data_15569 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15569 _Entry.Title ; SOLUTION STRUCTURE OF MSIN3A PAH1 DOMAIN ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-11-27 _Entry.Accession_date 2007-11-27 _Entry.Last_release_date 2008-06-27 _Entry.Original_release_date 2008-06-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 S. Sahu S. C. . 15569 2 K. Swanson K. A. . 15569 3 R. Kang R. S. . 15569 4 K. Huang K. . . 15569 5 K. Brubaker K. . . 15569 6 K. Ratcliff K. . . 15569 7 I. Radhakrishnan I. . . 15569 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PAH DOMAIN' . 15569 'PROTEIN/PROTEIN INTERACTION' . 15569 'SIN3 COREPRESSOR' . 15569 'TRANSCRIPTION REGULATION' . 15569 'TRANSCRIPTION REPRESSION' . 15569 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15569 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 321 15569 '15N chemical shifts' 74 15569 '1H chemical shifts' 480 15569 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 . . 2008-06-27 2007-11-27 original author . 15569 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15569 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18089292 _Citation.Full_citation . _Citation.Title 'Conserved themes in target recognition by the PAH1 and PAH2 domains of the Sin3 transcriptional corepressor' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 375 _Citation.Journal_issue 5 _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 1444 _Citation.Page_last 1456 _Citation.Year 2008 _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 S. Sahu S. C. . 15569 1 2 K. Swanson K. A. . 15569 1 3 R. Kang R. S. . 15569 1 4 K. Huang K. . . 15569 1 5 K. Brubaker K. . . 15569 1 6 K. Ratcliff K. . . 15569 1 7 I. Radhakrishnan I. . . 15569 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15569 _Assembly.ID 1 _Assembly.Name PAH1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PAH1 1 $PAIRED_AMPHIPATHIC_HELIX_PROTEIN_SIN3A A . yes native no no . . . 15569 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PAIRED_AMPHIPATHIC_HELIX_PROTEIN_SIN3A _Entity.Sf_category entity _Entity.Sf_framecode PAIRED_AMPHIPATHIC_HELIX_PROTEIN_SIN3A _Entity.Entry_ID 15569 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PAIRED_AMPHIPATHIC_HELIX_PROTEIN_SIN3A _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QRLKVEDALSYLDQVKLQFG SQPQVYNDFLDIMKEFKSQS IDTPGVISRVSQLFKGHPDL IMGFNTFLPPG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'PAH1 RESIDUES 119-189' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8087.342 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 15570 . PAIRED_AMPHIPATHIC_HELIX_PROTEIN_SIN3A . . . . . 100.00 71 100.00 100.00 1.58e-42 . . . . 15569 1 2 no PDB 2RMR . "Solution Structure Of Msin3a Pah1 Domain" . . . . . 100.00 71 100.00 100.00 1.58e-42 . . . . 15569 1 3 no PDB 2RMS . "Solution Structure Of The Msin3a Pah1-Sap25 Sid Complex" . . . . . 100.00 71 100.00 100.00 1.58e-42 . . . . 15569 1 4 no EMBL CDQ82228 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 290 98.59 100.00 5.37e-41 . . . . 15569 1 5 no GB AAH81027 . "Unknown (protein for MGC:81671) [Xenopus laevis]" . . . . . 100.00 1059 97.18 100.00 4.15e-38 . . . . 15569 1 6 no GB ETE65880 . "Paired amphipathic helix protein Sin3a [Ophiophagus hannah]" . . . . . 100.00 1219 100.00 100.00 3.84e-39 . . . . 15569 1 7 no REF NP_001129640 . "paired amphipathic helix protein Sin3a-like [Xenopus laevis]" . . . . . 100.00 1059 97.18 100.00 4.15e-38 . . . . 15569 1 8 no REF XP_012362542 . "PREDICTED: LOW QUALITY PROTEIN: paired amphipathic helix protein Sin3a [Nomascus leucogenys]" . . . . . 100.00 1250 100.00 100.00 5.01e-39 . . . . 15569 1 9 no REF XP_013921538 . "PREDICTED: paired amphipathic helix protein Sin3a, partial [Thamnophis sirtalis]" . . . . . 54.93 848 100.00 100.00 2.70e-15 . . . . 15569 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SIN3A, HISTONE DEACETYLASE ASSOCIATED SIN3 COREPRESSOR COMPLEX' . 15569 1 'SIN3A PAH1 DOMAIN' . 15569 1 'SUBUNIT SIN3A' . 15569 1 'TRANSCRIPTIONAL COREPRESSOR' . 15569 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 1 119 GLN . 15569 1 2 120 ARG . 15569 1 3 121 LEU . 15569 1 4 122 LYS . 15569 1 5 123 VAL . 15569 1 6 124 GLU . 15569 1 7 125 ASP . 15569 1 8 126 ALA . 15569 1 9 127 LEU . 15569 1 10 128 SER . 15569 1 11 129 TYR . 15569 1 12 130 LEU . 15569 1 13 131 ASP . 15569 1 14 132 GLN . 15569 1 15 133 VAL . 15569 1 16 134 LYS . 15569 1 17 135 LEU . 15569 1 18 136 GLN . 15569 1 19 137 PHE . 15569 1 20 138 GLY . 15569 1 21 139 SER . 15569 1 22 140 GLN . 15569 1 23 141 PRO . 15569 1 24 142 GLN . 15569 1 25 143 VAL . 15569 1 26 144 TYR . 15569 1 27 145 ASN . 15569 1 28 146 ASP . 15569 1 29 147 PHE . 15569 1 30 148 LEU . 15569 1 31 149 ASP . 15569 1 32 150 ILE . 15569 1 33 151 MET . 15569 1 34 152 LYS . 15569 1 35 153 GLU . 15569 1 36 154 PHE . 15569 1 37 155 LYS . 15569 1 38 156 SER . 15569 1 39 157 GLN . 15569 1 40 158 SER . 15569 1 41 159 ILE . 15569 1 42 160 ASP . 15569 1 43 161 THR . 15569 1 44 162 PRO . 15569 1 45 163 GLY . 15569 1 46 164 VAL . 15569 1 47 165 ILE . 15569 1 48 166 SER . 15569 1 49 167 ARG . 15569 1 50 168 VAL . 15569 1 51 169 SER . 15569 1 52 170 GLN . 15569 1 53 171 LEU . 15569 1 54 172 PHE . 15569 1 55 173 LYS . 15569 1 56 174 GLY . 15569 1 57 175 HIS . 15569 1 58 176 PRO . 15569 1 59 177 ASP . 15569 1 60 178 LEU . 15569 1 61 179 ILE . 15569 1 62 180 MET . 15569 1 63 181 GLY . 15569 1 64 182 PHE . 15569 1 65 183 ASN . 15569 1 66 184 THR . 15569 1 67 185 PHE . 15569 1 68 186 LEU . 15569 1 69 187 PRO . 15569 1 70 188 PRO . 15569 1 71 189 GLY . 15569 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLN 1 1 15569 1 . ARG 2 2 15569 1 . LEU 3 3 15569 1 . LYS 4 4 15569 1 . VAL 5 5 15569 1 . GLU 6 6 15569 1 . ASP 7 7 15569 1 . ALA 8 8 15569 1 . LEU 9 9 15569 1 . SER 10 10 15569 1 . TYR 11 11 15569 1 . LEU 12 12 15569 1 . ASP 13 13 15569 1 . GLN 14 14 15569 1 . VAL 15 15 15569 1 . LYS 16 16 15569 1 . LEU 17 17 15569 1 . GLN 18 18 15569 1 . PHE 19 19 15569 1 . GLY 20 20 15569 1 . SER 21 21 15569 1 . GLN 22 22 15569 1 . PRO 23 23 15569 1 . GLN 24 24 15569 1 . VAL 25 25 15569 1 . TYR 26 26 15569 1 . ASN 27 27 15569 1 . ASP 28 28 15569 1 . PHE 29 29 15569 1 . LEU 30 30 15569 1 . ASP 31 31 15569 1 . ILE 32 32 15569 1 . MET 33 33 15569 1 . LYS 34 34 15569 1 . GLU 35 35 15569 1 . PHE 36 36 15569 1 . LYS 37 37 15569 1 . SER 38 38 15569 1 . GLN 39 39 15569 1 . SER 40 40 15569 1 . ILE 41 41 15569 1 . ASP 42 42 15569 1 . THR 43 43 15569 1 . PRO 44 44 15569 1 . GLY 45 45 15569 1 . VAL 46 46 15569 1 . ILE 47 47 15569 1 . SER 48 48 15569 1 . ARG 49 49 15569 1 . VAL 50 50 15569 1 . SER 51 51 15569 1 . GLN 52 52 15569 1 . LEU 53 53 15569 1 . PHE 54 54 15569 1 . LYS 55 55 15569 1 . GLY 56 56 15569 1 . HIS 57 57 15569 1 . PRO 58 58 15569 1 . ASP 59 59 15569 1 . LEU 60 60 15569 1 . ILE 61 61 15569 1 . MET 62 62 15569 1 . GLY 63 63 15569 1 . PHE 64 64 15569 1 . ASN 65 65 15569 1 . THR 66 66 15569 1 . PHE 67 67 15569 1 . LEU 68 68 15569 1 . PRO 69 69 15569 1 . PRO 70 70 15569 1 . GLY 71 71 15569 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 15569 _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 $PAIRED_AMPHIPATHIC_HELIX_PROTEIN_SIN3A . 10090 organism . 'MUS MUSCULUS' MOUSE . . Eukaryota Metazoa Mus Musculus . . . . . . . . . . . . . . . . SIN3A . . . . 15569 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 15569 _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 $PAIRED_AMPHIPATHIC_HELIX_PROTEIN_SIN3A . 'recombinant technology' 'ESCHERICHIA COLI' . . . ESCHERICHIA COLI . . . . . . . . . . . . . PLASMID . . PET30 . . . . . . 15569 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15569 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7-1.0MM [U-13C/15N SIN3A PAH1 DOMAIN, 20MM SODIUM PHOSPHATE, 2MM DTT, 0.2% SODIUM AZIDE, 100% D2O; 0.7- 1.0MM [U-15N] SIN3A PAH1 DOMAIN, 20MM SODIUM PHOSPHATE, 2MM DTT, 0.2% SODIUM AZIDE, 90% H2O/10% D2O; 0.7-1.0MM [U- 13C; U-15N] SIN3A PAH1 DOMAIN, 20MM SODIUM PHOSPHATE, 2MM DTT, 0.2% SODIUM AZIDE, 90% H2O/10% D2O' _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PAH1 '[U-100% 15N]' . . 1 $PAIRED_AMPHIPATHIC_HELIX_PROTEIN_SIN3A . . 1 . . mM . . . . 15569 1 2 'SODIUM PHOSPHATE' 'natural abundance' . . . . . . 20 . . mM . . . . 15569 1 3 'SODIUM AZIDE' 'natural abundance' . . . . . . 0.2 . . % . . . . 15569 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 15569 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15569 1 6 H2O . . . . . . . 90 . . % . . . . 15569 1 stop_ save_ save_sample)_2 _Sample.Sf_category sample _Sample.Sf_framecode sample)_2 _Sample.Entry_ID 15569 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7-1.0MM [U-13C/15N SIN3A PAH1 DOMAIN, 20MM SODIUM PHOSPHATE, 2MM DTT, 0.2% SODIUM AZIDE, 100% D2O; 0.7- 1.0MM [U-15N] SIN3A PAH1 DOMAIN, 20MM SODIUM PHOSPHATE, 2MM DTT, 0.2% SODIUM AZIDE, 90% H2O/10% D2O; 0.7-1.0MM [U- 13C; U-15N] SIN3A PAH1 DOMAIN, 20MM SODIUM PHOSPHATE, 2MM DTT, 0.2% SODIUM AZIDE, 90% H2O/10% D2O' _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PAH1 '[U-100% 13C; U-100% 15N]' . . 1 $PAIRED_AMPHIPATHIC_HELIX_PROTEIN_SIN3A . . 1 . . mM . . . . 15569 2 2 'SODIUM PHOSPHATE' 'natural abundance' . . . . . . 20 . . mM . . . . 15569 2 3 'SODIUM AZIDE' 'natural abundance' . . . . . . 0.2 . . % . . . . 15569 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 15569 2 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15569 2 6 H2O . . . . . . . 90 . . % . . . . 15569 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15569 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 15569 1 pH 6 . pH 15569 1 pressure 1 . atm 15569 1 temperature 288 . K 15569 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15569 _Software.ID 1 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'BRUNGER, ADAMS, CLORE, GROS, NILGES, READ' . . 15569 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15569 1 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 15569 _Software.ID 2 _Software.Name FELIX _Software.Version 98.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15569 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15569 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 15569 _Software.ID 3 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 15569 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15569 3 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15569 _Software.ID 4 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15569 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15569 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15569 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 15569 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 VARIAN INOVA . 600 . . . 15569 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 15569 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15569 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15569 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15569 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15569 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15569 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15569 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15569 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 15569 1 2 '3D 1H-13C NOESY' . . . 15569 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN HA H 1 4.06 0.03 . 1 . . . . 119 GLN HA . 15569 1 2 . 1 1 1 1 GLN HB2 H 1 1.99 0.03 . 2 . . . . 119 GLN HB2 . 15569 1 3 . 1 1 1 1 GLN HB3 H 1 2.19 0.03 . 2 . . . . 119 GLN HB3 . 15569 1 4 . 1 1 1 1 GLN HE21 H 1 7.64 0.03 . 2 . . . . 119 GLN HE21 . 15569 1 5 . 1 1 1 1 GLN HE22 H 1 6.94 0.03 . 2 . . . . 119 GLN HE22 . 15569 1 6 . 1 1 1 1 GLN HG2 H 1 2.17 0.03 . 2 . . . . 119 GLN HG2 . 15569 1 7 . 1 1 1 1 GLN HG3 H 1 2.43 0.03 . 2 . . . . 119 GLN HG3 . 15569 1 8 . 1 1 1 1 GLN C C 13 177.73 0.20 . 1 . . . . 119 GLN C . 15569 1 9 . 1 1 1 1 GLN CA C 13 59.44 0.20 . 1 . . . . 119 GLN CA . 15569 1 10 . 1 1 1 1 GLN CB C 13 28.12 0.20 . 1 . . . . 119 GLN CB . 15569 1 11 . 1 1 1 1 GLN CG C 13 36.66 0.20 . 1 . . . . 119 GLN CG . 15569 1 12 . 1 1 1 1 GLN NE2 N 15 112.22 0.30 . 1 . . . . 119 GLN NE2 . 15569 1 13 . 1 1 2 2 ARG H H 1 8.52 0.03 . 1 . . . . 120 ARG H . 15569 1 14 . 1 1 2 2 ARG HA H 1 4.32 0.03 . 1 . . . . 120 ARG HA . 15569 1 15 . 1 1 2 2 ARG HB2 H 1 1.75 0.03 . 2 . . . . 120 ARG HB2 . 15569 1 16 . 1 1 2 2 ARG HB3 H 1 1.80 0.03 . 2 . . . . 120 ARG HB3 . 15569 1 17 . 1 1 2 2 ARG HD3 H 1 3.17 0.03 . 2 . . . . 120 ARG HD3 . 15569 1 18 . 1 1 2 2 ARG HG3 H 1 1.60 0.03 . 2 . . . . 120 ARG HG3 . 15569 1 19 . 1 1 2 2 ARG C C 13 176.02 0.20 . 1 . . . . 120 ARG C . 15569 1 20 . 1 1 2 2 ARG CA C 13 56.27 0.20 . 1 . . . . 120 ARG CA . 15569 1 21 . 1 1 2 2 ARG CB C 13 30.97 0.20 . 1 . . . . 120 ARG CB . 15569 1 22 . 1 1 2 2 ARG CD C 13 43.47 0.20 . 1 . . . . 120 ARG CD . 15569 1 23 . 1 1 2 2 ARG CG C 13 26.99 0.20 . 1 . . . . 120 ARG CG . 15569 1 24 . 1 1 2 2 ARG N N 15 123.46 0.30 . 1 . . . . 120 ARG N . 15569 1 25 . 1 1 3 3 LEU H H 1 8.55 0.03 . 1 . . . . 121 LEU H . 15569 1 26 . 1 1 3 3 LEU HA H 1 4.34 0.03 . 1 . . . . 121 LEU HA . 15569 1 27 . 1 1 3 3 LEU HB3 H 1 1.57 0.03 . 2 . . . . 121 LEU HB3 . 15569 1 28 . 1 1 3 3 LEU HD11 H 1 0.86 0.03 . 2 . . . . 121 LEU HD1 . 15569 1 29 . 1 1 3 3 LEU HD12 H 1 0.86 0.03 . 2 . . . . 121 LEU HD1 . 15569 1 30 . 1 1 3 3 LEU HD13 H 1 0.86 0.03 . 2 . . . . 121 LEU HD1 . 15569 1 31 . 1 1 3 3 LEU HD21 H 1 0.80 0.03 . 2 . . . . 121 LEU HD2 . 15569 1 32 . 1 1 3 3 LEU HD22 H 1 0.80 0.03 . 2 . . . . 121 LEU HD2 . 15569 1 33 . 1 1 3 3 LEU HD23 H 1 0.80 0.03 . 2 . . . . 121 LEU HD2 . 15569 1 34 . 1 1 3 3 LEU HG H 1 1.57 0.03 . 1 . . . . 121 LEU HG . 15569 1 35 . 1 1 3 3 LEU C C 13 177.20 0.20 . 1 . . . . 121 LEU C . 15569 1 36 . 1 1 3 3 LEU CA C 13 55.28 0.20 . 1 . . . . 121 LEU CA . 15569 1 37 . 1 1 3 3 LEU CB C 13 42.79 0.20 . 1 . . . . 121 LEU CB . 15569 1 38 . 1 1 3 3 LEU CD1 C 13 24.84 0.20 . 2 . . . . 121 LEU CD1 . 15569 1 39 . 1 1 3 3 LEU CD2 C 13 23.51 0.20 . 2 . . . . 121 LEU CD2 . 15569 1 40 . 1 1 3 3 LEU CG C 13 27.05 0.20 . 1 . . . . 121 LEU CG . 15569 1 41 . 1 1 3 3 LEU N N 15 124.80 0.30 . 1 . . . . 121 LEU N . 15569 1 42 . 1 1 4 4 LYS H H 1 8.53 0.03 . 1 . . . . 122 LYS H . 15569 1 43 . 1 1 4 4 LYS HA H 1 4.35 0.03 . 1 . . . . 122 LYS HA . 15569 1 44 . 1 1 4 4 LYS HB2 H 1 1.74 0.03 . 2 . . . . 122 LYS HB2 . 15569 1 45 . 1 1 4 4 LYS HB3 H 1 1.85 0.03 . 2 . . . . 122 LYS HB3 . 15569 1 46 . 1 1 4 4 LYS HD3 H 1 1.68 0.03 . 2 . . . . 122 LYS HD3 . 15569 1 47 . 1 1 4 4 LYS HE3 H 1 2.96 0.03 . 2 . . . . 122 LYS HE3 . 15569 1 48 . 1 1 4 4 LYS HG2 H 1 1.37 0.03 . 2 . . . . 122 LYS HG2 . 15569 1 49 . 1 1 4 4 LYS HG3 H 1 1.44 0.03 . 2 . . . . 122 LYS HG3 . 15569 1 50 . 1 1 4 4 LYS C C 13 177.16 0.20 . 1 . . . . 122 LYS C . 15569 1 51 . 1 1 4 4 LYS CA C 13 56.36 0.20 . 1 . . . . 122 LYS CA . 15569 1 52 . 1 1 4 4 LYS CB C 13 33.04 0.20 . 1 . . . . 122 LYS CB . 15569 1 53 . 1 1 4 4 LYS CD C 13 29.09 0.20 . 1 . . . . 122 LYS CD . 15569 1 54 . 1 1 4 4 LYS CE C 13 41.68 0.20 . 1 . . . . 122 LYS CE . 15569 1 55 . 1 1 4 4 LYS CG C 13 24.77 0.20 . 1 . . . . 122 LYS CG . 15569 1 56 . 1 1 4 4 LYS N N 15 123.46 0.30 . 1 . . . . 122 LYS N . 15569 1 57 . 1 1 5 5 VAL H H 1 8.35 0.03 . 1 . . . . 123 VAL H . 15569 1 58 . 1 1 5 5 VAL HA H 1 3.92 0.03 . 1 . . . . 123 VAL HA . 15569 1 59 . 1 1 5 5 VAL HB H 1 2.02 0.03 . 1 . . . . 123 VAL HB . 15569 1 60 . 1 1 5 5 VAL HG11 H 1 0.92 0.03 . 2 . . . . 123 VAL HG1 . 15569 1 61 . 1 1 5 5 VAL HG12 H 1 0.92 0.03 . 2 . . . . 123 VAL HG1 . 15569 1 62 . 1 1 5 5 VAL HG13 H 1 0.92 0.03 . 2 . . . . 123 VAL HG1 . 15569 1 63 . 1 1 5 5 VAL HG21 H 1 0.92 0.03 . 2 . . . . 123 VAL HG2 . 15569 1 64 . 1 1 5 5 VAL HG22 H 1 0.92 0.03 . 2 . . . . 123 VAL HG2 . 15569 1 65 . 1 1 5 5 VAL HG23 H 1 0.92 0.03 . 2 . . . . 123 VAL HG2 . 15569 1 66 . 1 1 5 5 VAL C C 13 176.70 0.20 . 1 . . . . 123 VAL C . 15569 1 67 . 1 1 5 5 VAL CA C 13 63.61 0.20 . 1 . . . . 123 VAL CA . 15569 1 68 . 1 1 5 5 VAL CB C 13 32.51 0.20 . 1 . . . . 123 VAL CB . 15569 1 69 . 1 1 5 5 VAL CG1 C 13 21.05 0.20 . 2 . . . . 123 VAL CG1 . 15569 1 70 . 1 1 5 5 VAL CG2 C 13 21.05 0.20 . 2 . . . . 123 VAL CG2 . 15569 1 71 . 1 1 5 5 VAL N N 15 122.73 0.30 . 1 . . . . 123 VAL N . 15569 1 72 . 1 1 6 6 GLU H H 1 8.72 0.03 . 1 . . . . 124 GLU H . 15569 1 73 . 1 1 6 6 GLU HA H 1 4.20 0.03 . 1 . . . . 124 GLU HA . 15569 1 74 . 1 1 6 6 GLU HB2 H 1 1.93 0.03 . 2 . . . . 124 GLU HB2 . 15569 1 75 . 1 1 6 6 GLU HB3 H 1 2.06 0.03 . 2 . . . . 124 GLU HB3 . 15569 1 76 . 1 1 6 6 GLU HG3 H 1 2.26 0.03 . 2 . . . . 124 GLU HG3 . 15569 1 77 . 1 1 6 6 GLU C C 13 176.87 0.20 . 1 . . . . 124 GLU C . 15569 1 78 . 1 1 6 6 GLU CA C 13 57.51 0.20 . 1 . . . . 124 GLU CA . 15569 1 79 . 1 1 6 6 GLU CB C 13 29.98 0.20 . 1 . . . . 124 GLU CB . 15569 1 80 . 1 1 6 6 GLU CG C 13 36.56 0.20 . 1 . . . . 124 GLU CG . 15569 1 81 . 1 1 6 6 GLU N N 15 122.54 0.30 . 1 . . . . 124 GLU N . 15569 1 82 . 1 1 7 7 ASP H H 1 8.05 0.03 . 1 . . . . 125 ASP H . 15569 1 83 . 1 1 7 7 ASP HA H 1 4.58 0.03 . 1 . . . . 125 ASP HA . 15569 1 84 . 1 1 7 7 ASP HB3 H 1 2.70 0.03 . 2 . . . . 125 ASP HB3 . 15569 1 85 . 1 1 7 7 ASP C C 13 176.67 0.20 . 1 . . . . 125 ASP C . 15569 1 86 . 1 1 7 7 ASP CA C 13 54.90 0.20 . 1 . . . . 125 ASP CA . 15569 1 87 . 1 1 7 7 ASP CB C 13 41.27 0.20 . 1 . . . . 125 ASP CB . 15569 1 88 . 1 1 7 7 ASP N N 15 120.53 0.30 . 1 . . . . 125 ASP N . 15569 1 89 . 1 1 8 8 ALA H H 1 8.15 0.03 . 1 . . . . 126 ALA H . 15569 1 90 . 1 1 8 8 ALA HA H 1 4.22 0.03 . 1 . . . . 126 ALA HA . 15569 1 91 . 1 1 8 8 ALA HB1 H 1 1.38 0.03 . 1 . . . . 126 ALA HB . 15569 1 92 . 1 1 8 8 ALA HB2 H 1 1.38 0.03 . 1 . . . . 126 ALA HB . 15569 1 93 . 1 1 8 8 ALA HB3 H 1 1.38 0.03 . 1 . . . . 126 ALA HB . 15569 1 94 . 1 1 8 8 ALA C C 13 178.20 0.20 . 1 . . . . 126 ALA C . 15569 1 95 . 1 1 8 8 ALA CA C 13 53.40 0.20 . 1 . . . . 126 ALA CA . 15569 1 96 . 1 1 8 8 ALA CB C 13 19.12 0.20 . 1 . . . . 126 ALA CB . 15569 1 97 . 1 1 8 8 ALA N N 15 124.23 0.30 . 1 . . . . 126 ALA N . 15569 1 98 . 1 1 9 9 LEU H H 1 8.12 0.03 . 1 . . . . 127 LEU H . 15569 1 99 . 1 1 9 9 LEU HA H 1 4.31 0.03 . 1 . . . . 127 LEU HA . 15569 1 100 . 1 1 9 9 LEU HB2 H 1 1.57 0.03 . 2 . . . . 127 LEU HB2 . 15569 1 101 . 1 1 9 9 LEU HB3 H 1 1.74 0.03 . 2 . . . . 127 LEU HB3 . 15569 1 102 . 1 1 9 9 LEU HD11 H 1 0.88 0.03 . 2 . . . . 127 LEU HD1 . 15569 1 103 . 1 1 9 9 LEU HD12 H 1 0.88 0.03 . 2 . . . . 127 LEU HD1 . 15569 1 104 . 1 1 9 9 LEU HD13 H 1 0.88 0.03 . 2 . . . . 127 LEU HD1 . 15569 1 105 . 1 1 9 9 LEU HD21 H 1 0.88 0.03 . 2 . . . . 127 LEU HD2 . 15569 1 106 . 1 1 9 9 LEU HD22 H 1 0.88 0.03 . 2 . . . . 127 LEU HD2 . 15569 1 107 . 1 1 9 9 LEU HD23 H 1 0.88 0.03 . 2 . . . . 127 LEU HD2 . 15569 1 108 . 1 1 9 9 LEU HG H 1 1.74 0.03 . 1 . . . . 127 LEU HG . 15569 1 109 . 1 1 9 9 LEU C C 13 178.94 0.20 . 1 . . . . 127 LEU C . 15569 1 110 . 1 1 9 9 LEU CA C 13 56.37 0.20 . 1 . . . . 127 LEU CA . 15569 1 111 . 1 1 9 9 LEU CB C 13 42.43 0.20 . 1 . . . . 127 LEU CB . 15569 1 112 . 1 1 9 9 LEU CD1 C 13 23.32 0.20 . 2 . . . . 127 LEU CD1 . 15569 1 113 . 1 1 9 9 LEU CD2 C 13 25.43 0.20 . 2 . . . . 127 LEU CD2 . 15569 1 114 . 1 1 9 9 LEU CG C 13 27.25 0.20 . 1 . . . . 127 LEU CG . 15569 1 115 . 1 1 9 9 LEU N N 15 119.96 0.30 . 1 . . . . 127 LEU N . 15569 1 116 . 1 1 10 10 SER H H 1 8.81 0.03 . 1 . . . . 128 SER H . 15569 1 117 . 1 1 10 10 SER HA H 1 4.42 0.03 . 1 . . . . 128 SER HA . 15569 1 118 . 1 1 10 10 SER HB2 H 1 4.05 0.03 . 2 . . . . 128 SER HB2 . 15569 1 119 . 1 1 10 10 SER HB3 H 1 4.20 0.03 . 2 . . . . 128 SER HB3 . 15569 1 120 . 1 1 10 10 SER C C 13 175.97 0.20 . 1 . . . . 128 SER C . 15569 1 121 . 1 1 10 10 SER CA C 13 59.39 0.20 . 1 . . . . 128 SER CA . 15569 1 122 . 1 1 10 10 SER CB C 13 63.78 0.20 . 1 . . . . 128 SER CB . 15569 1 123 . 1 1 10 10 SER N N 15 117.72 0.30 . 1 . . . . 128 SER N . 15569 1 124 . 1 1 11 11 TYR H H 1 8.57 0.03 . 1 . . . . 129 TYR H . 15569 1 125 . 1 1 11 11 TYR HA H 1 4.11 0.03 . 1 . . . . 129 TYR HA . 15569 1 126 . 1 1 11 11 TYR HB2 H 1 2.91 0.03 . 2 . . . . 129 TYR HB2 . 15569 1 127 . 1 1 11 11 TYR HB3 H 1 3.22 0.03 . 2 . . . . 129 TYR HB3 . 15569 1 128 . 1 1 11 11 TYR HD1 H 1 6.72 0.03 . 3 . . . . 129 TYR HD1 . 15569 1 129 . 1 1 11 11 TYR HE1 H 1 6.63 0.03 . 3 . . . . 129 TYR HE1 . 15569 1 130 . 1 1 11 11 TYR C C 13 177.47 0.20 . 1 . . . . 129 TYR C . 15569 1 131 . 1 1 11 11 TYR CA C 13 62.83 0.20 . 1 . . . . 129 TYR CA . 15569 1 132 . 1 1 11 11 TYR CB C 13 38.91 0.20 . 1 . . . . 129 TYR CB . 15569 1 133 . 1 1 11 11 TYR CD1 C 13 132.49 0.20 . 1 . . . . 129 TYR CD1 . 15569 1 134 . 1 1 11 11 TYR CE1 C 13 116.88 0.20 . 1 . . . . 129 TYR CE1 . 15569 1 135 . 1 1 11 11 TYR N N 15 123.93 0.30 . 1 . . . . 129 TYR N . 15569 1 136 . 1 1 12 12 LEU H H 1 8.30 0.03 . 1 . . . . 130 LEU H . 15569 1 137 . 1 1 12 12 LEU HA H 1 3.87 0.03 . 1 . . . . 130 LEU HA . 15569 1 138 . 1 1 12 12 LEU HB3 H 1 1.88 0.03 . 2 . . . . 130 LEU HB3 . 15569 1 139 . 1 1 12 12 LEU HD11 H 1 1.17 0.03 . 2 . . . . 130 LEU HD1 . 15569 1 140 . 1 1 12 12 LEU HD12 H 1 1.17 0.03 . 2 . . . . 130 LEU HD1 . 15569 1 141 . 1 1 12 12 LEU HD13 H 1 1.17 0.03 . 2 . . . . 130 LEU HD1 . 15569 1 142 . 1 1 12 12 LEU HD21 H 1 1.15 0.03 . 2 . . . . 130 LEU HD2 . 15569 1 143 . 1 1 12 12 LEU HD22 H 1 1.15 0.03 . 2 . . . . 130 LEU HD2 . 15569 1 144 . 1 1 12 12 LEU HD23 H 1 1.15 0.03 . 2 . . . . 130 LEU HD2 . 15569 1 145 . 1 1 12 12 LEU HG H 1 2.09 0.03 . 1 . . . . 130 LEU HG . 15569 1 146 . 1 1 12 12 LEU C C 13 179.61 0.20 . 1 . . . . 130 LEU C . 15569 1 147 . 1 1 12 12 LEU CA C 13 58.48 0.20 . 1 . . . . 130 LEU CA . 15569 1 148 . 1 1 12 12 LEU CB C 13 41.38 0.20 . 1 . . . . 130 LEU CB . 15569 1 149 . 1 1 12 12 LEU CD1 C 13 25.08 0.20 . 2 . . . . 130 LEU CD1 . 15569 1 150 . 1 1 12 12 LEU CD2 C 13 23.58 0.20 . 2 . . . . 130 LEU CD2 . 15569 1 151 . 1 1 12 12 LEU CG C 13 27.57 0.20 . 1 . . . . 130 LEU CG . 15569 1 152 . 1 1 12 12 LEU N N 15 117.28 0.30 . 1 . . . . 130 LEU N . 15569 1 153 . 1 1 13 13 ASP H H 1 7.78 0.03 . 1 . . . . 131 ASP H . 15569 1 154 . 1 1 13 13 ASP HA H 1 4.36 0.03 . 1 . . . . 131 ASP HA . 15569 1 155 . 1 1 13 13 ASP HB2 H 1 2.54 0.03 . 2 . . . . 131 ASP HB2 . 15569 1 156 . 1 1 13 13 ASP HB3 H 1 2.85 0.03 . 2 . . . . 131 ASP HB3 . 15569 1 157 . 1 1 13 13 ASP C C 13 179.14 0.20 . 1 . . . . 131 ASP C . 15569 1 158 . 1 1 13 13 ASP CA C 13 56.76 0.20 . 1 . . . . 131 ASP CA . 15569 1 159 . 1 1 13 13 ASP CB C 13 40.61 0.20 . 1 . . . . 131 ASP CB . 15569 1 160 . 1 1 13 13 ASP N N 15 117.90 0.30 . 1 . . . . 131 ASP N . 15569 1 161 . 1 1 14 14 GLN H H 1 7.92 0.03 . 1 . . . . 132 GLN H . 15569 1 162 . 1 1 14 14 GLN HA H 1 3.88 0.03 . 1 . . . . 132 GLN HA . 15569 1 163 . 1 1 14 14 GLN HB2 H 1 1.89 0.03 . 2 . . . . 132 GLN HB2 . 15569 1 164 . 1 1 14 14 GLN HB3 H 1 2.08 0.03 . 2 . . . . 132 GLN HB3 . 15569 1 165 . 1 1 14 14 GLN HE21 H 1 7.23 0.03 . 2 . . . . 132 GLN HE21 . 15569 1 166 . 1 1 14 14 GLN HE22 H 1 6.82 0.03 . 2 . . . . 132 GLN HE22 . 15569 1 167 . 1 1 14 14 GLN HG2 H 1 2.26 0.03 . 2 . . . . 132 GLN HG2 . 15569 1 168 . 1 1 14 14 GLN HG3 H 1 2.34 0.03 . 2 . . . . 132 GLN HG3 . 15569 1 169 . 1 1 14 14 GLN C C 13 178.83 0.20 . 1 . . . . 132 GLN C . 15569 1 170 . 1 1 14 14 GLN CA C 13 59.11 0.20 . 1 . . . . 132 GLN CA . 15569 1 171 . 1 1 14 14 GLN CB C 13 28.26 0.20 . 1 . . . . 132 GLN CB . 15569 1 172 . 1 1 14 14 GLN CG C 13 34.08 0.20 . 1 . . . . 132 GLN CG . 15569 1 173 . 1 1 14 14 GLN N N 15 121.15 0.30 . 1 . . . . 132 GLN N . 15569 1 174 . 1 1 14 14 GLN NE2 N 15 110.99 0.30 . 1 . . . . 132 GLN NE2 . 15569 1 175 . 1 1 15 15 VAL H H 1 7.85 0.03 . 1 . . . . 133 VAL H . 15569 1 176 . 1 1 15 15 VAL HA H 1 3.04 0.03 . 1 . . . . 133 VAL HA . 15569 1 177 . 1 1 15 15 VAL HB H 1 2.10 0.03 . 1 . . . . 133 VAL HB . 15569 1 178 . 1 1 15 15 VAL HG11 H 1 0.78 0.03 . 1 . . . . 133 VAL HG1 . 15569 1 179 . 1 1 15 15 VAL HG12 H 1 0.78 0.03 . 1 . . . . 133 VAL HG1 . 15569 1 180 . 1 1 15 15 VAL HG13 H 1 0.78 0.03 . 1 . . . . 133 VAL HG1 . 15569 1 181 . 1 1 15 15 VAL HG21 H 1 0.20 0.03 . 1 . . . . 133 VAL HG2 . 15569 1 182 . 1 1 15 15 VAL HG22 H 1 0.20 0.03 . 1 . . . . 133 VAL HG2 . 15569 1 183 . 1 1 15 15 VAL HG23 H 1 0.20 0.03 . 1 . . . . 133 VAL HG2 . 15569 1 184 . 1 1 15 15 VAL C C 13 177.71 0.20 . 1 . . . . 133 VAL C . 15569 1 185 . 1 1 15 15 VAL CA C 13 67.11 0.20 . 1 . . . . 133 VAL CA . 15569 1 186 . 1 1 15 15 VAL CB C 13 31.93 0.20 . 1 . . . . 133 VAL CB . 15569 1 187 . 1 1 15 15 VAL CG1 C 13 22.33 0.20 . 1 . . . . 133 VAL CG1 . 15569 1 188 . 1 1 15 15 VAL CG2 C 13 22.53 0.20 . 1 . . . . 133 VAL CG2 . 15569 1 189 . 1 1 15 15 VAL N N 15 120.14 0.30 . 1 . . . . 133 VAL N . 15569 1 190 . 1 1 16 16 LYS H H 1 7.98 0.03 . 1 . . . . 134 LYS H . 15569 1 191 . 1 1 16 16 LYS HA H 1 3.35 0.03 . 1 . . . . 134 LYS HA . 15569 1 192 . 1 1 16 16 LYS HB2 H 1 1.50 0.03 . 2 . . . . 134 LYS HB2 . 15569 1 193 . 1 1 16 16 LYS HB3 H 1 1.65 0.03 . 2 . . . . 134 LYS HB3 . 15569 1 194 . 1 1 16 16 LYS HD3 H 1 1.36 0.03 . 2 . . . . 134 LYS HD3 . 15569 1 195 . 1 1 16 16 LYS HE3 H 1 2.68 0.03 . 2 . . . . 134 LYS HE3 . 15569 1 196 . 1 1 16 16 LYS HG2 H 1 0.79 0.03 . 2 . . . . 134 LYS HG2 . 15569 1 197 . 1 1 16 16 LYS HG3 H 1 0.92 0.03 . 2 . . . . 134 LYS HG3 . 15569 1 198 . 1 1 16 16 LYS C C 13 179.82 0.20 . 1 . . . . 134 LYS C . 15569 1 199 . 1 1 16 16 LYS CA C 13 59.63 0.20 . 1 . . . . 134 LYS CA . 15569 1 200 . 1 1 16 16 LYS CB C 13 32.74 0.20 . 1 . . . . 134 LYS CB . 15569 1 201 . 1 1 16 16 LYS CD C 13 29.28 0.20 . 1 . . . . 134 LYS CD . 15569 1 202 . 1 1 16 16 LYS CE C 13 41.88 0.20 . 1 . . . . 134 LYS CE . 15569 1 203 . 1 1 16 16 LYS CG C 13 24.92 0.20 . 1 . . . . 134 LYS CG . 15569 1 204 . 1 1 16 16 LYS N N 15 118.24 0.30 . 1 . . . . 134 LYS N . 15569 1 205 . 1 1 17 17 LEU H H 1 7.87 0.03 . 1 . . . . 135 LEU H . 15569 1 206 . 1 1 17 17 LEU HA H 1 3.98 0.03 . 1 . . . . 135 LEU HA . 15569 1 207 . 1 1 17 17 LEU HB3 H 1 1.62 0.03 . 2 . . . . 135 LEU HB3 . 15569 1 208 . 1 1 17 17 LEU HD11 H 1 0.80 0.03 . 2 . . . . 135 LEU HD1 . 15569 1 209 . 1 1 17 17 LEU HD12 H 1 0.80 0.03 . 2 . . . . 135 LEU HD1 . 15569 1 210 . 1 1 17 17 LEU HD13 H 1 0.80 0.03 . 2 . . . . 135 LEU HD1 . 15569 1 211 . 1 1 17 17 LEU HD21 H 1 0.80 0.03 . 2 . . . . 135 LEU HD2 . 15569 1 212 . 1 1 17 17 LEU HD22 H 1 0.80 0.03 . 2 . . . . 135 LEU HD2 . 15569 1 213 . 1 1 17 17 LEU HD23 H 1 0.80 0.03 . 2 . . . . 135 LEU HD2 . 15569 1 214 . 1 1 17 17 LEU HG H 1 1.54 0.03 . 1 . . . . 135 LEU HG . 15569 1 215 . 1 1 17 17 LEU C C 13 180.46 0.20 . 1 . . . . 135 LEU C . 15569 1 216 . 1 1 17 17 LEU CA C 13 57.52 0.20 . 1 . . . . 135 LEU CA . 15569 1 217 . 1 1 17 17 LEU CB C 13 42.61 0.20 . 1 . . . . 135 LEU CB . 15569 1 218 . 1 1 17 17 LEU CD1 C 13 24.36 0.20 . 2 . . . . 135 LEU CD1 . 15569 1 219 . 1 1 17 17 LEU CD2 C 13 24.36 0.20 . 2 . . . . 135 LEU CD2 . 15569 1 220 . 1 1 17 17 LEU CG C 13 26.94 0.20 . 1 . . . . 135 LEU CG . 15569 1 221 . 1 1 17 17 LEU N N 15 118.09 0.30 . 1 . . . . 135 LEU N . 15569 1 222 . 1 1 18 18 GLN H H 1 8.02 0.03 . 1 . . . . 136 GLN H . 15569 1 223 . 1 1 18 18 GLN HA H 1 3.81 0.03 . 1 . . . . 136 GLN HA . 15569 1 224 . 1 1 18 18 GLN HB2 H 1 1.40 0.03 . 2 . . . . 136 GLN HB2 . 15569 1 225 . 1 1 18 18 GLN HB3 H 1 1.54 0.03 . 2 . . . . 136 GLN HB3 . 15569 1 226 . 1 1 18 18 GLN HE21 H 1 7.35 0.03 . 2 . . . . 136 GLN HE21 . 15569 1 227 . 1 1 18 18 GLN HE22 H 1 7.21 0.03 . 2 . . . . 136 GLN HE22 . 15569 1 228 . 1 1 18 18 GLN HG3 H 1 1.84 0.03 . 2 . . . . 136 GLN HG3 . 15569 1 229 . 1 1 18 18 GLN C C 13 177.39 0.20 . 1 . . . . 136 GLN C . 15569 1 230 . 1 1 18 18 GLN CA C 13 58.37 0.20 . 1 . . . . 136 GLN CA . 15569 1 231 . 1 1 18 18 GLN CB C 13 28.20 0.20 . 1 . . . . 136 GLN CB . 15569 1 232 . 1 1 18 18 GLN CG C 13 34.07 0.20 . 1 . . . . 136 GLN CG . 15569 1 233 . 1 1 18 18 GLN N N 15 118.08 0.30 . 1 . . . . 136 GLN N . 15569 1 234 . 1 1 18 18 GLN NE2 N 15 113.82 0.30 . 1 . . . . 136 GLN NE2 . 15569 1 235 . 1 1 19 19 PHE H H 1 7.54 0.03 . 1 . . . . 137 PHE H . 15569 1 236 . 1 1 19 19 PHE HA H 1 4.84 0.03 . 1 . . . . 137 PHE HA . 15569 1 237 . 1 1 19 19 PHE HB2 H 1 2.43 0.03 . 2 . . . . 137 PHE HB2 . 15569 1 238 . 1 1 19 19 PHE HB3 H 1 3.71 0.03 . 2 . . . . 137 PHE HB3 . 15569 1 239 . 1 1 19 19 PHE HD1 H 1 7.20 0.03 . 3 . . . . 137 PHE HD1 . 15569 1 240 . 1 1 19 19 PHE HE1 H 1 6.71 0.03 . 3 . . . . 137 PHE HE1 . 15569 1 241 . 1 1 19 19 PHE HZ H 1 6.43 0.03 . 1 . . . . 137 PHE HZ . 15569 1 242 . 1 1 19 19 PHE C C 13 177.72 0.20 . 1 . . . . 137 PHE C . 15569 1 243 . 1 1 19 19 PHE CA C 13 57.83 0.20 . 1 . . . . 137 PHE CA . 15569 1 244 . 1 1 19 19 PHE CB C 13 37.52 0.20 . 1 . . . . 137 PHE CB . 15569 1 245 . 1 1 19 19 PHE CD1 C 13 131.63 0.20 . 1 . . . . 137 PHE CD1 . 15569 1 246 . 1 1 19 19 PHE CE1 C 13 131.10 0.20 . 1 . . . . 137 PHE CE1 . 15569 1 247 . 1 1 19 19 PHE CG C 13 140.50 0.20 . 1 . . . . 137 PHE CG . 15569 1 248 . 1 1 19 19 PHE CZ C 13 127.99 0.20 . 1 . . . . 137 PHE CZ . 15569 1 249 . 1 1 19 19 PHE N N 15 114.52 0.30 . 1 . . . . 137 PHE N . 15569 1 250 . 1 1 20 20 GLY H H 1 7.64 0.03 . 1 . . . . 138 GLY H . 15569 1 251 . 1 1 20 20 GLY HA2 H 1 3.74 0.03 . 2 . . . . 138 GLY HA2 . 15569 1 252 . 1 1 20 20 GLY HA3 H 1 3.97 0.03 . 2 . . . . 138 GLY HA3 . 15569 1 253 . 1 1 20 20 GLY C C 13 175.63 0.20 . 1 . . . . 138 GLY C . 15569 1 254 . 1 1 20 20 GLY CA C 13 48.32 0.20 . 1 . . . . 138 GLY CA . 15569 1 255 . 1 1 20 20 GLY N N 15 111.08 0.30 . 1 . . . . 138 GLY N . 15569 1 256 . 1 1 21 21 SER H H 1 8.42 0.03 . 1 . . . . 139 SER H . 15569 1 257 . 1 1 21 21 SER HA H 1 4.61 0.03 . 1 . . . . 139 SER HA . 15569 1 258 . 1 1 21 21 SER HB2 H 1 3.94 0.03 . 2 . . . . 139 SER HB2 . 15569 1 259 . 1 1 21 21 SER HB3 H 1 4.07 0.03 . 2 . . . . 139 SER HB3 . 15569 1 260 . 1 1 21 21 SER C C 13 174.20 0.20 . 1 . . . . 139 SER C . 15569 1 261 . 1 1 21 21 SER CA C 13 58.42 0.20 . 1 . . . . 139 SER CA . 15569 1 262 . 1 1 21 21 SER CB C 13 63.72 0.20 . 1 . . . . 139 SER CB . 15569 1 263 . 1 1 21 21 SER N N 15 112.13 0.30 . 1 . . . . 139 SER N . 15569 1 264 . 1 1 22 22 GLN H H 1 7.82 0.03 . 1 . . . . 140 GLN H . 15569 1 265 . 1 1 22 22 GLN HA H 1 4.96 0.03 . 1 . . . . 140 GLN HA . 15569 1 266 . 1 1 22 22 GLN HB2 H 1 2.14 0.03 . 2 . . . . 140 GLN HB2 . 15569 1 267 . 1 1 22 22 GLN HB3 H 1 2.36 0.03 . 2 . . . . 140 GLN HB3 . 15569 1 268 . 1 1 22 22 GLN HE21 H 1 7.68 0.03 . 2 . . . . 140 GLN HE21 . 15569 1 269 . 1 1 22 22 GLN HE22 H 1 7.01 0.03 . 2 . . . . 140 GLN HE22 . 15569 1 270 . 1 1 22 22 GLN HG3 H 1 2.39 0.03 . 2 . . . . 140 GLN HG3 . 15569 1 271 . 1 1 22 22 GLN CA C 13 53.83 0.20 . 1 . . . . 140 GLN CA . 15569 1 272 . 1 1 22 22 GLN CB C 13 31.09 0.20 . 1 . . . . 140 GLN CB . 15569 1 273 . 1 1 22 22 GLN CG C 13 34.10 0.20 . 1 . . . . 140 GLN CG . 15569 1 274 . 1 1 22 22 GLN N N 15 121.48 0.30 . 1 . . . . 140 GLN N . 15569 1 275 . 1 1 22 22 GLN NE2 N 15 111.43 0.30 . 1 . . . . 140 GLN NE2 . 15569 1 276 . 1 1 23 23 PRO HA H 1 4.35 0.03 . 1 . . . . 141 PRO HA . 15569 1 277 . 1 1 23 23 PRO HB2 H 1 2.07 0.03 . 2 . . . . 141 PRO HB2 . 15569 1 278 . 1 1 23 23 PRO HB3 H 1 2.39 0.03 . 2 . . . . 141 PRO HB3 . 15569 1 279 . 1 1 23 23 PRO HD2 H 1 3.43 0.03 . 2 . . . . 141 PRO HD2 . 15569 1 280 . 1 1 23 23 PRO HD3 H 1 3.74 0.03 . 2 . . . . 141 PRO HD3 . 15569 1 281 . 1 1 23 23 PRO HG3 H 1 2.06 0.03 . 2 . . . . 141 PRO HG3 . 15569 1 282 . 1 1 23 23 PRO C C 13 178.14 0.20 . 1 . . . . 141 PRO C . 15569 1 283 . 1 1 23 23 PRO CA C 13 65.37 0.20 . 1 . . . . 141 PRO CA . 15569 1 284 . 1 1 23 23 PRO CB C 13 31.85 0.20 . 1 . . . . 141 PRO CB . 15569 1 285 . 1 1 23 23 PRO CD C 13 50.60 0.20 . 1 . . . . 141 PRO CD . 15569 1 286 . 1 1 23 23 PRO CG C 13 27.53 0.20 . 1 . . . . 141 PRO CG . 15569 1 287 . 1 1 24 24 GLN H H 1 8.90 0.03 . 1 . . . . 142 GLN H . 15569 1 288 . 1 1 24 24 GLN HA H 1 4.05 0.03 . 1 . . . . 142 GLN HA . 15569 1 289 . 1 1 24 24 GLN HB2 H 1 1.99 0.03 . 2 . . . . 142 GLN HB2 . 15569 1 290 . 1 1 24 24 GLN HB3 H 1 2.18 0.03 . 2 . . . . 142 GLN HB3 . 15569 1 291 . 1 1 24 24 GLN HE21 H 1 8.01 0.03 . 2 . . . . 142 GLN HE21 . 15569 1 292 . 1 1 24 24 GLN HE22 H 1 7.03 0.03 . 2 . . . . 142 GLN HE22 . 15569 1 293 . 1 1 24 24 GLN HG2 H 1 2.42 0.03 . 2 . . . . 142 GLN HG2 . 15569 1 294 . 1 1 24 24 GLN HG3 H 1 2.50 0.03 . 2 . . . . 142 GLN HG3 . 15569 1 295 . 1 1 24 24 GLN C C 13 177.80 0.20 . 1 . . . . 142 GLN C . 15569 1 296 . 1 1 24 24 GLN CA C 13 58.36 0.20 . 1 . . . . 142 GLN CA . 15569 1 297 . 1 1 24 24 GLN CB C 13 28.16 0.20 . 1 . . . . 142 GLN CB . 15569 1 298 . 1 1 24 24 GLN CG C 13 33.47 0.20 . 1 . . . . 142 GLN CG . 15569 1 299 . 1 1 24 24 GLN N N 15 118.39 0.30 . 1 . . . . 142 GLN N . 15569 1 300 . 1 1 24 24 GLN NE2 N 15 115.59 0.30 . 1 . . . . 142 GLN NE2 . 15569 1 301 . 1 1 25 25 VAL H H 1 7.82 0.03 . 1 . . . . 143 VAL H . 15569 1 302 . 1 1 25 25 VAL HA H 1 3.59 0.03 . 1 . . . . 143 VAL HA . 15569 1 303 . 1 1 25 25 VAL HB H 1 1.68 0.03 . 1 . . . . 143 VAL HB . 15569 1 304 . 1 1 25 25 VAL HG11 H 1 -0.06 0.03 . 1 . . . . 143 VAL HG1 . 15569 1 305 . 1 1 25 25 VAL HG12 H 1 -0.06 0.03 . 1 . . . . 143 VAL HG1 . 15569 1 306 . 1 1 25 25 VAL HG13 H 1 -0.06 0.03 . 1 . . . . 143 VAL HG1 . 15569 1 307 . 1 1 25 25 VAL HG21 H 1 0.92 0.03 . 1 . . . . 143 VAL HG2 . 15569 1 308 . 1 1 25 25 VAL HG22 H 1 0.92 0.03 . 1 . . . . 143 VAL HG2 . 15569 1 309 . 1 1 25 25 VAL HG23 H 1 0.92 0.03 . 1 . . . . 143 VAL HG2 . 15569 1 310 . 1 1 25 25 VAL C C 13 178.04 0.20 . 1 . . . . 143 VAL C . 15569 1 311 . 1 1 25 25 VAL CA C 13 66.45 0.20 . 1 . . . . 143 VAL CA . 15569 1 312 . 1 1 25 25 VAL CB C 13 31.88 0.20 . 1 . . . . 143 VAL CB . 15569 1 313 . 1 1 25 25 VAL CG1 C 13 19.70 0.20 . 1 . . . . 143 VAL CG1 . 15569 1 314 . 1 1 25 25 VAL CG2 C 13 22.26 0.20 . 1 . . . . 143 VAL CG2 . 15569 1 315 . 1 1 25 25 VAL N N 15 118.95 0.30 . 1 . . . . 143 VAL N . 15569 1 316 . 1 1 26 26 TYR H H 1 7.13 0.03 . 1 . . . . 144 TYR H . 15569 1 317 . 1 1 26 26 TYR HA H 1 4.04 0.03 . 1 . . . . 144 TYR HA . 15569 1 318 . 1 1 26 26 TYR HB2 H 1 3.00 0.03 . 2 . . . . 144 TYR HB2 . 15569 1 319 . 1 1 26 26 TYR HB3 H 1 3.11 0.03 . 2 . . . . 144 TYR HB3 . 15569 1 320 . 1 1 26 26 TYR HD1 H 1 6.99 0.03 . 3 . . . . 144 TYR HD1 . 15569 1 321 . 1 1 26 26 TYR HE1 H 1 6.85 0.03 . 3 . . . . 144 TYR HE1 . 15569 1 322 . 1 1 26 26 TYR C C 13 176.83 0.20 . 1 . . . . 144 TYR C . 15569 1 323 . 1 1 26 26 TYR CA C 13 61.72 0.20 . 1 . . . . 144 TYR CA . 15569 1 324 . 1 1 26 26 TYR CB C 13 38.84 0.20 . 1 . . . . 144 TYR CB . 15569 1 325 . 1 1 26 26 TYR CD1 C 13 132.47 0.20 . 1 . . . . 144 TYR CD1 . 15569 1 326 . 1 1 26 26 TYR CE1 C 13 118.47 0.20 . 1 . . . . 144 TYR CE1 . 15569 1 327 . 1 1 26 26 TYR N N 15 118.09 0.30 . 1 . . . . 144 TYR N . 15569 1 328 . 1 1 27 27 ASN H H 1 7.94 0.03 . 1 . . . . 145 ASN H . 15569 1 329 . 1 1 27 27 ASN HA H 1 4.20 0.03 . 1 . . . . 145 ASN HA . 15569 1 330 . 1 1 27 27 ASN HB2 H 1 2.76 0.03 . 2 . . . . 145 ASN HB2 . 15569 1 331 . 1 1 27 27 ASN HB3 H 1 2.89 0.03 . 2 . . . . 145 ASN HB3 . 15569 1 332 . 1 1 27 27 ASN HD21 H 1 7.45 0.03 . 2 . . . . 145 ASN HD21 . 15569 1 333 . 1 1 27 27 ASN HD22 H 1 6.96 0.03 . 2 . . . . 145 ASN HD22 . 15569 1 334 . 1 1 27 27 ASN C C 13 178.09 0.20 . 1 . . . . 145 ASN C . 15569 1 335 . 1 1 27 27 ASN CA C 13 56.59 0.20 . 1 . . . . 145 ASN CA . 15569 1 336 . 1 1 27 27 ASN CB C 13 38.12 0.20 . 1 . . . . 145 ASN CB . 15569 1 337 . 1 1 27 27 ASN N N 15 116.54 0.30 . 1 . . . . 145 ASN N . 15569 1 338 . 1 1 27 27 ASN ND2 N 15 111.75 0.30 . 1 . . . . 145 ASN ND2 . 15569 1 339 . 1 1 28 28 ASP H H 1 8.65 0.03 . 1 . . . . 146 ASP H . 15569 1 340 . 1 1 28 28 ASP HA H 1 4.32 0.03 . 1 . . . . 146 ASP HA . 15569 1 341 . 1 1 28 28 ASP HB2 H 1 2.49 0.03 . 2 . . . . 146 ASP HB2 . 15569 1 342 . 1 1 28 28 ASP HB3 H 1 2.92 0.03 . 2 . . . . 146 ASP HB3 . 15569 1 343 . 1 1 28 28 ASP C C 13 179.29 0.20 . 1 . . . . 146 ASP C . 15569 1 344 . 1 1 28 28 ASP CA C 13 57.36 0.20 . 1 . . . . 146 ASP CA . 15569 1 345 . 1 1 28 28 ASP CB C 13 39.99 0.20 . 1 . . . . 146 ASP CB . 15569 1 346 . 1 1 28 28 ASP N N 15 121.88 0.30 . 1 . . . . 146 ASP N . 15569 1 347 . 1 1 29 29 PHE H H 1 8.36 0.03 . 1 . . . . 147 PHE H . 15569 1 348 . 1 1 29 29 PHE HA H 1 3.88 0.03 . 1 . . . . 147 PHE HA . 15569 1 349 . 1 1 29 29 PHE HB2 H 1 3.03 0.03 . 2 . . . . 147 PHE HB2 . 15569 1 350 . 1 1 29 29 PHE HB3 H 1 3.31 0.03 . 2 . . . . 147 PHE HB3 . 15569 1 351 . 1 1 29 29 PHE HD1 H 1 6.80 0.03 . 3 . . . . 147 PHE HD1 . 15569 1 352 . 1 1 29 29 PHE HE1 H 1 7.24 0.03 . 3 . . . . 147 PHE HE1 . 15569 1 353 . 1 1 29 29 PHE HZ H 1 7.45 0.03 . 1 . . . . 147 PHE HZ . 15569 1 354 . 1 1 29 29 PHE C C 13 176.68 0.20 . 1 . . . . 147 PHE C . 15569 1 355 . 1 1 29 29 PHE CA C 13 61.51 0.20 . 1 . . . . 147 PHE CA . 15569 1 356 . 1 1 29 29 PHE CB C 13 38.34 0.20 . 1 . . . . 147 PHE CB . 15569 1 357 . 1 1 29 29 PHE CD1 C 13 131.69 0.20 . 1 . . . . 147 PHE CD1 . 15569 1 358 . 1 1 29 29 PHE CE1 C 13 130.80 0.20 . 1 . . . . 147 PHE CE1 . 15569 1 359 . 1 1 29 29 PHE CG C 13 138.00 0.20 . 1 . . . . 147 PHE CG . 15569 1 360 . 1 1 29 29 PHE CZ C 13 130.20 0.20 . 1 . . . . 147 PHE CZ . 15569 1 361 . 1 1 29 29 PHE N N 15 122.60 0.30 . 1 . . . . 147 PHE N . 15569 1 362 . 1 1 30 30 LEU H H 1 8.05 0.03 . 1 . . . . 148 LEU H . 15569 1 363 . 1 1 30 30 LEU HA H 1 3.58 0.03 . 1 . . . . 148 LEU HA . 15569 1 364 . 1 1 30 30 LEU HB2 H 1 1.25 0.03 . 2 . . . . 148 LEU HB2 . 15569 1 365 . 1 1 30 30 LEU HB3 H 1 1.90 0.03 . 2 . . . . 148 LEU HB3 . 15569 1 366 . 1 1 30 30 LEU HD11 H 1 0.73 0.03 . 2 . . . . 148 LEU HD1 . 15569 1 367 . 1 1 30 30 LEU HD12 H 1 0.73 0.03 . 2 . . . . 148 LEU HD1 . 15569 1 368 . 1 1 30 30 LEU HD13 H 1 0.73 0.03 . 2 . . . . 148 LEU HD1 . 15569 1 369 . 1 1 30 30 LEU HD21 H 1 0.73 0.03 . 2 . . . . 148 LEU HD2 . 15569 1 370 . 1 1 30 30 LEU HD22 H 1 0.73 0.03 . 2 . . . . 148 LEU HD2 . 15569 1 371 . 1 1 30 30 LEU HD23 H 1 0.73 0.03 . 2 . . . . 148 LEU HD2 . 15569 1 372 . 1 1 30 30 LEU HG H 1 1.43 0.03 . 1 . . . . 148 LEU HG . 15569 1 373 . 1 1 30 30 LEU C C 13 180.99 0.20 . 1 . . . . 148 LEU C . 15569 1 374 . 1 1 30 30 LEU CA C 13 57.93 0.20 . 1 . . . . 148 LEU CA . 15569 1 375 . 1 1 30 30 LEU CB C 13 40.97 0.20 . 1 . . . . 148 LEU CB . 15569 1 376 . 1 1 30 30 LEU CD1 C 13 25.69 0.20 . 2 . . . . 148 LEU CD1 . 15569 1 377 . 1 1 30 30 LEU CD2 C 13 21.93 0.20 . 2 . . . . 148 LEU CD2 . 15569 1 378 . 1 1 30 30 LEU CG C 13 26.27 0.20 . 1 . . . . 148 LEU CG . 15569 1 379 . 1 1 30 30 LEU N N 15 118.84 0.30 . 1 . . . . 148 LEU N . 15569 1 380 . 1 1 31 31 ASP H H 1 7.96 0.03 . 1 . . . . 149 ASP H . 15569 1 381 . 1 1 31 31 ASP HA H 1 4.40 0.03 . 1 . . . . 149 ASP HA . 15569 1 382 . 1 1 31 31 ASP HB2 H 1 2.66 0.03 . 2 . . . . 149 ASP HB2 . 15569 1 383 . 1 1 31 31 ASP HB3 H 1 2.80 0.03 . 2 . . . . 149 ASP HB3 . 15569 1 384 . 1 1 31 31 ASP C C 13 179.14 0.20 . 1 . . . . 149 ASP C . 15569 1 385 . 1 1 31 31 ASP CA C 13 57.71 0.20 . 1 . . . . 149 ASP CA . 15569 1 386 . 1 1 31 31 ASP CB C 13 40.20 0.20 . 1 . . . . 149 ASP CB . 15569 1 387 . 1 1 31 31 ASP N N 15 120.59 0.30 . 1 . . . . 149 ASP N . 15569 1 388 . 1 1 32 32 ILE H H 1 7.86 0.03 . 1 . . . . 150 ILE H . 15569 1 389 . 1 1 32 32 ILE HA H 1 3.59 0.03 . 1 . . . . 150 ILE HA . 15569 1 390 . 1 1 32 32 ILE HB H 1 1.72 0.03 . 1 . . . . 150 ILE HB . 15569 1 391 . 1 1 32 32 ILE HD11 H 1 0.63 0.03 . 1 . . . . 150 ILE HD1 . 15569 1 392 . 1 1 32 32 ILE HD12 H 1 0.63 0.03 . 1 . . . . 150 ILE HD1 . 15569 1 393 . 1 1 32 32 ILE HD13 H 1 0.63 0.03 . 1 . . . . 150 ILE HD1 . 15569 1 394 . 1 1 32 32 ILE HG12 H 1 0.73 0.03 . 2 . . . . 150 ILE HG12 . 15569 1 395 . 1 1 32 32 ILE HG13 H 1 1.78 0.03 . 2 . . . . 150 ILE HG13 . 15569 1 396 . 1 1 32 32 ILE HG21 H 1 0.63 0.03 . 1 . . . . 150 ILE HG2 . 15569 1 397 . 1 1 32 32 ILE HG22 H 1 0.63 0.03 . 1 . . . . 150 ILE HG2 . 15569 1 398 . 1 1 32 32 ILE HG23 H 1 0.63 0.03 . 1 . . . . 150 ILE HG2 . 15569 1 399 . 1 1 32 32 ILE C C 13 178.40 0.20 . 1 . . . . 150 ILE C . 15569 1 400 . 1 1 32 32 ILE CA C 13 65.35 0.20 . 1 . . . . 150 ILE CA . 15569 1 401 . 1 1 32 32 ILE CB C 13 38.16 0.20 . 1 . . . . 150 ILE CB . 15569 1 402 . 1 1 32 32 ILE CD1 C 13 14.99 0.20 . 1 . . . . 150 ILE CD1 . 15569 1 403 . 1 1 32 32 ILE CG1 C 13 29.41 0.20 . 1 . . . . 150 ILE CG1 . 15569 1 404 . 1 1 32 32 ILE CG2 C 13 18.45 0.20 . 1 . . . . 150 ILE CG2 . 15569 1 405 . 1 1 32 32 ILE N N 15 122.52 0.30 . 1 . . . . 150 ILE N . 15569 1 406 . 1 1 33 33 MET H H 1 7.77 0.03 . 1 . . . . 151 MET H . 15569 1 407 . 1 1 33 33 MET HA H 1 4.45 0.03 . 1 . . . . 151 MET HA . 15569 1 408 . 1 1 33 33 MET HB3 H 1 1.94 0.03 . 2 . . . . 151 MET HB3 . 15569 1 409 . 1 1 33 33 MET HE1 H 1 1.83 0.03 . 1 . . . . 151 MET HE . 15569 1 410 . 1 1 33 33 MET HE2 H 1 1.83 0.03 . 1 . . . . 151 MET HE . 15569 1 411 . 1 1 33 33 MET HE3 H 1 1.83 0.03 . 1 . . . . 151 MET HE . 15569 1 412 . 1 1 33 33 MET HG2 H 1 1.67 0.03 . 2 . . . . 151 MET HG2 . 15569 1 413 . 1 1 33 33 MET HG3 H 1 2.20 0.03 . 2 . . . . 151 MET HG3 . 15569 1 414 . 1 1 33 33 MET C C 13 179.90 0.20 . 1 . . . . 151 MET C . 15569 1 415 . 1 1 33 33 MET CA C 13 56.52 0.20 . 1 . . . . 151 MET CA . 15569 1 416 . 1 1 33 33 MET CB C 13 30.09 0.20 . 1 . . . . 151 MET CB . 15569 1 417 . 1 1 33 33 MET CE C 13 16.09 0.20 . 1 . . . . 151 MET CE . 15569 1 418 . 1 1 33 33 MET CG C 13 31.82 0.20 . 1 . . . . 151 MET CG . 15569 1 419 . 1 1 33 33 MET N N 15 116.94 0.30 . 1 . . . . 151 MET N . 15569 1 420 . 1 1 34 34 LYS H H 1 8.02 0.03 . 1 . . . . 152 LYS H . 15569 1 421 . 1 1 34 34 LYS HA H 1 4.06 0.03 . 1 . . . . 152 LYS HA . 15569 1 422 . 1 1 34 34 LYS HB3 H 1 1.99 0.03 . 2 . . . . 152 LYS HB3 . 15569 1 423 . 1 1 34 34 LYS HD3 H 1 1.69 0.03 . 2 . . . . 152 LYS HD3 . 15569 1 424 . 1 1 34 34 LYS HE3 H 1 2.93 0.03 . 2 . . . . 152 LYS HE3 . 15569 1 425 . 1 1 34 34 LYS HG2 H 1 1.39 0.03 . 2 . . . . 152 LYS HG2 . 15569 1 426 . 1 1 34 34 LYS HG3 H 1 1.61 0.03 . 2 . . . . 152 LYS HG3 . 15569 1 427 . 1 1 34 34 LYS C C 13 180.05 0.20 . 1 . . . . 152 LYS C . 15569 1 428 . 1 1 34 34 LYS CA C 13 59.99 0.20 . 1 . . . . 152 LYS CA . 15569 1 429 . 1 1 34 34 LYS CB C 13 32.38 0.20 . 1 . . . . 152 LYS CB . 15569 1 430 . 1 1 34 34 LYS CD C 13 29.64 0.20 . 1 . . . . 152 LYS CD . 15569 1 431 . 1 1 34 34 LYS CE C 13 40.85 0.20 . 1 . . . . 152 LYS CE . 15569 1 432 . 1 1 34 34 LYS CG C 13 25.10 0.20 . 1 . . . . 152 LYS CG . 15569 1 433 . 1 1 34 34 LYS N N 15 121.98 0.30 . 1 . . . . 152 LYS N . 15569 1 434 . 1 1 35 35 GLU H H 1 7.95 0.03 . 1 . . . . 153 GLU H . 15569 1 435 . 1 1 35 35 GLU HA H 1 4.06 0.03 . 1 . . . . 153 GLU HA . 15569 1 436 . 1 1 35 35 GLU HB2 H 1 2.01 0.03 . 2 . . . . 153 GLU HB2 . 15569 1 437 . 1 1 35 35 GLU HB3 H 1 2.20 0.03 . 2 . . . . 153 GLU HB3 . 15569 1 438 . 1 1 35 35 GLU HG3 H 1 2.42 0.03 . 2 . . . . 153 GLU HG3 . 15569 1 439 . 1 1 35 35 GLU C C 13 179.02 0.20 . 1 . . . . 153 GLU C . 15569 1 440 . 1 1 35 35 GLU CA C 13 59.37 0.20 . 1 . . . . 153 GLU CA . 15569 1 441 . 1 1 35 35 GLU CB C 13 29.34 0.20 . 1 . . . . 153 GLU CB . 15569 1 442 . 1 1 35 35 GLU CG C 13 36.60 0.20 . 1 . . . . 153 GLU CG . 15569 1 443 . 1 1 35 35 GLU N N 15 120.83 0.30 . 1 . . . . 153 GLU N . 15569 1 444 . 1 1 36 36 PHE H H 1 8.48 0.03 . 1 . . . . 154 PHE H . 15569 1 445 . 1 1 36 36 PHE HA H 1 4.47 0.03 . 1 . . . . 154 PHE HA . 15569 1 446 . 1 1 36 36 PHE HB2 H 1 3.09 0.03 . 2 . . . . 154 PHE HB2 . 15569 1 447 . 1 1 36 36 PHE HB3 H 1 3.28 0.03 . 2 . . . . 154 PHE HB3 . 15569 1 448 . 1 1 36 36 PHE HD1 H 1 7.21 0.03 . 3 . . . . 154 PHE HD1 . 15569 1 449 . 1 1 36 36 PHE HE1 H 1 7.30 0.03 . 3 . . . . 154 PHE HE1 . 15569 1 450 . 1 1 36 36 PHE HZ H 1 7.30 0.03 . 1 . . . . 154 PHE HZ . 15569 1 451 . 1 1 36 36 PHE C C 13 179.50 0.20 . 1 . . . . 154 PHE C . 15569 1 452 . 1 1 36 36 PHE CA C 13 60.08 0.20 . 1 . . . . 154 PHE CA . 15569 1 453 . 1 1 36 36 PHE CB C 13 39.68 0.20 . 1 . . . . 154 PHE CB . 15569 1 454 . 1 1 36 36 PHE CD1 C 13 131.46 0.20 . 1 . . . . 154 PHE CD1 . 15569 1 455 . 1 1 36 36 PHE CE1 C 13 131.40 0.20 . 1 . . . . 154 PHE CE1 . 15569 1 456 . 1 1 36 36 PHE CG C 13 137.14 0.20 . 1 . . . . 154 PHE CG . 15569 1 457 . 1 1 36 36 PHE CZ C 13 130.60 0.20 . 1 . . . . 154 PHE CZ . 15569 1 458 . 1 1 36 36 PHE N N 15 120.43 0.30 . 1 . . . . 154 PHE N . 15569 1 459 . 1 1 37 37 LYS H H 1 8.61 0.03 . 1 . . . . 155 LYS H . 15569 1 460 . 1 1 37 37 LYS HA H 1 3.88 0.03 . 1 . . . . 155 LYS HA . 15569 1 461 . 1 1 37 37 LYS HB3 H 1 1.96 0.03 . 2 . . . . 155 LYS HB3 . 15569 1 462 . 1 1 37 37 LYS HD3 H 1 1.65 0.03 . 2 . . . . 155 LYS HD3 . 15569 1 463 . 1 1 37 37 LYS HE3 H 1 2.95 0.03 . 2 . . . . 155 LYS HE3 . 15569 1 464 . 1 1 37 37 LYS HG2 H 1 1.51 0.03 . 2 . . . . 155 LYS HG2 . 15569 1 465 . 1 1 37 37 LYS HG3 H 1 1.61 0.03 . 2 . . . . 155 LYS HG3 . 15569 1 466 . 1 1 37 37 LYS C C 13 178.26 0.20 . 1 . . . . 155 LYS C . 15569 1 467 . 1 1 37 37 LYS CA C 13 58.95 0.20 . 1 . . . . 155 LYS CA . 15569 1 468 . 1 1 37 37 LYS CB C 13 32.12 0.20 . 1 . . . . 155 LYS CB . 15569 1 469 . 1 1 37 37 LYS CD C 13 29.08 0.20 . 1 . . . . 155 LYS CD . 15569 1 470 . 1 1 37 37 LYS CE C 13 42.19 0.20 . 1 . . . . 155 LYS CE . 15569 1 471 . 1 1 37 37 LYS CG C 13 25.27 0.20 . 1 . . . . 155 LYS CG . 15569 1 472 . 1 1 37 37 LYS N N 15 121.40 0.30 . 1 . . . . 155 LYS N . 15569 1 473 . 1 1 38 38 SER H H 1 7.84 0.03 . 1 . . . . 156 SER H . 15569 1 474 . 1 1 38 38 SER HA H 1 4.40 0.03 . 1 . . . . 156 SER HA . 15569 1 475 . 1 1 38 38 SER HB2 H 1 3.92 0.03 . 2 . . . . 156 SER HB2 . 15569 1 476 . 1 1 38 38 SER HB3 H 1 4.08 0.03 . 2 . . . . 156 SER HB3 . 15569 1 477 . 1 1 38 38 SER C C 13 173.95 0.20 . 1 . . . . 156 SER C . 15569 1 478 . 1 1 38 38 SER CA C 13 58.85 0.20 . 1 . . . . 156 SER CA . 15569 1 479 . 1 1 38 38 SER CB C 13 63.79 0.20 . 1 . . . . 156 SER CB . 15569 1 480 . 1 1 38 38 SER N N 15 112.57 0.30 . 1 . . . . 156 SER N . 15569 1 481 . 1 1 39 39 GLN H H 1 7.97 0.03 . 1 . . . . 157 GLN H . 15569 1 482 . 1 1 39 39 GLN HA H 1 4.12 0.03 . 1 . . . . 157 GLN HA . 15569 1 483 . 1 1 39 39 GLN HB2 H 1 2.24 0.03 . 2 . . . . 157 GLN HB2 . 15569 1 484 . 1 1 39 39 GLN HB3 H 1 2.32 0.03 . 2 . . . . 157 GLN HB3 . 15569 1 485 . 1 1 39 39 GLN HE21 H 1 7.48 0.03 . 2 . . . . 157 GLN HE21 . 15569 1 486 . 1 1 39 39 GLN HE22 H 1 6.71 0.03 . 2 . . . . 157 GLN HE22 . 15569 1 487 . 1 1 39 39 GLN HG2 H 1 2.17 0.03 . 2 . . . . 157 GLN HG2 . 15569 1 488 . 1 1 39 39 GLN HG3 H 1 2.22 0.03 . 2 . . . . 157 GLN HG3 . 15569 1 489 . 1 1 39 39 GLN C C 13 175.95 0.20 . 1 . . . . 157 GLN C . 15569 1 490 . 1 1 39 39 GLN CA C 13 57.38 0.20 . 1 . . . . 157 GLN CA . 15569 1 491 . 1 1 39 39 GLN CB C 13 26.18 0.20 . 1 . . . . 157 GLN CB . 15569 1 492 . 1 1 39 39 GLN CG C 13 34.53 0.20 . 1 . . . . 157 GLN CG . 15569 1 493 . 1 1 39 39 GLN N N 15 115.04 0.30 . 1 . . . . 157 GLN N . 15569 1 494 . 1 1 39 39 GLN NE2 N 15 112.27 0.30 . 1 . . . . 157 GLN NE2 . 15569 1 495 . 1 1 40 40 SER H H 1 8.43 0.03 . 1 . . . . 158 SER H . 15569 1 496 . 1 1 40 40 SER HA H 1 4.39 0.03 . 1 . . . . 158 SER HA . 15569 1 497 . 1 1 40 40 SER HB3 H 1 3.86 0.03 . 2 . . . . 158 SER HB3 . 15569 1 498 . 1 1 40 40 SER C C 13 174.16 0.20 . 1 . . . . 158 SER C . 15569 1 499 . 1 1 40 40 SER CA C 13 59.91 0.20 . 1 . . . . 158 SER CA . 15569 1 500 . 1 1 40 40 SER CB C 13 63.54 0.20 . 1 . . . . 158 SER CB . 15569 1 501 . 1 1 40 40 SER N N 15 114.43 0.30 . 1 . . . . 158 SER N . 15569 1 502 . 1 1 41 41 ILE H H 1 7.30 0.03 . 1 . . . . 159 ILE H . 15569 1 503 . 1 1 41 41 ILE HA H 1 4.49 0.03 . 1 . . . . 159 ILE HA . 15569 1 504 . 1 1 41 41 ILE HB H 1 1.77 0.03 . 1 . . . . 159 ILE HB . 15569 1 505 . 1 1 41 41 ILE HD11 H 1 0.75 0.03 . 1 . . . . 159 ILE HD1 . 15569 1 506 . 1 1 41 41 ILE HD12 H 1 0.75 0.03 . 1 . . . . 159 ILE HD1 . 15569 1 507 . 1 1 41 41 ILE HD13 H 1 0.75 0.03 . 1 . . . . 159 ILE HD1 . 15569 1 508 . 1 1 41 41 ILE HG12 H 1 1.01 0.03 . 2 . . . . 159 ILE HG12 . 15569 1 509 . 1 1 41 41 ILE HG13 H 1 1.50 0.03 . 2 . . . . 159 ILE HG13 . 15569 1 510 . 1 1 41 41 ILE HG21 H 1 0.85 0.03 . 1 . . . . 159 ILE HG2 . 15569 1 511 . 1 1 41 41 ILE HG22 H 1 0.85 0.03 . 1 . . . . 159 ILE HG2 . 15569 1 512 . 1 1 41 41 ILE HG23 H 1 0.85 0.03 . 1 . . . . 159 ILE HG2 . 15569 1 513 . 1 1 41 41 ILE C C 13 173.63 0.20 . 1 . . . . 159 ILE C . 15569 1 514 . 1 1 41 41 ILE CA C 13 59.88 0.20 . 1 . . . . 159 ILE CA . 15569 1 515 . 1 1 41 41 ILE CB C 13 41.64 0.20 . 1 . . . . 159 ILE CB . 15569 1 516 . 1 1 41 41 ILE CD1 C 13 14.28 0.20 . 1 . . . . 159 ILE CD1 . 15569 1 517 . 1 1 41 41 ILE CG1 C 13 26.20 0.20 . 1 . . . . 159 ILE CG1 . 15569 1 518 . 1 1 41 41 ILE CG2 C 13 16.72 0.20 . 1 . . . . 159 ILE CG2 . 15569 1 519 . 1 1 41 41 ILE N N 15 115.72 0.30 . 1 . . . . 159 ILE N . 15569 1 520 . 1 1 42 42 ASP H H 1 7.95 0.03 . 1 . . . . 160 ASP H . 15569 1 521 . 1 1 42 42 ASP HA H 1 4.88 0.03 . 1 . . . . 160 ASP HA . 15569 1 522 . 1 1 42 42 ASP HB2 H 1 2.80 0.03 . 2 . . . . 160 ASP HB2 . 15569 1 523 . 1 1 42 42 ASP HB3 H 1 3.19 0.03 . 2 . . . . 160 ASP HB3 . 15569 1 524 . 1 1 42 42 ASP C C 13 175.91 0.20 . 1 . . . . 160 ASP C . 15569 1 525 . 1 1 42 42 ASP CA C 13 52.19 0.20 . 1 . . . . 160 ASP CA . 15569 1 526 . 1 1 42 42 ASP CB C 13 41.79 0.20 . 1 . . . . 160 ASP CB . 15569 1 527 . 1 1 42 42 ASP N N 15 122.60 0.30 . 1 . . . . 160 ASP N . 15569 1 528 . 1 1 43 43 THR H H 1 8.67 0.03 . 1 . . . . 161 THR H . 15569 1 529 . 1 1 43 43 THR HA H 1 4.15 0.03 . 1 . . . . 161 THR HA . 15569 1 530 . 1 1 43 43 THR HB H 1 4.45 0.03 . 1 . . . . 161 THR HB . 15569 1 531 . 1 1 43 43 THR HG21 H 1 1.27 0.03 . 1 . . . . 161 THR HG2 . 15569 1 532 . 1 1 43 43 THR HG22 H 1 1.27 0.03 . 1 . . . . 161 THR HG2 . 15569 1 533 . 1 1 43 43 THR HG23 H 1 1.27 0.03 . 1 . . . . 161 THR HG2 . 15569 1 534 . 1 1 43 43 THR CA C 13 68.82 0.20 . 1 . . . . 161 THR CA . 15569 1 535 . 1 1 43 43 THR CB C 13 66.48 0.20 . 1 . . . . 161 THR CB . 15569 1 536 . 1 1 43 43 THR CG2 C 13 22.95 0.20 . 1 . . . . 161 THR CG2 . 15569 1 537 . 1 1 43 43 THR N N 15 115.21 0.30 . 1 . . . . 161 THR N . 15569 1 538 . 1 1 44 44 PRO HA H 1 4.22 0.03 . 1 . . . . 162 PRO HA . 15569 1 539 . 1 1 44 44 PRO HB2 H 1 1.84 0.03 . 2 . . . . 162 PRO HB2 . 15569 1 540 . 1 1 44 44 PRO HB3 H 1 2.25 0.03 . 2 . . . . 162 PRO HB3 . 15569 1 541 . 1 1 44 44 PRO HD2 H 1 3.68 0.03 . 2 . . . . 162 PRO HD2 . 15569 1 542 . 1 1 44 44 PRO HD3 H 1 3.82 0.03 . 2 . . . . 162 PRO HD3 . 15569 1 543 . 1 1 44 44 PRO HG2 H 1 1.95 0.03 . 2 . . . . 162 PRO HG2 . 15569 1 544 . 1 1 44 44 PRO HG3 H 1 2.17 0.03 . 2 . . . . 162 PRO HG3 . 15569 1 545 . 1 1 44 44 PRO C C 13 180.09 0.20 . 1 . . . . 162 PRO C . 15569 1 546 . 1 1 44 44 PRO CA C 13 66.04 0.20 . 1 . . . . 162 PRO CA . 15569 1 547 . 1 1 44 44 PRO CB C 13 30.58 0.20 . 1 . . . . 162 PRO CB . 15569 1 548 . 1 1 44 44 PRO CD C 13 49.49 0.20 . 1 . . . . 162 PRO CD . 15569 1 549 . 1 1 44 44 PRO CG C 13 28.15 0.20 . 1 . . . . 162 PRO CG . 15569 1 550 . 1 1 45 45 GLY H H 1 8.11 0.03 . 1 . . . . 163 GLY H . 15569 1 551 . 1 1 45 45 GLY HA2 H 1 3.78 0.03 . 2 . . . . 163 GLY HA2 . 15569 1 552 . 1 1 45 45 GLY HA3 H 1 3.86 0.03 . 2 . . . . 163 GLY HA3 . 15569 1 553 . 1 1 45 45 GLY C C 13 176.52 0.20 . 1 . . . . 163 GLY C . 15569 1 554 . 1 1 45 45 GLY CA C 13 47.33 0.20 . 1 . . . . 163 GLY CA . 15569 1 555 . 1 1 45 45 GLY N N 15 107.49 0.30 . 1 . . . . 163 GLY N . 15569 1 556 . 1 1 46 46 VAL H H 1 8.77 0.03 . 1 . . . . 164 VAL H . 15569 1 557 . 1 1 46 46 VAL HA H 1 3.65 0.03 . 1 . . . . 164 VAL HA . 15569 1 558 . 1 1 46 46 VAL HB H 1 1.96 0.03 . 1 . . . . 164 VAL HB . 15569 1 559 . 1 1 46 46 VAL HG11 H 1 0.78 0.03 . 2 . . . . 164 VAL HG1 . 15569 1 560 . 1 1 46 46 VAL HG12 H 1 0.78 0.03 . 2 . . . . 164 VAL HG1 . 15569 1 561 . 1 1 46 46 VAL HG13 H 1 0.78 0.03 . 2 . . . . 164 VAL HG1 . 15569 1 562 . 1 1 46 46 VAL HG21 H 1 0.78 0.03 . 2 . . . . 164 VAL HG2 . 15569 1 563 . 1 1 46 46 VAL HG22 H 1 0.78 0.03 . 2 . . . . 164 VAL HG2 . 15569 1 564 . 1 1 46 46 VAL HG23 H 1 0.78 0.03 . 2 . . . . 164 VAL HG2 . 15569 1 565 . 1 1 46 46 VAL C C 13 176.99 0.20 . 1 . . . . 164 VAL C . 15569 1 566 . 1 1 46 46 VAL CA C 13 66.28 0.20 . 1 . . . . 164 VAL CA . 15569 1 567 . 1 1 46 46 VAL CB C 13 31.60 0.20 . 1 . . . . 164 VAL CB . 15569 1 568 . 1 1 46 46 VAL CG1 C 13 21.33 0.20 . 2 . . . . 164 VAL CG1 . 15569 1 569 . 1 1 46 46 VAL CG2 C 13 24.12 0.20 . 2 . . . . 164 VAL CG2 . 15569 1 570 . 1 1 46 46 VAL N N 15 125.26 0.30 . 1 . . . . 164 VAL N . 15569 1 571 . 1 1 47 47 ILE H H 1 8.18 0.03 . 1 . . . . 165 ILE H . 15569 1 572 . 1 1 47 47 ILE HA H 1 3.51 0.03 . 1 . . . . 165 ILE HA . 15569 1 573 . 1 1 47 47 ILE HB H 1 1.86 0.03 . 1 . . . . 165 ILE HB . 15569 1 574 . 1 1 47 47 ILE HD11 H 1 0.85 0.03 . 1 . . . . 165 ILE HD1 . 15569 1 575 . 1 1 47 47 ILE HD12 H 1 0.85 0.03 . 1 . . . . 165 ILE HD1 . 15569 1 576 . 1 1 47 47 ILE HD13 H 1 0.85 0.03 . 1 . . . . 165 ILE HD1 . 15569 1 577 . 1 1 47 47 ILE HG12 H 1 1.17 0.03 . 2 . . . . 165 ILE HG12 . 15569 1 578 . 1 1 47 47 ILE HG13 H 1 1.81 0.03 . 2 . . . . 165 ILE HG13 . 15569 1 579 . 1 1 47 47 ILE HG21 H 1 0.93 0.03 . 1 . . . . 165 ILE HG2 . 15569 1 580 . 1 1 47 47 ILE HG22 H 1 0.93 0.03 . 1 . . . . 165 ILE HG2 . 15569 1 581 . 1 1 47 47 ILE HG23 H 1 0.93 0.03 . 1 . . . . 165 ILE HG2 . 15569 1 582 . 1 1 47 47 ILE C C 13 179.87 0.20 . 1 . . . . 165 ILE C . 15569 1 583 . 1 1 47 47 ILE CA C 13 65.98 0.20 . 1 . . . . 165 ILE CA . 15569 1 584 . 1 1 47 47 ILE CB C 13 38.10 0.20 . 1 . . . . 165 ILE CB . 15569 1 585 . 1 1 47 47 ILE CD1 C 13 13.56 0.20 . 1 . . . . 165 ILE CD1 . 15569 1 586 . 1 1 47 47 ILE CG1 C 13 30.01 0.20 . 1 . . . . 165 ILE CG1 . 15569 1 587 . 1 1 47 47 ILE CG2 C 13 16.86 0.20 . 1 . . . . 165 ILE CG2 . 15569 1 588 . 1 1 47 47 ILE N N 15 121.94 0.30 . 1 . . . . 165 ILE N . 15569 1 589 . 1 1 48 48 SER H H 1 8.18 0.03 . 1 . . . . 166 SER H . 15569 1 590 . 1 1 48 48 SER HA H 1 4.17 0.03 . 1 . . . . 166 SER HA . 15569 1 591 . 1 1 48 48 SER HB3 H 1 3.97 0.03 . 2 . . . . 166 SER HB3 . 15569 1 592 . 1 1 48 48 SER C C 13 177.71 0.20 . 1 . . . . 166 SER C . 15569 1 593 . 1 1 48 48 SER CA C 13 61.55 0.20 . 1 . . . . 166 SER CA . 15569 1 594 . 1 1 48 48 SER CB C 13 62.95 0.20 . 1 . . . . 166 SER CB . 15569 1 595 . 1 1 48 48 SER N N 15 115.86 0.30 . 1 . . . . 166 SER N . 15569 1 596 . 1 1 49 49 ARG H H 1 7.92 0.03 . 1 . . . . 167 ARG H . 15569 1 597 . 1 1 49 49 ARG HA H 1 3.98 0.03 . 1 . . . . 167 ARG HA . 15569 1 598 . 1 1 49 49 ARG HB2 H 1 1.71 0.03 . 2 . . . . 167 ARG HB2 . 15569 1 599 . 1 1 49 49 ARG HB3 H 1 1.76 0.03 . 2 . . . . 167 ARG HB3 . 15569 1 600 . 1 1 49 49 ARG HD3 H 1 3.07 0.03 . 2 . . . . 167 ARG HD3 . 15569 1 601 . 1 1 49 49 ARG HG2 H 1 1.65 0.03 . 2 . . . . 167 ARG HG2 . 15569 1 602 . 1 1 49 49 ARG HG3 H 1 1.76 0.03 . 2 . . . . 167 ARG HG3 . 15569 1 603 . 1 1 49 49 ARG C C 13 180.02 0.20 . 1 . . . . 167 ARG C . 15569 1 604 . 1 1 49 49 ARG CA C 13 59.04 0.20 . 1 . . . . 167 ARG CA . 15569 1 605 . 1 1 49 49 ARG CB C 13 30.18 0.20 . 1 . . . . 167 ARG CB . 15569 1 606 . 1 1 49 49 ARG CD C 13 42.88 0.20 . 1 . . . . 167 ARG CD . 15569 1 607 . 1 1 49 49 ARG CG C 13 27.28 0.20 . 1 . . . . 167 ARG CG . 15569 1 608 . 1 1 49 49 ARG N N 15 120.48 0.30 . 1 . . . . 167 ARG N . 15569 1 609 . 1 1 50 50 VAL H H 1 8.62 0.03 . 1 . . . . 168 VAL H . 15569 1 610 . 1 1 50 50 VAL HA H 1 2.96 0.03 . 1 . . . . 168 VAL HA . 15569 1 611 . 1 1 50 50 VAL HB H 1 1.51 0.03 . 1 . . . . 168 VAL HB . 15569 1 612 . 1 1 50 50 VAL HG11 H 1 0.17 0.03 . 1 . . . . 168 VAL HG1 . 15569 1 613 . 1 1 50 50 VAL HG12 H 1 0.17 0.03 . 1 . . . . 168 VAL HG1 . 15569 1 614 . 1 1 50 50 VAL HG13 H 1 0.17 0.03 . 1 . . . . 168 VAL HG1 . 15569 1 615 . 1 1 50 50 VAL HG21 H 1 0.28 0.03 . 1 . . . . 168 VAL HG2 . 15569 1 616 . 1 1 50 50 VAL HG22 H 1 0.28 0.03 . 1 . . . . 168 VAL HG2 . 15569 1 617 . 1 1 50 50 VAL HG23 H 1 0.28 0.03 . 1 . . . . 168 VAL HG2 . 15569 1 618 . 1 1 50 50 VAL C C 13 176.89 0.20 . 1 . . . . 168 VAL C . 15569 1 619 . 1 1 50 50 VAL CA C 13 67.18 0.20 . 1 . . . . 168 VAL CA . 15569 1 620 . 1 1 50 50 VAL CB C 13 31.48 0.20 . 1 . . . . 168 VAL CB . 15569 1 621 . 1 1 50 50 VAL CG1 C 13 20.93 0.20 . 1 . . . . 168 VAL CG1 . 15569 1 622 . 1 1 50 50 VAL CG2 C 13 23.44 0.20 . 1 . . . . 168 VAL CG2 . 15569 1 623 . 1 1 50 50 VAL N N 15 121.56 0.30 . 1 . . . . 168 VAL N . 15569 1 624 . 1 1 51 51 SER H H 1 8.15 0.03 . 1 . . . . 169 SER H . 15569 1 625 . 1 1 51 51 SER HA H 1 4.00 0.03 . 1 . . . . 169 SER HA . 15569 1 626 . 1 1 51 51 SER HB2 H 1 3.90 0.03 . 2 . . . . 169 SER HB2 . 15569 1 627 . 1 1 51 51 SER HB3 H 1 3.98 0.03 . 2 . . . . 169 SER HB3 . 15569 1 628 . 1 1 51 51 SER C C 13 176.06 0.20 . 1 . . . . 169 SER C . 15569 1 629 . 1 1 51 51 SER CA C 13 62.50 0.20 . 1 . . . . 169 SER CA . 15569 1 630 . 1 1 51 51 SER CB C 13 62.40 0.20 . 1 . . . . 169 SER CB . 15569 1 631 . 1 1 51 51 SER N N 15 115.00 0.30 . 1 . . . . 169 SER N . 15569 1 632 . 1 1 52 52 GLN H H 1 7.26 0.03 . 1 . . . . 170 GLN H . 15569 1 633 . 1 1 52 52 GLN HA H 1 4.16 0.03 . 1 . . . . 170 GLN HA . 15569 1 634 . 1 1 52 52 GLN HB3 H 1 2.07 0.03 . 2 . . . . 170 GLN HB3 . 15569 1 635 . 1 1 52 52 GLN HE21 H 1 7.43 0.03 . 2 . . . . 170 GLN HE21 . 15569 1 636 . 1 1 52 52 GLN HE22 H 1 6.88 0.03 . 2 . . . . 170 GLN HE22 . 15569 1 637 . 1 1 52 52 GLN HG3 H 1 2.41 0.03 . 2 . . . . 170 GLN HG3 . 15569 1 638 . 1 1 52 52 GLN C C 13 178.57 0.20 . 1 . . . . 170 GLN C . 15569 1 639 . 1 1 52 52 GLN CA C 13 58.05 0.20 . 1 . . . . 170 GLN CA . 15569 1 640 . 1 1 52 52 GLN CB C 13 28.79 0.20 . 1 . . . . 170 GLN CB . 15569 1 641 . 1 1 52 52 GLN CG C 13 33.74 0.20 . 1 . . . . 170 GLN CG . 15569 1 642 . 1 1 52 52 GLN N N 15 118.26 0.30 . 1 . . . . 170 GLN N . 15569 1 643 . 1 1 52 52 GLN NE2 N 15 112.25 0.30 . 1 . . . . 170 GLN NE2 . 15569 1 644 . 1 1 53 53 LEU H H 1 7.86 0.03 . 1 . . . . 171 LEU H . 15569 1 645 . 1 1 53 53 LEU HA H 1 3.99 0.03 . 1 . . . . 171 LEU HA . 15569 1 646 . 1 1 53 53 LEU HB2 H 1 1.19 0.03 . 2 . . . . 171 LEU HB2 . 15569 1 647 . 1 1 53 53 LEU HB3 H 1 1.25 0.03 . 2 . . . . 171 LEU HB3 . 15569 1 648 . 1 1 53 53 LEU HD11 H 1 0.87 0.03 . 2 . . . . 171 LEU HD1 . 15569 1 649 . 1 1 53 53 LEU HD12 H 1 0.87 0.03 . 2 . . . . 171 LEU HD1 . 15569 1 650 . 1 1 53 53 LEU HD13 H 1 0.87 0.03 . 2 . . . . 171 LEU HD1 . 15569 1 651 . 1 1 53 53 LEU HD21 H 1 0.61 0.03 . 2 . . . . 171 LEU HD2 . 15569 1 652 . 1 1 53 53 LEU HD22 H 1 0.61 0.03 . 2 . . . . 171 LEU HD2 . 15569 1 653 . 1 1 53 53 LEU HD23 H 1 0.61 0.03 . 2 . . . . 171 LEU HD2 . 15569 1 654 . 1 1 53 53 LEU HG H 1 1.35 0.03 . 1 . . . . 171 LEU HG . 15569 1 655 . 1 1 53 53 LEU C C 13 178.99 0.20 . 1 . . . . 171 LEU C . 15569 1 656 . 1 1 53 53 LEU CA C 13 57.52 0.20 . 1 . . . . 171 LEU CA . 15569 1 657 . 1 1 53 53 LEU CB C 13 42.77 0.20 . 1 . . . . 171 LEU CB . 15569 1 658 . 1 1 53 53 LEU CD1 C 13 23.98 0.20 . 2 . . . . 171 LEU CD1 . 15569 1 659 . 1 1 53 53 LEU CD2 C 13 25.27 0.20 . 2 . . . . 171 LEU CD2 . 15569 1 660 . 1 1 53 53 LEU CG C 13 26.35 0.20 . 1 . . . . 171 LEU CG . 15569 1 661 . 1 1 53 53 LEU N N 15 121.95 0.30 . 1 . . . . 171 LEU N . 15569 1 662 . 1 1 54 54 PHE H H 1 8.13 0.03 . 1 . . . . 172 PHE H . 15569 1 663 . 1 1 54 54 PHE HA H 1 5.02 0.03 . 1 . . . . 172 PHE HA . 15569 1 664 . 1 1 54 54 PHE HB2 H 1 2.98 0.03 . 2 . . . . 172 PHE HB2 . 15569 1 665 . 1 1 54 54 PHE HB3 H 1 3.69 0.03 . 2 . . . . 172 PHE HB3 . 15569 1 666 . 1 1 54 54 PHE HD1 H 1 6.57 0.03 . 3 . . . . 172 PHE HD1 . 15569 1 667 . 1 1 54 54 PHE HE1 H 1 6.80 0.03 . 3 . . . . 172 PHE HE1 . 15569 1 668 . 1 1 54 54 PHE HZ H 1 6.08 0.03 . 1 . . . . 172 PHE HZ . 15569 1 669 . 1 1 54 54 PHE C C 13 174.43 0.20 . 1 . . . . 172 PHE C . 15569 1 670 . 1 1 54 54 PHE CA C 13 52.64 0.20 . 1 . . . . 172 PHE CA . 15569 1 671 . 1 1 54 54 PHE CB C 13 37.39 0.20 . 1 . . . . 172 PHE CB . 15569 1 672 . 1 1 54 54 PHE CD1 C 13 129.27 0.20 . 1 . . . . 172 PHE CD1 . 15569 1 673 . 1 1 54 54 PHE CE1 C 13 131.02 0.20 . 1 . . . . 172 PHE CE1 . 15569 1 674 . 1 1 54 54 PHE CG C 13 138.20 0.20 . 1 . . . . 172 PHE CG . 15569 1 675 . 1 1 54 54 PHE CZ C 13 129.80 0.20 . 1 . . . . 172 PHE CZ . 15569 1 676 . 1 1 54 54 PHE N N 15 113.01 0.30 . 1 . . . . 172 PHE N . 15569 1 677 . 1 1 55 55 LYS H H 1 6.99 0.03 . 1 . . . . 173 LYS H . 15569 1 678 . 1 1 55 55 LYS HA H 1 4.08 0.03 . 1 . . . . 173 LYS HA . 15569 1 679 . 1 1 55 55 LYS HB2 H 1 1.89 0.03 . 2 . . . . 173 LYS HB2 . 15569 1 680 . 1 1 55 55 LYS HB3 H 1 2.09 0.03 . 2 . . . . 173 LYS HB3 . 15569 1 681 . 1 1 55 55 LYS HD3 H 1 1.76 0.03 . 2 . . . . 173 LYS HD3 . 15569 1 682 . 1 1 55 55 LYS HE3 H 1 3.03 0.03 . 2 . . . . 173 LYS HE3 . 15569 1 683 . 1 1 55 55 LYS HG2 H 1 1.48 0.03 . 2 . . . . 173 LYS HG2 . 15569 1 684 . 1 1 55 55 LYS HG3 H 1 1.52 0.03 . 2 . . . . 173 LYS HG3 . 15569 1 685 . 1 1 55 55 LYS C C 13 178.11 0.20 . 1 . . . . 173 LYS C . 15569 1 686 . 1 1 55 55 LYS CA C 13 59.05 0.20 . 1 . . . . 173 LYS CA . 15569 1 687 . 1 1 55 55 LYS CB C 13 32.54 0.20 . 1 . . . . 173 LYS CB . 15569 1 688 . 1 1 55 55 LYS CD C 13 29.47 0.20 . 1 . . . . 173 LYS CD . 15569 1 689 . 1 1 55 55 LYS CE C 13 41.68 0.20 . 1 . . . . 173 LYS CE . 15569 1 690 . 1 1 55 55 LYS CG C 13 24.17 0.20 . 1 . . . . 173 LYS CG . 15569 1 691 . 1 1 55 55 LYS N N 15 121.14 0.30 . 1 . . . . 173 LYS N . 15569 1 692 . 1 1 56 56 GLY H H 1 9.34 0.03 . 1 . . . . 174 GLY H . 15569 1 693 . 1 1 56 56 GLY HA2 H 1 3.75 0.03 . 2 . . . . 174 GLY HA2 . 15569 1 694 . 1 1 56 56 GLY HA3 H 1 4.27 0.03 . 2 . . . . 174 GLY HA3 . 15569 1 695 . 1 1 56 56 GLY C C 13 174.42 0.20 . 1 . . . . 174 GLY C . 15569 1 696 . 1 1 56 56 GLY CA C 13 44.69 0.20 . 1 . . . . 174 GLY CA . 15569 1 697 . 1 1 56 56 GLY N N 15 113.83 0.30 . 1 . . . . 174 GLY N . 15569 1 698 . 1 1 57 57 HIS H H 1 8.59 0.03 . 1 . . . . 175 HIS H . 15569 1 699 . 1 1 57 57 HIS HA H 1 5.13 0.03 . 1 . . . . 175 HIS HA . 15569 1 700 . 1 1 57 57 HIS HB2 H 1 3.00 0.03 . 2 . . . . 175 HIS HB2 . 15569 1 701 . 1 1 57 57 HIS HB3 H 1 3.52 0.03 . 2 . . . . 175 HIS HB3 . 15569 1 702 . 1 1 57 57 HIS HD2 H 1 7.28 0.03 . 1 . . . . 175 HIS HD2 . 15569 1 703 . 1 1 57 57 HIS HE1 H 1 8.21 0.03 . 1 . . . . 175 HIS HE1 . 15569 1 704 . 1 1 57 57 HIS CA C 13 52.93 0.20 . 1 . . . . 175 HIS CA . 15569 1 705 . 1 1 57 57 HIS CB C 13 28.16 0.20 . 1 . . . . 175 HIS CB . 15569 1 706 . 1 1 57 57 HIS CD2 C 13 120.17 0.20 . 1 . . . . 175 HIS CD2 . 15569 1 707 . 1 1 57 57 HIS CE1 C 13 136.21 0.20 . 1 . . . . 175 HIS CE1 . 15569 1 708 . 1 1 57 57 HIS N N 15 117.51 0.30 . 1 . . . . 175 HIS N . 15569 1 709 . 1 1 58 58 PRO HA H 1 4.33 0.03 . 1 . . . . 176 PRO HA . 15569 1 710 . 1 1 58 58 PRO HB2 H 1 2.09 0.03 . 2 . . . . 176 PRO HB2 . 15569 1 711 . 1 1 58 58 PRO HB3 H 1 2.41 0.03 . 2 . . . . 176 PRO HB3 . 15569 1 712 . 1 1 58 58 PRO HD2 H 1 3.40 0.03 . 2 . . . . 176 PRO HD2 . 15569 1 713 . 1 1 58 58 PRO HD3 H 1 3.83 0.03 . 2 . . . . 176 PRO HD3 . 15569 1 714 . 1 1 58 58 PRO HG3 H 1 2.08 0.03 . 2 . . . . 176 PRO HG3 . 15569 1 715 . 1 1 58 58 PRO C C 13 178.63 0.20 . 1 . . . . 176 PRO C . 15569 1 716 . 1 1 58 58 PRO CA C 13 65.68 0.20 . 1 . . . . 176 PRO CA . 15569 1 717 . 1 1 58 58 PRO CB C 13 31.53 0.20 . 1 . . . . 176 PRO CB . 15569 1 718 . 1 1 58 58 PRO CD C 13 51.07 0.20 . 1 . . . . 176 PRO CD . 15569 1 719 . 1 1 58 58 PRO CG C 13 27.36 0.20 . 1 . . . . 176 PRO CG . 15569 1 720 . 1 1 59 59 ASP H H 1 9.02 0.03 . 1 . . . . 177 ASP H . 15569 1 721 . 1 1 59 59 ASP HA H 1 4.41 0.03 . 1 . . . . 177 ASP HA . 15569 1 722 . 1 1 59 59 ASP HB2 H 1 2.60 0.03 . 2 . . . . 177 ASP HB2 . 15569 1 723 . 1 1 59 59 ASP HB3 H 1 2.77 0.03 . 2 . . . . 177 ASP HB3 . 15569 1 724 . 1 1 59 59 ASP C C 13 180.04 0.20 . 1 . . . . 177 ASP C . 15569 1 725 . 1 1 59 59 ASP CA C 13 56.73 0.20 . 1 . . . . 177 ASP CA . 15569 1 726 . 1 1 59 59 ASP CB C 13 38.65 0.20 . 1 . . . . 177 ASP CB . 15569 1 727 . 1 1 59 59 ASP N N 15 117.21 0.30 . 1 . . . . 177 ASP N . 15569 1 728 . 1 1 60 60 LEU H H 1 7.66 0.03 . 1 . . . . 178 LEU H . 15569 1 729 . 1 1 60 60 LEU HA H 1 4.33 0.03 . 1 . . . . 178 LEU HA . 15569 1 730 . 1 1 60 60 LEU HB2 H 1 1.12 0.03 . 2 . . . . 178 LEU HB2 . 15569 1 731 . 1 1 60 60 LEU HB3 H 1 1.68 0.03 . 2 . . . . 178 LEU HB3 . 15569 1 732 . 1 1 60 60 LEU HD11 H 1 0.23 0.03 . 2 . . . . 178 LEU HD1 . 15569 1 733 . 1 1 60 60 LEU HD12 H 1 0.23 0.03 . 2 . . . . 178 LEU HD1 . 15569 1 734 . 1 1 60 60 LEU HD13 H 1 0.23 0.03 . 2 . . . . 178 LEU HD1 . 15569 1 735 . 1 1 60 60 LEU HD21 H 1 0.07 0.03 . 2 . . . . 178 LEU HD2 . 15569 1 736 . 1 1 60 60 LEU HD22 H 1 0.07 0.03 . 2 . . . . 178 LEU HD2 . 15569 1 737 . 1 1 60 60 LEU HD23 H 1 0.07 0.03 . 2 . . . . 178 LEU HD2 . 15569 1 738 . 1 1 60 60 LEU HG H 1 1.50 0.03 . 1 . . . . 178 LEU HG . 15569 1 739 . 1 1 60 60 LEU C C 13 181.02 0.20 . 1 . . . . 178 LEU C . 15569 1 740 . 1 1 60 60 LEU CA C 13 56.89 0.20 . 1 . . . . 178 LEU CA . 15569 1 741 . 1 1 60 60 LEU CB C 13 41.55 0.20 . 1 . . . . 178 LEU CB . 15569 1 742 . 1 1 60 60 LEU CD1 C 13 21.91 0.20 . 2 . . . . 178 LEU CD1 . 15569 1 743 . 1 1 60 60 LEU CD2 C 13 26.38 0.20 . 2 . . . . 178 LEU CD2 . 15569 1 744 . 1 1 60 60 LEU CG C 13 26.20 0.20 . 1 . . . . 178 LEU CG . 15569 1 745 . 1 1 60 60 LEU N N 15 121.58 0.30 . 1 . . . . 178 LEU N . 15569 1 746 . 1 1 61 61 ILE H H 1 7.87 0.03 . 1 . . . . 179 ILE H . 15569 1 747 . 1 1 61 61 ILE HA H 1 3.72 0.03 . 1 . . . . 179 ILE HA . 15569 1 748 . 1 1 61 61 ILE HB H 1 1.96 0.03 . 1 . . . . 179 ILE HB . 15569 1 749 . 1 1 61 61 ILE HD11 H 1 0.99 0.03 . 1 . . . . 179 ILE HD1 . 15569 1 750 . 1 1 61 61 ILE HD12 H 1 0.99 0.03 . 1 . . . . 179 ILE HD1 . 15569 1 751 . 1 1 61 61 ILE HD13 H 1 0.99 0.03 . 1 . . . . 179 ILE HD1 . 15569 1 752 . 1 1 61 61 ILE HG12 H 1 0.98 0.03 . 2 . . . . 179 ILE HG12 . 15569 1 753 . 1 1 61 61 ILE HG13 H 1 2.01 0.03 . 2 . . . . 179 ILE HG13 . 15569 1 754 . 1 1 61 61 ILE HG21 H 1 0.99 0.03 . 1 . . . . 179 ILE HG2 . 15569 1 755 . 1 1 61 61 ILE HG22 H 1 0.99 0.03 . 1 . . . . 179 ILE HG2 . 15569 1 756 . 1 1 61 61 ILE HG23 H 1 0.99 0.03 . 1 . . . . 179 ILE HG2 . 15569 1 757 . 1 1 61 61 ILE C C 13 178.23 0.20 . 1 . . . . 179 ILE C . 15569 1 758 . 1 1 61 61 ILE CA C 13 66.65 0.20 . 1 . . . . 179 ILE CA . 15569 1 759 . 1 1 61 61 ILE CB C 13 38.73 0.20 . 1 . . . . 179 ILE CB . 15569 1 760 . 1 1 61 61 ILE CD1 C 13 13.65 0.20 . 1 . . . . 179 ILE CD1 . 15569 1 761 . 1 1 61 61 ILE CG1 C 13 30.94 0.20 . 1 . . . . 179 ILE CG1 . 15569 1 762 . 1 1 61 61 ILE CG2 C 13 17.10 0.20 . 1 . . . . 179 ILE CG2 . 15569 1 763 . 1 1 61 61 ILE N N 15 122.80 0.30 . 1 . . . . 179 ILE N . 15569 1 764 . 1 1 62 62 MET H H 1 8.37 0.03 . 1 . . . . 180 MET H . 15569 1 765 . 1 1 62 62 MET HA H 1 4.32 0.03 . 1 . . . . 180 MET HA . 15569 1 766 . 1 1 62 62 MET HB2 H 1 2.18 0.03 . 2 . . . . 180 MET HB2 . 15569 1 767 . 1 1 62 62 MET HB3 H 1 2.20 0.03 . 2 . . . . 180 MET HB3 . 15569 1 768 . 1 1 62 62 MET HG3 H 1 2.67 0.03 . 2 . . . . 180 MET HG3 . 15569 1 769 . 1 1 62 62 MET C C 13 180.19 0.20 . 1 . . . . 180 MET C . 15569 1 770 . 1 1 62 62 MET CA C 13 58.46 0.20 . 1 . . . . 180 MET CA . 15569 1 771 . 1 1 62 62 MET CB C 13 32.28 0.20 . 1 . . . . 180 MET CB . 15569 1 772 . 1 1 62 62 MET CG C 13 32.28 0.20 . 1 . . . . 180 MET CG . 15569 1 773 . 1 1 62 62 MET N N 15 118.75 0.30 . 1 . . . . 180 MET N . 15569 1 774 . 1 1 63 63 GLY H H 1 8.21 0.03 . 1 . . . . 181 GLY H . 15569 1 775 . 1 1 63 63 GLY HA3 H 1 4.00 0.03 . 2 . . . . 181 GLY HA3 . 15569 1 776 . 1 1 63 63 GLY C C 13 175.17 0.20 . 1 . . . . 181 GLY C . 15569 1 777 . 1 1 63 63 GLY CA C 13 46.78 0.20 . 1 . . . . 181 GLY CA . 15569 1 778 . 1 1 63 63 GLY N N 15 105.63 0.30 . 1 . . . . 181 GLY N . 15569 1 779 . 1 1 64 64 PHE H H 1 7.75 0.03 . 1 . . . . 182 PHE H . 15569 1 780 . 1 1 64 64 PHE HA H 1 3.79 0.03 . 1 . . . . 182 PHE HA . 15569 1 781 . 1 1 64 64 PHE HB2 H 1 3.18 0.03 . 2 . . . . 182 PHE HB2 . 15569 1 782 . 1 1 64 64 PHE HB3 H 1 3.65 0.03 . 2 . . . . 182 PHE HB3 . 15569 1 783 . 1 1 64 64 PHE HD1 H 1 7.35 0.03 . 3 . . . . 182 PHE HD1 . 15569 1 784 . 1 1 64 64 PHE HE1 H 1 7.31 0.03 . 3 . . . . 182 PHE HE1 . 15569 1 785 . 1 1 64 64 PHE HZ H 1 6.85 0.03 . 1 . . . . 182 PHE HZ . 15569 1 786 . 1 1 64 64 PHE C C 13 176.26 0.20 . 1 . . . . 182 PHE C . 15569 1 787 . 1 1 64 64 PHE CA C 13 60.66 0.20 . 1 . . . . 182 PHE CA . 15569 1 788 . 1 1 64 64 PHE CB C 13 38.83 0.20 . 1 . . . . 182 PHE CB . 15569 1 789 . 1 1 64 64 PHE CD1 C 13 131.76 0.20 . 1 . . . . 182 PHE CD1 . 15569 1 790 . 1 1 64 64 PHE CE1 C 13 131.10 0.20 . 1 . . . . 182 PHE CE1 . 15569 1 791 . 1 1 64 64 PHE CG C 13 139.80 0.20 . 1 . . . . 182 PHE CG . 15569 1 792 . 1 1 64 64 PHE CZ C 13 129.50 0.20 . 1 . . . . 182 PHE CZ . 15569 1 793 . 1 1 64 64 PHE N N 15 122.38 0.30 . 1 . . . . 182 PHE N . 15569 1 794 . 1 1 65 65 ASN H H 1 7.47 0.03 . 1 . . . . 183 ASN H . 15569 1 795 . 1 1 65 65 ASN HA H 1 4.23 0.03 . 1 . . . . 183 ASN HA . 15569 1 796 . 1 1 65 65 ASN HB2 H 1 2.79 0.03 . 2 . . . . 183 ASN HB2 . 15569 1 797 . 1 1 65 65 ASN HB3 H 1 2.88 0.03 . 2 . . . . 183 ASN HB3 . 15569 1 798 . 1 1 65 65 ASN HD21 H 1 7.63 0.03 . 2 . . . . 183 ASN HD21 . 15569 1 799 . 1 1 65 65 ASN HD22 H 1 6.95 0.03 . 2 . . . . 183 ASN HD22 . 15569 1 800 . 1 1 65 65 ASN C C 13 177.08 0.20 . 1 . . . . 183 ASN C . 15569 1 801 . 1 1 65 65 ASN CA C 13 55.99 0.20 . 1 . . . . 183 ASN CA . 15569 1 802 . 1 1 65 65 ASN CB C 13 38.36 0.20 . 1 . . . . 183 ASN CB . 15569 1 803 . 1 1 65 65 ASN N N 15 113.56 0.30 . 1 . . . . 183 ASN N . 15569 1 804 . 1 1 65 65 ASN ND2 N 15 112.53 0.30 . 1 . . . . 183 ASN ND2 . 15569 1 805 . 1 1 66 66 THR H H 1 7.26 0.03 . 1 . . . . 184 THR H . 15569 1 806 . 1 1 66 66 THR HA H 1 4.06 0.03 . 1 . . . . 184 THR HA . 15569 1 807 . 1 1 66 66 THR HB H 1 4.02 0.03 . 1 . . . . 184 THR HB . 15569 1 808 . 1 1 66 66 THR HG21 H 1 0.98 0.03 . 1 . . . . 184 THR HG2 . 15569 1 809 . 1 1 66 66 THR HG22 H 1 0.98 0.03 . 1 . . . . 184 THR HG2 . 15569 1 810 . 1 1 66 66 THR HG23 H 1 0.98 0.03 . 1 . . . . 184 THR HG2 . 15569 1 811 . 1 1 66 66 THR C C 13 174.52 0.20 . 1 . . . . 184 THR C . 15569 1 812 . 1 1 66 66 THR CA C 13 63.47 0.20 . 1 . . . . 184 THR CA . 15569 1 813 . 1 1 66 66 THR CB C 13 69.02 0.20 . 1 . . . . 184 THR CB . 15569 1 814 . 1 1 66 66 THR CG2 C 13 21.60 0.20 . 1 . . . . 184 THR CG2 . 15569 1 815 . 1 1 66 66 THR N N 15 110.74 0.30 . 1 . . . . 184 THR N . 15569 1 816 . 1 1 67 67 PHE H H 1 7.36 0.03 . 1 . . . . 185 PHE H . 15569 1 817 . 1 1 67 67 PHE HA H 1 4.33 0.03 . 1 . . . . 185 PHE HA . 15569 1 818 . 1 1 67 67 PHE HB2 H 1 2.38 0.03 . 2 . . . . 185 PHE HB2 . 15569 1 819 . 1 1 67 67 PHE HB3 H 1 2.73 0.03 . 2 . . . . 185 PHE HB3 . 15569 1 820 . 1 1 67 67 PHE HD1 H 1 7.12 0.03 . 3 . . . . 185 PHE HD1 . 15569 1 821 . 1 1 67 67 PHE HE1 H 1 7.34 0.03 . 3 . . . . 185 PHE HE1 . 15569 1 822 . 1 1 67 67 PHE HZ H 1 7.34 0.03 . 1 . . . . 185 PHE HZ . 15569 1 823 . 1 1 67 67 PHE C C 13 175.41 0.20 . 1 . . . . 185 PHE C . 15569 1 824 . 1 1 67 67 PHE CA C 13 58.43 0.20 . 1 . . . . 185 PHE CA . 15569 1 825 . 1 1 67 67 PHE CB C 13 39.94 0.20 . 1 . . . . 185 PHE CB . 15569 1 826 . 1 1 67 67 PHE CD1 C 13 132.02 0.20 . 1 . . . . 185 PHE CD1 . 15569 1 827 . 1 1 67 67 PHE CE1 C 13 131.29 0.20 . 1 . . . . 185 PHE CE1 . 15569 1 828 . 1 1 67 67 PHE CG C 13 139.17 0.20 . 1 . . . . 185 PHE CG . 15569 1 829 . 1 1 67 67 PHE CZ C 13 129.40 0.20 . 1 . . . . 185 PHE CZ . 15569 1 830 . 1 1 67 67 PHE N N 15 121.31 0.30 . 1 . . . . 185 PHE N . 15569 1 831 . 1 1 68 68 LEU H H 1 7.12 0.03 . 1 . . . . 186 LEU H . 15569 1 832 . 1 1 68 68 LEU HA H 1 4.23 0.03 . 1 . . . . 186 LEU HA . 15569 1 833 . 1 1 68 68 LEU HB2 H 1 1.28 0.03 . 2 . . . . 186 LEU HB2 . 15569 1 834 . 1 1 68 68 LEU HB3 H 1 1.38 0.03 . 2 . . . . 186 LEU HB3 . 15569 1 835 . 1 1 68 68 LEU HD11 H 1 0.70 0.03 . 2 . . . . 186 LEU HD1 . 15569 1 836 . 1 1 68 68 LEU HD12 H 1 0.70 0.03 . 2 . . . . 186 LEU HD1 . 15569 1 837 . 1 1 68 68 LEU HD13 H 1 0.70 0.03 . 2 . . . . 186 LEU HD1 . 15569 1 838 . 1 1 68 68 LEU HD21 H 1 0.64 0.03 . 2 . . . . 186 LEU HD2 . 15569 1 839 . 1 1 68 68 LEU HD22 H 1 0.64 0.03 . 2 . . . . 186 LEU HD2 . 15569 1 840 . 1 1 68 68 LEU HD23 H 1 0.64 0.03 . 2 . . . . 186 LEU HD2 . 15569 1 841 . 1 1 68 68 LEU HG H 1 1.28 0.03 . 1 . . . . 186 LEU HG . 15569 1 842 . 1 1 68 68 LEU CA C 13 52.85 0.20 . 1 . . . . 186 LEU CA . 15569 1 843 . 1 1 68 68 LEU CB C 13 41.56 0.20 . 1 . . . . 186 LEU CB . 15569 1 844 . 1 1 68 68 LEU CD1 C 13 25.50 0.20 . 2 . . . . 186 LEU CD1 . 15569 1 845 . 1 1 68 68 LEU CD2 C 13 23.94 0.20 . 2 . . . . 186 LEU CD2 . 15569 1 846 . 1 1 68 68 LEU CG C 13 26.47 0.20 . 1 . . . . 186 LEU CG . 15569 1 847 . 1 1 68 68 LEU N N 15 120.39 0.30 . 1 . . . . 186 LEU N . 15569 1 848 . 1 1 69 69 PRO HA H 1 4.62 0.03 . 1 . . . . 187 PRO HA . 15569 1 849 . 1 1 69 69 PRO HB2 H 1 1.90 0.03 . 2 . . . . 187 PRO HB2 . 15569 1 850 . 1 1 69 69 PRO HB3 H 1 2.31 0.03 . 2 . . . . 187 PRO HB3 . 15569 1 851 . 1 1 69 69 PRO HD2 H 1 3.53 0.03 . 2 . . . . 187 PRO HD2 . 15569 1 852 . 1 1 69 69 PRO HD3 H 1 3.67 0.03 . 2 . . . . 187 PRO HD3 . 15569 1 853 . 1 1 69 69 PRO HG2 H 1 1.98 0.03 . 2 . . . . 187 PRO HG2 . 15569 1 854 . 1 1 69 69 PRO HG3 H 1 2.07 0.03 . 2 . . . . 187 PRO HG3 . 15569 1 855 . 1 1 69 69 PRO CA C 13 61.52 0.20 . 1 . . . . 187 PRO CA . 15569 1 856 . 1 1 69 69 PRO CB C 13 31.00 0.20 . 1 . . . . 187 PRO CB . 15569 1 857 . 1 1 69 69 PRO CD C 13 50.20 0.20 . 1 . . . . 187 PRO CD . 15569 1 858 . 1 1 69 69 PRO CG C 13 27.59 0.20 . 1 . . . . 187 PRO CG . 15569 1 859 . 1 1 70 70 PRO HA H 1 4.42 0.03 . 1 . . . . 188 PRO HA . 15569 1 860 . 1 1 70 70 PRO HB2 H 1 2.24 0.03 . 2 . . . . 188 PRO HB2 . 15569 1 861 . 1 1 70 70 PRO HB3 H 1 2.26 0.03 . 2 . . . . 188 PRO HB3 . 15569 1 862 . 1 1 70 70 PRO HD2 H 1 3.65 0.03 . 2 . . . . 188 PRO HD2 . 15569 1 863 . 1 1 70 70 PRO HD3 H 1 3.77 0.03 . 2 . . . . 188 PRO HD3 . 15569 1 864 . 1 1 70 70 PRO HG2 H 1 1.98 0.03 . 2 . . . . 188 PRO HG2 . 15569 1 865 . 1 1 70 70 PRO HG3 H 1 2.00 0.03 . 2 . . . . 188 PRO HG3 . 15569 1 866 . 1 1 70 70 PRO C C 13 176.78 0.20 . 1 . . . . 188 PRO C . 15569 1 867 . 1 1 70 70 PRO CA C 13 63.15 0.20 . 1 . . . . 188 PRO CA . 15569 1 868 . 1 1 70 70 PRO CB C 13 32.08 0.20 . 1 . . . . 188 PRO CB . 15569 1 869 . 1 1 70 70 PRO CD C 13 50.29 0.20 . 1 . . . . 188 PRO CD . 15569 1 870 . 1 1 70 70 PRO CG C 13 27.26 0.20 . 1 . . . . 188 PRO CG . 15569 1 871 . 1 1 71 71 GLY H H 1 7.98 0.03 . 1 . . . . 189 GLY H . 15569 1 872 . 1 1 71 71 GLY HA2 H 1 3.70 0.03 . 2 . . . . 189 GLY HA2 . 15569 1 873 . 1 1 71 71 GLY HA3 H 1 3.76 0.03 . 2 . . . . 189 GLY HA3 . 15569 1 874 . 1 1 71 71 GLY CA C 13 46.23 0.20 . 1 . . . . 189 GLY CA . 15569 1 875 . 1 1 71 71 GLY N N 15 115.14 0.30 . 1 . . . . 189 GLY N . 15569 1 stop_ save_