 . 1 . . . . . . . . 6233 1 269 . 1 1 27 27 VAL CB C 13 32.310 0.000 . 1 . . . . . . . . 6233 1 270 . 1 1 27 27 VAL HB H 1 2.147 0.005 . 1 . . . . . . . . 6233 1 271 . 1 1 27 27 VAL CG1 C 13 21.313 0.000 . 1 . . . . . . . . 6233 1 272 . 1 1 27 27 VAL HG11 H 1 0.972 0.005 . 1 . . . . . . . . 6233 1 273 . 1 1 27 27 VAL HG12 H 1 0.972 0.005 . 1 . . . . . . . . 6233 1 274 . 1 1 27 27 VAL HG13 H 1 0.972 0.005 . 1 . . . . . . . . 6233 1 275 . 1 1 27 27 VAL CG2 C 13 21.991 0.000 . 1 . . . . . . . . 6233 1 276 . 1 1 27 27 VAL HG21 H 1 1.046 0.004 . 1 . . . . . . . . 6233 1 277 . 1 1 27 27 VAL HG22 H 1 1.046 0.004 . 1 . . . . . . . . 6233 1 278 . 1 1 27 27 VAL HG23 H 1 1.046 0.004 . 1 . . . . . . . . 6233 1 279 . 1 1 28 28 SER H H 1 8.201 0.002 . 1 . . . . . . . . 6233 1 280 . 1 1 28 28 SER N N 15 117.132 0.000 . 1 . . . . . . . . 6233 1 281 . 1 1 28 28 SER CA C 13 60.525 0.000 . 1 . . . . . . . . 6233 1 282 . 1 1 28 28 SER HA H 1 4.405 0.003 . 1 . . . . . . . . 6233 1 283 . 1 1 28 28 SER C C 13 176.539 0.015 . 1 . . . . . . . . 6233 1 284 . 1 1 28 28 SER CB C 13 63.402 0.000 . 1 . . . . . . . . 6233 1 285 . 1 1 28 28 SER HB2 H 1 4.026 0.002 . 1 . . . . . . . . 6233 1 286 . 1 1 28 28 SER HB3 H 1 4.088 0.002 . 1 . . . . . . . . 6233 1 287 . 1 1 29 29 MET H H 1 8.456 0.003 . 1 . . . . . . . . 6233 1 288 . 1 1 29 29 MET N N 15 121.640 0.000 . 1 . . . . . . . . 6233 1 289 . 1 1 29 29 MET CA C 13 58.243 0.000 . 1 . . . . . . . . 6233 1 290 . 1 1 29 29 MET HA H 1 4.315 0.005 . 1 . . . . . . . . 6233 1 291 . 1 1 29 29 MET C C 13 180.944 0.007 . 1 . . . . . . . . 6233 1 292 . 1 1 29 29 MET CB C 13 32.582 0.000 . 1 . . . . . . . . 6233 1 293 . 1 1 29 29 MET HB2 H 1 2.174 0.002 . 1 . . . . . . . . 6233 1 294 . 1 1 29 29 MET CG C 13 32.340 0.013 . 1 . . . . . . . . 6233 1 295 . 1 1 29 29 MET HG2 H 1 2.614 0.005 . 1 . . . . . . . . 6233 1 296 . 1 1 29 29 MET HG3 H 1 2.737 0.004 . 1 . . . . . . . . 6233 1 297 . 1 1 29 29 MET CE C 13 17.239 0.000 . 1 . . . . . . . . 6233 1 298 . 1 1 29 29 MET HE1 H 1 1.980 0.005 . 1 . . . . . . . . 6233 1 299 . 1 1 29 29 MET HE2 H 1 1.980 0.005 . 1 . . . . . . . . 6233 1 300 . 1 1 29 29 MET HE3 H 1 1.980 0.005 . 1 . . . . . . . . 6233 1 301 . 1 1 30 30 GLU H H 1 8.318 0.002 . 1 . . . . . . . . 6233 1 302 . 1 1 30 30 GLU N N 15 121.238 0.000 . 1 . . . . . . . . 6233 1 303 . 1 1 30 30 GLU CA C 13 59.097 0.000 . 1 . . . . . . . . 6233 1 304 . 1 1 30 30 GLU HA H 1 4.222 0.003 . 1 . . . . . . . . 6233 1 305 . 1 1 30 30 GLU C C 13 181.060 0.013 . 1 . . . . . . . . 6233 1 306 . 1 1 30 30 GLU CB C 13 29.187 0.000 . 1 . . . . . . . . 6233 1 307 . 1 1 30 30 GLU HB2 H 1 2.091 0.003 . 1 . . . . . . . . 6233 1 308 . 1 1 30 30 GLU HB3 H 1 2.183 0.003 . 1 . . . . . . . . 6233 1 309 . 1 1 30 30 GLU CG C 13 36.248 0.000 . 1 . . . . . . . . 6233 1 310 . 1 1 30 30 GLU HG2 H 1 2.384 0.005 . 1 . . . . . . . . 6233 1 311 . 1 1 31 31 GLU H H 1 8.272 0.004 . 1 . . . . . . . . 6233 1 312 . 1 1 31 31 GLU N N 15 120.819 0.000 . 1 . . . . . . . . 6233 1 313 . 1 1 31 31 GLU CA C 13 59.315 0.000 . 1 . . . . . . . . 6233 1 314 . 1 1 31 31 GLU HA H 1 4.113 0.008 . 1 . . . . . . . . 6233 1 315 . 1 1 31 31 GLU C C 13 181.882 0.005 . 1 . . . . . . . . 6233 1 316 . 1 1 31 31 GLU CB C 13 29.459 0.000 . 1 . . . . . . . . 6233 1 317 . 1 1 31 31 GLU HB2 H 1 2.112 0.001 . 1 . . . . . . . . 6233 1 318 . 1 1 31 31 GLU HB3 H 1 2.208 0.007 . 1 . . . . . . . . 6233 1 319 . 1 1 31 31 GLU CG C 13 36.791 0.000 . 1 . . . . . . . . 6233 1 320 . 1 1 31 31 GLU HG2 H 1 2.260 0.000 . 1 . . . . . . . . 6233 1 321 . 1 1 31 31 GLU HG3 H 1 2.465 0.003 . 1 . . . . . . . . 6233 1 322 . 1 1 32 32 GLN H H 1 8.145 0.002 . 1 . . . . . . . . 6233 1 323 . 1 1 32 32 GLN N N 15 119.374 0.010 . 1 . . . . . . . . 6233 1 324 . 1 1 32 32 GLN CA C 13 58.827 0.000 . 1 . . . . . . . . 6233 1 325 . 1 1 32 32 GLN HA H 1 4.087 0.002 . 1 . . . . . . . . 6233 1 326 . 1 1 32 32 GLN C C 13 179.862 0.008 . 1 . . . . . . . . 6233 1 327 . 1 1 32 32 GLN CB C 13 28.509 0.000 . 1 . . . . . . . . 6233 1 328 . 1 1 32 32 GLN HB2 H 1 2.111 0.008 . 1 . . . . . . . . 6233 1 329 . 1 1 32 32 GLN HB3 H 1 2.208 0.004 . 1 . . . . . . . . 6233 1 330 . 1 1 32 32 GLN CG C 13 33.939 0.000 . 1 . . . . . . . . 6233 1 331 . 1 1 32 32 GLN HG2 H 1 2.391 0.003 . 1 . . . . . . . . 6233 1 332 . 1 1 32 32 GLN HG3 H 1 2.488 0.007 . 1 . . . . . . . . 6233 1 333 . 1 1 32 32 GLN NE2 N 15 112.018 0.000 . 1 . . . . . . . . 6233 1 334 . 1 1 32 32 GLN HE21 H 1 6.858 0.000 . 1 . . . . . . . . 6233 1 335 . 1 1 32 32 GLN HE22 H 1 7.423 0.000 . 1 . . . . . . . . 6233 1 336 . 1 1 33 33 ARG H H 1 8.158 0.006 . 1 . . . . . . . . 6233 1 337 . 1 1 33 33 ARG N N 15 120.829 0.000 . 1 . . . . . . . . 6233 1 338 . 1 1 33 33 ARG CA C 13 59.265 0.000 . 1 . . . . . . . . 6233 1 339 . 1 1 33 33 ARG HA H 1 4.132 0.003 . 1 . . . . . . . . 6233 1 340 . 1 1 33 33 ARG C C 13 181.087 0.011 . 1 . . . . . . . . 6233 1 341 . 1 1 33 33 ARG CB C 13 30.274 0.000 . 1 . . . . . . . . 6233 1 342 . 1 1 33 33 ARG HB2 H 1 1.978 0.009 . 1 . . . . . . . . 6233 1 343 . 1 1 33 33 ARG CG C 13 27.422 0.000 . 1 . . . . . . . . 6233 1 344 . 1 1 33 33 ARG HG2 H 1 1.647 0.004 . 1 . . . . . . . . 6233 1 345 . 1 1 33 33 ARG HG3 H 1 1.774 0.002 . 1 . . . . . . . . 6233 1 346 . 1 1 33 33 ARG CD C 13 43.308 0.000 . 1 . . . . . . . . 6233 1 347 . 1 1 33 33 ARG HD2 H 1 3.207 0.005 . 1 . . . . . . . . 6233 1 348 . 1 1 33 33 ARG HD3 H 1 3.268 0.017 . 1 . . . . . . . . 6233 1 349 . 1 1 34 34 GLN H H 1 8.200 0.002 . 1 . . . . . . . . 6233 1 350 . 1 1 34 34 GLN N N 15 118.981 0.000 . 1 . . . . . . . . 6233 1 351 . 1 1 34 34 GLN CA C 13 58.927 0.000 . 1 . . . . . . . . 6233 1 352 . 1 1 34 34 GLN HA H 1 4.095 0.006 . 1 . . . . . . . . 6233 1 353 . 1 1 34 34 GLN C C 13 181.116 0.006 . 1 . . . . . . . . 6233 1 354 . 1 1 34 34 GLN CB C 13 28.509 0.000 . 1 . . . . . . . . 6233 1 355 . 1 1 34 34 GLN HB2 H 1 2.211 0.004 . 1 . . . . . . . . 6233 1 356 . 1 1 34 34 GLN CG C 13 33.939 0.000 . 1 . . . . . . . . 6233 1 357 . 1 1 34 34 GLN HG2 H 1 2.440 0.005 . 1 . . . . . . . . 6233 1 358 . 1 1 34 34 GLN HG3 H 1 2.575 0.003 . 1 . . . . . . . . 6233 1 359 . 1 1 34 34 GLN NE2 N 15 111.813 0.000 . 1 . . . . . . . . 6233 1 360 . 1 1 34 34 GLN HE21 H 1 7.623 0.000 . 1 . . . . . . . . 6233 1 361 . 1 1 34 34 GLN HE22 H 1 6.815 0.000 . 1 . . . . . . . . 6233 1 362 . 1 1 35 35 ARG H H 1 8.131 0.002 . 1 . . . . . . . . 6233 1 363 . 1 1 35 35 ARG N N 15 120.223 0.035 . 1 . . . . . . . . 6233 1 364 . 1 1 35 35 ARG CA C 13 59.173 0.000 . 1 . . . . . . . . 6233 1 365 . 1 1 35 35 ARG HA H 1 4.170 0.006 . 1 . . . . . . . . 6233 1 366 . 1 1 35 35 ARG C C 13 181.589 0.016 . 1 . . . . . . . . 6233 1 367 . 1 1 35 35 ARG CB C 13 30.138 0.000 . 1 . . . . . . . . 6233 1 368 . 1 1 35 35 ARG HB2 H 1 1.983 0.006 . 1 . . . . . . . . 6233 1 369 . 1 1 35 35 ARG HB3 H 1 2.097 0.011 . 1 . . . . . . . . 6233 1 370 . 1 1 35 35 ARG CG C 13 27.422 0.000 . 1 . . . . . . . . 6233 1 371 . 1 1 35 35 ARG HG2 H 1 1.631 0.000 . 1 . . . . . . . . 6233 1 372 . 1 1 35 35 ARG HG3 H 1 1.774 0.002 . 1 . . . . . . . . 6233 1 373 . 1 1 35 35 ARG CD C 13 43.444 0.000 . 1 . . . . . . . . 6233 1 374 . 1 1 35 35 ARG HD2 H 1 3.252 0.001 . 1 . . . . . . . . 6233 1 375 . 1 1 36 36 GLN H H 1 8.231 0.002 . 1 . . . . . . . . 6233 1 376 . 1 1 36 36 GLN N N 15 119.607 0.000 . 1 . . . . . . . . 6233 1 377 . 1 1 36 36 GLN CA C 13 58.852 0.000 . 1 . . . . . . . . 6233 1 378 . 1 1 36 36 GLN HA H 1 4.144 0.007 . 1 . . . . . . . . 6233 1 379 . 1 1 36 36 GLN C C 13 181.866 0.003 . 1 . . . . . . . . 6233 1 380 . 1 1 36 36 GLN CB C 13 28.509 0.000 . 1 . . . . . . . . 6233 1 381 . 1 1 36 36 GLN HB2 H 1 2.191 0.008 . 1 . . . . . . . . 6233 1 382 . 1 1 36 36 GLN HB3 H 1 2.288 0.006 . 1 . . . . . . . . 6233 1 383 . 1 1 36 36 GLN CG C 13 34.483 0.000 . 1 . . . . . . . . 6233 1 384 . 1 1 36 36 GLN HG2 H 1 2.467 0.007 . 1 . . . . . . . . 6233 1 385 . 1 1 36 36 GLN HG3 H 1 2.588 0.003 . 1 . . . . . . . . 6233 1 386 . 1 1 36 36 GLN NE2 N 15 111.200 0.000 . 1 . . . . . . . . 6233 1 387 . 1 1 36 36 GLN HE21 H 1 6.829 0.000 . 1 . . . . . . . . 6233 1 388 . 1 1 36 36 GLN HE22 H 1 7.475 0.001 . 1 . . . . . . . . 6233 1 389 . 1 1 37 37 GLU H H 1 8.354 0.002 . 1 . . . . . . . . 6233 1 390 . 1 1 37 37 GLU N N 15 121.205 0.000 . 1 . . . . . . . . 6233 1 391 . 1 1 37 37 GLU CA C 13 59.253 0.000 . 1 . . . . . . . . 6233 1 392 . 1 1 37 37 GLU HA H 1 4.140 0.004 . 1 . . . . . . . . 6233 1 393 . 1 1 37 37 GLU C C 13 181.843 0.001 . 1 . . . . . . . . 6233 1 394 . 1 1 37 37 GLU CB C 13 29.459 0.000 . 1 . . . . . . . . 6233 1 395 . 1 1 37 37 GLU HB2 H 1 2.133 0.002 . 1 . . . . . . . . 6233 1 396 . 1 1 37 37 GLU HB3 H 1 2.199 0.005 . 1 . . . . . . . . 6233 1 397 . 1 1 37 37 GLU CG C 13 34.211 0.000 . 1 . . . . . . . . 6233 1 398 . 1 1 37 37 GLU HG2 H 1 2.473 0.005 . 1 . . . . . . . . 6233 1 399 . 1 1 37 37 GLU HG3 H 1 2.588 0.009 . 1 . . . . . . . . 6233 1 400 . 1 1 38 38 GLU H H 1 8.171 0.002 . 1 . . . . . . . . 6233 1 401 . 1 1 38 38 GLU N N 15 120.823 0.000 . 1 . . . . . . . . 6233 1 402 . 1 1 38 38 GLU CA C 13 59.152 0.000 . 1 . . . . . . . . 6233 1 403 . 1 1 38 38 GLU HA H 1 4.148 0.008 . 1 . . . . . . . . 6233 1 404 . 1 1 38 38 GLU C C 13 181.827 0.006 . 1 . . . . . . . . 6233 1 405 . 1 1 38 38 GLU CB C 13 29.187 0.000 . 1 . . . . . . . . 6233 1 406 . 1 1 38 38 GLU HB2 H 1 2.128 0.004 . 1 . . . . . . . . 6233 1 407 . 1 1 38 38 GLU HB3 H 1 2.223 0.004 . 1 . . . . . . . . 6233 1 408 . 1 1 38 38 GLU CG C 13 36.655 0.000 . 1 . . . . . . . . 6233 1 409 . 1 1 38 38 GLU HG2 H 1 2.301 0.003 . 1 . . . . . . . . 6233 1 410 . 1 1 38 38 GLU HG3 H 1 2.495 0.002 . 1 . . . . . . . . 6233 1 411 . 1 1 39 39 GLU H H 1 8.272 0.002 . 1 . . . . . . . . 6233 1 412 . 1 1 39 39 GLU N N 15 120.199 0.000 . 1 . . . . . . . . 6233 1 413 . 1 1 39 39 GLU CA C 13 59.165 0.000 . 1 . . . . . . . . 6233 1 414 . 1 1 39 39 GLU HA H 1 4.090 0.001 . 1 . . . . . . . . 6233 1 415 . 1 1 39 39 GLU C C 13 181.809 0.010 . 1 . . . . . . . . 6233 1 416 . 1 1 39 39 GLU CB C 13 29.187 0.000 . 1 . . . . . . . . 6233 1 417 . 1 1 39 39 GLU HB2 H 1 2.097 0.005 . 1 . . . . . . . . 6233 1 418 . 1 1 39 39 GLU HB3 H 1 2.181 0.005 . 1 . . . . . . . . 6233 1 419 . 1 1 39 39 GLU CG C 13 36.383 0.000 . 1 . . . . . . . . 6233 1 420 . 1 1 39 39 GLU HG2 H 1 2.350 0.003 . 1 . . . . . . . . 6233 1 421 . 1 1 39 39 GLU HG3 H 1 2.438 0.003 . 1 . . . . . . . . 6233 1 422 . 1 1 40 40 ALA H H 1 8.078 0.002 . 1 . . . . . . . . 6233 1 423 . 1 1 40 40 ALA N N 15 122.448 0.000 . 1 . . . . . . . . 6233 1 424 . 1 1 40 40 ALA CA C 13 54.870 0.000 . 1 . . . . . . . . 6233 1 425 . 1 1 40 40 ALA HA H 1 4.254 0.004 . 1 . . . . . . . . 6233 1 426 . 1 1 40 40 ALA C C 13 185.417 0.019 . 1 . . . . . . . . 6233 1 427 . 1 1 40 40 ALA CB C 13 18.190 0.000 . 1 . . . . . . . . 6233 1 428 . 1 1 40 40 ALA HB1 H 1 1.547 0.008 . 1 . . . . . . . . 6233 1 429 . 1 1 40 40 ALA HB2 H 1 1.547 0.008 . 1 . . . . . . . . 6233 1 430 . 1 1 40 40 ALA HB3 H 1 1.547 0.008 . 1 . . . . . . . . 6233 1 431 . 1 1 41 41 ARG H H 1 8.058 0.001 . 1 . . . . . . . . 6233 1 432 . 1 1 41 41 ARG N N 15 119.779 0.000 . 1 . . . . . . . . 6233 1 433 . 1 1 41 41 ARG CA C 13 59.140 0.000 . 1 . . . . . . . . 6233 1 434 . 1 1 41 41 ARG HA H 1 4.135 0.003 . 1 . . . . . . . . 6233 1 435 . 1 1 41 41 ARG C C 13 182.077 0.002 . 1 . . . . . . . . 6233 1 436 . 1 1 41 41 ARG CB C 13 30.274 0.000 . 1 . . . . . . . . 6233 1 437 . 1 1 41 41 ARG HB2 H 1 1.960 0.003 . 1 . . . . . . . . 6233 1 438 . 1 1 41 41 ARG HB3 H 1 2.029 0.004 . 1 . . . . . . . . 6233 1 439 . 1 1 41 41 ARG CG C 13 27.694 0.000 . 1 . . . . . . . . 6233 1 440 . 1 1 41 41 ARG HG2 H 1 1.652 0.008 . 1 . . . . . . . . 6233 1 441 . 1 1 41 41 ARG HG3 H 1 1.847 0.007 . 1 . . . . . . . . 6233 1 442 . 1 1 41 41 ARG CD C 13 43.308 0.000 . 1 . . . . . . . . 6233 1 443 . 1 1 41 41 ARG HD2 H 1 3.251 0.008 . 1 . . . . . . . . 6233 1 444 . 1 1 42 42 ARG H H 1 8.156 0.004 . 1 . . . . . . . . 6233 1 445 . 1 1 42 42 ARG N N 15 120.642 0.000 . 1 . . . . . . . . 6233 1 446 . 1 1 42 42 ARG CA C 13 58.927 0.000 . 1 . . . . . . . . 6233 1 447 . 1 1 42 42 ARG HA H 1 4.120 0.002 . 1 . . . . . . . . 6233 1 448 . 1 1 42 42 ARG C C 13 181.067 0.000 . 1 . . . . . . . . 6233 1 449 . 1 1 42 42 ARG CB C 13 30.274 0.000 . 1 . . . . . . . . 6233 1 450 . 1 1 42 42 ARG HB2 H 1 1.959 0.007 . 1 . . . . . . . . 6233 1 451 . 1 1 42 42 ARG CG C 13 27.694 0.000 . 1 . . . . . . . . 6233 1 452 . 1 1 42 42 ARG HG2 H 1 1.669 0.001 . 1 . . . . . . . . 6233 1 453 . 1 1 42 42 ARG CD C 13 43.444 0.000 . 1 . . . . . . . . 6233 1 454 . 1 1 42 42 ARG HD2 H 1 3.237 0.000 . 1 . . . . . . . . 6233 1 455 . 1 1 43 43 ALA H H 1 8.175 0.005 . 1 . . . . . . . . 6233 1 456 . 1 1 43 43 ALA N N 15 122.659 0.000 . 1 . . . . . . . . 6233 1 457 . 1 1 43 43 ALA CA C 13 54.353 0.000 . 1 . . . . . . . . 6233 1 458 . 1 1 43 43 ALA HA H 1 4.228 0.003 . 1 . . . . . . . . 6233 1 459 . 1 1 43 43 ALA C C 13 183.236 0.015 . 1 . . . . . . . . 6233 1 460 . 1 1 43 43 ALA CB C 13 18.326 0.000 . 1 . . . . . . . . 6233 1 461 . 1 1 43 43 ALA HB1 H 1 1.510 0.003 . 1 . . . . . . . . 6233 1 462 . 1 1 43 43 ALA HB2 H 1 1.510 0.003 . 1 . . . . . . . . 6233 1 463 . 1 1 43 43 ALA HB3 H 1 1.510 0.003 . 1 . . . . . . . . 6233 1 464 . 1 1 44 44 ALA H H 1 7.932 0.001 . 1 . . . . . . . . 6233 1 465 . 1 1 44 44 ALA N N 15 121.217 0.000 . 1 . . . . . . . . 6233 1 466 . 1 1 44 44 ALA CA C 13 53.948 0.000 . 1 . . . . . . . . 6233 1 467 . 1 1 44 44 ALA HA H 1 4.244 0.002 . 1 . . . . . . . . 6233 1 468 . 1 1 44 44 ALA C C 13 182.493 0.000 . 1 . . . . . . . . 6233 1 469 . 1 1 44 44 ALA CB C 13 18.461 0.000 . 1 . . . . . . . . 6233 1 470 . 1 1 44 44 ALA HB1 H 1 1.507 0.003 . 1 . . . . . . . . 6233 1 471 . 1 1 44 44 ALA HB2 H 1 1.507 0.003 . 1 . . . . . . . . 6233 1 472 . 1 1 44 44 ALA HB3 H 1 1.507 0.003 . 1 . . . . . . . . 6233 1 473 . 1 1 45 45 ALA H H 1 7.894 0.003 . 1 . . . . . . . . 6233 1 474 . 1 1 45 45 ALA N N 15 121.624 0.000 . 1 . . . . . . . . 6233 1 475 . 1 1 45 45 ALA CA C 13 54.404 0.000 . 1 . . . . . . . . 6233 1 476 . 1 1 45 45 ALA HA H 1 4.227 0.002 . 1 . . . . . . . . 6233 1 477 . 1 1 45 45 ALA C C 13 181.883 0.002 . 1 . . . . . . . . 6233 1 478 . 1 1 45 45 ALA CB C 13 18.326 0.000 . 1 . . . . . . . . 6233 1 479 . 1 1 45 45 ALA HB1 H 1 1.501 0.007 . 1 . . . . . . . . 6233 1 480 . 1 1 45 45 ALA HB2 H 1 1.501 0.007 . 1 . . . . . . . . 6233 1 481 . 1 1 45 45 ALA HB3 H 1 1.501 0.007 . 1 . . . . . . . . 6233 1 482 . 1 1 46 46 ALA H H 1 7.979 0.002 . 1 . . . . . . . . 6233 1 483 . 1 1 46 46 ALA N N 15 121.843 0.000 . 1 . . . . . . . . 6233 1 484 . 1 1 46 46 ALA CA C 13 53.752 0.000 . 1 . . . . . . . . 6233 1 485 . 1 1 46 46 ALA HA H 1 4.295 0.001 . 1 . . . . . . . . 6233 1 486 . 1 1 46 46 ALA C C 13 181.732 0.004 . 1 . . . . . . . . 6233 1 487 . 1 1 46 46 ALA CB C 13 18.869 0.000 . 1 . . . . . . . . 6233 1 488 . 1 1 46 46 ALA HB1 H 1 1.500 0.003 . 1 . . . . . . . . 6233 1 489 . 1 1 46 46 ALA HB2 H 1 1.500 0.003 . 1 . . . . . . . . 6233 1 490 . 1 1 46 46 ALA HB3 H 1 1.500 0.003 . 1 . . . . . . . . 6233 1 491 . 1 1 47 47 SER H H 1 8.038 0.002 . 1 . . . . . . . . 6233 1 492 . 1 1 47 47 SER N N 15 114.065 0.000 . 1 . . . . . . . . 6233 1 493 . 1 1 47 47 SER CA C 13 59.533 0.000 . 1 . . . . . . . . 6233 1 494 . 1 1 47 47 SER HA H 1 4.401 0.004 . 1 . . . . . . . . 6233 1 495 . 1 1 47 47 SER C C 13 173.591 0.015 . 1 . . . . . . . . 6233 1 496 . 1 1 47 47 SER CB C 13 63.810 0.000 . 1 . . . . . . . . 6233 1 497 . 1 1 47 47 SER HB2 H 1 3.960 0.002 . 1 . . . . . . . . 6233 1 498 . 1 1 48 48 ALA H H 1 8.030 0.004 . 1 . . . . . . . . 6233 1 499 . 1 1 48 48 ALA N N 15 125.114 0.000 . 1 . . . . . . . . 6233 1 500 . 1 1 48 48 ALA CA C 13 53.518 0.000 . 1 . . . . . . . . 6233 1 501 . 1 1 48 48 ALA HA H 1 4.305 0.003 . 1 . . . . . . . . 6233 1 502 . 1 1 48 48 ALA C C 13 180.142 0.015 . 1 . . . . . . . . 6233 1 503 . 1 1 48 48 ALA CB C 13 19.140 0.000 . 1 . . . . . . . . 6233 1 504 . 1 1 48 48 ALA HB1 H 1 1.462 0.003 . 1 . . . . . . . . 6233 1 505 . 1 1 48 48 ALA HB2 H 1 1.462 0.003 . 1 . . . . . . . . 6233 1 506 . 1 1 48 48 ALA HB3 H 1 1.462 0.003 . 1 . . . . . . . . 6233 1 507 . 1 1 49 49 ALA H H 1 8.005 0.004 . 1 . . . . . . . . 6233 1 508 . 1 1 49 49 ALA N N 15 121.851 0.000 . 1 . . . . . . . . 6233 1 509 . 1 1 49 49 ALA CA C 13 53.270 0.000 . 1 . . . . . . . . 6233 1 510 . 1 1 49 49 ALA HA H 1 4.287 0.004 . 1 . . . . . . . . 6233 1 511 . 1 1 49 49 ALA C C 13 181.007 0.000 . 1 . . . . . . . . 6233 1 512 . 1 1 49 49 ALA CB C 13 19.004 0.000 . 1 . . . . . . . . 6233 1 513 . 1 1 49 49 ALA HB1 H 1 1.461 0.001 . 1 . . . . . . . . 6233 1 514 . 1 1 49 49 ALA HB2 H 1 1.461 0.001 . 1 . . . . . . . . 6233 1 515 . 1 1 49 49 ALA HB3 H 1 1.461 0.001 . 1 . . . . . . . . 6233 1 516 . 1 1 50 50 GLU H H 1 8.088 0.001 . 1 . . . . . . . . 6233 1 517 . 1 1 50 50 GLU N N 15 119.205 0.000 . 1 . . . . . . . . 6233 1 518 . 1 1 50 50 GLU CA C 13 57.047 0.000 . 1 . . . . . . . . 6233 1 519 . 1 1 50 50 GLU HA H 1 4.230 0.005 . 1 . . . . . . . . 6233 1 520 . 1 1 50 50 GLU C C 13 176.639 0.000 . 1 . . . . . . . . 6233 1 521 . 1 1 50 50 GLU CB C 13 30.002 0.000 . 1 . . . . . . . . 6233 1 522 . 1 1 50 50 GLU HB2 H 1 2.022 0.003 . 1 . . . . . . . . 6233 1 523 . 1 1 50 50 GLU HB3 H 1 2.108 0.004 . 1 . . . . . . . . 6233 1 524 . 1 1 50 50 GLU CG C 13 36.655 0.000 . 1 . . . . . . . . 6233 1 525 . 1 1 50 50 GLU HG2 H 1 2.282 0.002 . 1 . . . . . . . . 6233 1 526 . 1 1 50 50 GLU HG3 H 1 2.351 0.002 . 1 . . . . . . . . 6233 1 527 . 1 1 51 51 ALA H H 1 8.079 0.001 . 1 . . . . . . . . 6233 1 528 . 1 1 51 51 ALA N N 15 123.677 0.000 . 1 . . . . . . . . 6233 1 529 . 1 1 51 51 ALA CA C 13 52.909 0.000 . 1 . . . . . . . . 6233 1 530 . 1 1 51 51 ALA HA H 1 4.327 0.001 . 1 . . . . . . . . 6233 1 531 . 1 1 51 51 ALA C C 13 180.264 0.016 . 1 . . . . . . . . 6233 1 532 . 1 1 51 51 ALA CB C 13 19.276 0.000 . 1 . . . . . . . . 6233 1 533 . 1 1 51 51 ALA HB1 H 1 1.452 0.002 . 1 . . . . . . . . 6233 1 534 . 1 1 51 51 ALA HB2 H 1 1.452 0.002 . 1 . . . . . . . . 6233 1 535 . 1 1 51 51 ALA HB3 H 1 1.452 0.002 . 1 . . . . . . . . 6233 1 536 . 1 1 52 52 GLY H H 1 8.192 0.003 . 1 . . . . . . . . 6233 1 537 . 1 1 52 52 GLY N N 15 107.417 0.000 . 1 . . . . . . . . 6233 1 538 . 1 1 52 52 GLY CA C 13 45.316 0.000 . 1 . . . . . . . . 6233 1 539 . 1 1 52 52 GLY HA2 H 1 3.978 0.000 . 1 . . . . . . . . 6233 1 540 . 1 1 52 52 GLY C C 13 170.861 0.015 . 1 . . . . . . . . 6233 1 541 . 1 1 53 53 ILE H H 1 7.861 0.002 . 1 . . . . . . . . 6233 1 542 . 1 1 53 53 ILE N N 15 119.789 0.000 . 1 . . . . . . . . 6233 1 543 . 1 1 53 53 ILE CA C 13 61.058 0.000 . 1 . . . . . . . . 6233 1 544 . 1 1 53 53 ILE HA H 1 4.203 0.002 . 1 . . . . . . . . 6233 1 545 . 1 1 53 53 ILE C C 13 175.062 0.000 . 1 . . . . . . . . 6233 1 546 . 1 1 53 53 ILE CB C 13 38.963 0.000 . 1 . . . . . . . . 6233 1 547 . 1 1 53 53 ILE HB H 1 1.890 0.005 . 1 . . . . . . . . 6233 1 548 . 1 1 53 53 ILE CG2 C 13 17.511 0.000 . 1 . . . . . . . . 6233 1 549 . 1 1 53 53 ILE HG21 H 1 0.930 0.002 . 1 . . . . . . . . 6233 1 550 . 1 1 53 53 ILE HG22 H 1 0.930 0.002 . 1 . . . . . . . . 6233 1 551 . 1 1 53 53 ILE HG23 H 1 0.930 0.002 . 1 . . . . . . . . 6233 1 552 . 1 1 53 53 ILE CG1 C 13 27.287 0.000 . 1 . . . . . . . . 6233 1 553 . 1 1 53 53 ILE HG12 H 1 1.194 0.009 . 1 . . . . . . . . 6233 1 554 . 1 1 53 53 ILE HG13 H 1 1.469 0.005 . 1 . . . . . . . . 6233 1 555 . 1 1 53 53 ILE CD1 C 13 13.302 0.000 . 1 . . . . . . . . 6233 1 556 . 1 1 53 53 ILE HD11 H 1 0.856 0.003 . 1 . . . . . . . . 6233 1 557 . 1 1 53 53 ILE HD12 H 1 0.856 0.003 . 1 . . . . . . . . 6233 1 558 . 1 1 53 53 ILE HD13 H 1 0.856 0.003 . 1 . . . . . . . . 6233 1 559 . 1 1 54 54 ALA H H 1 8.375 0.002 . 1 . . . . . . . . 6233 1 560 . 1 1 54 54 ALA N N 15 127.976 0.000 . 1 . . . . . . . . 6233 1 561 . 1 1 54 54 ALA CA C 13 52.516 0.000 . 1 . . . . . . . . 6233 1 562 . 1 1 54 54 ALA HA H 1 4.442 0.001 . 1 . . . . . . . . 6233 1 563 . 1 1 54 54 ALA C C 13 179.156 0.000 . 1 . . . . . . . . 6233 1 564 . 1 1 54 54 ALA CB C 13 19.412 0.000 . 1 . . . . . . . . 6233 1 565 . 1 1 54 54 ALA HB1 H 1 1.415 0.004 . 1 . . . . . . . . 6233 1 566 . 1 1 54 54 ALA HB2 H 1 1.415 0.004 . 1 . . . . . . . . 6233 1 567 . 1 1 54 54 ALA HB3 H 1 1.415 0.004 . 1 . . . . . . . . 6233 1 568 . 1 1 55 55 THR H H 1 8.188 0.002 . 1 . . . . . . . . 6233 1 569 . 1 1 55 55 THR N N 15 113.661 0.000 . 1 . . . . . . . . 6233 1 570 . 1 1 55 55 THR CA C 13 61.630 0.000 . 1 . . . . . . . . 6233 1 571 . 1 1 55 55 THR HA H 1 4.451 0.005 . 1 . . . . . . . . 6233 1 572 . 1 1 55 55 THR C C 13 172.486 0.002 . 1 . . . . . . . . 6233 1 573 . 1 1 55 55 THR CB C 13 69.784 0.000 . 1 . . . . . . . . 6233 1 574 . 1 1 55 55 THR HB H 1 4.283 0.000 . 1 . . . . . . . . 6233 1 575 . 1 1 55 55 THR CG2 C 13 21.720 0.000 . 1 . . . . . . . . 6233 1 576 . 1 1 55 55 THR HG21 H 1 1.226 0.005 . 1 . . . . . . . . 6233 1 577 . 1 1 55 55 THR HG22 H 1 1.226 0.005 . 1 . . . . . . . . 6233 1 578 . 1 1 55 55 THR HG23 H 1 1.226 0.005 . 1 . . . . . . . . 6233 1 579 . 1 1 56 56 THR H H 1 8.265 0.002 . 1 . . . . . . . . 6233 1 580 . 1 1 56 56 THR N N 15 115.909 0.000 . 1 . . . . . . . . 6233 1 581 . 1 1 56 56 THR CA C 13 61.979 0.000 . 1 . . . . . . . . 6233 1 582 . 1 1 56 56 THR HA H 1 4.444 0.008 . 1 . . . . . . . . 6233 1 583 . 1 1 56 56 THR C C 13 173.145 0.000 . 1 . . . . . . . . 6233 1 584 . 1 1 56 56 THR CB C 13 69.846 0.000 . 1 . . . . . . . . 6233 1 585 . 1 1 56 56 THR HB H 1 4.288 0.004 . 1 . . . . . . . . 6233 1 586 . 1 1 56 56 THR CG2 C 13 21.720 0.000 . 1 . . . . . . . . 6233 1 587 . 1 1 56 56 THR HG21 H 1 1.234 0.001 . 1 . . . . . . . . 6233 1 588 . 1 1 56 56 THR HG22 H 1 1.234 0.001 . 1 . . . . . . . . 6233 1 589 . 1 1 56 56 THR HG23 H 1 1.234 0.001 . 1 . . . . . . . . 6233 1 590 . 1 1 57 57 GLY H H 1 8.542 0.001 . 1 . . . . . . . . 6233 1 591 . 1 1 57 57 GLY N N 15 111.565 0.000 . 1 . . . . . . . . 6233 1 592 . 1 1 57 57 GLY CA C 13 45.391 0.000 . 1 . . . . . . . . 6233 1 593 . 1 1 57 57 GLY HA2 H 1 4.089 0.000 . 1 . . . . . . . . 6233 1 594 . 1 1 57 57 GLY C C 13 171.498 0.015 . 1 . . . . . . . . 6233 1 595 . 1 1 58 58 THR H H 1 8.092 0.003 . 1 . . . . . . . . 6233 1 596 . 1 1 58 58 THR N N 15 113.024 0.000 . 1 . . . . . . . . 6233 1 597 . 1 1 58 58 THR CA C 13 61.783 0.000 . 1 . . . . . . . . 6233 1 598 . 1 1 58 58 THR HA H 1 4.419 0.005 . 1 . . . . . . . . 6233 1 599 . 1 1 58 58 THR C C 13 172.393 0.000 . 1 . . . . . . . . 6233 1 600 . 1 1 58 58 THR CB C 13 69.919 0.000 . 1 . . . . . . . . 6233 1 601 . 1 1 58 58 THR HB H 1 4.291 0.002 . 1 . . . . . . . . 6233 1 602 . 1 1 58 58 THR CG2 C 13 21.720 0.000 . 1 . . . . . . . . 6233 1 603 . 1 1 58 58 THR HG21 H 1 1.207 0.007 . 1 . . . . . . . . 6233 1 604 . 1 1 58 58 THR HG22 H 1 1.207 0.007 . 1 . . . . . . . . 6233 1 605 . 1 1 58 58 THR HG23 H 1 1.207 0.007 . 1 . . . . . . . . 6233 1 606 . 1 1 59 59 GLU H H 1 8.640 0.001 . 1 . . . . . . . . 6233 1 607 . 1 1 59 59 GLU N N 15 123.073 0.000 . 1 . . . . . . . . 6233 1 608 . 1 1 59 59 GLU CA C 13 56.974 0.000 . 1 . . . . . . . . 6233 1 609 . 1 1 59 59 GLU HA H 1 4.314 0.002 . 1 . . . . . . . . 6233 1 610 . 1 1 59 59 GLU C C 13 175.790 0.000 . 1 . . . . . . . . 6233 1 611 . 1 1 59 59 GLU CB C 13 30.138 0.000 . 1 . . . . . . . . 6233 1 612 . 1 1 59 59 GLU HB2 H 1 1.960 0.005 . 1 . . . . . . . . 6233 1 613 . 1 1 59 59 GLU HB3 H 1 2.087 0.004 . 1 . . . . . . . . 6233 1 614 . 1 1 59 59 GLU CG C 13 36.519 0.000 . 1 . . . . . . . . 6233 1 615 . 1 1 59 59 GLU HG2 H 1 2.294 0.004 . 1 . . . . . . . . 6233 1 616 . 1 1 60 60 ASP H H 1 8.384 0.002 . 1 . . . . . . . . 6233 1 617 . 1 1 60 60 ASP N N 15 121.342 0.000 . 1 . . . . . . . . 6233 1 618 . 1 1 60 60 ASP CA C 13 54.496 0.000 . 1 . . . . . . . . 6233 1 619 . 1 1 60 60 ASP HA H 1 4.648 0.002 . 1 . . . . . . . . 6233 1 620 . 1 1 60 60 ASP C C 13 175.744 0.015 . 1 . . . . . . . . 6233 1 621 . 1 1 60 60 ASP CB C 13 41.407 0.000 . 1 . . . . . . . . 6233 1 622 . 1 1 60 60 ASP HB2 H 1 2.637 0.010 . 1 . . . . . . . . 6233 1 623 . 1 1 60 60 ASP HB3 H 1 2.722 0.004 . 1 . . . . . . . . 6233 1 624 . 1 1 61 61 SER H H 1 8.209 0.002 . 1 . . . . . . . . 6233 1 625 . 1 1 61 61 SER N N 15 116.092 0.000 . 1 . . . . . . . . 6233 1 626 . 1 1 61 61 SER CA C 13 58.596 0.000 . 1 . . . . . . . . 6233 1 627 . 1 1 61 61 SER HA H 1 4.439 0.003 . 1 . . . . . . . . 6233 1 628 . 1 1 61 61 SER C C 13 172.029 0.000 . 1 . . . . . . . . 6233 1 629 . 1 1 61 61 SER CB C 13 63.945 0.000 . 1 . . . . . . . . 6233 1 630 . 1 1 61 61 SER HB2 H 1 3.867 0.005 . 1 . . . . . . . . 6233 1 631 . 1 1 61 61 SER HB3 H 1 3.941 0.000 . 1 . . . . . . . . 6233 1 632 . 1 1 62 62 ASP H H 1 8.427 0.001 . 1 . . . . . . . . 6233 1 633 . 1 1 62 62 ASP N N 15 122.762 0.000 . 1 . . . . . . . . 6233 1 634 . 1 1 62 62 ASP CA C 13 55.059 0.000 . 1 . . . . . . . . 6233 1 635 . 1 1 62 62 ASP HA H 1 4.615 0.002 . 1 . . . . . . . . 6233 1 636 . 1 1 62 62 ASP C C 13 176.533 0.015 . 1 . . . . . . . . 6233 1 637 . 1 1 62 62 ASP CB C 13 41.135 0.000 . 1 . . . . . . . . 6233 1 638 . 1 1 62 62 ASP HB2 H 1 2.674 0.002 . 1 . . . . . . . . 6233 1 639 . 1 1 62 62 ASP HB3 H 1 2.744 0.006 . 1 . . . . . . . . 6233 1 640 . 1 1 63 63 ASP H H 1 8.250 0.003 . 1 . . . . . . . . 6233 1 641 . 1 1 63 63 ASP N N 15 121.209 0.000 . 1 . . . . . . . . 6233 1 642 . 1 1 63 63 ASP CA C 13 55.322 0.000 . 1 . . . . . . . . 6233 1 643 . 1 1 63 63 ASP HA H 1 4.508 0.002 . 1 . . . . . . . . 6233 1 644 . 1 1 63 63 ASP C C 13 177.227 0.012 . 1 . . . . . . . . 6233 1 645 . 1 1 63 63 ASP CB C 13 41.135 0.000 . 1 . . . . . . . . 6233 1 646 . 1 1 63 63 ASP HB2 H 1 2.690 0.003 . 1 . . . . . . . . 6233 1 647 . 1 1 64 64 ALA H H 1 8.170 0.002 . 1 . . . . . . . . 6233 1 648 . 1 1 64 64 ALA N N 15 123.540 0.000 . 1 . . . . . . . . 6233 1 649 . 1 1 64 64 ALA CA C 13 54.170 0.000 . 1 . . . . . . . . 6233 1 650 . 1 1 64 64 ALA HA H 1 4.147 0.003 . 1 . . . . . . . . 6233 1 651 . 1 1 64 64 ALA C C 13 181.999 0.010 . 1 . . . . . . . . 6233 1 652 . 1 1 64 64 ALA CB C 13 18.869 0.000 . 1 . . . . . . . . 6233 1 653 . 1 1 64 64 ALA HB1 H 1 1.454 0.005 . 1 . . . . . . . . 6233 1 654 . 1 1 64 64 ALA HB2 H 1 1.454 0.005 . 1 . . . . . . . . 6233 1 655 . 1 1 64 64 ALA HB3 H 1 1.454 0.005 . 1 . . . . . . . . 6233 1 656 . 1 1 65 65 LEU H H 1 8.006 0.002 . 1 . . . . . . . . 6233 1 657 . 1 1 65 65 LEU N N 15 118.771 0.000 . 1 . . . . . . . . 6233 1 658 . 1 1 65 65 LEU CA C 13 56.409 0.000 . 1 . . . . . . . . 6233 1 659 . 1 1 65 65 LEU HA H 1 4.240 0.003 . 1 . . . . . . . . 6233 1 660 . 1 1 65 65 LEU C C 13 180.688 0.015 . 1 . . . . . . . . 6233 1 661 . 1 1 65 65 LEU CB C 13 41.950 0.000 . 1 . . . . . . . . 6233 1 662 . 1 1 65 65 LEU HB2 H 1 1.648 0.005 . 1 . . . . . . . . 6233 1 663 . 1 1 65 65 LEU HB3 H 1 1.745 0.002 . 1 . . . . . . . . 6233 1 664 . 1 1 65 65 LEU CD1 C 13 25.250 0.000 . 1 . . . . . . . . 6233 1 665 . 1 1 65 65 LEU HD11 H 1 0.896 0.005 . 1 . . . . . . . . 6233 1 666 . 1 1 65 65 LEU HD12 H 1 0.896 0.005 . 1 . . . . . . . . 6233 1 667 . 1 1 65 65 LEU HD13 H 1 0.896 0.005 . 1 . . . . . . . . 6233 1 668 . 1 1 65 65 LEU CD2 C 13 25.114 0.000 . 1 . . . . . . . . 6233 1 669 . 1 1 65 65 LEU HD21 H 1 0.940 0.002 . 1 . . . . . . . . 6233 1 670 . 1 1 65 65 LEU HD22 H 1 0.940 0.002 . 1 . . . . . . . . 6233 1 671 . 1 1 65 65 LEU HD23 H 1 0.940 0.002 . 1 . . . . . . . . 6233 1 672 . 1 1 66 66 LEU H H 1 7.873 0.002 . 1 . . . . . . . . 6233 1 673 . 1 1 66 66 LEU N N 15 121.017 0.000 . 1 . . . . . . . . 6233 1 674 . 1 1 66 66 LEU CA C 13 56.342 0.000 . 1 . . . . . . . . 6233 1 675 . 1 1 66 66 LEU HA H 1 4.252 0.002 . 1 . . . . . . . . 6233 1 676 . 1 1 66 66 LEU C C 13 179.573 0.002 . 1 . . . . . . . . 6233 1 677 . 1 1 66 66 LEU CB C 13 41.950 0.000 . 1 . . . . . . . . 6233 1 678 . 1 1 66 66 LEU HB2 H 1 1.656 0.005 . 1 . . . . . . . . 6233 1 679 . 1 1 66 66 LEU HB3 H 1 1.732 0.004 . 1 . . . . . . . . 6233 1 680 . 1 1 66 66 LEU HD11 H 1 0.880 0.005 . 1 . . . . . . . . 6233 1 681 . 1 1 66 66 LEU HD12 H 1 0.880 0.005 . 1 . . . . . . . . 6233 1 682 . 1 1 66 66 LEU HD13 H 1 0.880 0.005 . 1 . . . . . . . . 6233 1 683 . 1 1 66 66 LEU HD21 H 1 0.943 0.005 . 1 . . . . . . . . 6233 1 684 . 1 1 66 66 LEU HD22 H 1 0.943 0.005 . 1 . . . . . . . . 6233 1 685 . 1 1 66 66 LEU HD23 H 1 0.943 0.005 . 1 . . . . . . . . 6233 1 686 . 1 1 67 67 LYS H H 1 7.968 0.002 . 1 . . . . . . . . 6233 1 687 . 1 1 67 67 LYS N N 15 119.779 0.000 . 1 . . . . . . . . 6233 1 688 . 1 1 67 67 LYS CA C 13 57.152 0.000 . 1 . . . . . . . . 6233 1 689 . 1 1 67 67 LYS HA H 1 4.228 0.004 . 1 . . . . . . . . 6233 1 690 . 1 1 67 67 LYS C C 13 177.670 0.000 . 1 . . . . . . . . 6233 1 691 . 1 1 67 67 LYS CB C 13 32.853 0.000 . 1 . . . . . . . . 6233 1 692 . 1 1 67 67 LYS HB2 H 1 1.817 0.005 . 1 . . . . . . . . 6233 1 693 . 1 1 67 67 LYS HB3 H 1 1.882 0.006 . 1 . . . . . . . . 6233 1 694 . 1 1 67 67 LYS CG C 13 25.250 0.000 . 1 . . . . . . . . 6233 1 695 . 1 1 67 67 LYS HG2 H 1 1.429 0.003 . 1 . . . . . . . . 6233 1 696 . 1 1 67 67 LYS HG3 H 1 1.507 0.002 . 1 . . . . . . . . 6233 1 697 . 1 1 67 67 LYS CD C 13 29.052 0.000 . 1 . . . . . . . . 6233 1 698 . 1 1 67 67 LYS HD2 H 1 1.678 0.001 . 1 . . . . . . . . 6233 1 699 . 1 1 67 67 LYS CE C 13 42.086 0.000 . 1 . . . . . . . . 6233 1 700 . 1 1 67 67 LYS HE2 H 1 2.982 0.002 . 1 . . . . . . . . 6233 1 701 . 1 1 68 68 MET H H 1 8.059 0.003 . 1 . . . . . . . . 6233 1 702 . 1 1 68 68 MET N N 15 119.793 0.004 . 1 . . . . . . . . 6233 1 703 . 1 1 68 68 MET CA C 13 56.282 0.000 . 1 . . . . . . . . 6233 1 704 . 1 1 68 68 MET HA H 1 4.489 0.001 . 1 . . . . . . . . 6233 1 705 . 1 1 68 68 MET C C 13 176.685 0.015 . 1 . . . . . . . . 6233 1 706 . 1 1 68 68 MET CB C 13 32.989 0.000 . 1 . . . . . . . . 6233 1 707 . 1 1 68 68 MET HB2 H 1 2.129 0.005 . 1 . . . . . . . . 6233 1 708 . 1 1 68 68 MET CG C 13 32.136 0.000 . 1 . . . . . . . . 6233 1 709 . 1 1 68 68 MET HG2 H 1 2.573 0.003 . 1 . . . . . . . . 6233 1 710 . 1 1 68 68 MET HG3 H 1 2.658 0.004 . 1 . . . . . . . . 6233 1 711 . 1 1 69 69 THR H H 1 8.137 0.002 . 1 . . . . . . . . 6233 1 712 . 1 1 69 69 THR N N 15 115.492 0.000 . 1 . . . . . . . . 6233 1 713 . 1 1 69 69 THR CA C 13 62.867 0.000 . 1 . . . . . . . . 6233 1 714 . 1 1 69 69 THR HA H 1 4.310 0.007 . 1 . . . . . . . . 6233 1 715 . 1 1 69 69 THR C C 13 172.696 0.000 . 1 . . . . . . . . 6233 1 716 . 1 1 69 69 THR CB C 13 69.919 0.000 . 1 . . . . . . . . 6233 1 717 . 1 1 69 69 THR HB H 1 4.311 0.004 . 1 . . . . . . . . 6233 1 718 . 1 1 69 69 THR CG2 C 13 21.720 0.000 . 1 . . . . . . . . 6233 1 719 . 1 1 69 69 THR HG21 H 1 1.221 0.007 . 1 . . . . . . . . 6233 1 720 . 1 1 69 69 THR HG22 H 1 1.221 0.007 . 1 . . . . . . . . 6233 1 721 . 1 1 69 69 THR HG23 H 1 1.221 0.007 . 1 . . . . . . . . 6233 1 722 . 1 1 70 70 ILE H H 1 8.142 0.001 . 1 . . . . . . . . 6233 1 723 . 1 1 70 70 ILE N N 15 122.657 0.000 . 1 . . . . . . . . 6233 1 724 . 1 1 70 70 ILE CA C 13 61.924 0.000 . 1 . . . . . . . . 6233 1 725 . 1 1 70 70 ILE HA H 1 4.158 0.005 . 1 . . . . . . . . 6233 1 726 . 1 1 70 70 ILE C C 13 176.503 0.016 . 1 . . . . . . . . 6233 1 727 . 1 1 70 70 ILE CB C 13 38.556 0.000 . 1 . . . . . . . . 6233 1 728 . 1 1 70 70 ILE HB H 1 1.907 0.005 . 1 . . . . . . . . 6233 1 729 . 1 1 70 70 ILE CG2 C 13 17.782 0.000 . 1 . . . . . . . . 6233 1 730 . 1 1 70 70 ILE HG21 H 1 0.926 0.002 . 1 . . . . . . . . 6233 1 731 . 1 1 70 70 ILE HG22 H 1 0.926 0.002 . 1 . . . . . . . . 6233 1 732 . 1 1 70 70 ILE HG23 H 1 0.926 0.002 . 1 . . . . . . . . 6233 1 733 . 1 1 70 70 ILE CG1 C 13 27.694 0.000 . 1 . . . . . . . . 6233 1 734 . 1 1 70 70 ILE HG12 H 1 1.229 0.002 . 1 . . . . . . . . 6233 1 735 . 1 1 70 70 ILE HG13 H 1 1.523 0.002 . 1 . . . . . . . . 6233 1 736 . 1 1 70 70 ILE CD1 C 13 13.030 0.000 . 1 . . . . . . . . 6233 1 737 . 1 1 70 70 ILE HD11 H 1 0.867 0.007 . 1 . . . . . . . . 6233 1 738 . 1 1 70 70 ILE HD12 H 1 0.867 0.007 . 1 . . . . . . . . 6233 1 739 . 1 1 70 70 ILE HD13 H 1 0.867 0.007 . 1 . . . . . . . . 6233 1 740 . 1 1 71 71 SER H H 1 8.281 0.004 . 1 . . . . . . . . 6233 1 741 . 1 1 71 71 SER N N 15 118.787 0.000 . 1 . . . . . . . . 6233 1 742 . 1 1 71 71 SER CA C 13 58.836 0.000 . 1 . . . . . . . . 6233 1 743 . 1 1 71 71 SER HA H 1 4.448 0.001 . 1 . . . . . . . . 6233 1 744 . 1 1 71 71 SER C C 13 172.560 0.015 . 1 . . . . . . . . 6233 1 745 . 1 1 71 71 SER CB C 13 63.810 0.000 . 1 . . . . . . . . 6233 1 746 . 1 1 71 71 SER HB2 H 1 3.905 0.006 . 1 . . . . . . . . 6233 1 747 . 1 1 72 72 GLN H H 1 8.300 0.003 . 1 . . . . . . . . 6233 1 748 . 1 1 72 72 GLN N N 15 121.820 0.000 . 1 . . . . . . . . 6233 1 749 . 1 1 72 72 GLN CA C 13 56.500 0.000 . 1 . . . . . . . . 6233 1 750 . 1 1 72 72 GLN HA H 1 4.304 0.005 . 1 . . . . . . . . 6233 1 751 . 1 1 72 72 GLN C C 13 175.896 0.015 . 1 . . . . . . . . 6233 1 752 . 1 1 72 72 GLN CB C 13 29.187 0.000 . 1 . . . . . . . . 6233 1 753 . 1 1 72 72 GLN HB2 H 1 2.050 0.002 . 1 . . . . . . . . 6233 1 754 . 1 1 72 72 GLN HB3 H 1 2.150 0.003 . 1 . . . . . . . . 6233 1 755 . 1 1 72 72 GLN CG C 13 34.211 0.000 . 1 . . . . . . . . 6233 1 756 . 1 1 72 72 GLN HG2 H 1 2.386 0.002 . 1 . . . . . . . . 6233 1 757 . 1 1 72 72 GLN NE2 N 15 112.018 0.000 . 1 . . . . . . . . 6233 1 758 . 1 1 72 72 GLN HE21 H 1 6.826 0.000 . 1 . . . . . . . . 6233 1 759 . 1 1 72 72 GLN HE22 H 1 7.509 0.000 . 1 . . . . . . . . 6233 1 760 . 1 1 73 73 GLN H H 1 8.238 0.006 . 1 . . . . . . . . 6233 1 761 . 1 1 73 73 GLN N N 15 120.610 0.000 . 1 . . . . . . . . 6233 1 762 . 1 1 73 73 GLN CA C 13 56.474 0.000 . 1 . . . . . . . . 6233 1 763 . 1 1 73 73 GLN HA H 1 4.247 0.004 . 1 . . . . . . . . 6233 1 764 . 1 1 73 73 GLN C C 13 175.302 0.002 . 1 . . . . . . . . 6233 1 765 . 1 1 73 73 GLN CB C 13 29.459 0.000 . 1 . . . . . . . . 6233 1 766 . 1 1 73 73 GLN HB2 H 1 1.987 0.005 . 1 . . . . . . . . 6233 1 767 . 1 1 73 73 GLN CG C 13 33.939 0.000 . 1 . . . . . . . . 6233 1 768 . 1 1 73 73 GLN HG2 H 1 2.330 0.005 . 1 . . . . . . . . 6233 1 769 . 1 1 73 73 GLN NE2 N 15 112.018 0.000 . 1 . . . . . . . . 6233 1 770 . 1 1 73 73 GLN HE21 H 1 6.828 0.001 . 1 . . . . . . . . 6233 1 771 . 1 1 73 73 GLN HE22 H 1 7.463 0.000 . 1 . . . . . . . . 6233 1 772 . 1 1 74 74 GLU H H 1 8.279 0.001 . 1 . . . . . . . . 6233 1 773 . 1 1 74 74 GLU N N 15 121.226 0.000 . 1 . . . . . . . . 6233 1 774 . 1 1 74 74 GLU CA C 13 56.826 0.000 . 1 . . . . . . . . 6233 1 775 . 1 1 74 74 GLU HA H 1 4.235 0.002 . 1 . . . . . . . . 6233 1 776 . 1 1 74 74 GLU C C 13 176.088 0.000 . 1 . . . . . . . . 6233 1 777 . 1 1 74 74 GLU CB C 13 30.545 0.000 . 1 . . . . . . . . 6233 1 778 . 1 1 74 74 GLU HB2 H 1 1.898 0.002 . 1 . . . . . . . . 6233 1 779 . 1 1 74 74 GLU CG C 13 35.433 0.000 . 1 . . . . . . . . 6233 1 780 . 1 1 74 74 GLU HG2 H 1 2.047 0.002 . 1 . . . . . . . . 6233 1 781 . 1 1 75 75 PHE H H 1 8.222 0.001 . 1 . . . . . . . . 6233 1 782 . 1 1 75 75 PHE N N 15 120.823 0.000 . 1 . . . . . . . . 6233 1 783 . 1 1 75 75 PHE CA C 13 58.243 0.000 . 1 . . . . . . . . 6233 1 784 . 1 1 75 75 PHE HA H 1 4.589 0.007 . 1 . . . . . . . . 6233 1 785 . 1 1 75 75 PHE C C 13 176.246 0.002 . 1 . . . . . . . . 6233 1 786 . 1 1 75 75 PHE CB C 13 39.642 0.000 . 1 . . . . . . . . 6233 1 787 . 1 1 75 75 PHE HB2 H 1 3.046 0.004 . 1 . . . . . . . . 6233 1 788 . 1 1 75 75 PHE HB3 H 1 3.195 0.006 . 1 . . . . . . . . 6233 1 789 . 1 1 75 75 PHE HD1 H 1 7.258 0.004 . 1 . . . . . . . . 6233 1 790 . 1 1 75 75 PHE HE1 H 1 7.314 0.000 . 1 . . . . . . . . 6233 1 791 . 1 1 76 76 GLY H H 1 8.324 0.001 . 1 . . . . . . . . 6233 1 792 . 1 1 76 76 GLY N N 15 109.958 0.000 . 1 . . . . . . . . 6233 1 793 . 1 1 76 76 GLY CA C 13 45.513 0.000 . 1 . . . . . . . . 6233 1 794 . 1 1 76 76 GLY HA2 H 1 3.920 0.001 . 1 . . . . . . . . 6233 1 795 . 1 1 76 76 GLY C C 13 171.055 0.005 . 1 . . . . . . . . 6233 1 796 . 1 1 77 77 ARG H H 1 8.089 0.002 . 1 . . . . . . . . 6233 1 797 . 1 1 77 77 ARG N N 15 120.209 0.000 . 1 . . . . . . . . 6233 1 798 . 1 1 77 77 ARG CA C 13 56.303 0.000 . 1 . . . . . . . . 6233 1 799 . 1 1 77 77 ARG HA H 1 4.436 0.002 . 1 . . . . . . . . 6233 1 800 . 1 1 77 77 ARG C C 13 176.533 0.015 . 1 . . . . . . . . 6233 1 801 . 1 1 77 77 ARG CB C 13 30.952 0.000 . 1 . . . . . . . . 6233 1 802 . 1 1 77 77 ARG HB2 H 1 1.808 0.005 . 1 . . . . . . . . 6233 1 803 . 1 1 77 77 ARG HB3 H 1 1.931 0.005 . 1 . . . . . . . . 6233 1 804 . 1 1 77 77 ARG CG C 13 27.151 0.000 . 1 . . . . . . . . 6233 1 805 . 1 1 77 77 ARG HG2 H 1 1.633 0.005 . 1 . . . . . . . . 6233 1 806 . 1 1 77 77 ARG CD C 13 43.444 0.000 . 1 . . . . . . . . 6233 1 807 . 1 1 77 77 ARG HD2 H 1 3.209 0.002 . 1 . . . . . . . . 6233 1 808 . 1 1 78 78 THR H H 1 8.184 0.003 . 1 . . . . . . . . 6233 1 809 . 1 1 78 78 THR N N 15 114.129 0.000 . 1 . . . . . . . . 6233 1 810 . 1 1 78 78 THR CA C 13 62.056 0.000 . 1 . . . . . . . . 6233 1 811 . 1 1 78 78 THR HA H 1 4.371 0.003 . 1 . . . . . . . . 6233 1 812 . 1 1 78 78 THR C C 13 172.847 0.000 . 1 . . . . . . . . 6233 1 813 . 1 1 78 78 THR CB C 13 69.919 0.000 . 1 . . . . . . . . 6233 1 814 . 1 1 78 78 THR HB H 1 4.229 0.000 . 1 . . . . . . . . 6233 1 815 . 1 1 78 78 THR CG2 C 13 21.584 0.000 . 1 . . . . . . . . 6233 1 816 . 1 1 78 78 THR HG21 H 1 1.228 0.006 . 1 . . . . . . . . 6233 1 817 . 1 1 78 78 THR HG22 H 1 1.228 0.006 . 1 . . . . . . . . 6233 1 818 . 1 1 78 78 THR HG23 H 1 1.228 0.006 . 1 . . . . . . . . 6233 1 819 . 1 1 79 79 GLY H H 1 8.358 0.002 . 1 . . . . . . . . 6233 1 820 . 1 1 79 79 GLY N N 15 110.995 0.000 . 1 . . . . . . . . 6233 1 821 . 1 1 79 79 GLY CA C 13 45.209 0.000 . 1 . . . . . . . . 6233 1 822 . 1 1 79 79 GLY HA2 H 1 3.954 0.007 . 1 . . . . . . . . 6233 1 823 . 1 1 79 79 GLY C C 13 169.678 0.015 . 1 . . . . . . . . 6233 1 824 . 1 1 80 80 LEU H H 1 8.051 0.004 . 1 . . . . . . . . 6233 1 825 . 1 1 80 80 LEU N N 15 122.644 0.000 . 1 . . . . . . . . 6233 1 826 . 1 1 80 80 LEU CA C 13 53.075 0.000 . 1 . . . . . . . . 6233 1 827 . 1 1 80 80 LEU HA H 1 4.616 0.005 . 1 . . . . . . . . 6233 1 828 . 1 1 80 80 LEU C C 13 173.394 0.000 . 1 . . . . . . . . 6233 1 829 . 1 1 80 80 LEU CB C 13 41.950 0.000 . 1 . . . . . . . . 6233 1 830 . 1 1 80 80 LEU HB2 H 1 1.579 0.004 . 1 . . . . . . . . 6233 1 831 . 1 1 80 80 LEU CG C 13 27.151 0.000 . 1 . . . . . . . . 6233 1 832 . 1 1 80 80 LEU CD1 C 13 23.621 0.000 . 1 . . . . . . . . 6233 1 833 . 1 1 80 80 LEU HD11 H 1 0.922 0.000 . 1 . . . . . . . . 6233 1 834 . 1 1 80 80 LEU HD12 H 1 0.922 0.000 . 1 . . . . . . . . 6233 1 835 . 1 1 80 80 LEU HD13 H 1 0.922 0.000 . 1 . . . . . . . . 6233 1 836 . 1 1 80 80 LEU CD2 C 13 25.386 0.000 . 1 . . . . . . . . 6233 1 837 . 1 1 80 80 LEU HD21 H 1 0.938 0.000 . 1 . . . . . . . . 6233 1 838 . 1 1 80 80 LEU HD22 H 1 0.938 0.000 . 1 . . . . . . . . 6233 1 839 . 1 1 80 80 LEU HD23 H 1 0.938 0.000 . 1 . . . . . . . . 6233 1 840 . 1 1 80 80 LEU HG H 1 1.648 0.003 . 1 . . . . . . . . 6233 1 841 . 1 1 81 81 PRO CA C 13 62.995 0.000 . 1 . . . . . . . . 6233 1 842 . 1 1 81 81 PRO HA H 1 4.369 0.003 . 1 . . . . . . . . 6233 1 843 . 1 1 81 81 PRO C C 13 174.668 0.000 . 1 . . . . . . . . 6233 1 844 . 1 1 81 81 PRO CB C 13 32.174 0.000 . 1 . . . . . . . . 6233 1 845 . 1 1 81 81 PRO HB2 H 1 1.696 0.005 . 1 . . . . . . . . 6233 1 846 . 1 1 81 81 PRO HB3 H 1 2.122 0.006 . 1 . . . . . . . . 6233 1 847 . 1 1 81 81 PRO CG C 13 27.287 0.000 . 1 . . . . . . . . 6233 1 848 . 1 1 81 81 PRO HG2 H 1 1.850 0.005 . 1 . . . . . . . . 6233 1 849 . 1 1 81 81 PRO CD C 13 50.501 0.005 . 1 . . . . . . . . 6233 1 850 . 1 1 81 81 PRO HD2 H 1 3.570 0.004 . 1 . . . . . . . . 6233 1 851 . 1 1 81 81 PRO HD3 H 1 3.771 0.004 . 1 . . . . . . . . 6233 1 852 . 1 1 82 82 ASP H H 1 8.308 0.002 . 1 . . . . . . . . 6233 1 853 . 1 1 82 82 ASP N N 15 119.550 0.000 . 1 . . . . . . . . 6233 1 854 . 1 1 82 82 ASP CA C 13 53.627 0.000 . 1 . . . . . . . . 6233 1 855 . 1 1 82 82 ASP HA H 1 4.604 0.003 . 1 . . . . . . . . 6233 1 856 . 1 1 82 82 ASP C C 13 176.851 0.000 . 1 . . . . . . . . 6233 1 857 . 1 1 82 82 ASP CB C 13 40.864 0.000 . 1 . . . . . . . . 6233 1 858 . 1 1 82 82 ASP HB2 H 1 2.607 0.003 . 1 . . . . . . . . 6233 1 859 . 1 1 82 82 ASP HB3 H 1 2.756 0.002 . 1 . . . . . . . . 6233 1 860 . 1 1 83 83 LEU H H 1 8.355 0.001 . 1 . . . . . . . . 6233 1 861 . 1 1 83 83 LEU N N 15 125.524 0.000 . 1 . . . . . . . . 6233 1 862 . 1 1 83 83 LEU CA C 13 56.478 0.000 . 1 . . . . . . . . 6233 1 863 . 1 1 83 83 LEU HA H 1 4.232 0.004 . 1 . . . . . . . . 6233 1 864 . 1 1 83 83 LEU C C 13 180.476 0.015 . 1 . . . . . . . . 6233 1 865 . 1 1 83 83 LEU CB C 13 41.950 0.000 . 1 . . . . . . . . 6233 1 866 . 1 1 83 83 LEU HB2 H 1 1.604 0.004 . 1 . . . . . . . . 6233 1 867 . 1 1 83 83 LEU CG C 13 27.422 0.000 . 1 . . . . . . . . 6233 1 868 . 1 1 83 83 LEU CD1 C 13 23.349 0.000 . 1 . . . . . . . . 6233 1 869 . 1 1 83 83 LEU HD11 H 1 0.707 0.005 . 1 . . . . . . . . 6233 1 870 . 1 1 83 83 LEU HD12 H 1 0.707 0.005 . 1 . . . . . . . . 6233 1 871 . 1 1 83 83 LEU HD13 H 1 0.707 0.005 . 1 . . . . . . . . 6233 1 872 . 1 1 83 83 LEU CD2 C 13 25.386 0.000 . 1 . . . . . . . . 6233 1 873 . 1 1 83 83 LEU HD21 H 1 0.877 0.005 . 1 . . . . . . . . 6233 1 874 . 1 1 83 83 LEU HD22 H 1 0.877 0.005 . 1 . . . . . . . . 6233 1 875 . 1 1 83 83 LEU HD23 H 1 0.877 0.005 . 1 . . . . . . . . 6233 1 876 . 1 1 83 83 LEU HG H 1 1.612 0.000 . 1 . . . . . . . . 6233 1 877 . 1 1 84 84 SER H H 1 8.241 0.003 . 1 . . . . . . . . 6233 1 878 . 1 1 84 84 SER N N 15 113.865 0.000 . 1 . . . . . . . . 6233 1 879 . 1 1 84 84 SER CA C 13 60.500 0.000 . 1 . . . . . . . . 6233 1 880 . 1 1 84 84 SER HA H 1 4.245 0.006 . 1 . . . . . . . . 6233 1 881 . 1 1 84 84 SER C C 13 173.014 0.016 . 1 . . . . . . . . 6233 1 882 . 1 1 84 84 SER CB C 13 63.402 0.000 . 1 . . . . . . . . 6233 1 883 . 1 1 84 84 SER HB2 H 1 3.936 0.004 . 1 . . . . . . . . 6233 1 884 . 1 1 85 85 SER H H 1 7.867 0.003 . 1 . . . . . . . . 6233 1 885 . 1 1 85 85 SER N N 15 116.109 0.002 . 1 . . . . . . . . 6233 1 886 . 1 1 85 85 SER CA C 13 58.369 0.000 . 1 . . . . . . . . 6233 1 887 . 1 1 85 85 SER HA H 1 4.532 0.001 . 1 . . . . . . . . 6233 1 888 . 1 1 85 85 SER C C 13 171.013 0.015 . 1 . . . . . . . . 6233 1 889 . 1 1 85 85 SER CB C 13 63.945 0.000 . 1 . . . . . . . . 6233 1 890 . 1 1 85 85 SER HB2 H 1 3.877 0.007 . 1 . . . . . . . . 6233 1 891 . 1 1 85 85 SER HB3 H 1 3.929 0.004 . 1 . . . . . . . . 6233 1 892 . 1 1 86 86 MET H H 1 7.675 0.004 . 1 . . . . . . . . 6233 1 893 . 1 1 86 86 MET N N 15 122.005 0.000 . 1 . . . . . . . . 6233 1 894 . 1 1 86 86 MET CA C 13 55.935 0.000 . 1 . . . . . . . . 6233 1 895 . 1 1 86 86 MET HA H 1 4.630 0.003 . 1 . . . . . . . . 6233 1 896 . 1 1 86 86 MET C C 13 177.291 0.015 . 1 . . . . . . . . 6233 1 897 . 1 1 86 86 MET CB C 13 35.433 0.000 . 1 . . . . . . . . 6233 1 898 . 1 1 86 86 MET HB2 H 1 2.049 0.003 . 1 . . . . . . . . 6233 1 899 . 1 1 86 86 MET HB3 H 1 2.210 0.003 . 1 . . . . . . . . 6233 1 900 . 1 1 86 86 MET CG C 13 32.960 0.000 . 1 . . . . . . . . 6233 1 901 . 1 1 86 86 MET HG2 H 1 2.490 0.005 . 1 . . . . . . . . 6233 1 902 . 1 1 86 86 MET HG3 H 1 2.590 0.003 . 1 . . . . . . . . 6233 1 903 . 1 1 86 86 MET CE C 13 17.511 0.000 . 1 . . . . . . . . 6233 1 904 . 1 1 86 86 MET HE1 H 1 1.752 0.004 . 1 . . . . . . . . 6233 1 905 . 1 1 86 86 MET HE2 H 1 1.752 0.004 . 1 . . . . . . . . 6233 1 906 . 1 1 86 86 MET HE3 H 1 1.752 0.004 . 1 . . . . . . . . 6233 1 907 . 1 1 87 87 THR H H 1 8.813 0.003 . 1 . . . . . . . . 6233 1 908 . 1 1 87 87 THR N N 15 114.258 0.000 . 1 . . . . . . . . 6233 1 909 . 1 1 87 87 THR CA C 13 61.517 0.000 . 1 . . . . . . . . 6233 1 910 . 1 1 87 87 THR HA H 1 4.395 0.002 . 1 . . . . . . . . 6233 1 911 . 1 1 87 87 THR C C 13 173.803 0.015 . 1 . . . . . . . . 6233 1 912 . 1 1 87 87 THR CB C 13 70.885 0.000 . 1 . . . . . . . . 6233 1 913 . 1 1 87 87 THR HB H 1 4.712 0.005 . 1 . . . . . . . . 6233 1 914 . 1 1 87 87 THR CG2 C 13 21.856 0.000 . 1 . . . . . . . . 6233 1 915 . 1 1 87 87 THR HG21 H 1 1.370 0.004 . 1 . . . . . . . . 6233 1 916 . 1 1 87 87 THR HG22 H 1 1.370 0.004 . 1 . . . . . . . . 6233 1 917 . 1 1 87 87 THR HG23 H 1 1.370 0.004 . 1 . . . . . . . . 6233 1 918 . 1 1 88 88 GLU H H 1 8.980 0.002 . 1 . . . . . . . . 6233 1 919 . 1 1 88 88 GLU N N 15 122.248 0.000 . 1 . . . . . . . . 6233 1 920 . 1 1 88 88 GLU CA C 13 60.246 0.000 . 1 . . . . . . . . 6233 1 921 . 1 1 88 88 GLU HA H 1 3.982 0.002 . 1 . . . . . . . . 6233 1 922 . 1 1 88 88 GLU C C 13 180.573 0.009 . 1 . . . . . . . . 6233 1 923 . 1 1 88 88 GLU CB C 13 29.595 0.000 . 1 . . . . . . . . 6233 1 924 . 1 1 88 88 GLU HB2 H 1 2.071 0.004 . 1 . . . . . . . . 6233 1 925 . 1 1 88 88 GLU CG C 13 36.519 0.000 . 1 . . . . . . . . 6233 1 926 . 1 1 88 88 GLU HG2 H 1 2.297 0.005 . 1 . . . . . . . . 6233 1 927 . 1 1 88 88 GLU HG3 H 1 2.359 0.008 . 1 . . . . . . . . 6233 1 928 . 1 1 89 89 GLU H H 1 8.703 0.002 . 1 . . . . . . . . 6233 1 929 . 1 1 89 89 GLU N N 15 117.720 0.000 . 1 . . . . . . . . 6233 1 930 . 1 1 89 89 GLU CA C 13 60.029 0.000 . 1 . . . . . . . . 6233 1 931 . 1 1 89 89 GLU HA H 1 4.013 0.007 . 1 . . . . . . . . 6233 1 932 . 1 1 89 89 GLU C C 13 182.988 0.008 . 1 . . . . . . . . 6233 1 933 . 1 1 89 89 GLU CB C 13 29.187 0.000 . 1 . . . . . . . . 6233 1 934 . 1 1 89 89 GLU HB2 H 1 1.994 0.001 . 1 . . . . . . . . 6233 1 935 . 1 1 89 89 GLU HB3 H 1 2.077 0.008 . 1 . . . . . . . . 6233 1 936 . 1 1 89 89 GLU CG C 13 36.926 0.000 . 1 . . . . . . . . 6233 1 937 . 1 1 89 89 GLU HG2 H 1 2.355 0.004 . 1 . . . . . . . . 6233 1 938 . 1 1 90 90 GLU H H 1 7.823 0.002 . 1 . . . . . . . . 6233 1 939 . 1 1 90 90 GLU N N 15 120.811 0.000 . 1 . . . . . . . . 6233 1 940 . 1 1 90 90 GLU CA C 13 58.975 0.000 . 1 . . . . . . . . 6233 1 941 . 1 1 90 90 GLU HA H 1 4.081 0.008 . 1 . . . . . . . . 6233 1 942 . 1 1 90 90 GLU C C 13 181.951 0.004 . 1 . . . . . . . . 6233 1 943 . 1 1 90 90 GLU CB C 13 29.459 0.000 . 1 . . . . . . . . 6233 1 944 . 1 1 90 90 GLU HB2 H 1 2.010 0.002 . 1 . . . . . . . . 6233 1 945 . 1 1 90 90 GLU CG C 13 37.470 0.000 . 1 . . . . . . . . 6233 1 946 . 1 1 90 90 GLU HG2 H 1 2.309 0.004 . 1 . . . . . . . . 6233 1 947 . 1 1 90 90 GLU HG3 H 1 2.383 0.005 . 1 . . . . . . . . 6233 1 948 . 1 1 91 91 GLN H H 1 8.594 0.002 . 1 . . . . . . . . 6233 1 949 . 1 1 91 91 GLN N N 15 120.819 0.000 . 1 . . . . . . . . 6233 1 950 . 1 1 91 91 GLN CA C 13 59.440 0.000 . 1 . . . . . . . . 6233 1 951 . 1 1 91 91 GLN HA H 1 4.089 0.003 . 1 . . . . . . . . 6233 1 952 . 1 1 91 91 GLN C C 13 181.643 0.000 . 1 . . . . . . . . 6233 1 953 . 1 1 91 91 GLN CB C 13 28.509 0.000 . 1 . . . . . . . . 6233 1 954 . 1 1 91 91 GLN HB2 H 1 2.189 0.003 . 1 . . . . . . . . 6233 1 955 . 1 1 91 91 GLN CG C 13 34.890 0.000 . 1 . . . . . . . . 6233 1 956 . 1 1 91 91 GLN HG2 H 1 2.306 0.006 . 1 . . . . . . . . 6233 1 957 . 1 1 91 91 GLN HG3 H 1 2.598 0.003 . 1 . . . . . . . . 6233 1 958 . 1 1 91 91 GLN NE2 N 15 111.609 0.000 . 1 . . . . . . . . 6233 1 959 . 1 1 91 91 GLN HE21 H 1 6.767 0.001 . 1 . . . . . . . . 6233 1 960 . 1 1 91 91 GLN HE22 H 1 7.028 0.002 . 1 . . . . . . . . 6233 1 961 . 1 1 92 92 ILE H H 1 8.111 0.002 . 1 . . . . . . . . 6233 1 962 . 1 1 92 92 ILE N N 15 121.446 0.000 . 1 . . . . . . . . 6233 1 963 . 1 1 92 92 ILE CA C 13 64.598 0.000 . 1 . . . . . . . . 6233 1 964 . 1 1 92 92 ILE HA H 1 3.829 0.003 . 1 . . . . . . . . 6233 1 965 . 1 1 92 92 ILE C C 13 179.809 0.016 . 1 . . . . . . . . 6233 1 966 . 1 1 92 92 ILE CB C 13 38.420 0.000 . 1 . . . . . . . . 6233 1 967 . 1 1 92 92 ILE HB H 1 1.909 0.003 . 1 . . . . . . . . 6233 1 968 . 1 1 92 92 ILE CG2 C 13 17.239 0.000 . 1 . . . . . . . . 6233 1 969 . 1 1 92 92 ILE HG21 H 1 0.957 0.002 . 1 . . . . . . . . 6233 1 970 . 1 1 92 92 ILE HG22 H 1 0.957 0.002 . 1 . . . . . . . . 6233 1 971 . 1 1 92 92 ILE HG23 H 1 0.957 0.002 . 1 . . . . . . . . 6233 1 972 . 1 1 92 92 ILE CG1 C 13 29.187 0.000 . 1 . . . . . . . . 6233 1 973 . 1 1 92 92 ILE HG12 H 1 1.184 0.003 . 1 . . . . . . . . 6233 1 974 . 1 1 92 92 ILE HG13 H 1 1.783 0.002 . 1 . . . . . . . . 6233 1 975 . 1 1 92 92 ILE CD1 C 13 13.302 0.000 . 1 . . . . . . . . 6233 1 976 . 1 1 92 92 ILE HD11 H 1 0.880 0.003 . 1 . . . . . . . . 6233 1 977 . 1 1 92 92 ILE HD12 H 1 0.880 0.003 . 1 . . . . . . . . 6233 1 978 . 1 1 92 92 ILE HD13 H 1 0.880 0.003 . 1 . . . . . . . . 6233 1 979 . 1 1 93 93 ALA H H 1 7.790 0.001 . 1 . . . . . . . . 6233 1 980 . 1 1 93 93 ALA N N 15 122.855 0.000 . 1 . . . . . . . . 6233 1 981 . 1 1 93 93 ALA CA C 13 54.992 0.000 . 1 . . . . . . . . 6233 1 982 . 1 1 93 93 ALA HA H 1 4.183 0.006 . 1 . . . . . . . . 6233 1 983 . 1 1 93 93 ALA C C 13 184.115 0.015 . 1 . . . . . . . . 6233 1 984 . 1 1 93 93 ALA CB C 13 17.782 0.000 . 1 . . . . . . . . 6233 1 985 . 1 1 93 93 ALA HB1 H 1 1.499 0.003 . 1 . . . . . . . . 6233 1 986 . 1 1 93 93 ALA HB2 H 1 1.499 0.003 . 1 . . . . . . . . 6233 1 987 . 1 1 93 93 ALA HB3 H 1 1.499 0.003 . 1 . . . . . . . . 6233 1 988 . 1 1 94 94 TYR H H 1 8.347 0.003 . 1 . . . . . . . . 6233 1 989 . 1 1 94 94 TYR N N 15 119.995 0.001 . 1 . . . . . . . . 6233 1 990 . 1 1 94 94 TYR CA C 13 61.094 0.000 . 1 . . . . . . . . 6233 1 991 . 1 1 94 94 TYR HA H 1 4.233 0.004 . 1 . . . . . . . . 6233 1 992 . 1 1 94 94 TYR C C 13 177.852 0.000 . 1 . . . . . . . . 6233 1 993 . 1 1 94 94 TYR CB C 13 38.692 0.000 . 1 . . . . . . . . 6233 1 994 . 1 1 94 94 TYR HB2 H 1 3.111 0.007 . 1 . . . . . . . . 6233 1 995 . 1 1 94 94 TYR HD1 H 1 7.093 0.003 . 1 . . . . . . . . 6233 1 996 . 1 1 94 94 TYR HE1 H 1 6.794 0.004 . 1 . . . . . . . . 6233 1 997 . 1 1 95 95 ALA H H 1 8.125 0.003 . 1 . . . . . . . . 6233 1 998 . 1 1 95 95 ALA N N 15 121.638 0.000 . 1 . . . . . . . . 6233 1 999 . 1 1 95 95 ALA CA C 13 54.779 0.000 . 1 . . . . . . . . 6233 1 1000 . 1 1 95 95 ALA HA H 1 4.016 0.003 . 1 . . . . . . . . 6233 1 1001 . 1 1 95 95 ALA C C 13 184.874 0.016 . 1 . . . . . . . . 6233 1 1002 . 1 1 95 95 ALA CB C 13 18.190 0.000 . 1 . . . . . . . . 6233 1 1003 . 1 1 95 95 ALA HB1 H 1 1.549 0.003 . 1 . . . . . . . . 6233 1 1004 . 1 1 95 95 ALA HB2 H 1 1.549 0.003 . 1 . . . . . . . . 6233 1 1005 . 1 1 95 95 ALA HB3 H 1 1.549 0.003 . 1 . . . . . . . . 6233 1 1006 . 1 1 96 96 MET H H 1 8.086 0.003 . 1 . . . . . . . . 6233 1 1007 . 1 1 96 96 MET N N 15 117.457 0.000 . 1 . . . . . . . . 6233 1 1008 . 1 1 96 96 MET CA C 13 57.791 0.000 . 1 . . . . . . . . 6233 1 1009 . 1 1 96 96 MET HA H 1 4.273 0.004 . 1 . . . . . . . . 6233 1 1010 . 1 1 96 96 MET C C 13 180.051 0.015 . 1 . . . . . . . . 6233 1 1011 . 1 1 96 96 MET CB C 13 32.174 0.000 . 1 . . . . . . . . 6233 1 1012 . 1 1 96 96 MET HB2 H 1 2.193 0.004 . 1 . . . . . . . . 6233 1 1013 . 1 1 96 96 MET CG C 13 32.183 0.010 . 1 . . . . . . . . 6233 1 1014 . 1 1 96 96 MET HG2 H 1 2.619 0.003 . 1 . . . . . . . . 6233 1 1015 . 1 1 96 96 MET HG3 H 1 2.709 0.005 . 1 . . . . . . . . 6233 1 1016 . 1 1 96 96 MET CE C 13 17.104 0.000 . 1 . . . . . . . . 6233 1 1017 . 1 1 96 96 MET HE1 H 1 2.095 0.000 . 1 . . . . . . . . 6233 1 1018 . 1 1 96 96 MET HE2 H 1 2.095 0.000 . 1 . . . . . . . . 6233 1 1019 . 1 1 96 96 MET HE3 H 1 2.095 0.000 . 1 . . . . . . . . 6233 1 1020 . 1 1 97 97 GLN H H 1 7.985 0.002 . 1 . . . . . . . . 6233 1 1021 . 1 1 97 97 GLN N N 15 119.794 0.000 . 1 . . . . . . . . 6233 1 1022 . 1 1 97 97 GLN CA C 13 58.107 0.000 . 1 . . . . . . . . 6233 1 1023 . 1 1 97 97 GLN HA H 1 4.097 0.004 . 1 . . . . . . . . 6233 1 1024 . 1 1 97 97 GLN C C 13 179.323 0.015 . 1 . . . . . . . . 6233 1 1025 . 1 1 97 97 GLN CB C 13 28.509 0.000 . 1 . . . . . . . . 6233 1 1026 . 1 1 97 97 GLN HB2 H 1 2.102 0.006 . 1 . . . . . . . . 6233 1 1027 . 1 1 97 97 GLN CG C 13 33.668 0.000 . 1 . . . . . . . . 6233 1 1028 . 1 1 97 97 GLN HG2 H 1 2.352 0.004 . 1 . . . . . . . . 6233 1 1029 . 1 1 97 97 GLN HG3 H 1 2.425 0.002 . 1 . . . . . . . . 6233 1 1030 . 1 1 97 97 GLN NE2 N 15 111.404 0.000 . 1 . . . . . . . . 6233 1 1031 . 1 1 97 97 GLN HE21 H 1 6.776 0.002 . 1 . . . . . . . . 6233 1 1032 . 1 1 97 97 GLN HE22 H 1 7.337 0.002 . 1 . . . . . . . . 6233 1 1033 . 1 1 98 98 MET H H 1 8.044 0.003 . 1 . . . . . . . . 6233 1 1034 . 1 1 98 98 MET N N 15 118.067 0.000 . 1 . . . . . . . . 6233 1 1035 . 1 1 98 98 MET CA C 13 56.458 0.000 . 1 . . . . . . . . 6233 1 1036 . 1 1 98 98 MET HA H 1 4.321 0.006 . 1 . . . . . . . . 6233 1 1037 . 1 1 98 98 MET C C 13 178.990 0.016 . 1 . . . . . . . . 6233 1 1038 . 1 1 98 98 MET CB C 13 32.174 0.000 . 1 . . . . . . . . 6233 1 1039 . 1 1 98 98 MET HB2 H 1 1.949 0.005 . 1 . . . . . . . . 6233 1 1040 . 1 1 98 98 MET CG C 13 32.174 0.000 . 1 . . . . . . . . 6233 1 1041 . 1 1 98 98 MET HG2 H 1 2.187 0.001 . 1 . . . . . . . . 6233 1 1042 . 1 1 98 98 MET HG3 H 1 2.361 0.006 . 1 . . . . . . . . 6233 1 1043 . 1 1 98 98 MET CE C 13 17.239 0.000 . 1 . . . . . . . . 6233 1 1044 . 1 1 98 98 MET HE1 H 1 1.973 0.000 . 1 . . . . . . . . 6233 1 1045 . 1 1 98 98 MET HE2 H 1 1.973 0.000 . 1 . . . . . . . . 6233 1 1046 . 1 1 98 98 MET HE3 H 1 1.973 0.000 . 1 . . . . . . . . 6233 1 1047 . 1 1 99 99 SER H H 1 7.923 0.002 . 1 . . . . . . . . 6233 1 1048 . 1 1 99 99 SER N N 15 115.505 0.000 . 1 . . . . . . . . 6233 1 1049 . 1 1 99 99 SER CA C 13 59.823 0.000 . 1 . . . . . . . . 6233 1 1050 . 1 1 99 99 SER HA H 1 4.368 0.003 . 1 . . . . . . . . 6233 1 1051 . 1 1 99 99 SER C C 13 173.440 0.002 . 1 . . . . . . . . 6233 1 1052 . 1 1 99 99 SER CB C 13 63.402 0.000 . 1 . . . . . . . . 6233 1 1053 . 1 1 99 99 SER HB2 H 1 3.972 0.001 . 1 . . . . . . . . 6233 1 1054 . 1 1 100 100 LEU H H 1 7.860 0.003 . 1 . . . . . . . . 6233 1 1055 . 1 1 100 100 LEU N N 15 122.455 0.000 . 1 . . . . . . . . 6233 1 1056 . 1 1 100 100 LEU CA C 13 55.938 0.000 . 1 . . . . . . . . 6233 1 1057 . 1 1 100 100 LEU HA H 1 4.311 0.002 . 1 . . . . . . . . 6233 1 1058 . 1 1 100 100 LEU C C 13 179.141 0.015 . 1 . . . . . . . . 6233 1 1059 . 1 1 100 100 LEU CB C 13 42.086 0.000 . 1 . . . . . . . . 6233 1 1060 . 1 1 100 100 LEU HB2 H 1 1.604 0.003 . 1 . . . . . . . . 6233 1 1061 . 1 1 100 100 LEU HB3 H 1 1.736 0.008 . 1 . . . . . . . . 6233 1 1062 . 1 1 100 100 LEU CD1 C 13 23.349 0.000 . 1 . . . . . . . . 6233 1 1063 . 1 1 100 100 LEU HD11 H 1 0.858 0.001 . 1 . . . . . . . . 6233 1 1064 . 1 1 100 100 LEU HD12 H 1 0.858 0.001 . 1 . . . . . . . . 6233 1 1065 . 1 1 100 100 LEU HD13 H 1 0.858 0.001 . 1 . . . . . . . . 6233 1 1066 . 1 1 100 100 LEU CD2 C 13 24.843 0.000 . 1 . . . . . . . . 6233 1 1067 . 1 1 100 100 LEU HD21 H 1 0.911 0.000 . 1 . . . . . . . . 6233 1 1068 . 1 1 100 100 LEU HD22 H 1 0.911 0.000 . 1 . . . . . . . . 6233 1 1069 . 1 1 100 100 LEU HD23 H 1 0.911 0.000 . 1 . . . . . . . . 6233 1 1070 . 1 1 101 101 GLN H H 1 8.041 0.002 . 1 . . . . . . . . 6233 1 1071 . 1 1 101 101 GLN N N 15 119.169 0.000 . 1 . . . . . . . . 6233 1 1072 . 1 1 101 101 GLN CA C 13 56.448 0.000 . 1 . . . . . . . . 6233 1 1073 . 1 1 101 101 GLN HA H 1 4.318 0.006 . 1 . . . . . . . . 6233 1 1074 . 1 1 101 101 GLN C C 13 176.486 0.002 . 1 . . . . . . . . 6233 1 1075 . 1 1 101 101 GLN CB C 13 29.459 0.000 . 1 . . . . . . . . 6233 1 1076 . 1 1 101 101 GLN HB2 H 1 2.049 0.000 . 1 . . . . . . . . 6233 1 1077 . 1 1 101 101 GLN HB3 H 1 2.154 0.000 . 1 . . . . . . . . 6233 1 1078 . 1 1 101 101 GLN CG C 13 33.939 0.000 . 1 . . . . . . . . 6233 1 1079 . 1 1 101 101 GLN HG2 H 1 2.386 0.000 . 1 . . . . . . . . 6233 1 1080 . 1 1 101 101 GLN NE2 N 15 112.018 0.000 . 1 . . . . . . . . 6233 1 1081 . 1 1 101 101 GLN HE21 H 1 6.797 0.000 . 1 . . . . . . . . 6233 1 1082 . 1 1 101 101 GLN HE22 H 1 7.442 0.000 . 1 . . . . . . . . 6233 1 1083 . 1 1 102 102 GLY H H 1 8.271 0.003 . 1 . . . . . . . . 6233 1 1084 . 1 1 102 102 GLY N N 15 109.362 0.000 . 1 . . . . . . . . 6233 1 1085 . 1 1 102 102 GLY CA C 13 45.390 0.000 . 1 . . . . . . . . 6233 1 1086 . 1 1 102 102 GLY HA2 H 1 3.988 0.000 . 1 . . . . . . . . 6233 1 1087 . 1 1 102 102 GLY C C 13 170.850 0.008 . 1 . . . . . . . . 6233 1 1088 . 1 1 103 103 ALA H H 1 8.065 0.009 . 1 . . . . . . . . 6233 1 1089 . 1 1 103 103 ALA N N 15 123.530 0.000 . 1 . . . . . . . . 6233 1 1090 . 1 1 103 103 ALA CA C 13 52.789 0.000 . 1 . . . . . . . . 6233 1 1091 . 1 1 103 103 ALA HA H 1 4.301 0.003 . 1 . . . . . . . . 6233 1 1092 . 1 1 103 103 ALA C C 13 179.182 0.000 . 1 . . . . . . . . 6233 1 1093 . 1 1 103 103 ALA CB C 13 19.412 0.000 . 1 . . . . . . . . 6233 1 1094 . 1 1 103 103 ALA HB1 H 1 1.370 0.004 . 1 . . . . . . . . 6233 1 1095 . 1 1 103 103 ALA HB2 H 1 1.370 0.004 . 1 . . . . . . . . 6233 1 1096 . 1 1 103 103 ALA HB3 H 1 1.370 0.004 . 1 . . . . . . . . 6233 1 1097 . 1 1 104 104 GLU H H 1 8.429 0.003 . 1 . . . . . . . . 6233 1 1098 . 1 1 104 104 GLU N N 15 119.391 0.000 . 1 . . . . . . . . 6233 1 1099 . 1 1 104 104 GLU CA C 13 56.847 0.000 . 1 . . . . . . . . 6233 1 1100 . 1 1 104 104 GLU HA H 1 4.211 0.005 . 1 . . . . . . . . 6233 1 1101 . 1 1 104 104 GLU C C 13 175.866 0.015 . 1 . . . . . . . . 6233 1 1102 . 1 1 104 104 GLU CB C 13 29.866 0.000 . 1 . . . . . . . . 6233 1 1103 . 1 1 104 104 GLU HB2 H 1 1.857 0.004 . 1 . . . . . . . . 6233 1 1104 . 1 1 104 104 GLU HB3 H 1 1.927 0.004 . 1 . . . . . . . . 6233 1 1105 . 1 1 104 104 GLU CG C 13 36.248 0.000 . 1 . . . . . . . . 6233 1 1106 . 1 1 104 104 GLU HG2 H 1 2.055 0.001 . 1 . . . . . . . . 6233 1 1107 . 1 1 104 104 GLU HG3 H 1 2.165 0.004 . 1 . . . . . . . . 6233 1 1108 . 1 1 105 105 PHE H H 1 8.138 0.003 . 1 . . . . . . . . 6233 1 1109 . 1 1 105 105 PHE N N 15 120.527 0.000 . 1 . . . . . . . . 6233 1 1110 . 1 1 105 105 PHE CA C 13 57.995 0.000 . 1 . . . . . . . . 6233 1 1111 . 1 1 105 105 PHE HA H 1 4.625 0.009 . 1 . . . . . . . . 6233 1 1112 . 1 1 105 105 PHE C C 13 175.822 0.002 . 1 . . . . . . . . 6233 1 1113 . 1 1 105 105 PHE CB C 13 39.642 0.000 . 1 . . . . . . . . 6233 1 1114 . 1 1 105 105 PHE HB2 H 1 3.032 0.004 . 1 . . . . . . . . 6233 1 1115 . 1 1 105 105 PHE HB3 H 1 3.194 0.005 . 1 . . . . . . . . 6233 1 1116 . 1 1 105 105 PHE HD1 H 1 7.257 0.000 . 1 . . . . . . . . 6233 1 1117 . 1 1 105 105 PHE HE1 H 1 7.320 0.001 . 1 . . . . . . . . 6233 1 1118 . 1 1 106 106 GLY H H 1 8.258 0.002 . 1 . . . . . . . . 6233 1 1119 . 1 1 106 106 GLY N N 15 110.379 0.000 . 1 . . . . . . . . 6233 1 1120 . 1 1 106 106 GLY CA C 13 45.375 0.000 . 1 . . . . . . . . 6233 1 1121 . 1 1 106 106 GLY HA2 H 1 3.910 0.000 . 1 . . . . . . . . 6233 1 1122 . 1 1 106 106 GLY C C 13 170.482 0.000 . 1 . . . . . . . . 6233 1 1123 . 1 1 107 107 GLN H H 1 8.140 0.004 . 1 . . . . . . . . 6233 1 1124 . 1 1 107 107 GLN N N 15 119.917 0.000 . 1 . . . . . . . . 6233 1 1125 . 1 1 107 107 GLN CA C 13 55.663 0.000 . 1 . . . . . . . . 6233 1 1126 . 1 1 107 107 GLN HA H 1 4.351 0.003 . 1 . . . . . . . . 6233 1 1127 . 1 1 107 107 GLN C C 13 174.425 0.000 . 1 . . . . . . . . 6233 1 1128 . 1 1 107 107 GLN CB C 13 29.595 0.000 . 1 . . . . . . . . 6233 1 1129 . 1 1 107 107 GLN HB2 H 1 1.987 0.003 . 1 . . . . . . . . 6233 1 1130 . 1 1 107 107 GLN HB3 H 1 2.132 0.003 . 1 . . . . . . . . 6233 1 1131 . 1 1 107 107 GLN CG C 13 33.804 0.000 . 1 . . . . . . . . 6233 1 1132 . 1 1 107 107 GLN HG2 H 1 2.353 0.004 . 1 . . . . . . . . 6233 1 1133 . 1 1 107 107 GLN NE2 N 15 112.427 0.000 . 1 . . . . . . . . 6233 1 1134 . 1 1 107 107 GLN HE21 H 1 6.825 0.000 . 1 . . . . . . . . 6233 1 1135 . 1 1 107 107 GLN HE22 H 1 7.543 0.000 . 1 . . . . . . . . 6233 1 1136 . 1 1 108 108 ALA H H 1 8.373 0.005 . 1 . . . . . . . . 6233 1 1137 . 1 1 108 108 ALA N N 15 125.524 0.000 . 1 . . . . . . . . 6233 1 1138 . 1 1 108 108 ALA CA C 13 52.590 0.000 . 1 . . . . . . . . 6233 1 1139 . 1 1 108 108 ALA HA H 1 4.351 0.003 . 1 . . . . . . . . 6233 1 1140 . 1 1 108 108 ALA C C 13 178.898 0.016 . 1 . . . . . . . . 6233 1 1141 . 1 1 108 108 ALA CB C 13 19.412 0.000 . 1 . . . . . . . . 6233 1 1142 . 1 1 108 108 ALA HB1 H 1 1.397 0.003 . 1 . . . . . . . . 6233 1 1143 . 1 1 108 108 ALA HB2 H 1 1.397 0.003 . 1 . . . . . . . . 6233 1 1144 . 1 1 108 108 ALA HB3 H 1 1.397 0.003 . 1 . . . . . . . . 6233 1 1145 . 1 1 109 109 GLU H H 1 8.431 0.002 . 1 . . . . . . . . 6233 1 1146 . 1 1 109 109 GLU N N 15 120.217 0.000 . 1 . . . . . . . . 6233 1 1147 . 1 1 109 109 GLU CA C 13 56.610 0.000 . 1 . . . . . . . . 6233 1 1148 . 1 1 109 109 GLU HA H 1 4.328 0.004 . 1 . . . . . . . . 6233 1 1149 . 1 1 109 109 GLU C C 13 176.048 0.016 . 1 . . . . . . . . 6233 1 1150 . 1 1 109 109 GLU CB C 13 30.138 0.000 . 1 . . . . . . . . 6233 1 1151 . 1 1 109 109 GLU HB2 H 1 1.953 0.001 . 1 . . . . . . . . 6233 1 1152 . 1 1 109 109 GLU HB3 H 1 2.078 0.005 . 1 . . . . . . . . 6233 1 1153 . 1 1 109 109 GLU CG C 13 36.383 0.000 . 1 . . . . . . . . 6233 1 1154 . 1 1 109 109 GLU HG2 H 1 2.286 0.001 . 1 . . . . . . . . 6233 1 1155 . 1 1 110 110 SER H H 1 8.287 0.002 . 1 . . . . . . . . 6233 1 1156 . 1 1 110 110 SER N N 15 117.129 0.000 . 1 . . . . . . . . 6233 1 1157 . 1 1 110 110 SER CA C 13 58.243 0.000 . 1 . . . . . . . . 6233 1 1158 . 1 1 110 110 SER HA H 1 4.473 0.003 . 1 . . . . . . . . 6233 1 1159 . 1 1 110 110 SER C C 13 168.768 0.015 . 1 . . . . . . . . 6233 1 1160 . 1 1 110 110 SER CB C 13 64.081 0.000 . 1 . . . . . . . . 6233 1 1161 . 1 1 110 110 SER HB2 H 1 3.868 0.000 . 1 . . . . . . . . 6233 1 1162 . 1 1 111 111 ALA H H 1 7.993 0.003 . 1 . . . . . . . . 6233 1 1163 . 1 1 111 111 ALA N N 15 131.659 0.000 . 1 . . . . . . . . 6233 1 1164 . 1 1 111 111 ALA CA C 13 53.990 0.000 . 1 . . . . . . . . 6233 1 1165 . 1 1 111 111 ALA HA H 1 4.129 0.006 . 1 . . . . . . . . 6233 1 1166 . 1 1 111 111 ALA C C 13 164.477 0.000 . 1 . . . . . . . . 6233 1 1167 . 1 1 111 111 ALA CB C 13 18.597 0.000 . 1 . . . . . . . . 6233 1 1168 . 1 1 111 111 ALA HB1 H 1 1.381 0.002 . 1 . . . . . . . . 6233 1 1169 . 1 1 111 111 ALA HB2 H 1 1.381 0.002 . 1 . . . . . . . . 6233 1 1170 . 1 1 111 111 ALA HB3 H 1 1.381 0.002 . 1 . . . . . . . . 6233 1 stop_ save_