data_5401 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5401 _Entry.Title ; Conservation of chemical shift and secondary structure of the PNT/SAM domains from the Ets family of transcription factors ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-06-17 _Entry.Accession_date 2002-06-18 _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 Cameron Mackereth . D. . 5401 2 Manuela Schaerpf . . . 5401 3 Lisa Gentile . N. . 5401 4 Lawrence McIntosh . P. . 5401 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5401 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 635 5401 '13C chemical shifts' 412 5401 '15N chemical shifts' 99 5401 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 . . 2004-08-19 . update author 'addition of relationship loop' 5401 2 . . 2003-02-20 . original author 'original release' 5401 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6287 'assignment and structure calculation for a different construct of the protein GABPa' 5401 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5401 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22333295 _Citation.DOI . _Citation.PubMed_ID 12449421 _Citation.Full_citation . _Citation.Title ; Chemical Shift and Secondary Structure Conservation of the PNT/SAM Domains from the ets Family of Transcription Factors ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 1 _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 71 _Citation.Page_last 72 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Cameron Mackereth . D. . 5401 1 2 Manuela Scharpf . . . 5401 1 3 Lisa Gentile . N. . 5401 1 4 Lawrence McIntosh . P. . 5401 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'PNT/SAM domain' 5401 1 'secondary chemical shift' 5401 1 homology 5401 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_GABPalpha _Assembly.Sf_category assembly _Assembly.Sf_framecode GABPalpha _Assembly.Entry_ID 5401 _Assembly.ID 1 _Assembly.Name 'GABPalpha Pointed Domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5401 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 'GABPalpha Pointed domain' 1 $GABPalpha_PNT . . . native . . . . . 5401 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'GABPalpha Pointed Domain' system 5401 1 GABPalpha abbreviation 5401 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'PNT domain / SAM domain' 5401 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GABPalpha_PNT _Entity.Sf_category entity _Entity.Sf_framecode GABPalpha_PNT _Entity.Entry_ID 5401 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'GABPalpha Pointed Domain' _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 ; AALEGYRKEQERLGIPYDPI HWSTDQVLHWVVWVMKEFSM TDIDLTTLNISGRELCSLNQ EDFFQRVPRGEILWSHLELL RKYVLAS ; _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10339 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; This is a fragment of GABPalpha corresponding to the Pointed (PNT) or SAM domain (residues 108-201) ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6287 . GABPalpha_PNT . . . . . 100.00 91 100.00 100.00 7.81e-57 . . . . 5401 1 2 no PDB 1SXD . "Solution Structure Of The Pointed (Pnt) Domain From Mgabpa" . . . . . 100.00 91 100.00 100.00 7.81e-57 . . . . 5401 1 3 no DBJ BAA02575 . "transcription factor E4TF1-60 [Homo sapiens]" . . . . . 100.00 454 98.85 98.85 5.57e-54 . . . . 5401 1 4 no DBJ BAD96884 . "GA binding protein transcription factor, alpha subunit (60kD) variant [Homo sapiens]" . . . . . 100.00 454 98.85 98.85 5.57e-54 . . . . 5401 1 5 no DBJ BAE24181 . "unnamed protein product [Mus musculus]" . . . . . 100.00 454 100.00 100.00 7.82e-55 . . . . 5401 1 6 no DBJ BAE26442 . "unnamed protein product [Mus musculus]" . . . . . 100.00 454 100.00 100.00 7.82e-55 . . . . 5401 1 7 no DBJ BAE26687 . "unnamed protein product [Mus musculus]" . . . . . 100.00 454 100.00 100.00 7.82e-55 . . . . 5401 1 8 no GB AAA53030 . "GA binding protein [Mus musculus]" . . . . . 100.00 454 98.85 98.85 9.34e-54 . . . . 5401 1 9 no GB AAA65706 . "nuclear respiratory factor-2 subunit alpha [Homo sapiens]" . . . . . 100.00 454 98.85 98.85 6.95e-54 . . . . 5401 1 10 no GB AAH13562 . "Gabpa protein [Mus musculus]" . . . . . 100.00 351 100.00 100.00 1.65e-55 . . . . 5401 1 11 no GB AAH35031 . "GA binding protein transcription factor, alpha subunit 60kDa [Homo sapiens]" . . . . . 100.00 454 98.85 98.85 5.57e-54 . . . . 5401 1 12 no GB AAH52448 . "GA repeat binding protein, alpha [Mus musculus]" . . . . . 100.00 454 100.00 100.00 7.82e-55 . . . . 5401 1 13 no REF NP_001068905 . "GA-binding protein alpha chain [Bos taurus]" . . . . . 100.00 454 97.70 98.85 3.49e-53 . . . . 5401 1 14 no REF NP_001102311 . "GA-binding protein alpha chain [Rattus norvegicus]" . . . . . 100.00 454 98.85 98.85 6.19e-54 . . . . 5401 1 15 no REF NP_001184226 . "GA-binding protein alpha chain [Homo sapiens]" . . . . . 100.00 454 98.85 98.85 5.57e-54 . . . . 5401 1 16 no REF NP_001253514 . "GA-binding protein alpha chain [Macaca mulatta]" . . . . . 100.00 454 98.85 98.85 6.19e-54 . . . . 5401 1 17 no REF NP_002031 . "GA-binding protein alpha chain [Homo sapiens]" . . . . . 100.00 454 98.85 98.85 5.57e-54 . . . . 5401 1 18 no SP Q00422 . "RecName: Full=GA-binding protein alpha chain; Short=GABP subunit alpha [Mus musculus]" . . . . . 100.00 454 100.00 100.00 7.82e-55 . . . . 5401 1 19 no SP Q06546 . "RecName: Full=GA-binding protein alpha chain; Short=GABP subunit alpha; AltName: Full=Nuclear respiratory factor 2 subunit alph" . . . . . 100.00 454 98.85 98.85 5.57e-54 . . . . 5401 1 20 no TPG DAA33658 . "TPA: GA binding protein transcription factor, alpha subunit 60kDa [Bos taurus]" . . . . . 100.00 454 97.70 98.85 3.49e-53 . . . . 5401 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'GABPalpha Pointed Domain' common 5401 1 'GABPalpha PNT' abbreviation 5401 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 1 168 ALA . 5401 1 2 169 ALA . 5401 1 3 170 LEU . 5401 1 4 171 GLU . 5401 1 5 172 GLY . 5401 1 6 173 TYR . 5401 1 7 174 ARG . 5401 1 8 175 LYS . 5401 1 9 176 GLU . 5401 1 10 177 GLN . 5401 1 11 178 GLU . 5401 1 12 179 ARG . 5401 1 13 180 LEU . 5401 1 14 181 GLY . 5401 1 15 182 ILE . 5401 1 16 183 PRO . 5401 1 17 184 TYR . 5401 1 18 185 ASP . 5401 1 19 186 PRO . 5401 1 20 187 ILE . 5401 1 21 188 HIS . 5401 1 22 189 TRP . 5401 1 23 190 SER . 5401 1 24 191 THR . 5401 1 25 192 ASP . 5401 1 26 193 GLN . 5401 1 27 194 VAL . 5401 1 28 195 LEU . 5401 1 29 196 HIS . 5401 1 30 197 TRP . 5401 1 31 198 VAL . 5401 1 32 199 VAL . 5401 1 33 200 TRP . 5401 1 34 201 VAL . 5401 1 35 202 MET . 5401 1 36 203 LYS . 5401 1 37 204 GLU . 5401 1 38 205 PHE . 5401 1 39 206 SER . 5401 1 40 207 MET . 5401 1 41 208 THR . 5401 1 42 209 ASP . 5401 1 43 210 ILE . 5401 1 44 211 ASP . 5401 1 45 212 LEU . 5401 1 46 213 THR . 5401 1 47 214 THR . 5401 1 48 215 LEU . 5401 1 49 216 ASN . 5401 1 50 217 ILE . 5401 1 51 218 SER . 5401 1 52 219 GLY . 5401 1 53 220 ARG . 5401 1 54 221 GLU . 5401 1 55 222 LEU . 5401 1 56 223 CYS . 5401 1 57 224 SER . 5401 1 58 225 LEU . 5401 1 59 226 ASN . 5401 1 60 227 GLN . 5401 1 61 228 GLU . 5401 1 62 229 ASP . 5401 1 63 230 PHE . 5401 1 64 231 PHE . 5401 1 65 232 GLN . 5401 1 66 233 ARG . 5401 1 67 234 VAL . 5401 1 68 235 PRO . 5401 1 69 236 ARG . 5401 1 70 237 GLY . 5401 1 71 238 GLU . 5401 1 72 239 ILE . 5401 1 73 240 LEU . 5401 1 74 241 TRP . 5401 1 75 242 SER . 5401 1 76 243 HIS . 5401 1 77 244 LEU . 5401 1 78 245 GLU . 5401 1 79 246 LEU . 5401 1 80 247 LEU . 5401 1 81 248 ARG . 5401 1 82 249 LYS . 5401 1 83 250 TYR . 5401 1 84 251 VAL . 5401 1 85 252 LEU . 5401 1 86 253 ALA . 5401 1 87 254 SER . 5401 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 . ALA 1 1 5401 1 . ALA 2 2 5401 1 . LEU 3 3 5401 1 . GLU 4 4 5401 1 . GLY 5 5 5401 1 . TYR 6 6 5401 1 . ARG 7 7 5401 1 . LYS 8 8 5401 1 . GLU 9 9 5401 1 . GLN 10 10 5401 1 . GLU 11 11 5401 1 . ARG 12 12 5401 1 . LEU 13 13 5401 1 . GLY 14 14 5401 1 . ILE 15 15 5401 1 . PRO 16 16 5401 1 . TYR 17 17 5401 1 . ASP 18 18 5401 1 . PRO 19 19 5401 1 . ILE 20 20 5401 1 . HIS 21 21 5401 1 . TRP 22 22 5401 1 . SER 23 23 5401 1 . THR 24 24 5401 1 . ASP 25 25 5401 1 . GLN 26 26 5401 1 . VAL 27 27 5401 1 . LEU 28 28 5401 1 . HIS 29 29 5401 1 . TRP 30 30 5401 1 . VAL 31 31 5401 1 . VAL 32 32 5401 1 . TRP 33 33 5401 1 . VAL 34 34 5401 1 . MET 35 35 5401 1 . LYS 36 36 5401 1 . GLU 37 37 5401 1 . PHE 38 38 5401 1 . SER 39 39 5401 1 . MET 40 40 5401 1 . THR 41 41 5401 1 . ASP 42 42 5401 1 . ILE 43 43 5401 1 . ASP 44 44 5401 1 . LEU 45 45 5401 1 . THR 46 46 5401 1 . THR 47 47 5401 1 . LEU 48 48 5401 1 . ASN 49 49 5401 1 . ILE 50 50 5401 1 . SER 51 51 5401 1 . GLY 52 52 5401 1 . ARG 53 53 5401 1 . GLU 54 54 5401 1 . LEU 55 55 5401 1 . CYS 56 56 5401 1 . SER 57 57 5401 1 . LEU 58 58 5401 1 . ASN 59 59 5401 1 . GLN 60 60 5401 1 . GLU 61 61 5401 1 . ASP 62 62 5401 1 . PHE 63 63 5401 1 . PHE 64 64 5401 1 . GLN 65 65 5401 1 . ARG 66 66 5401 1 . VAL 67 67 5401 1 . PRO 68 68 5401 1 . ARG 69 69 5401 1 . GLY 70 70 5401 1 . GLU 71 71 5401 1 . ILE 72 72 5401 1 . LEU 73 73 5401 1 . TRP 74 74 5401 1 . SER 75 75 5401 1 . HIS 76 76 5401 1 . LEU 77 77 5401 1 . GLU 78 78 5401 1 . LEU 79 79 5401 1 . LEU 80 80 5401 1 . ARG 81 81 5401 1 . LYS 82 82 5401 1 . TYR 83 83 5401 1 . VAL 84 84 5401 1 . LEU 85 85 5401 1 . ALA 86 86 5401 1 . SER 87 87 5401 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 5401 _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 $GABPalpha_PNT . 10090 . . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 5401 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 5401 _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 $GABPalpha_PNT . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET22b . . . ; The corresponding cDNA was cloned into pET22b using PCR generated NdeI and HindIII restriction enzyme sites ; . . 5401 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_GABPa_PNT _Sample.Sf_category sample _Sample.Sf_framecode 15N_GABPa_PNT _Sample.Entry_ID 5401 _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 'GABPalpha Pointed Domain' '[U-99% 15N]' . . 1 $GABPalpha_PNT . . . 0.5 2.5 mM . . . . 5401 1 stop_ save_ save_13C-15N_GABPalpha_PNT _Sample.Sf_category sample _Sample.Sf_framecode 13C-15N_GABPalpha_PNT _Sample.Entry_ID 5401 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GABPalpha Pointed Domain' '[U-99% 13C; U-99% 15N]' . . 1 $GABPalpha_PNT . . 1.5 . . mM . . . . 5401 2 stop_ save_ save_10_13C-15N_GABPalpha_PNT _Sample.Sf_category sample _Sample.Sf_framecode 10_13C-15N_GABPalpha_PNT _Sample.Entry_ID 5401 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GABPalpha Pointed Domain' '[N-10% 13C; U-99% 15N]' . . 1 $GABPalpha_PNT . . 1.5 . . mM . . . . 5401 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 5401 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 0.1 n/a 5401 1 temperature 303 1 K 5401 1 'ionic strength' 0.02 . M 5401 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5401 _Software.ID 1 _Software.Name FELIX _Software.Version 95.0 _Software.Details 'Accelrys, Inc.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing spectra' 5401 1 assignment 5401 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5401 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5401 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian UNITY . 500 . . . 5401 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 5401 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5401 1 2 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5401 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5401 1 4 HBCBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5401 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5401 1 6 H(CCO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5401 1 7 C(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5401 1 8 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5401 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 5401 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5401 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 5401 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _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 5401 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HBCBCACONH _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 5401 _NMR_spec_expt.ID 5 _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5401 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name H(CCO)NH-TOCSY _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5401 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name C(CO)NH-TOCSY _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5401 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-TOCSY _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_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5401 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5401 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5401 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5401 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_shift1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift1 _Assigned_chem_shift_list.Entry_ID 5401 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 2 $13C-15N_GABPalpha_PNT . 5401 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 ALA CA C 13 52.73 0.05 . 1 . . . . . . . . 5401 1 2 . 1 1 1 1 ALA HA H 1 4.01 0.02 . 1 . . . . . . . . 5401 1 3 . 1 1 1 1 ALA CB C 13 17.58 0.05 . 1 . . . . . . . . 5401 1 4 . 1 1 1 1 ALA HB1 H 1 0.84 0.02 . 1 . . . . . . . . 5401 1 5 . 1 1 1 1 ALA HB2 H 1 0.84 0.02 . 1 . . . . . . . . 5401 1 6 . 1 1 1 1 ALA HB3 H 1 0.84 0.02 . 1 . . . . . . . . 5401 1 7 . 1 1 1 1 ALA C C 13 178.21 0.05 . 1 . . . . . . . . 5401 1 8 . 1 1 2 2 ALA N N 15 125.97 0.05 . 1 . . . . . . . . 5401 1 9 . 1 1 2 2 ALA H H 1 8.58 0.02 . 1 . . . . . . . . 5401 1 10 . 1 1 2 2 ALA CA C 13 53.37 0.05 . 1 . . . . . . . . 5401 1 11 . 1 1 2 2 ALA HA H 1 4.56 0.02 . 1 . . . . . . . . 5401 1 12 . 1 1 2 2 ALA CB C 13 19.46 0.05 . 1 . . . . . . . . 5401 1 13 . 1 1 2 2 ALA HB1 H 1 1.61 0.02 . 1 . . . . . . . . 5401 1 14 . 1 1 2 2 ALA HB2 H 1 1.61 0.02 . 1 . . . . . . . . 5401 1 15 . 1 1 2 2 ALA HB3 H 1 1.61 0.02 . 1 . . . . . . . . 5401 1 16 . 1 1 2 2 ALA C C 13 178.63 0.05 . 1 . . . . . . . . 5401 1 17 . 1 1 3 3 LEU N N 15 125.48 0.05 . 1 . . . . . . . . 5401 1 18 . 1 1 3 3 LEU H H 1 7.72 0.02 . 1 . . . . . . . . 5401 1 19 . 1 1 3 3 LEU CA C 13 56.75 0.05 . 1 . . . . . . . . 5401 1 20 . 1 1 3 3 LEU HA H 1 4.32 0.02 . 1 . . . . . . . . 5401 1 21 . 1 1 3 3 LEU CB C 13 41.8 0.05 . 1 . . . . . . . . 5401 1 22 . 1 1 3 3 LEU HB3 H 1 1.67 0.02 . 1 . . . . . . . . 5401 1 23 . 1 1 3 3 LEU HB2 H 1 1.59 0.02 . 1 . . . . . . . . 5401 1 24 . 1 1 3 3 LEU CG C 13 27.08 0.05 . 1 . . . . . . . . 5401 1 25 . 1 1 3 3 LEU HG H 1 0.82 0.02 . 1 . . . . . . . . 5401 1 26 . 1 1 3 3 LEU CD2 C 13 24.16 0.05 . 1 . . . . . . . . 5401 1 27 . 1 1 3 3 LEU HD21 H 1 0.72 0.02 . 1 . . . . . . . . 5401 1 28 . 1 1 3 3 LEU HD22 H 1 0.72 0.02 . 1 . . . . . . . . 5401 1 29 . 1 1 3 3 LEU HD23 H 1 0.72 0.02 . 1 . . . . . . . . 5401 1 30 . 1 1 3 3 LEU C C 13 177.21 0.05 . 1 . . . . . . . . 5401 1 31 . 1 1 4 4 GLU N N 15 119.41 0.05 . 1 . . . . . . . . 5401 1 32 . 1 1 4 4 GLU H H 1 8.59 0.02 . 1 . . . . . . . . 5401 1 33 . 1 1 4 4 GLU CA C 13 58.28 0.05 . 1 . . . . . . . . 5401 1 34 . 1 1 4 4 GLU HA H 1 4.22 0.02 . 1 . . . . . . . . 5401 1 35 . 1 1 4 4 GLU CB C 13 29.99 0.05 . 1 . . . . . . . . 5401 1 36 . 1 1 4 4 GLU HB2 H 1 2.1 0.02 . 1 . . . . . . . . 5401 1 37 . 1 1 4 4 GLU HB3 H 1 2.1 0.02 . 1 . . . . . . . . 5401 1 38 . 1 1 4 4 GLU CG C 13 36.5 0.05 . 1 . . . . . . . . 5401 1 39 . 1 1 4 4 GLU HG2 H 1 2.37 0.02 . 2 . . . . . . . . 5401 1 40 . 1 1 4 4 GLU HG3 H 1 2.29 0.02 . 2 . . . . . . . . 5401 1 41 . 1 1 4 4 GLU C C 13 178.35 0.05 . 1 . . . . . . . . 5401 1 42 . 1 1 5 5 GLY N N 15 107.27 0.05 . 1 . . . . . . . . 5401 1 43 . 1 1 5 5 GLY H H 1 8.69 0.02 . 1 . . . . . . . . 5401 1 44 . 1 1 5 5 GLY CA C 13 46.58 0.05 . 1 . . . . . . . . 5401 1 45 . 1 1 5 5 GLY HA2 H 1 3.82 0.02 . 2 . . . . . . . . 5401 1 46 . 1 1 5 5 GLY HA3 H 1 3.74 0.02 . 2 . . . . . . . . 5401 1 47 . 1 1 5 5 GLY C C 13 175.03 0.05 . 1 . . . . . . . . 5401 1 48 . 1 1 6 6 TYR N N 15 125.02 0.05 . 1 . . . . . . . . 5401 1 49 . 1 1 6 6 TYR H H 1 8.64 0.02 . 1 . . . . . . . . 5401 1 50 . 1 1 6 6 TYR CA C 13 61.32 0.05 . 1 . . . . . . . . 5401 1 51 . 1 1 6 6 TYR HA H 1 3.94 0.02 . 1 . . . . . . . . 5401 1 52 . 1 1 6 6 TYR CB C 13 38.28 0.05 . 1 . . . . . . . . 5401 1 53 . 1 1 6 6 TYR CE1 C 13 116.62 0.05 . 1 . . . . . . . . 5401 1 54 . 1 1 6 6 TYR CE2 C 13 116.62 0.05 . 1 . . . . . . . . 5401 1 55 . 1 1 6 6 TYR HE1 H 1 6.32 0.02 . 1 . . . . . . . . 5401 1 56 . 1 1 6 6 TYR HE2 H 1 6.32 0.02 . 1 . . . . . . . . 5401 1 57 . 1 1 6 6 TYR C C 13 176.82 0.05 . 1 . . . . . . . . 5401 1 58 . 1 1 7 7 ARG N N 15 118.21 0.05 . 1 . . . . . . . . 5401 1 59 . 1 1 7 7 ARG H H 1 8.11 0.02 . 1 . . . . . . . . 5401 1 60 . 1 1 7 7 ARG CA C 13 58.8 0.05 . 1 . . . . . . . . 5401 1 61 . 1 1 7 7 ARG HA H 1 4.48 0.02 . 1 . . . . . . . . 5401 1 62 . 1 1 7 7 ARG CB C 13 29.52 0.05 . 1 . . . . . . . . 5401 1 63 . 1 1 7 7 ARG HB2 H 1 1.86 0.02 . 2 . . . . . . . . 5401 1 64 . 1 1 7 7 ARG HB3 H 1 1.79 0.02 . 2 . . . . . . . . 5401 1 65 . 1 1 7 7 ARG CG C 13 27.98 0.05 . 1 . . . . . . . . 5401 1 66 . 1 1 7 7 ARG HG2 H 1 1.62 0.02 . 1 . . . . . . . . 5401 1 67 . 1 1 7 7 ARG HG3 H 1 1.62 0.02 . 1 . . . . . . . . 5401 1 68 . 1 1 7 7 ARG CD C 13 42.97 0.05 . 1 . . . . . . . . 5401 1 69 . 1 1 7 7 ARG HD2 H 1 2.88 0.02 . 2 . . . . . . . . 5401 1 70 . 1 1 7 7 ARG HD3 H 1 3.08 0.02 . 2 . . . . . . . . 5401 1 71 . 1 1 7 7 ARG C C 13 178.93 0.05 . 1 . . . . . . . . 5401 1 72 . 1 1 8 8 LYS N N 15 116.95 0.05 . 1 . . . . . . . . 5401 1 73 . 1 1 8 8 LYS H H 1 7.39 0.02 . 1 . . . . . . . . 5401 1 74 . 1 1 8 8 LYS CA C 13 58.81 0.05 . 1 . . . . . . . . 5401 1 75 . 1 1 8 8 LYS HA H 1 4.07 0.02 . 1 . . . . . . . . 5401 1 76 . 1 1 8 8 LYS CB C 13 31.99 0.05 . 1 . . . . . . . . 5401 1 77 . 1 1 8 8 LYS HB2 H 1 1.9 0.02 . 2 . . . . . . . . 5401 1 78 . 1 1 8 8 LYS HB3 H 1 1.52 0.02 . 2 . . . . . . . . 5401 1 79 . 1 1 8 8 LYS CG C 13 28.98 0.05 . 1 . . . . . . . . 5401 1 80 . 1 1 8 8 LYS HG2 H 1 1.74 0.02 . 1 . . . . . . . . 5401 1 81 . 1 1 8 8 LYS HG3 H 1 1.74 0.02 . 1 . . . . . . . . 5401 1 82 . 1 1 8 8 LYS CD C 13 25.04 0.05 . 1 . . . . . . . . 5401 1 83 . 1 1 8 8 LYS HD2 H 1 1.53 0.02 . 1 . . . . . . . . 5401 1 84 . 1 1 8 8 LYS HD3 H 1 1.53 0.02 . 1 . . . . . . . . 5401 1 85 . 1 1 8 8 LYS CE C 13 41.79 0.05 . 1 . . . . . . . . 5401 1 86 . 1 1 8 8 LYS HE2 H 1 3.03 0.02 . 1 . . . . . . . . 5401 1 87 . 1 1 8 8 LYS HE3 H 1 3.03 0.02 . 1 . . . . . . . . 5401 1 88 . 1 1 8 8 LYS C C 13 179.11 0.05 . 1 . . . . . . . . 5401 1 89 . 1 1 9 9 GLU N N 15 122.27 0.05 . 1 . . . . . . . . 5401 1 90 . 1 1 9 9 GLU H H 1 6.89 0.02 . 1 . . . . . . . . 5401 1 91 . 1 1 9 9 GLU CA C 13 58.24 0.05 . 1 . . . . . . . . 5401 1 92 . 1 1 9 9 GLU HA H 1 4.22 0.02 . 1 . . . . . . . . 5401 1 93 . 1 1 9 9 GLU CB C 13 28.5 0.05 . 1 . . . . . . . . 5401 1 94 . 1 1 9 9 GLU HB2 H 1 1.59 0.02 . 2 . . . . . . . . 5401 1 95 . 1 1 9 9 GLU HB3 H 1 1.41 0.02 . 2 . . . . . . . . 5401 1 96 . 1 1 9 9 GLU CG C 13 34.17 0.05 . 1 . . . . . . . . 5401 1 97 . 1 1 9 9 GLU HG2 H 1 2.03 0.02 . 2 . . . . . . . . 5401 1 98 . 1 1 9 9 GLU HG3 H 1 1.89 0.02 . 2 . . . . . . . . 5401 1 99 . 1 1 9 9 GLU C C 13 177.87 0.05 . 1 . . . . . . . . 5401 1 100 . 1 1 10 10 GLN N N 15 117 0.05 . 1 . . . . . . . . 5401 1 101 . 1 1 10 10 GLN H H 1 8.14 0.02 . 1 . . . . . . . . 5401 1 102 . 1 1 10 10 GLN CA C 13 59.95 0.05 . 1 . . . . . . . . 5401 1 103 . 1 1 10 10 GLN HA H 1 3.45 0.02 . 1 . . . . . . . . 5401 1 104 . 1 1 10 10 GLN CB C 13 28.84 0.05 . 1 . . . . . . . . 5401 1 105 . 1 1 10 10 GLN HB2 H 1 2.06 0.02 . 2 . . . . . . . . 5401 1 106 . 1 1 10 10 GLN HB3 H 1 2.23 0.02 . 2 . . . . . . . . 5401 1 107 . 1 1 10 10 GLN CG C 13 36.83 0.05 . 1 . . . . . . . . 5401 1 108 . 1 1 10 10 GLN HG2 H 1 1.91 0.02 . 2 . . . . . . . . 5401 1 109 . 1 1 10 10 GLN HG3 H 1 1.45 0.02 . 2 . . . . . . . . 5401 1 110 . 1 1 10 10 GLN NE2 N 15 111.69 0.05 . 1 . . . . . . . . 5401 1 111 . 1 1 10 10 GLN HE21 H 1 6.25 0.02 . 1 . . . . . . . . 5401 1 112 . 1 1 10 10 GLN HE22 H 1 6.64 0.02 . 1 . . . . . . . . 5401 1 113 . 1 1 10 10 GLN C C 13 178.64 0.05 . 1 . . . . . . . . 5401 1 114 . 1 1 11 11 GLU N N 15 120.23 0.05 . 1 . . . . . . . . 5401 1 115 . 1 1 11 11 GLU H H 1 8.37 0.02 . 1 . . . . . . . . 5401 1 116 . 1 1 11 11 GLU CA C 13 58.83 0.05 . 1 . . . . . . . . 5401 1 117 . 1 1 11 11 GLU HA H 1 3.91 0.02 . 1 . . . . . . . . 5401 1 118 . 1 1 11 11 GLU CB C 13 29.35 0.05 . 1 . . . . . . . . 5401 1 119 . 1 1 11 11 GLU HB2 H 1 2.04 0.02 . 1 . . . . . . . . 5401 1 120 . 1 1 11 11 GLU HB3 H 1 2.04 0.02 . 1 . . . . . . . . 5401 1 121 . 1 1 11 11 GLU CG C 13 36.5 0.05 . 1 . . . . . . . . 5401 1 122 . 1 1 11 11 GLU HG2 H 1 2.29 0.02 . 2 . . . . . . . . 5401 1 123 . 1 1 11 11 GLU HG3 H 1 2.47 0.02 . 2 . . . . . . . . 5401 1 124 . 1 1 11 11 GLU C C 13 179.18 0.05 . 1 . . . . . . . . 5401 1 125 . 1 1 12 12 ARG N N 15 119.89 0.05 . 1 . . . . . . . . 5401 1 126 . 1 1 12 12 ARG H H 1 7.89 0.02 . 1 . . . . . . . . 5401 1 127 . 1 1 12 12 ARG CA C 13 59.12 0.05 . 1 . . . . . . . . 5401 1 128 . 1 1 12 12 ARG HA H 1 4 0.02 . 1 . . . . . . . . 5401 1 129 . 1 1 12 12 ARG CB C 13 30.93 0.05 . 1 . . . . . . . . 5401 1 130 . 1 1 12 12 ARG HB2 H 1 1.94 0.02 . 1 . . . . . . . . 5401 1 131 . 1 1 12 12 ARG HB3 H 1 1.94 0.02 . 1 . . . . . . . . 5401 1 132 . 1 1 12 12 ARG CG C 13 27.95 0.05 . 1 . . . . . . . . 5401 1 133 . 1 1 12 12 ARG HG2 H 1 1.51 0.02 . 2 . . . . . . . . 5401 1 134 . 1 1 12 12 ARG HG3 H 1 1.63 0.02 . 2 . . . . . . . . 5401 1 135 . 1 1 12 12 ARG CD C 13 43.47 0.05 . 1 . . . . . . . . 5401 1 136 . 1 1 12 12 ARG HD2 H 1 3.1 0.02 . 2 . . . . . . . . 5401 1 137 . 1 1 12 12 ARG HD3 H 1 3.35 0.02 . 2 . . . . . . . . 5401 1 138 . 1 1 12 12 ARG C C 13 178.04 0.05 . 1 . . . . . . . . 5401 1 139 . 1 1 13 13 LEU N N 15 115.31 0.05 . 1 . . . . . . . . 5401 1 140 . 1 1 13 13 LEU H H 1 7.42 0.02 . 1 . . . . . . . . 5401 1 141 . 1 1 13 13 LEU CA C 13 54.19 0.05 . 1 . . . . . . . . 5401 1 142 . 1 1 13 13 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 5401 1 143 . 1 1 13 13 LEU CB C 13 43.46 0.05 . 1 . . . . . . . . 5401 1 144 . 1 1 13 13 LEU HB2 H 1 1.4 0.02 . 1 . . . . . . . . 5401 1 145 . 1 1 13 13 LEU HB3 H 1 1.4 0.02 . 1 . . . . . . . . 5401 1 146 . 1 1 13 13 LEU CG C 13 27.34 0.05 . 1 . . . . . . . . 5401 1 147 . 1 1 13 13 LEU HG H 1 1.43 0.02 . 1 . . . . . . . . 5401 1 148 . 1 1 13 13 LEU CD1 C 13 25.89 0.05 . 1 . . . . . . . . 5401 1 149 . 1 1 13 13 LEU HD11 H 1 0.52 0.02 . 1 . . . . . . . . 5401 1 150 . 1 1 13 13 LEU HD12 H 1 0.52 0.02 . 1 . . . . . . . . 5401 1 151 . 1 1 13 13 LEU HD13 H 1 0.52 0.02 . 1 . . . . . . . . 5401 1 152 . 1 1 13 13 LEU CD2 C 13 22.17 0.05 . 1 . . . . . . . . 5401 1 153 . 1 1 13 13 LEU HD21 H 1 0.71 0.02 . 1 . . . . . . . . 5401 1 154 . 1 1 13 13 LEU HD22 H 1 0.71 0.02 . 1 . . . . . . . . 5401 1 155 . 1 1 13 13 LEU HD23 H 1 0.71 0.02 . 1 . . . . . . . . 5401 1 156 . 1 1 13 13 LEU C C 13 177.28 0.05 . 1 . . . . . . . . 5401 1 157 . 1 1 14 14 GLY N N 15 111.24 0.05 . 1 . . . . . . . . 5401 1 158 . 1 1 14 14 GLY H H 1 7.68 0.02 . 1 . . . . . . . . 5401 1 159 . 1 1 14 14 GLY CA C 13 46.71 0.05 . 1 . . . . . . . . 5401 1 160 . 1 1 14 14 GLY HA2 H 1 4.36 0.02 . 2 . . . . . . . . 5401 1 161 . 1 1 14 14 GLY HA3 H 1 4.1 0.02 . 2 . . . . . . . . 5401 1 162 . 1 1 14 14 GLY C C 13 176.1 0.05 . 1 . . . . . . . . 5401 1 163 . 1 1 15 15 ILE N N 15 123.12 0.05 . 1 . . . . . . . . 5401 1 164 . 1 1 15 15 ILE H H 1 8.22 0.02 . 1 . . . . . . . . 5401 1 165 . 1 1 15 15 ILE CA C 13 59.01 0.05 . 1 . . . . . . . . 5401 1 166 . 1 1 15 15 ILE HA H 1 4 0.02 . 1 . . . . . . . . 5401 1 167 . 1 1 15 15 ILE CB C 13 40.33 0.05 . 1 . . . . . . . . 5401 1 168 . 1 1 15 15 ILE CG1 C 13 23.35 0.05 . 1 . . . . . . . . 5401 1 169 . 1 1 15 15 ILE HG12 H 1 1.22 0.02 . 1 . . . . . . . . 5401 1 170 . 1 1 15 15 ILE HG13 H 1 1.22 0.02 . 1 . . . . . . . . 5401 1 171 . 1 1 15 15 ILE CD1 C 13 12.69 0.05 . 1 . . . . . . . . 5401 1 172 . 1 1 15 15 ILE HD11 H 1 0.39 0.02 . 1 . . . . . . . . 5401 1 173 . 1 1 15 15 ILE HD12 H 1 0.39 0.02 . 1 . . . . . . . . 5401 1 174 . 1 1 15 15 ILE HD13 H 1 0.39 0.02 . 1 . . . . . . . . 5401 1 175 . 1 1 15 15 ILE CG2 C 13 15.74 0.05 . 1 . . . . . . . . 5401 1 176 . 1 1 15 15 ILE HG21 H 1 0.65 0.02 . 1 . . . . . . . . 5401 1 177 . 1 1 15 15 ILE HG22 H 1 0.65 0.02 . 1 . . . . . . . . 5401 1 178 . 1 1 15 15 ILE HG23 H 1 0.65 0.02 . 1 . . . . . . . . 5401 1 179 . 1 1 15 15 ILE C C 13 174.02 0.05 . 1 . . . . . . . . 5401 1 180 . 1 1 16 16 PRO CA C 13 63.04 0.05 . 1 . . . . . . . . 5401 1 181 . 1 1 16 16 PRO HA H 1 4.17 0.02 . 1 . . . . . . . . 5401 1 182 . 1 1 16 16 PRO CB C 13 32.93 0.05 . 1 . . . . . . . . 5401 1 183 . 1 1 16 16 PRO HB2 H 1 2.55 0.02 . 1 . . . . . . . . 5401 1 184 . 1 1 16 16 PRO HB3 H 1 1.95 0.02 . 1 . . . . . . . . 5401 1 185 . 1 1 16 16 PRO CG C 13 27.66 0.05 . 1 . . . . . . . . 5401 1 186 . 1 1 16 16 PRO HG2 H 1 2.16 0.02 . 1 . . . . . . . . 5401 1 187 . 1 1 16 16 PRO HG3 H 1 2.16 0.02 . 1 . . . . . . . . 5401 1 188 . 1 1 16 16 PRO CD C 13 51.06 0.05 . 1 . . . . . . . . 5401 1 189 . 1 1 16 16 PRO HD2 H 1 3.57 0.02 . 2 . . . . . . . . 5401 1 190 . 1 1 16 16 PRO HD3 H 1 4.14 0.02 . 2 . . . . . . . . 5401 1 191 . 1 1 16 16 PRO C C 13 177.1 0.05 . 1 . . . . . . . . 5401 1 192 . 1 1 17 17 TYR N N 15 122.29 0.05 . 1 . . . . . . . . 5401 1 193 . 1 1 17 17 TYR H H 1 8.23 0.02 . 1 . . . . . . . . 5401 1 194 . 1 1 17 17 TYR CA C 13 60.29 0.05 . 1 . . . . . . . . 5401 1 195 . 1 1 17 17 TYR HA H 1 4.34 0.02 . 1 . . . . . . . . 5401 1 196 . 1 1 17 17 TYR CB C 13 37.97 0.05 . 1 . . . . . . . . 5401 1 197 . 1 1 17 17 TYR HB2 H 1 2.87 0.02 . 1 . . . . . . . . 5401 1 198 . 1 1 17 17 TYR HB3 H 1 3.06 0.02 . 1 . . . . . . . . 5401 1 199 . 1 1 17 17 TYR CD1 C 13 132.13 0.05 . 1 . . . . . . . . 5401 1 200 . 1 1 17 17 TYR CD2 C 13 132.13 0.05 . 1 . . . . . . . . 5401 1 201 . 1 1 17 17 TYR HD1 H 1 7.1 0.02 . 1 . . . . . . . . 5401 1 202 . 1 1 17 17 TYR HD2 H 1 7.1 0.02 . 1 . . . . . . . . 5401 1 203 . 1 1 17 17 TYR CE1 C 13 118.25 0.05 . 1 . . . . . . . . 5401 1 204 . 1 1 17 17 TYR CE2 C 13 118.25 0.05 . 1 . . . . . . . . 5401 1 205 . 1 1 17 17 TYR HE1 H 1 6.78 0.02 . 1 . . . . . . . . 5401 1 206 . 1 1 17 17 TYR HE2 H 1 6.78 0.02 . 1 . . . . . . . . 5401 1 207 . 1 1 17 17 TYR C C 13 177.11 0.05 . 1 . . . . . . . . 5401 1 208 . 1 1 18 18 ASP N N 15 119.05 0.05 . 1 . . . . . . . . 5401 1 209 . 1 1 18 18 ASP H H 1 8.42 0.02 . 1 . . . . . . . . 5401 1 210 . 1 1 18 18 ASP CA C 13 50.74 0.05 . 1 . . . . . . . . 5401 1 211 . 1 1 18 18 ASP HA H 1 4.57 0.02 . 1 . . . . . . . . 5401 1 212 . 1 1 18 18 ASP CB C 13 42.61 0.05 . 1 . . . . . . . . 5401 1 213 . 1 1 18 18 ASP HB2 H 1 2.93 0.02 . 2 . . . . . . . . 5401 1 214 . 1 1 18 18 ASP HB3 H 1 2.39 0.02 . 2 . . . . . . . . 5401 1 215 . 1 1 18 18 ASP C C 13 174.17 0.05 . 1 . . . . . . . . 5401 1 216 . 1 1 19 19 PRO CA C 13 61.7 0.05 . 1 . . . . . . . . 5401 1 217 . 1 1 19 19 PRO HA H 1 1.05 0.02 . 1 . . . . . . . . 5401 1 218 . 1 1 19 19 PRO CB C 13 30.46 0.05 . 1 . . . . . . . . 5401 1 219 . 1 1 19 19 PRO HB2 H 1 -0.32 0.02 . 2 . . . . . . . . 5401 1 220 . 1 1 19 19 PRO HB3 H 1 0.39 0.02 . 2 . . . . . . . . 5401 1 221 . 1 1 19 19 PRO CG C 13 27.11 0.05 . 1 . . . . . . . . 5401 1 222 . 1 1 19 19 PRO HG2 H 1 0.74 0.02 . 2 . . . . . . . . 5401 1 223 . 1 1 19 19 PRO HG3 H 1 1.07 0.02 . 2 . . . . . . . . 5401 1 224 . 1 1 19 19 PRO CD C 13 50.12 0.05 . 1 . . . . . . . . 5401 1 225 . 1 1 19 19 PRO HD2 H 1 3.46 0.02 . 1 . . . . . . . . 5401 1 226 . 1 1 19 19 PRO HD3 H 1 3.68 0.02 . 1 . . . . . . . . 5401 1 227 . 1 1 19 19 PRO C C 13 176.21 0.05 . 1 . . . . . . . . 5401 1 228 . 1 1 20 20 ILE N N 15 117.24 0.05 . 1 . . . . . . . . 5401 1 229 . 1 1 20 20 ILE H H 1 7.54 0.02 . 1 . . . . . . . . 5401 1 230 . 1 1 20 20 ILE CA C 13 63.79 0.05 . 1 . . . . . . . . 5401 1 231 . 1 1 20 20 ILE HA H 1 3.32 0.02 . 1 . . . . . . . . 5401 1 232 . 1 1 20 20 ILE CB C 13 37.81 0.05 . 1 . . . . . . . . 5401 1 233 . 1 1 20 20 ILE HB H 1 1.33 0.02 . 1 . . . . . . . . 5401 1 234 . 1 1 20 20 ILE CG1 C 13 29.04 0.05 . 1 . . . . . . . . 5401 1 235 . 1 1 20 20 ILE HG12 H 1 0.92 0.02 . 1 . . . . . . . . 5401 1 236 . 1 1 20 20 ILE HG13 H 1 0.92 0.02 . 1 . . . . . . . . 5401 1 237 . 1 1 20 20 ILE CD1 C 13 14.14 0.05 . 1 . . . . . . . . 5401 1 238 . 1 1 20 20 ILE HD11 H 1 0.63 0.02 . 1 . . . . . . . . 5401 1 239 . 1 1 20 20 ILE HD12 H 1 0.63 0.02 . 1 . . . . . . . . 5401 1 240 . 1 1 20 20 ILE HD13 H 1 0.63 0.02 . 1 . . . . . . . . 5401 1 241 . 1 1 20 20 ILE CG2 C 13 15.95 0.05 . 1 . . . . . . . . 5401 1 242 . 1 1 20 20 ILE HG21 H 1 0.17 0.02 . 1 . . . . . . . . 5401 1 243 . 1 1 20 20 ILE HG22 H 1 0.17 0.02 . 1 . . . . . . . . 5401 1 244 . 1 1 20 20 ILE HG23 H 1 0.17 0.02 . 1 . . . . . . . . 5401 1 245 . 1 1 20 20 ILE C C 13 177.19 0.05 . 1 . . . . . . . . 5401 1 246 . 1 1 21 21 HIS N N 15 118.18 0.05 . 1 . . . . . . . . 5401 1 247 . 1 1 21 21 HIS H H 1 7.59 0.02 . 1 . . . . . . . . 5401 1 248 . 1 1 21 21 HIS CA C 13 55.53 0.05 . 1 . . . . . . . . 5401 1 249 . 1 1 21 21 HIS HA H 1 4.75 0.02 . 1 . . . . . . . . 5401 1 250 . 1 1 21 21 HIS CB C 13 31.84 0.05 . 1 . . . . . . . . 5401 1 251 . 1 1 21 21 HIS HB2 H 1 3.49 0.02 . 2 . . . . . . . . 5401 1 252 . 1 1 21 21 HIS HB3 H 1 2.9 0.02 . 2 . . . . . . . . 5401 1 253 . 1 1 21 21 HIS ND1 N 15 233.34 0.05 . 1 . . . . . . . . 5401 1 254 . 1 1 21 21 HIS CD2 C 13 118.7 0.05 . 1 . . . . . . . . 5401 1 255 . 1 1 21 21 HIS HD2 H 1 7.05 0.02 . 1 . . . . . . . . 5401 1 256 . 1 1 21 21 HIS CE1 C 13 138.7 0.05 . 1 . . . . . . . . 5401 1 257 . 1 1 21 21 HIS HE1 H 1 7.71 0.02 . 1 . . . . . . . . 5401 1 258 . 1 1 21 21 HIS NE2 N 15 173.2 0.05 . 1 . . . . . . . . 5401 1 259 . 1 1 21 21 HIS C C 13 176.73 0.05 . 1 . . . . . . . . 5401 1 260 . 1 1 22 22 TRP N N 15 120.23 0.05 . 1 . . . . . . . . 5401 1 261 . 1 1 22 22 TRP H H 1 7.84 0.02 . 1 . . . . . . . . 5401 1 262 . 1 1 22 22 TRP CA C 13 55.48 0.05 . 1 . . . . . . . . 5401 1 263 . 1 1 22 22 TRP HA H 1 5.33 0.02 . 1 . . . . . . . . 5401 1 264 . 1 1 22 22 TRP CB C 13 30.84 0.05 . 1 . . . . . . . . 5401 1 265 . 1 1 22 22 TRP HB2 H 1 3.47 0.02 . 2 . . . . . . . . 5401 1 266 . 1 1 22 22 TRP HB3 H 1 3.26 0.02 . 2 . . . . . . . . 5401 1 267 . 1 1 22 22 TRP CD1 C 13 124.25 0.05 . 1 . . . . . . . . 5401 1 268 . 1 1 22 22 TRP HD1 H 1 6.55 0.02 . 1 . . . . . . . . 5401 1 269 . 1 1 22 22 TRP NE1 N 15 128.07 0.05 . 1 . . . . . . . . 5401 1 270 . 1 1 22 22 TRP HE1 H 1 9.87 0.02 . 1 . . . . . . . . 5401 1 271 . 1 1 22 22 TRP CE3 C 13 120.75 0.05 . 1 . . . . . . . . 5401 1 272 . 1 1 22 22 TRP HE3 H 1 7.39 0.02 . 1 . . . . . . . . 5401 1 273 . 1 1 22 22 TRP CZ2 C 13 112.87 0.05 . 1 . . . . . . . . 5401 1 274 . 1 1 22 22 TRP HZ2 H 1 7.27 0.02 . 1 . . . . . . . . 5401 1 275 . 1 1 22 22 TRP CZ3 C 13 122.25 0.05 . 1 . . . . . . . . 5401 1 276 . 1 1 22 22 TRP HZ3 H 1 6.35 0.02 . 1 . . . . . . . . 5401 1 277 . 1 1 22 22 TRP CH2 C 13 125.87 0.05 . 1 . . . . . . . . 5401 1 278 . 1 1 22 22 TRP HH2 H 1 6.18 0.02 . 1 . . . . . . . . 5401 1 279 . 1 1 22 22 TRP C C 13 178.51 0.05 . 1 . . . . . . . . 5401 1 280 . 1 1 23 23 SER N N 15 122.27 0.05 . 1 . . . . . . . . 5401 1 281 . 1 1 23 23 SER H H 1 9.33 0.02 . 1 . . . . . . . . 5401 1 282 . 1 1 23 23 SER CA C 13 56.8 0.05 . 1 . . . . . . . . 5401 1 283 . 1 1 23 23 SER HA H 1 4.94 0.02 . 1 . . . . . . . . 5401 1 284 . 1 1 23 23 SER CB C 13 65.51 0.05 . 1 . . . . . . . . 5401 1 285 . 1 1 23 23 SER HB3 H 1 4.53 0.02 . 1 . . . . . . . . 5401 1 286 . 1 1 23 23 SER HB2 H 1 4.11 0.02 . 1 . . . . . . . . 5401 1 287 . 1 1 23 23 SER C C 13 175.81 0.05 . 1 . . . . . . . . 5401 1 288 . 1 1 24 24 THR N N 15 116.12 0.05 . 1 . . . . . . . . 5401 1 289 . 1 1 24 24 THR H H 1 8.97 0.02 . 1 . . . . . . . . 5401 1 290 . 1 1 24 24 THR CA C 13 67.92 0.05 . 1 . . . . . . . . 5401 1 291 . 1 1 24 24 THR HA H 1 4.44 0.02 . 1 . . . . . . . . 5401 1 292 . 1 1 24 24 THR CB C 13 65.73 0.05 . 1 . . . . . . . . 5401 1 293 . 1 1 24 24 THR HB H 1 4.43 0.02 . 1 . . . . . . . . 5401 1 294 . 1 1 24 24 THR CG2 C 13 21.88 0.05 . 1 . . . . . . . . 5401 1 295 . 1 1 24 24 THR HG21 H 1 1.15 0.02 . 1 . . . . . . . . 5401 1 296 . 1 1 24 24 THR HG22 H 1 1.15 0.02 . 1 . . . . . . . . 5401 1 297 . 1 1 24 24 THR HG23 H 1 1.15 0.02 . 1 . . . . . . . . 5401 1 298 . 1 1 24 24 THR C C 13 176.85 0.05 . 1 . . . . . . . . 5401 1 299 . 1 1 25 25 ASP N N 15 118.6 0.05 . 1 . . . . . . . . 5401 1 300 . 1 1 25 25 ASP H H 1 8.18 0.02 . 1 . . . . . . . . 5401 1 301 . 1 1 25 25 ASP CA C 13 57.32 0.05 . 1 . . . . . . . . 5401 1 302 . 1 1 25 25 ASP HA H 1 4.46 0.02 . 1 . . . . . . . . 5401 1 303 . 1 1 25 25 ASP CB C 13 40.64 0.05 . 1 . . . . . . . . 5401 1 304 . 1 1 25 25 ASP HB2 H 1 2.66 0.02 . 2 . . . . . . . . 5401 1 305 . 1 1 25 25 ASP HB3 H 1 2.55 0.02 . 2 . . . . . . . . 5401 1 306 . 1 1 25 25 ASP C C 13 179.28 0.05 . 1 . . . . . . . . 5401 1 307 . 1 1 26 26 GLN N N 15 120.89 0.05 . 1 . . . . . . . . 5401 1 308 . 1 1 26 26 GLN H H 1 7.71 0.02 . 1 . . . . . . . . 5401 1 309 . 1 1 26 26 GLN CA C 13 58.54 0.05 . 1 . . . . . . . . 5401 1 310 . 1 1 26 26 GLN HA H 1 3.96 0.02 . 1 . . . . . . . . 5401 1 311 . 1 1 26 26 GLN CB C 13 25.95 0.05 . 1 . . . . . . . . 5401 1 312 . 1 1 26 26 GLN HB3 H 1 1.37 0.02 . 1 . . . . . . . . 5401 1 313 . 1 1 26 26 GLN HB2 H 1 2.46 0.02 . 1 . . . . . . . . 5401 1 314 . 1 1 26 26 GLN CG C 13 34.98 0.05 . 1 . . . . . . . . 5401 1 315 . 1 1 26 26 GLN HG2 H 1 2.13 0.02 . 2 . . . . . . . . 5401 1 316 . 1 1 26 26 GLN HG3 H 1 2.47 0.02 . 2 . . . . . . . . 5401 1 317 . 1 1 26 26 GLN NE2 N 15 110.12 0.05 . 1 . . . . . . . . 5401 1 318 . 1 1 26 26 GLN HE21 H 1 7.54 0.02 . 1 . . . . . . . . 5401 1 319 . 1 1 26 26 GLN HE22 H 1 6.96 0.02 . 1 . . . . . . . . 5401 1 320 . 1 1 26 26 GLN C C 13 179.82 0.05 . 1 . . . . . . . . 5401 1 321 . 1 1 27 27 VAL N N 15 127.2 0.05 . 1 . . . . . . . . 5401 1 322 . 1 1 27 27 VAL H H 1 8.79 0.02 . 1 . . . . . . . . 5401 1 323 . 1 1 27 27 VAL CA C 13 68.07 0.05 . 1 . . . . . . . . 5401 1 324 . 1 1 27 27 VAL HA H 1 4.26 0.02 . 1 . . . . . . . . 5401 1 325 . 1 1 27 27 VAL CB C 13 32.12 0.05 . 1 . . . . . . . . 5401 1 326 . 1 1 27 27 VAL HB H 1 1.47 0.02 . 1 . . . . . . . . 5401 1 327 . 1 1 27 27 VAL CG2 C 13 24.04 0.05 . 1 . . . . . . . . 5401 1 328 . 1 1 27 27 VAL HG21 H 1 0.95 0.02 . 1 . . . . . . . . 5401 1 329 . 1 1 27 27 VAL HG22 H 1 0.95 0.02 . 1 . . . . . . . . 5401 1 330 . 1 1 27 27 VAL HG23 H 1 0.95 0.02 . 1 . . . . . . . . 5401 1 331 . 1 1 27 27 VAL C C 13 177.93 0.05 . 1 . . . . . . . . 5401 1 332 . 1 1 28 28 LEU N N 15 118.59 0.05 . 1 . . . . . . . . 5401 1 333 . 1 1 28 28 LEU H H 1 8.21 0.02 . 1 . . . . . . . . 5401 1 334 . 1 1 28 28 LEU CA C 13 58.28 0.05 . 1 . . . . . . . . 5401 1 335 . 1 1 28 28 LEU HA H 1 4.16 0.02 . 1 . . . . . . . . 5401 1 336 . 1 1 28 28 LEU CB C 13 41.54 0.05 . 1 . . . . . . . . 5401 1 337 . 1 1 28 28 LEU HB3 H 1 1.61 0.02 . 1 . . . . . . . . 5401 1 338 . 1 1 28 28 LEU HB2 H 1 1.96 0.02 . 1 . . . . . . . . 5401 1 339 . 1 1 28 28 LEU CG C 13 27.24 0.05 . 1 . . . . . . . . 5401 1 340 . 1 1 28 28 LEU HG H 1 2.05 0.02 . 1 . . . . . . . . 5401 1 341 . 1 1 28 28 LEU CD1 C 13 25.27 0.05 . 1 . . . . . . . . 5401 1 342 . 1 1 28 28 LEU HD11 H 1 0.93 0.02 . 1 . . . . . . . . 5401 1 343 . 1 1 28 28 LEU HD12 H 1 0.93 0.02 . 1 . . . . . . . . 5401 1 344 . 1 1 28 28 LEU HD13 H 1 0.93 0.02 . 1 . . . . . . . . 5401 1 345 . 1 1 28 28 LEU CD2 C 13 23.68 0.05 . 1 . . . . . . . . 5401 1 346 . 1 1 28 28 LEU HD21 H 1 1.46 0.02 . 1 . . . . . . . . 5401 1 347 . 1 1 28 28 LEU HD22 H 1 1.46 0.02 . 1 . . . . . . . . 5401 1 348 . 1 1 28 28 LEU HD23 H 1 1.46 0.02 . 1 . . . . . . . . 5401 1 349 . 1 1 28 28 LEU C C 13 178.64 0.05 . 1 . . . . . . . . 5401 1 350 . 1 1 29 29 HIS N N 15 118.2 0.05 . 1 . . . . . . . . 5401 1 351 . 1 1 29 29 HIS H H 1 8.1 0.02 . 1 . . . . . . . . 5401 1 352 . 1 1 29 29 HIS CA C 13 60.65 0.05 . 1 . . . . . . . . 5401 1 353 . 1 1 29 29 HIS HA H 1 3.97 0.02 . 1 . . . . . . . . 5401 1 354 . 1 1 29 29 HIS CB C 13 30.63 0.05 . 1 . . . . . . . . 5401 1 355 . 1 1 29 29 HIS HB2 H 1 3.23 0.02 . 2 . . . . . . . . 5401 1 356 . 1 1 29 29 HIS HB3 H 1 3.11 0.02 . 2 . . . . . . . . 5401 1 357 . 1 1 29 29 HIS ND1 N 15 215.99 0.05 . 1 . . . . . . . . 5401 1 358 . 1 1 29 29 HIS CD2 C 13 118.9 0.05 . 1 . . . . . . . . 5401 1 359 . 1 1 29 29 HIS HD2 H 1 7.34 0.02 . 1 . . . . . . . . 5401 1 360 . 1 1 29 29 HIS CE1 C 13 138.0 0.05 . 1 . . . . . . . . 5401 1 361 . 1 1 29 29 HIS HE1 H 1 7.99 0.02 . 1 . . . . . . . . 5401 1 362 . 1 1 29 29 HIS NE2 N 15 176.29 0.05 . 1 . . . . . . . . 5401 1 363 . 1 1 29 29 HIS C C 13 177.05 0.05 . 1 . . . . . . . . 5401 1 364 . 1 1 30 30 TRP N N 15 121.65 0.05 . 1 . . . . . . . . 5401 1 365 . 1 1 30 30 TRP H H 1 7.55 0.02 . 1 . . . . . . . . 5401 1 366 . 1 1 30 30 TRP CA C 13 60.62 0.05 . 1 . . . . . . . . 5401 1 367 . 1 1 30 30 TRP HA H 1 4.16 0.02 . 1 . . . . . . . . 5401 1 368 . 1 1 30 30 TRP CB C 13 27.63 0.05 . 1 . . . . . . . . 5401 1 369 . 1 1 30 30 TRP HB2 H 1 3.76 0.02 . 2 . . . . . . . . 5401 1 370 . 1 1 30 30 TRP HB3 H 1 2.91 0.02 . 2 . . . . . . . . 5401 1 371 . 1 1 30 30 TRP CD1 C 13 126.13 0.05 . 1 . . . . . . . . 5401 1 372 . 1 1 30 30 TRP HD1 H 1 5.71 0.02 . 1 . . . . . . . . 5401 1 373 . 1 1 30 30 TRP NE1 N 15 137.32 0.05 . 1 . . . . . . . . 5401 1 374 . 1 1 30 30 TRP HE1 H 1 12.51 0.02 . 1 . . . . . . . . 5401 1 375 . 1 1 30 30 TRP CE3 C 13 121.37 0.05 . 1 . . . . . . . . 5401 1 376 . 1 1 30 30 TRP HE3 H 1 8.19 0.02 . 1 . . . . . . . . 5401 1 377 . 1 1 30 30 TRP CZ2 C 13 114.49 0.05 . 1 . . . . . . . . 5401 1 378 . 1 1 30 30 TRP HZ2 H 1 7.87 0.02 . 1 . . . . . . . . 5401 1 379 . 1 1 30 30 TRP CZ3 C 13 120.37 0.05 . 1 . . . . . . . . 5401 1 380 . 1 1 30 30 TRP HZ3 H 1 7.03 0.02 . 1 . . . . . . . . 5401 1 381 . 1 1 30 30 TRP CH2 C 13 123.37 0.05 . 1 . . . . . . . . 5401 1 382 . 1 1 30 30 TRP HH2 H 1 7.03 0.02 . 1 . . . . . . . . 5401 1 383 . 1 1 30 30 TRP C C 13 176.18 0.05 . 1 . . . . . . . . 5401 1 384 . 1 1 31 31 VAL N N 15 118.31 0.05 . 1 . . . . . . . . 5401 1 385 . 1 1 31 31 VAL H H 1 8.4 0.02 . 1 . . . . . . . . 5401 1 386 . 1 1 31 31 VAL CA C 13 66.49 0.05 . 1 . . . . . . . . 5401 1 387 . 1 1 31 31 VAL HA H 1 2.6 0.02 . 1 . . . . . . . . 5401 1 388 . 1 1 31 31 VAL CB C 13 31.75 0.05 . 1 . . . . . . . . 5401 1 389 . 1 1 31 31 VAL HB H 1 2.11 0.02 . 1 . . . . . . . . 5401 1 390 . 1 1 31 31 VAL CG1 C 13 22.63 0.05 . 1 . . . . . . . . 5401 1 391 . 1 1 31 31 VAL HG11 H 1 0.76 0.02 . 1 . . . . . . . . 5401 1 392 . 1 1 31 31 VAL HG12 H 1 0.76 0.02 . 1 . . . . . . . . 5401 1 393 . 1 1 31 31 VAL HG13 H 1 0.76 0.02 . 1 . . . . . . . . 5401 1 394 . 1 1 31 31 VAL CG2 C 13 24.04 0.05 . 1 . . . . . . . . 5401 1 395 . 1 1 31 31 VAL HG21 H 1 1.19 0.02 . 1 . . . . . . . . 5401 1 396 . 1 1 31 31 VAL HG22 H 1 1.19 0.02 . 1 . . . . . . . . 5401 1 397 . 1 1 31 31 VAL HG23 H 1 1.19 0.02 . 1 . . . . . . . . 5401 1 398 . 1 1 31 31 VAL C C 13 178.05 0.05 . 1 . . . . . . . . 5401 1 399 . 1 1 32 32 VAL N N 15 117 0.05 . 1 . . . . . . . . 5401 1 400 . 1 1 32 32 VAL H H 1 8.07 0.02 . 1 . . . . . . . . 5401 1 401 . 1 1 32 32 VAL CA C 13 66.53 0.05 . 1 . . . . . . . . 5401 1 402 . 1 1 32 32 VAL HA H 1 3.49 0.02 . 1 . . . . . . . . 5401 1 403 . 1 1 32 32 VAL CB C 13 31.53 0.05 . 1 . . . . . . . . 5401 1 404 . 1 1 32 32 VAL HB H 1 2.01 0.02 . 1 . . . . . . . . 5401 1 405 . 1 1 32 32 VAL CG1 C 13 21.38 0.05 . 1 . . . . . . . . 5401 1 406 . 1 1 32 32 VAL HG11 H 1 0.84 0.02 . 1 . . . . . . . . 5401 1 407 . 1 1 32 32 VAL HG12 H 1 0.84 0.02 . 1 . . . . . . . . 5401 1 408 . 1 1 32 32 VAL HG13 H 1 0.84 0.02 . 1 . . . . . . . . 5401 1 409 . 1 1 32 32 VAL CG2 C 13 23.34 0.05 . 1 . . . . . . . . 5401 1 410 . 1 1 32 32 VAL HG21 H 1 1.04 0.02 . 1 . . . . . . . . 5401 1 411 . 1 1 32 32 VAL HG22 H 1 1.04 0.02 . 1 . . . . . . . . 5401 1 412 . 1 1 32 32 VAL HG23 H 1 1.04 0.02 . 1 . . . . . . . . 5401 1 413 . 1 1 32 32 VAL C C 13 177.85 0.05 . 1 . . . . . . . . 5401 1 414 . 1 1 33 33 TRP N N 15 122.7 0.05 . 1 . . . . . . . . 5401 1 415 . 1 1 33 33 TRP H H 1 8.16 0.02 . 1 . . . . . . . . 5401 1 416 . 1 1 33 33 TRP CA C 13 62.77 0.05 . 1 . . . . . . . . 5401 1 417 . 1 1 33 33 TRP HA H 1 3.88 0.02 . 1 . . . . . . . . 5401 1 418 . 1 1 33 33 TRP CB C 13 29.55 0.05 . 1 . . . . . . . . 5401 1 419 . 1 1 33 33 TRP HB2 H 1 3.14 0.02 . 2 . . . . . . . . 5401 1 420 . 1 1 33 33 TRP HB3 H 1 3.52 0.02 . 2 . . . . . . . . 5401 1 421 . 1 1 33 33 TRP CD1 C 13 127.13 0.05 . 1 . . . . . . . . 5401 1 422 . 1 1 33 33 TRP HD1 H 1 7.29 0.02 . 1 . . . . . . . . 5401 1 423 . 1 1 33 33 TRP NE1 N 15 129.4 0.05 . 1 . . . . . . . . 5401 1 424 . 1 1 33 33 TRP HE1 H 1 10.21 0.02 . 1 . . . . . . . . 5401 1 425 . 1 1 33 33 TRP CE3 C 13 121.62 0.05 . 1 . . . . . . . . 5401 1 426 . 1 1 33 33 TRP HE3 H 1 7.27 0.02 . 1 . . . . . . . . 5401 1 427 . 1 1 33 33 TRP CZ2 C 13 113.87 0.05 . 1 . . . . . . . . 5401 1 428 . 1 1 33 33 TRP HZ2 H 1 7.32 0.02 . 1 . . . . . . . . 5401 1 429 . 1 1 33 33 TRP CZ3 C 13 124.25 0.05 . 1 . . . . . . . . 5401 1 430 . 1 1 33 33 TRP HZ3 H 1 7.29 0.02 . 1 . . . . . . . . 5401 1 431 . 1 1 33 33 TRP CH2 C 13 120.37 0.05 . 1 . . . . . . . . 5401 1 432 . 1 1 33 33 TRP HH2 H 1 6.71 0.02 . 1 . . . . . . . . 5401 1 433 . 1 1 33 33 TRP C C 13 178.91 0.05 . 1 . . . . . . . . 5401 1 434 . 1 1 34 34 VAL N N 15 120.64 0.05 . 1 . . . . . . . . 5401 1 435 . 1 1 34 34 VAL H H 1 8.72 0.02 . 1 . . . . . . . . 5401 1 436 . 1 1 34 34 VAL CA C 13 67.01 0.05 . 1 . . . . . . . . 5401 1 437 . 1 1 34 34 VAL HA H 1 3.21 0.02 . 1 . . . . . . . . 5401 1 438 . 1 1 34 34 VAL CB C 13 31.41 0.05 . 1 . . . . . . . . 5401 1 439 . 1 1 34 34 VAL HB H 1 1.63 0.02 . 1 . . . . . . . . 5401 1 440 . 1 1 34 34 VAL CG1 C 13 22.74 0.05 . 1 . . . . . . . . 5401 1 441 . 1 1 34 34 VAL HG11 H 1 0.63 0.02 . 1 . . . . . . . . 5401 1 442 . 1 1 34 34 VAL HG12 H 1 0.63 0.02 . 1 . . . . . . . . 5401 1 443 . 1 1 34 34 VAL HG13 H 1 0.63 0.02 . 1 . . . . . . . . 5401 1 444 . 1 1 34 34 VAL CG2 C 13 24.06 0.05 . 1 . . . . . . . . 5401 1 445 . 1 1 34 34 VAL HG21 H 1 0.52 0.02 . 1 . . . . . . . . 5401 1 446 . 1 1 34 34 VAL HG22 H 1 0.52 0.02 . 1 . . . . . . . . 5401 1 447 . 1 1 34 34 VAL HG23 H 1 0.52 0.02 . 1 . . . . . . . . 5401 1 448 . 1 1 34 34 VAL C C 13 178.2 0.05 . 1 . . . . . . . . 5401 1 449 . 1 1 35 35 MET N N 15 117.77 0.05 . 1 . . . . . . . . 5401 1 450 . 1 1 35 35 MET H H 1 8.55 0.02 . 1 . . . . . . . . 5401 1 451 . 1 1 35 35 MET CA C 13 59.71 0.05 . 1 . . . . . . . . 5401 1 452 . 1 1 35 35 MET HA H 1 3.85 0.02 . 1 . . . . . . . . 5401 1 453 . 1 1 35 35 MET CB C 13 33.16 0.05 . 1 . . . . . . . . 5401 1 454 . 1 1 35 35 MET HB2 H 1 2.15 0.02 . 1 . . . . . . . . 5401 1 455 . 1 1 35 35 MET HB3 H 1 2.15 0.02 . 1 . . . . . . . . 5401 1 456 . 1 1 35 35 MET CG C 13 31.95 0.05 . 1 . . . . . . . . 5401 1 457 . 1 1 35 35 MET HG2 H 1 2.34 0.02 . 2 . . . . . . . . 5401 1 458 . 1 1 35 35 MET HG3 H 1 2.76 0.02 . 2 . . . . . . . . 5401 1 459 . 1 1 35 35 MET CE C 13 16.73 0.05 . 1 . . . . . . . . 5401 1 460 . 1 1 35 35 MET HE1 H 1 1.97 0.02 . 1 . . . . . . . . 5401 1 461 . 1 1 35 35 MET HE2 H 1 1.97 0.02 . 1 . . . . . . . . 5401 1 462 . 1 1 35 35 MET HE3 H 1 1.97 0.02 . 1 . . . . . . . . 5401 1 463 . 1 1 35 35 MET C C 13 178.7 0.05 . 1 . . . . . . . . 5401 1 464 . 1 1 36 36 LYS N N 15 118.18 0.05 . 1 . . . . . . . . 5401 1 465 . 1 1 36 36 LYS H H 1 7.82 0.02 . 1 . . . . . . . . 5401 1 466 . 1 1 36 36 LYS CA C 13 58.71 0.05 . 1 . . . . . . . . 5401 1 467 . 1 1 36 36 LYS HA H 1 3.98 0.02 . 1 . . . . . . . . 5401 1 468 . 1 1 36 36 LYS CB C 13 31.86 0.05 . 1 . . . . . . . . 5401 1 469 . 1 1 36 36 LYS HB2 H 1 1.73 0.02 . 1 . . . . . . . . 5401 1 470 . 1 1 36 36 LYS HB3 H 1 1.73 0.02 . 1 . . . . . . . . 5401 1 471 . 1 1 36 36 LYS HG2 H 1 1.41 0.02 . 2 . . . . . . . . 5401 1 472 . 1 1 36 36 LYS HG3 H 1 1.26 0.02 . 2 . . . . . . . . 5401 1 473 . 1 1 36 36 LYS CD C 13 29.11 0.05 . 1 . . . . . . . . 5401 1 474 . 1 1 36 36 LYS HD2 H 1 1.54 0.02 . 1 . . . . . . . . 5401 1 475 . 1 1 36 36 LYS HD3 H 1 1.54 0.02 . 1 . . . . . . . . 5401 1 476 . 1 1 36 36 LYS CE C 13 41.8 0.05 . 1 . . . . . . . . 5401 1 477 . 1 1 36 36 LYS HE2 H 1 2.83 0.02 . 1 . . . . . . . . 5401 1 478 . 1 1 36 36 LYS HE3 H 1 2.83 0.02 . 1 . . . . . . . . 5401 1 479 . 1 1 36 36 LYS C C 13 179.54 0.05 . 1 . . . . . . . . 5401 1 480 . 1 1 37 37 GLU N N 15 121.86 0.05 . 1 . . . . . . . . 5401 1 481 . 1 1 37 37 GLU H H 1 8.17 0.02 . 1 . . . . . . . . 5401 1 482 . 1 1 37 37 GLU CA C 13 58.26 0.05 . 1 . . . . . . . . 5401 1 483 . 1 1 37 37 GLU HA H 1 3.54 0.02 . 1 . . . . . . . . 5401 1 484 . 1 1 37 37 GLU CB C 13 28.73 0.05 . 1 . . . . . . . . 5401 1 485 . 1 1 37 37 GLU HB2 H 1 1.1 0.02 . 2 . . . . . . . . 5401 1 486 . 1 1 37 37 GLU HB3 H 1 0.87 0.02 . 2 . . . . . . . . 5401 1 487 . 1 1 37 37 GLU CG C 13 34.12 0.05 . 1 . . . . . . . . 5401 1 488 . 1 1 37 37 GLU HG2 H 1 1.36 0.02 . 2 . . . . . . . . 5401 1 489 . 1 1 37 37 GLU HG3 H 1 0.8 0.02 . 2 . . . . . . . . 5401 1 490 . 1 1 37 37 GLU C C 13 177.99 0.05 . 1 . . . . . . . . 5401 1 491 . 1 1 38 38 PHE N N 15 113.6 0.05 . 1 . . . . . . . . 5401 1 492 . 1 1 38 38 PHE H H 1 7.94 0.02 . 1 . . . . . . . . 5401 1 493 . 1 1 38 38 PHE CA C 13 57.67 0.05 . 1 . . . . . . . . 5401 1 494 . 1 1 38 38 PHE HA H 1 4.49 0.02 . 1 . . . . . . . . 5401 1 495 . 1 1 38 38 PHE CB C 13 38.72 0.05 . 1 . . . . . . . . 5401 1 496 . 1 1 38 38 PHE HB2 H 1 3.38 0.02 . 2 . . . . . . . . 5401 1 497 . 1 1 38 38 PHE HB3 H 1 2.61 0.02 . 2 . . . . . . . . 5401 1 498 . 1 1 38 38 PHE CD1 C 13 132.38 0.05 . 1 . . . . . . . . 5401 1 499 . 1 1 38 38 PHE CD2 C 13 132.38 0.05 . 1 . . . . . . . . 5401 1 500 . 1 1 38 38 PHE HD1 H 1 7.41 0.02 . 1 . . . . . . . . 5401 1 501 . 1 1 38 38 PHE HD2 H 1 7.41 0.02 . 1 . . . . . . . . 5401 1 502 . 1 1 38 38 PHE CE1 C 13 130.63 0.05 . 1 . . . . . . . . 5401 1 503 . 1 1 38 38 PHE CE2 C 13 130.63 0.05 . 1 . . . . . . . . 5401 1 504 . 1 1 38 38 PHE HE1 H 1 7.2 0.02 . 1 . . . . . . . . 5401 1 505 . 1 1 38 38 PHE HE2 H 1 7.2 0.02 . 1 . . . . . . . . 5401 1 506 . 1 1 38 38 PHE C C 13 174.21 0.05 . 1 . . . . . . . . 5401 1 507 . 1 1 39 39 SER N N 15 114.91 0.05 . 1 . . . . . . . . 5401 1 508 . 1 1 39 39 SER H H 1 7.5 0.02 . 1 . . . . . . . . 5401 1 509 . 1 1 39 39 SER CA C 13 58.68 0.05 . 1 . . . . . . . . 5401 1 510 . 1 1 39 39 SER HA H 1 4.03 0.02 . 1 . . . . . . . . 5401 1 511 . 1 1 39 39 SER CB C 13 61.13 0.05 . 1 . . . . . . . . 5401 1 512 . 1 1 39 39 SER HB2 H 1 4.46 0.02 . 1 . . . . . . . . 5401 1 513 . 1 1 39 39 SER HB3 H 1 4.46 0.02 . 1 . . . . . . . . 5401 1 514 . 1 1 39 39 SER C C 13 174.19 0.05 . 1 . . . . . . . . 5401 1 515 . 1 1 40 40 MET N N 15 119 0.05 . 1 . . . . . . . . 5401 1 516 . 1 1 40 40 MET H H 1 8.7 0.02 . 1 . . . . . . . . 5401 1 517 . 1 1 40 40 MET CA C 13 55.17 0.05 . 1 . . . . . . . . 5401 1 518 . 1 1 40 40 MET HA H 1 4.58 0.02 . 1 . . . . . . . . 5401 1 519 . 1 1 40 40 MET CB C 13 35.25 0.05 . 1 . . . . . . . . 5401 1 520 . 1 1 40 40 MET HB2 H 1 1.74 0.02 . 2 . . . . . . . . 5401 1 521 . 1 1 40 40 MET HB3 H 1 2.19 0.02 . 2 . . . . . . . . 5401 1 522 . 1 1 40 40 MET CG C 13 31.81 0.05 . 1 . . . . . . . . 5401 1 523 . 1 1 40 40 MET HG2 H 1 2.45 0.02 . 2 . . . . . . . . 5401 1 524 . 1 1 40 40 MET HG3 H 1 2.54 0.02 . 2 . . . . . . . . 5401 1 525 . 1 1 40 40 MET CE C 13 17.16 0.05 . 1 . . . . . . . . 5401 1 526 . 1 1 40 40 MET HE1 H 1 2.01 0.02 . 1 . . . . . . . . 5401 1 527 . 1 1 40 40 MET HE2 H 1 2.01 0.02 . 1 . . . . . . . . 5401 1 528 . 1 1 40 40 MET HE3 H 1 2.01 0.02 . 1 . . . . . . . . 5401 1 529 . 1 1 40 40 MET C C 13 176.04 0.05 . 1 . . . . . . . . 5401 1 530 . 1 1 41 41 THR N N 15 111.24 0.05 . 1 . . . . . . . . 5401 1 531 . 1 1 41 41 THR H H 1 8.18 0.02 . 1 . . . . . . . . 5401 1 532 . 1 1 41 41 THR CA C 13 61.06 0.05 . 1 . . . . . . . . 5401 1 533 . 1 1 41 41 THR HA H 1 4.42 0.02 . 1 . . . . . . . . 5401 1 534 . 1 1 41 41 THR CB C 13 70.54 0.05 . 1 . . . . . . . . 5401 1 535 . 1 1 41 41 THR HB H 1 4.25 0.02 . 1 . . . . . . . . 5401 1 536 . 1 1 41 41 THR CG2 C 13 21.26 0.05 . 1 . . . . . . . . 5401 1 537 . 1 1 41 41 THR HG21 H 1 1.1 0.02 . 1 . . . . . . . . 5401 1 538 . 1 1 41 41 THR HG22 H 1 1.1 0.02 . 1 . . . . . . . . 5401 1 539 . 1 1 41 41 THR HG23 H 1 1.1 0.02 . 1 . . . . . . . . 5401 1 540 . 1 1 41 41 THR C C 13 174.26 0.05 . 1 . . . . . . . . 5401 1 541 . 1 1 42 42 ASP N N 15 119 0.05 . 1 . . . . . . . . 5401 1 542 . 1 1 42 42 ASP H H 1 8.39 0.02 . 1 . . . . . . . . 5401 1 543 . 1 1 42 42 ASP CA C 13 54.89 0.05 . 1 . . . . . . . . 5401 1 544 . 1 1 42 42 ASP HA H 1 4.45 0.02 . 1 . . . . . . . . 5401 1 545 . 1 1 42 42 ASP CB C 13 39.95 0.05 . 1 . . . . . . . . 5401 1 546 . 1 1 42 42 ASP HB2 H 1 2.72 0.02 . 2 . . . . . . . . 5401 1 547 . 1 1 42 42 ASP HB3 H 1 2.63 0.02 . 2 . . . . . . . . 5401 1 548 . 1 1 42 42 ASP C C 13 174.83 0.05 . 1 . . . . . . . . 5401 1 549 . 1 1 43 43 ILE N N 15 118.59 0.05 . 1 . . . . . . . . 5401 1 550 . 1 1 43 43 ILE H H 1 7.19 0.02 . 1 . . . . . . . . 5401 1 551 . 1 1 43 43 ILE CA C 13 59.46 0.05 . 1 . . . . . . . . 5401 1 552 . 1 1 43 43 ILE HA H 1 4.1 0.02 . 1 . . . . . . . . 5401 1 553 . 1 1 43 43 ILE CB C 13 39.32 0.05 . 1 . . . . . . . . 5401 1 554 . 1 1 43 43 ILE HB H 1 1.74 0.02 . 1 . . . . . . . . 5401 1 555 . 1 1 43 43 ILE CG1 C 13 26.99 0.05 . 1 . . . . . . . . 5401 1 556 . 1 1 43 43 ILE HG12 H 1 1.23 0.02 . 1 . . . . . . . . 5401 1 557 . 1 1 43 43 ILE HG13 H 1 1.07 0.02 . 1 . . . . . . . . 5401 1 558 . 1 1 43 43 ILE CD1 C 13 12 0.05 . 1 . . . . . . . . 5401 1 559 . 1 1 43 43 ILE HD11 H 1 0.64 0.02 . 1 . . . . . . . . 5401 1 560 . 1 1 43 43 ILE HD12 H 1 0.64 0.02 . 1 . . . . . . . . 5401 1 561 . 1 1 43 43 ILE HD13 H 1 0.64 0.02 . 1 . . . . . . . . 5401 1 562 . 1 1 43 43 ILE CG2 C 13 16.93 0.05 . 1 . . . . . . . . 5401 1 563 . 1 1 43 43 ILE HG21 H 1 0.6 0.02 . 1 . . . . . . . . 5401 1 564 . 1 1 43 43 ILE HG22 H 1 0.6 0.02 . 1 . . . . . . . . 5401 1 565 . 1 1 43 43 ILE HG23 H 1 0.6 0.02 . 1 . . . . . . . . 5401 1 566 . 1 1 43 43 ILE C C 13 174.56 0.05 . 1 . . . . . . . . 5401 1 567 . 1 1 44 44 ASP N N 15 125.56 0.05 . 1 . . . . . . . . 5401 1 568 . 1 1 44 44 ASP H H 1 8.36 0.02 . 1 . . . . . . . . 5401 1 569 . 1 1 44 44 ASP CA C 13 52.7 0.05 . 1 . . . . . . . . 5401 1 570 . 1 1 44 44 ASP HA H 1 4.67 0.02 . 1 . . . . . . . . 5401 1 571 . 1 1 44 44 ASP CB C 13 40.62 0.05 . 1 . . . . . . . . 5401 1 572 . 1 1 44 44 ASP HB2 H 1 2.96 0.02 . 2 . . . . . . . . 5401 1 573 . 1 1 44 44 ASP HB3 H 1 2.61 0.02 . 2 . . . . . . . . 5401 1 574 . 1 1 44 44 ASP C C 13 176.66 0.05 . 1 . . . . . . . . 5401 1 575 . 1 1 45 45 LEU N N 15 126.78 0.05 . 1 . . . . . . . . 5401 1 576 . 1 1 45 45 LEU H H 1 8.65 0.02 . 1 . . . . . . . . 5401 1 577 . 1 1 45 45 LEU CA C 13 56.89 0.05 . 1 . . . . . . . . 5401 1 578 . 1 1 45 45 LEU HA H 1 3.97 0.02 . 1 . . . . . . . . 5401 1 579 . 1 1 45 45 LEU CB C 13 41.42 0.05 . 1 . . . . . . . . 5401 1 580 . 1 1 45 45 LEU HB2 H 1 1.59 0.02 . 2 . . . . . . . . 5401 1 581 . 1 1 45 45 LEU HB3 H 1 1.74 0.02 . 2 . . . . . . . . 5401 1 582 . 1 1 45 45 LEU CG C 13 27.15 0.05 . 1 . . . . . . . . 5401 1 583 . 1 1 45 45 LEU HG H 1 0.72 0.02 . 1 . . . . . . . . 5401 1 584 . 1 1 45 45 LEU CD1 C 13 25.2 0.05 . 1 . . . . . . . . 5401 1 585 . 1 1 45 45 LEU HD11 H 1 0.88 0.02 . 1 . . . . . . . . 5401 1 586 . 1 1 45 45 LEU HD12 H 1 0.88 0.02 . 1 . . . . . . . . 5401 1 587 . 1 1 45 45 LEU HD13 H 1 0.88 0.02 . 1 . . . . . . . . 5401 1 588 . 1 1 45 45 LEU CD2 C 13 23.55 0.05 . 1 . . . . . . . . 5401 1 589 . 1 1 45 45 LEU HD21 H 1 0.77 0.02 . 1 . . . . . . . . 5401 1 590 . 1 1 45 45 LEU HD22 H 1 0.77 0.02 . 1 . . . . . . . . 5401 1 591 . 1 1 45 45 LEU HD23 H 1 0.77 0.02 . 1 . . . . . . . . 5401 1 592 . 1 1 45 45 LEU C C 13 179.03 0.05 . 1 . . . . . . . . 5401 1 593 . 1 1 46 46 THR N N 15 111.35 0.05 . 1 . . . . . . . . 5401 1 594 . 1 1 46 46 THR H H 1 8.42 0.02 . 1 . . . . . . . . 5401 1 595 . 1 1 46 46 THR CA C 13 68.88 0.05 . 1 . . . . . . . . 5401 1 596 . 1 1 46 46 THR HA H 1 4.03 0.02 . 1 . . . . . . . . 5401 1 597 . 1 1 46 46 THR CB C 13 65.43 0.05 . 1 . . . . . . . . 5401 1 598 . 1 1 46 46 THR HB H 1 4.25 0.02 . 1 . . . . . . . . 5401 1 599 . 1 1 46 46 THR CG2 C 13 21.51 0.05 . 1 . . . . . . . . 5401 1 600 . 1 1 46 46 THR HG21 H 1 1.33 0.02 . 1 . . . . . . . . 5401 1 601 . 1 1 46 46 THR HG22 H 1 1.33 0.02 . 1 . . . . . . . . 5401 1 602 . 1 1 46 46 THR HG23 H 1 1.33 0.02 . 1 . . . . . . . . 5401 1 603 . 1 1 46 46 THR C C 13 176.95 0.05 . 1 . . . . . . . . 5401 1 604 . 1 1 47 47 THR N N 15 110.44 0.05 . 1 . . . . . . . . 5401 1 605 . 1 1 47 47 THR H H 1 7.43 0.02 . 1 . . . . . . . . 5401 1 606 . 1 1 47 47 THR CA C 13 68.93 0.05 . 1 . . . . . . . . 5401 1 607 . 1 1 47 47 THR HA H 1 4.32 0.02 . 1 . . . . . . . . 5401 1 608 . 1 1 47 47 THR CB C 13 62.52 0.05 . 1 . . . . . . . . 5401 1 609 . 1 1 47 47 THR HB H 1 4.06 0.02 . 1 . . . . . . . . 5401 1 610 . 1 1 47 47 THR CG2 C 13 22.09 0.05 . 1 . . . . . . . . 5401 1 611 . 1 1 47 47 THR HG21 H 1 1.25 0.02 . 1 . . . . . . . . 5401 1 612 . 1 1 47 47 THR HG22 H 1 1.25 0.02 . 1 . . . . . . . . 5401 1 613 . 1 1 47 47 THR HG23 H 1 1.25 0.02 . 1 . . . . . . . . 5401 1 614 . 1 1 47 47 THR C C 13 174.53 0.05 . 1 . . . . . . . . 5401 1 615 . 1 1 48 48 LEU N N 15 122.26 0.05 . 1 . . . . . . . . 5401 1 616 . 1 1 48 48 LEU H H 1 7.27 0.02 . 1 . . . . . . . . 5401 1 617 . 1 1 48 48 LEU CA C 13 53.97 0.05 . 1 . . . . . . . . 5401 1 618 . 1 1 48 48 LEU HA H 1 4.5 0.02 . 1 . . . . . . . . 5401 1 619 . 1 1 48 48 LEU CB C 13 42.41 0.05 . 1 . . . . . . . . 5401 1 620 . 1 1 48 48 LEU HB2 H 1 2.1 0.02 . 2 . . . . . . . . 5401 1 621 . 1 1 48 48 LEU HB3 H 1 1.4 0.02 . 2 . . . . . . . . 5401 1 622 . 1 1 48 48 LEU CG C 13 26.44 0.05 . 1 . . . . . . . . 5401 1 623 . 1 1 48 48 LEU HG H 1 0.84 0.02 . 1 . . . . . . . . 5401 1 624 . 1 1 48 48 LEU HD11 H 1 1.57 0.02 . 1 . . . . . . . . 5401 1 625 . 1 1 48 48 LEU HD12 H 1 1.57 0.02 . 1 . . . . . . . . 5401 1 626 . 1 1 48 48 LEU HD13 H 1 1.57 0.02 . 1 . . . . . . . . 5401 1 627 . 1 1 48 48 LEU CD2 C 13 23.02 0.05 . 1 . . . . . . . . 5401 1 628 . 1 1 48 48 LEU HD21 H 1 0.82 0.02 . 1 . . . . . . . . 5401 1 629 . 1 1 48 48 LEU HD22 H 1 0.82 0.02 . 1 . . . . . . . . 5401 1 630 . 1 1 48 48 LEU HD23 H 1 0.82 0.02 . 1 . . . . . . . . 5401 1 631 . 1 1 48 48 LEU C C 13 174.43 0.05 . 1 . . . . . . . . 5401 1 632 . 1 1 49 49 ASN N N 15 120.23 0.05 . 1 . . . . . . . . 5401 1 633 . 1 1 49 49 ASN H H 1 7.54 0.02 . 1 . . . . . . . . 5401 1 634 . 1 1 49 49 ASN CA C 13 52.09 0.05 . 1 . . . . . . . . 5401 1 635 . 1 1 49 49 ASN HA H 1 4.87 0.02 . 1 . . . . . . . . 5401 1 636 . 1 1 49 49 ASN CB C 13 37.12 0.05 . 1 . . . . . . . . 5401 1 637 . 1 1 49 49 ASN HB2 H 1 2.94 0.02 . 2 . . . . . . . . 5401 1 638 . 1 1 49 49 ASN HB3 H 1 2.61 0.02 . 2 . . . . . . . . 5401 1 639 . 1 1 49 49 ASN CG C 13 177.2 0.05 . 1 . . . . . . . . 5401 1 640 . 1 1 49 49 ASN ND2 N 15 109.59 0.05 . 1 . . . . . . . . 5401 1 641 . 1 1 49 49 ASN HD21 H 1 7.34 0.02 . 1 . . . . . . . . 5401 1 642 . 1 1 49 49 ASN HD22 H 1 6.65 0.02 . 1 . . . . . . . . 5401 1 643 . 1 1 49 49 ASN C C 13 174.66 0.05 . 1 . . . . . . . . 5401 1 644 . 1 1 50 50 ILE N N 15 116.54 0.05 . 1 . . . . . . . . 5401 1 645 . 1 1 50 50 ILE H H 1 8.12 0.02 . 1 . . . . . . . . 5401 1 646 . 1 1 50 50 ILE CA C 13 59.24 0.05 . 1 . . . . . . . . 5401 1 647 . 1 1 50 50 ILE HA H 1 4.68 0.02 . 1 . . . . . . . . 5401 1 648 . 1 1 50 50 ILE CB C 13 41.69 0.05 . 1 . . . . . . . . 5401 1 649 . 1 1 50 50 ILE HB H 1 1.65 0.02 . 1 . . . . . . . . 5401 1 650 . 1 1 50 50 ILE CG1 C 13 24.76 0.05 . 1 . . . . . . . . 5401 1 651 . 1 1 50 50 ILE HG12 H 1 2.01 0.02 . 2 . . . . . . . . 5401 1 652 . 1 1 50 50 ILE HG13 H 1 1.55 0.02 . 2 . . . . . . . . 5401 1 653 . 1 1 50 50 ILE CD1 C 13 12.5 0.05 . 1 . . . . . . . . 5401 1 654 . 1 1 50 50 ILE HD11 H 1 1 0.02 . 1 . . . . . . . . 5401 1 655 . 1 1 50 50 ILE HD12 H 1 1 0.02 . 1 . . . . . . . . 5401 1 656 . 1 1 50 50 ILE HD13 H 1 1 0.02 . 1 . . . . . . . . 5401 1 657 . 1 1 50 50 ILE CG2 C 13 17.5 0.05 . 1 . . . . . . . . 5401 1 658 . 1 1 50 50 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . 5401 1 659 . 1 1 50 50 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . 5401 1 660 . 1 1 50 50 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . 5401 1 661 . 1 1 50 50 ILE C C 13 172.67 0.05 . 1 . . . . . . . . 5401 1 662 . 1 1 51 51 SER N N 15 114.09 0.05 . 1 . . . . . . . . 5401 1 663 . 1 1 51 51 SER H H 1 8.45 0.02 . 1 . . . . . . . . 5401 1 664 . 1 1 51 51 SER CA C 13 57.74 0.05 . 1 . . . . . . . . 5401 1 665 . 1 1 51 51 SER HA H 1 4.21 0.02 . 1 . . . . . . . . 5401 1 666 . 1 1 51 51 SER CB C 13 65.67 0.05 . 1 . . . . . . . . 5401 1 667 . 1 1 51 51 SER HB2 H 1 4.39 0.02 . 1 . . . . . . . . 5401 1 668 . 1 1 51 51 SER HB3 H 1 4.39 0.02 . 1 . . . . . . . . 5401 1 669 . 1 1 51 51 SER C C 13 175.47 0.05 . 1 . . . . . . . . 5401 1 670 . 1 1 52 52 GLY N N 15 108.77 0.05 . 1 . . . . . . . . 5401 1 671 . 1 1 52 52 GLY H H 1 8.61 0.02 . 1 . . . . . . . . 5401 1 672 . 1 1 52 52 GLY CA C 13 47.93 0.05 . 1 . . . . . . . . 5401 1 673 . 1 1 52 52 GLY HA2 H 1 4.52 0.02 . 2 . . . . . . . . 5401 1 674 . 1 1 52 52 GLY HA3 H 1 3.57 0.02 . 2 . . . . . . . . 5401 1 675 . 1 1 52 52 GLY C C 13 175.89 0.05 . 1 . . . . . . . . 5401 1 676 . 1 1 53 53 ARG N N 15 121.87 0.05 . 1 . . . . . . . . 5401 1 677 . 1 1 53 53 ARG H H 1 8.19 0.02 . 1 . . . . . . . . 5401 1 678 . 1 1 53 53 ARG CA C 13 59.62 0.05 . 1 . . . . . . . . 5401 1 679 . 1 1 53 53 ARG HA H 1 3.85 0.02 . 1 . . . . . . . . 5401 1 680 . 1 1 53 53 ARG CB C 13 29.8 0.05 . 1 . . . . . . . . 5401 1 681 . 1 1 53 53 ARG HB2 H 1 1.92 0.02 . 2 . . . . . . . . 5401 1 682 . 1 1 53 53 ARG HB3 H 1 1.77 0.02 . 2 . . . . . . . . 5401 1 683 . 1 1 53 53 ARG CG C 13 26.96 0.05 . 1 . . . . . . . . 5401 1 684 . 1 1 53 53 ARG HG2 H 1 1.59 0.02 . 1 . . . . . . . . 5401 1 685 . 1 1 53 53 ARG HG3 H 1 1.59 0.02 . 1 . . . . . . . . 5401 1 686 . 1 1 53 53 ARG CD C 13 43.06 0.05 . 1 . . . . . . . . 5401 1 687 . 1 1 53 53 ARG HD2 H 1 3.52 0.02 . 2 . . . . . . . . 5401 1 688 . 1 1 53 53 ARG HD3 H 1 3.18 0.02 . 2 . . . . . . . . 5401 1 689 . 1 1 53 53 ARG C C 13 178.91 0.05 . 1 . . . . . . . . 5401 1 690 . 1 1 54 54 GLU N N 15 120.23 0.05 . 1 . . . . . . . . 5401 1 691 . 1 1 54 54 GLU H H 1 7.47 0.02 . 1 . . . . . . . . 5401 1 692 . 1 1 54 54 GLU CA C 13 59.28 0.05 . 1 . . . . . . . . 5401 1 693 . 1 1 54 54 GLU HA H 1 3.94 0.02 . 1 . . . . . . . . 5401 1 694 . 1 1 54 54 GLU CB C 13 29.97 0.05 . 1 . . . . . . . . 5401 1 695 . 1 1 54 54 GLU HB2 H 1 2.27 0.02 . 2 . . . . . . . . 5401 1 696 . 1 1 54 54 GLU HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5401 1 697 . 1 1 54 54 GLU HG2 H 1 2.26 0.02 . 1 . . . . . . . . 5401 1 698 . 1 1 54 54 GLU HG3 H 1 2.26 0.02 . 1 . . . . . . . . 5401 1 699 . 1 1 54 54 GLU CG C 13 37.12 0.05 . 1 . . . . . . . . 5401 1 700 . 1 1 54 54 GLU C C 13 179.76 0.05 . 1 . . . . . . . . 5401 1 701 . 1 1 55 55 LEU N N 15 122.69 0.05 . 1 . . . . . . . . 5401 1 702 . 1 1 55 55 LEU H H 1 8.86 0.02 . 1 . . . . . . . . 5401 1 703 . 1 1 55 55 LEU CA C 13 58.54 0.05 . 1 . . . . . . . . 5401 1 704 . 1 1 55 55 LEU HA H 1 3.98 0.02 . 1 . . . . . . . . 5401 1 705 . 1 1 55 55 LEU CB C 13 42.94 0.05 . 1 . . . . . . . . 5401 1 706 . 1 1 55 55 LEU HB2 H 1 2.2 0.02 . 2 . . . . . . . . 5401 1 707 . 1 1 55 55 LEU HB3 H 1 1.58 0.02 . 2 . . . . . . . . 5401 1 708 . 1 1 55 55 LEU CG C 13 27.11 0.05 . 1 . . . . . . . . 5401 1 709 . 1 1 55 55 LEU HG H 1 1.01 0.02 . 1 . . . . . . . . 5401 1 710 . 1 1 55 55 LEU CD1 C 13 23.43 0.05 . 1 . . . . . . . . 5401 1 711 . 1 1 55 55 LEU HD11 H 1 1.22 0.02 . 1 . . . . . . . . 5401 1 712 . 1 1 55 55 LEU HD12 H 1 1.22 0.02 . 1 . . . . . . . . 5401 1 713 . 1 1 55 55 LEU HD13 H 1 1.22 0.02 . 1 . . . . . . . . 5401 1 714 . 1 1 55 55 LEU CD2 C 13 23 0.05 . 1 . . . . . . . . 5401 1 715 . 1 1 55 55 LEU HD21 H 1 0.85 0.02 . 1 . . . . . . . . 5401 1 716 . 1 1 55 55 LEU HD22 H 1 0.85 0.02 . 1 . . . . . . . . 5401 1 717 . 1 1 55 55 LEU HD23 H 1 0.85 0.02 . 1 . . . . . . . . 5401 1 718 . 1 1 55 55 LEU C C 13 178.61 0.05 . 1 . . . . . . . . 5401 1 719 . 1 1 56 56 CYS N N 15 112.37 0.05 . 1 . . . . . . . . 5401 1 720 . 1 1 56 56 CYS H H 1 8.12 0.02 . 1 . . . . . . . . 5401 1 721 . 1 1 56 56 CYS CA C 13 62.74 0.05 . 1 . . . . . . . . 5401 1 722 . 1 1 56 56 CYS HA H 1 4.04 0.02 . 1 . . . . . . . . 5401 1 723 . 1 1 56 56 CYS CB C 13 27.81 0.05 . 1 . . . . . . . . 5401 1 724 . 1 1 56 56 CYS HB2 H 1 2.68 0.02 . 2 . . . . . . . . 5401 1 725 . 1 1 56 56 CYS HB3 H 1 2.78 0.02 . 2 . . . . . . . . 5401 1 726 . 1 1 56 56 CYS C C 13 174.08 0.05 . 1 . . . . . . . . 5401 1 727 . 1 1 57 57 SER N N 15 114.49 0.05 . 1 . . . . . . . . 5401 1 728 . 1 1 57 57 SER H H 1 7.5 0.02 . 1 . . . . . . . . 5401 1 729 . 1 1 57 57 SER CA C 13 58.94 0.05 . 1 . . . . . . . . 5401 1 730 . 1 1 57 57 SER HA H 1 4.48 0.02 . 1 . . . . . . . . 5401 1 731 . 1 1 57 57 SER CB C 13 63.97 0.05 . 1 . . . . . . . . 5401 1 732 . 1 1 57 57 SER HB2 H 1 4 0.02 . 2 . . . . . . . . 5401 1 733 . 1 1 57 57 SER HB3 H 1 4.16 0.02 . 2 . . . . . . . . 5401 1 734 . 1 1 57 57 SER C C 13 174.07 0.05 . 1 . . . . . . . . 5401 1 735 . 1 1 58 58 LEU N N 15 121.87 0.05 . 1 . . . . . . . . 5401 1 736 . 1 1 58 58 LEU H H 1 7.08 0.02 . 1 . . . . . . . . 5401 1 737 . 1 1 58 58 LEU CA C 13 54.92 0.05 . 1 . . . . . . . . 5401 1 738 . 1 1 58 58 LEU HA H 1 4.56 0.02 . 1 . . . . . . . . 5401 1 739 . 1 1 58 58 LEU CB C 13 42.68 0.05 . 1 . . . . . . . . 5401 1 740 . 1 1 58 58 LEU HB2 H 1 2.21 0.02 . 2 . . . . . . . . 5401 1 741 . 1 1 58 58 LEU HB3 H 1 1.59 0.02 . 2 . . . . . . . . 5401 1 742 . 1 1 58 58 LEU CG C 13 26.52 0.05 . 1 . . . . . . . . 5401 1 743 . 1 1 58 58 LEU HG H 1 0.98 0.02 . 1 . . . . . . . . 5401 1 744 . 1 1 58 58 LEU CD2 C 13 22.85 0.05 . 1 . . . . . . . . 5401 1 745 . 1 1 58 58 LEU HD21 H 1 0.86 0.02 . 1 . . . . . . . . 5401 1 746 . 1 1 58 58 LEU HD22 H 1 0.86 0.02 . 1 . . . . . . . . 5401 1 747 . 1 1 58 58 LEU HD23 H 1 0.86 0.02 . 1 . . . . . . . . 5401 1 748 . 1 1 58 58 LEU C C 13 177.54 0.05 . 1 . . . . . . . . 5401 1 749 . 1 1 59 59 ASN N N 15 121.45 0.05 . 1 . . . . . . . . 5401 1 750 . 1 1 59 59 ASN H H 1 8.93 0.02 . 1 . . . . . . . . 5401 1 751 . 1 1 59 59 ASN CA C 13 51.42 0.05 . 1 . . . . . . . . 5401 1 752 . 1 1 59 59 ASN HA H 1 4.91 0.02 . 1 . . . . . . . . 5401 1 753 . 1 1 59 59 ASN CB C 13 38.56 0.05 . 1 . . . . . . . . 5401 1 754 . 1 1 59 59 ASN HB2 H 1 2.95 0.02 . 2 . . . . . . . . 5401 1 755 . 1 1 59 59 ASN HB3 H 1 3.17 0.02 . 2 . . . . . . . . 5401 1 756 . 1 1 59 59 ASN CG C 13 175.4 0.05 . 1 . . . . . . . . 5401 1 757 . 1 1 59 59 ASN ND2 N 15 110.97 0.05 . 1 . . . . . . . . 5401 1 758 . 1 1 59 59 ASN HD21 H 1 7.41 0.02 . 1 . . . . . . . . 5401 1 759 . 1 1 59 59 ASN HD22 H 1 6.82 0.02 . 1 . . . . . . . . 5401 1 760 . 1 1 59 59 ASN C C 13 174.86 0.05 . 1 . . . . . . . . 5401 1 761 . 1 1 60 60 GLN N N 15 119.82 0.05 . 1 . . . . . . . . 5401 1 762 . 1 1 60 60 GLN H H 1 8.46 0.02 . 1 . . . . . . . . 5401 1 763 . 1 1 60 60 GLN CA C 13 59.81 0.05 . 1 . . . . . . . . 5401 1 764 . 1 1 60 60 GLN HA H 1 2.25 0.02 . 1 . . . . . . . . 5401 1 765 . 1 1 60 60 GLN CB C 13 28.7 0.05 . 1 . . . . . . . . 5401 1 766 . 1 1 60 60 GLN HB2 H 1 1.51 0.02 . 2 . . . . . . . . 5401 1 767 . 1 1 60 60 GLN HB3 H 1 2.25 0.02 . 2 . . . . . . . . 5401 1 768 . 1 1 60 60 GLN CG C 13 33.49 0.05 . 1 . . . . . . . . 5401 1 769 . 1 1 60 60 GLN HG2 H 1 1.37 0.02 . 2 . . . . . . . . 5401 1 770 . 1 1 60 60 GLN HG3 H 1 0.74 0.02 . 2 . . . . . . . . 5401 1 771 . 1 1 60 60 GLN CD C 13 179.61 0.05 . 1 . . . . . . . . 5401 1 772 . 1 1 60 60 GLN NE2 N 15 110.41 0.05 . 1 . . . . . . . . 5401 1 773 . 1 1 60 60 GLN HE21 H 1 6.27 0.02 . 1 . . . . . . . . 5401 1 774 . 1 1 60 60 GLN HE22 H 1 6.73 0.02 . 1 . . . . . . . . 5401 1 775 . 1 1 60 60 GLN C C 13 176.85 0.05 . 1 . . . . . . . . 5401 1 776 . 1 1 61 61 GLU N N 15 117.36 0.05 . 1 . . . . . . . . 5401 1 777 . 1 1 61 61 GLU H H 1 8.19 0.02 . 1 . . . . . . . . 5401 1 778 . 1 1 61 61 GLU CA C 13 59.8 0.05 . 1 . . . . . . . . 5401 1 779 . 1 1 61 61 GLU HA H 1 3.84 0.02 . 1 . . . . . . . . 5401 1 780 . 1 1 61 61 GLU CB C 13 28.84 0.05 . 1 . . . . . . . . 5401 1 781 . 1 1 61 61 GLU HB2 H 1 1.95 0.02 . 2 . . . . . . . . 5401 1 782 . 1 1 61 61 GLU HB3 H 1 2.22 0.02 . 2 . . . . . . . . 5401 1 783 . 1 1 61 61 GLU CG C 13 36.61 0.05 . 1 . . . . . . . . 5401 1 784 . 1 1 61 61 GLU HG2 H 1 2.26 0.02 . 1 . . . . . . . . 5401 1 785 . 1 1 61 61 GLU HG3 H 1 2.26 0.02 . 1 . . . . . . . . 5401 1 786 . 1 1 61 61 GLU C C 13 179.45 0.05 . 1 . . . . . . . . 5401 1 787 . 1 1 62 62 ASP N N 15 120.23 0.05 . 1 . . . . . . . . 5401 1 788 . 1 1 62 62 ASP H H 1 8.31 0.02 . 1 . . . . . . . . 5401 1 789 . 1 1 62 62 ASP CA C 13 56.82 0.05 . 1 . . . . . . . . 5401 1 790 . 1 1 62 62 ASP HA H 1 4.38 0.02 . 1 . . . . . . . . 5401 1 791 . 1 1 62 62 ASP CB C 13 41.1 0.05 . 1 . . . . . . . . 5401 1 792 . 1 1 62 62 ASP HB2 H 1 2.67 0.02 . 2 . . . . . . . . 5401 1 793 . 1 1 62 62 ASP HB3 H 1 2.8 0.02 . 2 . . . . . . . . 5401 1 794 . 1 1 62 62 ASP C C 13 179.33 0.05 . 1 . . . . . . . . 5401 1 795 . 1 1 63 63 PHE N N 15 122.6 0.05 . 1 . . . . . . . . 5401 1 796 . 1 1 63 63 PHE H H 1 8.72 0.02 . 1 . . . . . . . . 5401 1 797 . 1 1 63 63 PHE CA C 13 62.78 0.05 . 1 . . . . . . . . 5401 1 798 . 1 1 63 63 PHE HA H 1 3.89 0.02 . 1 . . . . . . . . 5401 1 799 . 1 1 63 63 PHE CB C 13 39.58 0.05 . 1 . . . . . . . . 5401 1 800 . 1 1 63 63 PHE HB2 H 1 2.94 0.02 . 2 . . . . . . . . 5401 1 801 . 1 1 63 63 PHE HB3 H 1 2.84 0.02 . 2 . . . . . . . . 5401 1 802 . 1 1 63 63 PHE CD1 C 13 132.25 0.05 . 1 . . . . . . . . 5401 1 803 . 1 1 63 63 PHE CD2 C 13 132.25 0.05 . 1 . . . . . . . . 5401 1 804 . 1 1 63 63 PHE HD1 H 1 6.95 0.02 . 1 . . . . . . . . 5401 1 805 . 1 1 63 63 PHE HD2 H 1 6.95 0.02 . 1 . . . . . . . . 5401 1 806 . 1 1 63 63 PHE CE1 C 13 131.3 0.05 . 1 . . . . . . . . 5401 1 807 . 1 1 63 63 PHE CE2 C 13 131.3 0.05 . 1 . . . . . . . . 5401 1 808 . 1 1 63 63 PHE HE1 H 1 7.4 0.02 . 1 . . . . . . . . 5401 1 809 . 1 1 63 63 PHE HE2 H 1 7.4 0.02 . 1 . . . . . . . . 5401 1 810 . 1 1 63 63 PHE CZ C 13 128.38 0.05 . 1 . . . . . . . . 5401 1 811 . 1 1 63 63 PHE HZ H 1 7.32 0.02 . 1 . . . . . . . . 5401 1 812 . 1 1 63 63 PHE C C 13 177.16 0.05 . 1 . . . . . . . . 5401 1 813 . 1 1 64 64 PHE N N 15 116.54 0.05 . 1 . . . . . . . . 5401 1 814 . 1 1 64 64 PHE H H 1 8.35 0.02 . 1 . . . . . . . . 5401 1 815 . 1 1 64 64 PHE CA C 13 59.11 0.05 . 1 . . . . . . . . 5401 1 816 . 1 1 64 64 PHE HA H 1 4.39 0.02 . 1 . . . . . . . . 5401 1 817 . 1 1 64 64 PHE CB C 13 37.8 0.05 . 1 . . . . . . . . 5401 1 818 . 1 1 64 64 PHE HB2 H 1 3.04 0.02 . 2 . . . . . . . . 5401 1 819 . 1 1 64 64 PHE HB3 H 1 3.21 0.02 . 2 . . . . . . . . 5401 1 820 . 1 1 64 64 PHE CD1 C 13 130.8 0.05 . 1 . . . . . . . . 5401 1 821 . 1 1 64 64 PHE CD2 C 13 130.8 0.05 . 1 . . . . . . . . 5401 1 822 . 1 1 64 64 PHE HD1 H 1 7.41 0.02 . 1 . . . . . . . . 5401 1 823 . 1 1 64 64 PHE HD2 H 1 7.41 0.02 . 1 . . . . . . . . 5401 1 824 . 1 1 64 64 PHE CE1 C 13 130.4 0.05 . 1 . . . . . . . . 5401 1 825 . 1 1 64 64 PHE CE2 C 13 130.4 0.05 . 1 . . . . . . . . 5401 1 826 . 1 1 64 64 PHE HE1 H 1 7.04 0.02 . 1 . . . . . . . . 5401 1 827 . 1 1 64 64 PHE HE2 H 1 7.04 0.02 . 1 . . . . . . . . 5401 1 828 . 1 1 64 64 PHE CZ C 13 128.75 0.05 . 1 . . . . . . . . 5401 1 829 . 1 1 64 64 PHE HZ H 1 7.17 0.02 . 1 . . . . . . . . 5401 1 830 . 1 1 64 64 PHE C C 13 177.86 0.05 . 1 . . . . . . . . 5401 1 831 . 1 1 65 65 GLN N N 15 117.77 0.05 . 1 . . . . . . . . 5401 1 832 . 1 1 65 65 GLN H H 1 7.63 0.02 . 1 . . . . . . . . 5401 1 833 . 1 1 65 65 GLN CA C 13 58.25 0.05 . 1 . . . . . . . . 5401 1 834 . 1 1 65 65 GLN HA H 1 4.11 0.02 . 1 . . . . . . . . 5401 1 835 . 1 1 65 65 GLN CB C 13 28.78 0.05 . 1 . . . . . . . . 5401 1 836 . 1 1 65 65 GLN HB2 H 1 2.22 0.02 . 1 . . . . . . . . 5401 1 837 . 1 1 65 65 GLN HB3 H 1 2.22 0.02 . 1 . . . . . . . . 5401 1 838 . 1 1 65 65 GLN CG C 13 34.07 0.05 . 1 . . . . . . . . 5401 1 839 . 1 1 65 65 GLN HG2 H 1 2.44 0.02 . 2 . . . . . . . . 5401 1 840 . 1 1 65 65 GLN HG3 H 1 2.56 0.02 . 2 . . . . . . . . 5401 1 841 . 1 1 65 65 GLN CD C 13 180.25 0.05 . 1 . . . . . . . . 5401 1 842 . 1 1 65 65 GLN NE2 N 15 111.66 0.05 . 1 . . . . . . . . 5401 1 843 . 1 1 65 65 GLN HE21 H 1 7.46 0.02 . 1 . . . . . . . . 5401 1 844 . 1 1 65 65 GLN HE22 H 1 6.78 0.02 . 1 . . . . . . . . 5401 1 845 . 1 1 65 65 GLN C C 13 177.61 0.05 . 1 . . . . . . . . 5401 1 846 . 1 1 66 66 ARG N N 15 117.77 0.05 . 1 . . . . . . . . 5401 1 847 . 1 1 66 66 ARG H H 1 7.34 0.02 . 1 . . . . . . . . 5401 1 848 . 1 1 66 66 ARG CA C 13 57.96 0.05 . 1 . . . . . . . . 5401 1 849 . 1 1 66 66 ARG HA H 1 4.14 0.02 . 1 . . . . . . . . 5401 1 850 . 1 1 66 66 ARG CB C 13 31.16 0.05 . 1 . . . . . . . . 5401 1 851 . 1 1 66 66 ARG HB2 H 1 2.15 0.02 . 2 . . . . . . . . 5401 1 852 . 1 1 66 66 ARG HB3 H 1 1.75 0.02 . 2 . . . . . . . . 5401 1 853 . 1 1 66 66 ARG CG C 13 28.03 0.05 . 1 . . . . . . . . 5401 1 854 . 1 1 66 66 ARG HG2 H 1 1.65 0.02 . 1 . . . . . . . . 5401 1 855 . 1 1 66 66 ARG HG3 H 1 1.65 0.02 . 1 . . . . . . . . 5401 1 856 . 1 1 66 66 ARG CD C 13 43.17 0.05 . 1 . . . . . . . . 5401 1 857 . 1 1 66 66 ARG HD2 H 1 3.08 0.02 . 1 . . . . . . . . 5401 1 858 . 1 1 66 66 ARG HD3 H 1 3.08 0.02 . 1 . . . . . . . . 5401 1 859 . 1 1 66 66 ARG C C 13 176.4 0.05 . 1 . . . . . . . . 5401 1 860 . 1 1 67 67 VAL N N 15 118.6 0.05 . 1 . . . . . . . . 5401 1 861 . 1 1 67 67 VAL H H 1 8.18 0.02 . 1 . . . . . . . . 5401 1 862 . 1 1 67 67 VAL CA C 13 65.71 0.05 . 1 . . . . . . . . 5401 1 863 . 1 1 67 67 VAL HA H 1 4.23 0.02 . 1 . . . . . . . . 5401 1 864 . 1 1 67 67 VAL CB C 13 31.3 0.05 . 1 . . . . . . . . 5401 1 865 . 1 1 67 67 VAL HB H 1 1.67 0.02 . 1 . . . . . . . . 5401 1 866 . 1 1 67 67 VAL CG1 C 13 19.74 0.05 . 1 . . . . . . . . 5401 1 867 . 1 1 67 67 VAL HG11 H 1 0.34 0.02 . 1 . . . . . . . . 5401 1 868 . 1 1 67 67 VAL HG12 H 1 0.34 0.02 . 1 . . . . . . . . 5401 1 869 . 1 1 67 67 VAL HG13 H 1 0.34 0.02 . 1 . . . . . . . . 5401 1 870 . 1 1 67 67 VAL CG2 C 13 22.33 0.05 . 1 . . . . . . . . 5401 1 871 . 1 1 67 67 VAL HG21 H 1 0.69 0.02 . 1 . . . . . . . . 5401 1 872 . 1 1 67 67 VAL HG22 H 1 0.69 0.02 . 1 . . . . . . . . 5401 1 873 . 1 1 67 67 VAL HG23 H 1 0.69 0.02 . 1 . . . . . . . . 5401 1 874 . 1 1 68 68 PRO CA C 13 64.52 0.05 . 1 . . . . . . . . 5401 1 875 . 1 1 68 68 PRO HA H 1 4.62 0.02 . 1 . . . . . . . . 5401 1 876 . 1 1 68 68 PRO CB C 13 31.97 0.05 . 1 . . . . . . . . 5401 1 877 . 1 1 68 68 PRO HB2 H 1 2.37 0.02 . 2 . . . . . . . . 5401 1 878 . 1 1 68 68 PRO HB3 H 1 1.84 0.02 . 2 . . . . . . . . 5401 1 879 . 1 1 68 68 PRO CG C 13 27.46 0.05 . 1 . . . . . . . . 5401 1 880 . 1 1 68 68 PRO HG2 H 1 2.02 0.02 . 1 . . . . . . . . 5401 1 881 . 1 1 68 68 PRO HG3 H 1 2.02 0.02 . 1 . . . . . . . . 5401 1 882 . 1 1 68 68 PRO CD C 13 49.97 0.05 . 1 . . . . . . . . 5401 1 883 . 1 1 68 68 PRO HD2 H 1 3.38 0.02 . 2 . . . . . . . . 5401 1 884 . 1 1 68 68 PRO HD3 H 1 3.58 0.02 . 2 . . . . . . . . 5401 1 885 . 1 1 68 68 PRO C C 13 178.22 0.05 . 1 . . . . . . . . 5401 1 886 . 1 1 69 69 ARG N N 15 115.31 0.05 . 1 . . . . . . . . 5401 1 887 . 1 1 69 69 ARG H H 1 8.47 0.02 . 1 . . . . . . . . 5401 1 888 . 1 1 69 69 ARG CA C 13 55.28 0.05 . 1 . . . . . . . . 5401 1 889 . 1 1 69 69 ARG HA H 1 4.58 0.02 . 1 . . . . . . . . 5401 1 890 . 1 1 69 69 ARG CB C 13 27.15 0.05 . 1 . . . . . . . . 5401 1 891 . 1 1 69 69 ARG HB3 H 1 1.8 0.02 . 1 . . . . . . . . 5401 1 892 . 1 1 69 69 ARG HB2 H 1 2.14 0.02 . 1 . . . . . . . . 5401 1 893 . 1 1 69 69 ARG CG C 13 27.1 0.05 . 1 . . . . . . . . 5401 1 894 . 1 1 69 69 ARG HG2 H 1 1.64 0.02 . 1 . . . . . . . . 5401 1 895 . 1 1 69 69 ARG HG3 H 1 1.64 0.02 . 1 . . . . . . . . 5401 1 896 . 1 1 69 69 ARG CD C 13 43.09 0.05 . 1 . . . . . . . . 5401 1 897 . 1 1 69 69 ARG HD2 H 1 3.26 0.02 . 2 . . . . . . . . 5401 1 898 . 1 1 69 69 ARG HD3 H 1 2 0.02 . 2 . . . . . . . . 5401 1 899 . 1 1 69 69 ARG C C 13 177.96 0.05 . 1 . . . . . . . . 5401 1 900 . 1 1 70 70 GLY N N 15 127.62 0.05 . 1 . . . . . . . . 5401 1 901 . 1 1 70 70 GLY H H 1 7.95 0.02 . 1 . . . . . . . . 5401 1 902 . 1 1 70 70 GLY CA C 13 47.17 0.05 . 1 . . . . . . . . 5401 1 903 . 1 1 70 70 GLY HA2 H 1 4.12 0.02 . 2 . . . . . . . . 5401 1 904 . 1 1 70 70 GLY HA3 H 1 3.66 0.02 . 2 . . . . . . . . 5401 1 905 . 1 1 70 70 GLY C C 13 174.85 0.05 . 1 . . . . . . . . 5401 1 906 . 1 1 71 71 GLU N N 15 124.7 0.05 . 1 . . . . . . . . 5401 1 907 . 1 1 71 71 GLU H H 1 9.49 0.02 . 1 . . . . . . . . 5401 1 908 . 1 1 71 71 GLU CA C 13 61.79 0.05 . 1 . . . . . . . . 5401 1 909 . 1 1 71 71 GLU HA H 1 4.22 0.02 . 1 . . . . . . . . 5401 1 910 . 1 1 71 71 GLU CB C 13 28.79 0.05 . 1 . . . . . . . . 5401 1 911 . 1 1 71 71 GLU HB3 H 1 2.1 0.02 . 1 . . . . . . . . 5401 1 912 . 1 1 71 71 GLU HB2 H 1 2.18 0.02 . 1 . . . . . . . . 5401 1 913 . 1 1 71 71 GLU CG C 13 36.36 0.05 . 1 . . . . . . . . 5401 1 914 . 1 1 71 71 GLU HG2 H 1 2.39 0.02 . 1 . . . . . . . . 5401 1 915 . 1 1 71 71 GLU HG3 H 1 2.39 0.02 . 1 . . . . . . . . 5401 1 916 . 1 1 71 71 GLU C C 13 178.72 0.05 . 1 . . . . . . . . 5401 1 917 . 1 1 72 72 ILE N N 15 119.41 0.05 . 1 . . . . . . . . 5401 1 918 . 1 1 72 72 ILE H H 1 8.88 0.02 . 1 . . . . . . . . 5401 1 919 . 1 1 72 72 ILE CA C 13 64.2 0.05 . 1 . . . . . . . . 5401 1 920 . 1 1 72 72 ILE HA H 1 3.8 0.02 . 1 . . . . . . . . 5401 1 921 . 1 1 72 72 ILE CB C 13 37.55 0.05 . 1 . . . . . . . . 5401 1 922 . 1 1 72 72 ILE HB H 1 1.66 0.02 . 1 . . . . . . . . 5401 1 923 . 1 1 72 72 ILE CG1 C 13 29.06 0.05 . 1 . . . . . . . . 5401 1 924 . 1 1 72 72 ILE HG12 H 1 1.48 0.02 . 2 . . . . . . . . 5401 1 925 . 1 1 72 72 ILE HG13 H 1 0.98 0.02 . 2 . . . . . . . . 5401 1 926 . 1 1 72 72 ILE CD1 C 13 17.2 0.05 . 1 . . . . . . . . 5401 1 927 . 1 1 72 72 ILE HD11 H 1 0.33 0.02 . 1 . . . . . . . . 5401 1 928 . 1 1 72 72 ILE HD12 H 1 0.33 0.02 . 1 . . . . . . . . 5401 1 929 . 1 1 72 72 ILE HD13 H 1 0.33 0.02 . 1 . . . . . . . . 5401 1 930 . 1 1 72 72 ILE CG2 C 13 12.9 0.05 . 1 . . . . . . . . 5401 1 931 . 1 1 72 72 ILE HG21 H 1 0.75 0.02 . 1 . . . . . . . . 5401 1 932 . 1 1 72 72 ILE HG22 H 1 0.75 0.02 . 1 . . . . . . . . 5401 1 933 . 1 1 72 72 ILE HG23 H 1 0.75 0.02 . 1 . . . . . . . . 5401 1 934 . 1 1 72 72 ILE C C 13 178.35 0.05 . 1 . . . . . . . . 5401 1 935 . 1 1 73 73 LEU N N 15 119.41 0.05 . 1 . . . . . . . . 5401 1 936 . 1 1 73 73 LEU H H 1 7.08 0.02 . 1 . . . . . . . . 5401 1 937 . 1 1 73 73 LEU CA C 13 58.33 0.05 . 1 . . . . . . . . 5401 1 938 . 1 1 73 73 LEU HA H 1 4.1 0.02 . 1 . . . . . . . . 5401 1 939 . 1 1 73 73 LEU CB C 13 42.31 0.05 . 1 . . . . . . . . 5401 1 940 . 1 1 73 73 LEU HB3 H 1 1.99 0.02 . 1 . . . . . . . . 5401 1 941 . 1 1 73 73 LEU HB2 H 1 2.17 0.02 . 1 . . . . . . . . 5401 1 942 . 1 1 73 73 LEU CG C 13 28.03 0.05 . 1 . . . . . . . . 5401 1 943 . 1 1 73 73 LEU HG H 1 1.5 0.02 . 1 . . . . . . . . 5401 1 944 . 1 1 73 73 LEU CD1 C 13 26.54 0.05 . 1 . . . . . . . . 5401 1 945 . 1 1 73 73 LEU HD11 H 1 0.79 0.02 . 1 . . . . . . . . 5401 1 946 . 1 1 73 73 LEU HD12 H 1 0.79 0.02 . 1 . . . . . . . . 5401 1 947 . 1 1 73 73 LEU HD13 H 1 0.79 0.02 . 1 . . . . . . . . 5401 1 948 . 1 1 73 73 LEU CD2 C 13 24.02 0.05 . 1 . . . . . . . . 5401 1 949 . 1 1 73 73 LEU HD21 H 1 0.38 0.02 . 1 . . . . . . . . 5401 1 950 . 1 1 73 73 LEU HD22 H 1 0.38 0.02 . 1 . . . . . . . . 5401 1 951 . 1 1 73 73 LEU HD23 H 1 0.38 0.02 . 1 . . . . . . . . 5401 1 952 . 1 1 73 73 LEU C C 13 177.81 0.05 . 1 . . . . . . . . 5401 1 953 . 1 1 74 74 TRP N N 15 119.4 0.05 . 1 . . . . . . . . 5401 1 954 . 1 1 74 74 TRP H H 1 8.46 0.02 . 1 . . . . . . . . 5401 1 955 . 1 1 74 74 TRP CA C 13 60.26 0.05 . 1 . . . . . . . . 5401 1 956 . 1 1 74 74 TRP HA H 1 3.77 0.02 . 1 . . . . . . . . 5401 1 957 . 1 1 74 74 TRP CB C 13 30 0.05 . 1 . . . . . . . . 5401 1 958 . 1 1 74 74 TRP HB2 H 1 3.11 0.02 . 2 . . . . . . . . 5401 1 959 . 1 1 74 74 TRP HB3 H 1 3.33 0.02 . 2 . . . . . . . . 5401 1 960 . 1 1 74 74 TRP CD1 C 13 126.88 0.05 . 1 . . . . . . . . 5401 1 961 . 1 1 74 74 TRP HD1 H 1 7.22 0.02 . 1 . . . . . . . . 5401 1 962 . 1 1 74 74 TRP NE1 N 15 128.88 0.05 . 1 . . . . . . . . 5401 1 963 . 1 1 74 74 TRP HE1 H 1 9.98 0.02 . 1 . . . . . . . . 5401 1 964 . 1 1 74 74 TRP CE3 C 13 119.75 0.05 . 1 . . . . . . . . 5401 1 965 . 1 1 74 74 TRP HE3 H 1 5.99 0.02 . 1 . . . . . . . . 5401 1 966 . 1 1 74 74 TRP CZ2 C 13 113.99 0.05 . 1 . . . . . . . . 5401 1 967 . 1 1 74 74 TRP HZ2 H 1 7.37 0.02 . 1 . . . . . . . . 5401 1 968 . 1 1 74 74 TRP CZ3 C 13 122 0.05 . 1 . . . . . . . . 5401 1 969 . 1 1 74 74 TRP HZ3 H 1 6.71 0.02 . 1 . . . . . . . . 5401 1 970 . 1 1 74 74 TRP CH2 C 13 124.37 0.05 . 1 . . . . . . . . 5401 1 971 . 1 1 74 74 TRP HH2 H 1 7.08 0.02 . 1 . . . . . . . . 5401 1 972 . 1 1 74 74 TRP C C 13 177.59 0.05 . 1 . . . . . . . . 5401 1 973 . 1 1 75 75 SER N N 15 112.04 0.05 . 1 . . . . . . . . 5401 1 974 . 1 1 75 75 SER H H 1 8.25 0.02 . 1 . . . . . . . . 5401 1 975 . 1 1 75 75 SER CA C 13 61.63 0.05 . 1 . . . . . . . . 5401 1 976 . 1 1 75 75 SER HA H 1 4.09 0.02 . 1 . . . . . . . . 5401 1 977 . 1 1 75 75 SER CB C 13 62.66 0.05 . 1 . . . . . . . . 5401 1 978 . 1 1 75 75 SER C C 13 176.68 0.05 . 1 . . . . . . . . 5401 1 979 . 1 1 76 76 HIS N N 15 123.5 0.05 . 1 . . . . . . . . 5401 1 980 . 1 1 76 76 HIS H H 1 8.17 0.02 . 1 . . . . . . . . 5401 1 981 . 1 1 76 76 HIS CA C 13 61.77 0.05 . 1 . . . . . . . . 5401 1 982 . 1 1 76 76 HIS HA H 1 4.34 0.02 . 1 . . . . . . . . 5401 1 983 . 1 1 76 76 HIS CB C 13 32.17 0.05 . 1 . . . . . . . . 5401 1 984 . 1 1 76 76 HIS HB3 H 1 3.37 0.02 . 1 . . . . . . . . 5401 1 985 . 1 1 76 76 HIS HB2 H 1 3.54 0.02 . 1 . . . . . . . . 5401 1 986 . 1 1 76 76 HIS ND1 N 15 256.08 0.05 . 1 . . . . . . . . 5401 1 987 . 1 1 76 76 HIS CD2 C 13 116.8 0.05 . 1 . . . . . . . . 5401 1 988 . 1 1 76 76 HIS HD2 H 1 7.3 0.02 . 1 . . . . . . . . 5401 1 989 . 1 1 76 76 HIS CE1 C 13 135.8 0.05 . 1 . . . . . . . . 5401 1 990 . 1 1 76 76 HIS HE1 H 1 7.29 0.02 . 1 . . . . . . . . 5401 1 991 . 1 1 76 76 HIS NE2 N 15 165.88 0.05 . 1 . . . . . . . . 5401 1 992 . 1 1 76 76 HIS HE2 H 1 13.12 0.02 . 1 . . . . . . . . 5401 1 993 . 1 1 76 76 HIS C C 13 176.93 0.05 . 1 . . . . . . . . 5401 1 994 . 1 1 77 77 LEU N N 15 120.64 0.05 . 1 . . . . . . . . 5401 1 995 . 1 1 77 77 LEU H H 1 8.62 0.02 . 1 . . . . . . . . 5401 1 996 . 1 1 77 77 LEU CA C 13 57.78 0.05 . 1 . . . . . . . . 5401 1 997 . 1 1 77 77 LEU HA H 1 3.69 0.02 . 1 . . . . . . . . 5401 1 998 . 1 1 77 77 LEU CB C 13 40.76 0.05 . 1 . . . . . . . . 5401 1 999 . 1 1 77 77 LEU HB2 H 1 1.69 0.02 . 2 . . . . . . . . 5401 1 1000 . 1 1 77 77 LEU HB3 H 1 1.58 0.02 . 2 . . . . . . . . 5401 1 1001 . 1 1 77 77 LEU HG H 1 0.99 0.02 . 1 . . . . . . . . 5401 1 1002 . 1 1 77 77 LEU CD1 C 13 21.52 0.05 . 1 . . . . . . . . 5401 1 1003 . 1 1 77 77 LEU HD11 H 1 0.04 0.02 . 1 . . . . . . . . 5401 1 1004 . 1 1 77 77 LEU HD12 H 1 0.04 0.02 . 1 . . . . . . . . 5401 1 1005 . 1 1 77 77 LEU HD13 H 1 0.04 0.02 . 1 . . . . . . . . 5401 1 1006 . 1 1 77 77 LEU CD2 C 13 25.72 0.05 . 1 . . . . . . . . 5401 1 1007 . 1 1 77 77 LEU HD21 H 1 0.46 0.02 . 1 . . . . . . . . 5401 1 1008 . 1 1 77 77 LEU HD22 H 1 0.46 0.02 . 1 . . . . . . . . 5401 1 1009 . 1 1 77 77 LEU HD23 H 1 0.46 0.02 . 1 . . . . . . . . 5401 1 1010 . 1 1 77 77 LEU C C 13 178.38 0.05 . 1 . . . . . . . . 5401 1 1011 . 1 1 78 78 GLU N N 15 117.18 0.05 . 1 . . . . . . . . 5401 1 1012 . 1 1 78 78 GLU H H 1 7.79 0.02 . 1 . . . . . . . . 5401 1 1013 . 1 1 78 78 GLU CA C 13 59.17 0.05 . 1 . . . . . . . . 5401 1 1014 . 1 1 78 78 GLU HA H 1 3.51 0.02 . 1 . . . . . . . . 5401 1 1015 . 1 1 78 78 GLU CB C 13 29.75 0.05 . 1 . . . . . . . . 5401 1 1016 . 1 1 78 78 GLU HB2 H 1 1.74 0.02 . 2 . . . . . . . . 5401 1 1017 . 1 1 78 78 GLU HB3 H 1 1.96 0.02 . 2 . . . . . . . . 5401 1 1018 . 1 1 78 78 GLU CG C 13 36.47 0.05 . 1 . . . . . . . . 5401 1 1019 . 1 1 78 78 GLU HG2 H 1 1.5 0.02 . 2 . . . . . . . . 5401 1 1020 . 1 1 78 78 GLU HG3 H 1 1.78 0.02 . 2 . . . . . . . . 5401 1 1021 . 1 1 78 78 GLU C C 13 179.06 0.05 . 1 . . . . . . . . 5401 1 1022 . 1 1 79 79 LEU N N 15 119.77 0.05 . 1 . . . . . . . . 5401 1 1023 . 1 1 79 79 LEU H H 1 7.36 0.02 . 1 . . . . . . . . 5401 1 1024 . 1 1 79 79 LEU CA C 13 57.89 0.05 . 1 . . . . . . . . 5401 1 1025 . 1 1 79 79 LEU HA H 1 3.97 0.02 . 1 . . . . . . . . 5401 1 1026 . 1 1 79 79 LEU CB C 13 41.97 0.05 . 1 . . . . . . . . 5401 1 1027 . 1 1 79 79 LEU HB3 H 1 1.71 0.02 . 1 . . . . . . . . 5401 1 1028 . 1 1 79 79 LEU HB2 H 1 1.89 0.02 . 1 . . . . . . . . 5401 1 1029 . 1 1 79 79 LEU CG C 13 26.54 0.05 . 1 . . . . . . . . 5401 1 1030 . 1 1 79 79 LEU HG H 1 0.99 0.02 . 1 . . . . . . . . 5401 1 1031 . 1 1 79 79 LEU CD1 C 13 24.93 0.05 . 1 . . . . . . . . 5401 1 1032 . 1 1 79 79 LEU CD2 C 13 24.23 0.05 . 1 . . . . . . . . 5401 1 1033 . 1 1 79 79 LEU C C 13 179.3 0.05 . 1 . . . . . . . . 5401 1 1034 . 1 1 80 80 LEU N N 15 118.99 0.05 . 1 . . . . . . . . 5401 1 1035 . 1 1 80 80 LEU H H 1 8.13 0.02 . 1 . . . . . . . . 5401 1 1036 . 1 1 80 80 LEU CA C 13 57.56 0.05 . 1 . . . . . . . . 5401 1 1037 . 1 1 80 80 LEU HA H 1 3.94 0.02 . 1 . . . . . . . . 5401 1 1038 . 1 1 80 80 LEU CB C 13 42.2 0.05 . 1 . . . . . . . . 5401 1 1039 . 1 1 80 80 LEU HB3 H 1 1.2 0.02 . 1 . . . . . . . . 5401 1 1040 . 1 1 80 80 LEU HB2 H 1 1.78 0.02 . 1 . . . . . . . . 5401 1 1041 . 1 1 80 80 LEU CG C 13 27.94 0.05 . 1 . . . . . . . . 5401 1 1042 . 1 1 80 80 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 5401 1 1043 . 1 1 80 80 LEU CD1 C 13 27.05 0.05 . 1 . . . . . . . . 5401 1 1044 . 1 1 80 80 LEU HD11 H 1 0.73 0.02 . 1 . . . . . . . . 5401 1 1045 . 1 1 80 80 LEU HD12 H 1 0.73 0.02 . 1 . . . . . . . . 5401 1 1046 . 1 1 80 80 LEU HD13 H 1 0.73 0.02 . 1 . . . . . . . . 5401 1 1047 . 1 1 80 80 LEU CD2 C 13 22.9 0.05 . 1 . . . . . . . . 5401 1 1048 . 1 1 80 80 LEU HD21 H 1 0.93 0.02 . 1 . . . . . . . . 5401 1 1049 . 1 1 80 80 LEU HD22 H 1 0.93 0.02 . 1 . . . . . . . . 5401 1 1050 . 1 1 80 80 LEU HD23 H 1 0.93 0.02 . 1 . . . . . . . . 5401 1 1051 . 1 1 80 80 LEU C C 13 180.36 0.05 . 1 . . . . . . . . 5401 1 1052 . 1 1 81 81 ARG N N 15 116.13 0.05 . 1 . . . . . . . . 5401 1 1053 . 1 1 81 81 ARG H H 1 8.14 0.02 . 1 . . . . . . . . 5401 1 1054 . 1 1 81 81 ARG CA C 13 57.64 0.05 . 1 . . . . . . . . 5401 1 1055 . 1 1 81 81 ARG HA H 1 3.74 0.02 . 1 . . . . . . . . 5401 1 1056 . 1 1 81 81 ARG CB C 13 30.23 0.05 . 1 . . . . . . . . 5401 1 1057 . 1 1 81 81 ARG HB3 H 1 1.71 0.02 . 1 . . . . . . . . 5401 1 1058 . 1 1 81 81 ARG HB2 H 1 1.63 0.02 . 1 . . . . . . . . 5401 1 1059 . 1 1 81 81 ARG CG C 13 27.54 0.05 . 1 . . . . . . . . 5401 1 1060 . 1 1 81 81 ARG HG2 H 1 1.11 0.02 . 2 . . . . . . . . 5401 1 1061 . 1 1 81 81 ARG HG3 H 1 1.81 0.02 . 2 . . . . . . . . 5401 1 1062 . 1 1 81 81 ARG CD C 13 43.62 0.05 . 1 . . . . . . . . 5401 1 1063 . 1 1 81 81 ARG HD2 H 1 2.81 0.02 . 1 . . . . . . . . 5401 1 1064 . 1 1 81 81 ARG HD3 H 1 2.81 0.02 . 1 . . . . . . . . 5401 1 1065 . 1 1 81 81 ARG C C 13 178.13 0.05 . 1 . . . . . . . . 5401 1 1066 . 1 1 82 82 LYS N N 15 119.8 0.05 . 1 . . . . . . . . 5401 1 1067 . 1 1 82 82 LYS H H 1 7.84 0.02 . 1 . . . . . . . . 5401 1 1068 . 1 1 82 82 LYS CA C 13 58.28 0.05 . 1 . . . . . . . . 5401 1 1069 . 1 1 82 82 LYS HA H 1 4.02 0.02 . 1 . . . . . . . . 5401 1 1070 . 1 1 82 82 LYS CB C 13 32.36 0.05 . 1 . . . . . . . . 5401 1 1071 . 1 1 82 82 LYS HB2 H 1 1.77 0.02 . 1 . . . . . . . . 5401 1 1072 . 1 1 82 82 LYS HB3 H 1 1.77 0.02 . 1 . . . . . . . . 5401 1 1073 . 1 1 82 82 LYS CG C 13 29.33 0.05 . 1 . . . . . . . . 5401 1 1074 . 1 1 82 82 LYS HG2 H 1 1.56 0.02 . 1 . . . . . . . . 5401 1 1075 . 1 1 82 82 LYS HG3 H 1 1.56 0.02 . 1 . . . . . . . . 5401 1 1076 . 1 1 82 82 LYS CD C 13 25.36 0.05 . 1 . . . . . . . . 5401 1 1077 . 1 1 82 82 LYS HD2 H 1 1.23 0.02 . 2 . . . . . . . . 5401 1 1078 . 1 1 82 82 LYS HD3 H 1 1.43 0.02 . 2 . . . . . . . . 5401 1 1079 . 1 1 82 82 LYS HE2 H 1 2.87 0.02 . 1 . . . . . . . . 5401 1 1080 . 1 1 82 82 LYS HE3 H 1 2.87 0.02 . 1 . . . . . . . . 5401 1 1081 . 1 1 82 82 LYS C C 13 178.15 0.05 . 1 . . . . . . . . 5401 1 1082 . 1 1 83 83 TYR N N 15 119 0.05 . 1 . . . . . . . . 5401 1 1083 . 1 1 83 83 TYR H H 1 7.72 0.02 . 1 . . . . . . . . 5401 1 1084 . 1 1 83 83 TYR CA C 13 59.41 0.05 . 1 . . . . . . . . 5401 1 1085 . 1 1 83 83 TYR HA H 1 4.33 0.02 . 1 . . . . . . . . 5401 1 1086 . 1 1 83 83 TYR CB C 13 38.3 0.05 . 1 . . . . . . . . 5401 1 1087 . 1 1 83 83 TYR HB2 H 1 3.01 0.02 . 2 . . . . . . . . 5401 1 1088 . 1 1 83 83 TYR HB3 H 1 3.09 0.02 . 2 . . . . . . . . 5401 1 1089 . 1 1 83 83 TYR CD1 C 13 133 0.05 . 1 . . . . . . . . 5401 1 1090 . 1 1 83 83 TYR CD2 C 13 133 0.05 . 1 . . . . . . . . 5401 1 1091 . 1 1 83 83 TYR HD1 H 1 7.12 0.02 . 1 . . . . . . . . 5401 1 1092 . 1 1 83 83 TYR HD2 H 1 7.12 0.02 . 1 . . . . . . . . 5401 1 1093 . 1 1 83 83 TYR CE1 C 13 117.87 0.05 . 1 . . . . . . . . 5401 1 1094 . 1 1 83 83 TYR CE2 C 13 117.87 0.05 . 1 . . . . . . . . 5401 1 1095 . 1 1 83 83 TYR HE1 H 1 6.69 0.02 . 1 . . . . . . . . 5401 1 1096 . 1 1 83 83 TYR HE2 H 1 6.69 0.02 . 1 . . . . . . . . 5401 1 1097 . 1 1 83 83 TYR C C 13 176.88 0.05 . 1 . . . . . . . . 5401 1 1098 . 1 1 84 84 VAL N N 15 116.95 0.05 . 1 . . . . . . . . 5401 1 1099 . 1 1 84 84 VAL H H 1 7.32 0.02 . 1 . . . . . . . . 5401 1 1100 . 1 1 84 84 VAL CA C 13 63.23 0.05 . 1 . . . . . . . . 5401 1 1101 . 1 1 84 84 VAL HA H 1 3.94 0.02 . 1 . . . . . . . . 5401 1 1102 . 1 1 84 84 VAL CB C 13 32.16 0.05 . 1 . . . . . . . . 5401 1 1103 . 1 1 84 84 VAL HB H 1 2.15 0.02 . 1 . . . . . . . . 5401 1 1104 . 1 1 84 84 VAL CG1 C 13 21.27 0.05 . 1 . . . . . . . . 5401 1 1105 . 1 1 84 84 VAL HG11 H 1 0.92 0.02 . 1 . . . . . . . . 5401 1 1106 . 1 1 84 84 VAL HG12 H 1 0.92 0.02 . 1 . . . . . . . . 5401 1 1107 . 1 1 84 84 VAL HG13 H 1 0.92 0.02 . 1 . . . . . . . . 5401 1 1108 . 1 1 84 84 VAL HG21 H 1 0.88 0.02 . 1 . . . . . . . . 5401 1 1109 . 1 1 84 84 VAL HG22 H 1 0.88 0.02 . 1 . . . . . . . . 5401 1 1110 . 1 1 84 84 VAL HG23 H 1 0.88 0.02 . 1 . . . . . . . . 5401 1 1111 . 1 1 84 84 VAL C C 13 176.33 0.05 . 1 . . . . . . . . 5401 1 1112 . 1 1 85 85 LEU N N 15 122.69 0.05 . 1 . . . . . . . . 5401 1 1113 . 1 1 85 85 LEU H H 1 7.62 0.02 . 1 . . . . . . . . 5401 1 1114 . 1 1 85 85 LEU CA C 13 55.43 0.05 . 1 . . . . . . . . 5401 1 1115 . 1 1 85 85 LEU HA H 1 4.24 0.02 . 1 . . . . . . . . 5401 1 1116 . 1 1 85 85 LEU CB C 13 42.36 0.05 . 1 . . . . . . . . 5401 1 1117 . 1 1 85 85 LEU HB2 H 1 2.27 0.02 . 2 . . . . . . . . 5401 1 1118 . 1 1 85 85 LEU HB3 H 1 1.58 0.02 . 2 . . . . . . . . 5401 1 1119 . 1 1 85 85 LEU CG C 13 26.77 0.05 . 1 . . . . . . . . 5401 1 1120 . 1 1 85 85 LEU HG H 1 0.86 0.02 . 1 . . . . . . . . 5401 1 1121 . 1 1 85 85 LEU CD1 C 13 24.9 0.05 . 1 . . . . . . . . 5401 1 1122 . 1 1 85 85 LEU HD11 H 1 0.9 0.02 . 1 . . . . . . . . 5401 1 1123 . 1 1 85 85 LEU HD12 H 1 0.9 0.02 . 1 . . . . . . . . 5401 1 1124 . 1 1 85 85 LEU HD13 H 1 0.9 0.02 . 1 . . . . . . . . 5401 1 1125 . 1 1 85 85 LEU CD2 C 13 23.4 0.05 . 1 . . . . . . . . 5401 1 1126 . 1 1 85 85 LEU HD21 H 1 0.86 0.02 . 1 . . . . . . . . 5401 1 1127 . 1 1 85 85 LEU HD22 H 1 0.86 0.02 . 1 . . . . . . . . 5401 1 1128 . 1 1 85 85 LEU HD23 H 1 0.86 0.02 . 1 . . . . . . . . 5401 1 1129 . 1 1 85 85 LEU C C 13 176.87 0.05 . 1 . . . . . . . . 5401 1 1130 . 1 1 86 86 ALA N N 15 124.32 0.05 . 1 . . . . . . . . 5401 1 1131 . 1 1 86 86 ALA H H 1 7.87 0.02 . 1 . . . . . . . . 5401 1 1132 . 1 1 86 86 ALA CA C 13 52.31 0.05 . 1 . . . . . . . . 5401 1 1133 . 1 1 86 86 ALA HA H 1 4.35 0.02 . 1 . . . . . . . . 5401 1 1134 . 1 1 86 86 ALA CB C 13 19.28 0.05 . 1 . . . . . . . . 5401 1 1135 . 1 1 86 86 ALA HB1 H 1 1.36 0.02 . 1 . . . . . . . . 5401 1 1136 . 1 1 86 86 ALA HB2 H 1 1.36 0.02 . 1 . . . . . . . . 5401 1 1137 . 1 1 86 86 ALA HB3 H 1 1.36 0.02 . 1 . . . . . . . . 5401 1 1138 . 1 1 86 86 ALA C C 13 176.55 0.05 . 1 . . . . . . . . 5401 1 1139 . 1 1 87 87 SER N N 15 120.67 0.05 . 1 . . . . . . . . 5401 1 1140 . 1 1 87 87 SER H H 1 7.72 0.02 . 1 . . . . . . . . 5401 1 1141 . 1 1 87 87 SER CA C 13 59.88 0.05 . 1 . . . . . . . . 5401 1 1142 . 1 1 87 87 SER HA H 1 4.21 0.02 . 1 . . . . . . . . 5401 1 1143 . 1 1 87 87 SER CB C 13 64.82 0.05 . 1 . . . . . . . . 5401 1 1144 . 1 1 87 87 SER HB2 H 1 4.21 0.02 . 2 . . . . . . . . 5401 1 1145 . 1 1 87 87 SER HB3 H 1 3.74 0.02 . 2 . . . . . . . . 5401 1 1146 . 1 1 87 87 SER C C 13 178.63 0.05 . 1 . . . . . . . . 5401 1 stop_ save_