data_15567 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15567 _Entry.Title ; Structure of the second PDZ domain of NHERF-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-11-27 _Entry.Accession_date 2007-11-27 _Entry.Last_release_date 2009-05-28 _Entry.Original_release_date 2009-05-28 _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 Hong Cheng . . . 15567 2 Jianquan Li . . . 15567 3 Zhongping Dai . . . 15567 4 Zimei Bu . . . 15567 5 Heinrich Roder . . . 15567 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15567 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 340 15567 '15N chemical shifts' 90 15567 '1H chemical shifts' 569 15567 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 . . 2009-05-28 2007-11-27 original author . 15567 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JXO 'BMRB Entry Tracking System' 15567 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 15567 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19446522 _Citation.Full_citation . _Citation.Title 'Autoinhibitory interactions between the PDZ2 and C-terminal domains in the scaffolding protein NHERF-1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full Structure _Citation.Journal_volume 17 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0969-2126 _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 660 _Citation.Page_last 669 _Citation.Year 2009 _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 Hong Cheng . . . 15567 1 2 Jianquan Li . . . 15567 1 3 Fazlieva Ruzaliya . . . 15567 1 4 Zhongping Dai . . . 15567 1 5 Zimei Bu . . . 15567 1 6 Heinrich Roder . . . 15567 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CD 15567 1 NMR 15567 1 'relaxation dispersion' 15567 1 'solution structure' 15567 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15567 _Assembly.ID 1 _Assembly.Name 'PDZ domain' _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 10731 _Assembly.Enzyme_commission_number . _Assembly.Details 'monomeric protein domain' _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 entity 1 $PDZ2 A . yes native no no . . . 15567 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PDZ2 _Entity.Sf_category entity _Entity.Sf_framecode PDZ2 _Entity.Entry_ID 15567 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PDZ2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GIDPFTMLRPRLCTMKKGPS GYGFNLHSDKSKPGQFIRSV DPDSPAEASGLRAQDRIVEV NGVCMEGKQHGDVVSAIRAG GDETKLLVVDRETDEFFK ; _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10731 _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 16637 . PDZ2-270 . . . . . 100.00 128 100.00 100.00 3.93e-64 . . . . 15567 1 2 no BMRB 16638 . NHERF1_(150-358) . . . . . 100.00 216 100.00 100.00 6.79e-65 . . . . 15567 1 3 no BMRB 18826 . PDZ2 . . . . . 100.00 128 100.00 100.00 3.93e-64 . . . . 15567 1 4 no PDB 2JXO . "Structure Of The Second Pdz Domain Of Nherf-1" . . . . . 100.00 98 100.00 100.00 1.52e-64 . . . . 15567 1 5 no PDB 2KJD . "Solution Structure Of Extended Pdz2 Domain From Nherf1 (150- 270)" . . . . . 100.00 128 100.00 100.00 3.93e-64 . . . . 15567 1 6 no PDB 2KRG . "Solution Structure Of Human Sodium HYDROGEN EXCHANGE Regulatory Factor 1(150-358)" . . . . . 100.00 216 100.00 100.00 6.79e-65 . . . . 15567 1 7 no PDB 2M0V . "Complex Structure Of C-terminal Cftr Peptide And Extended Pdz2 Domain From Nherf1" . . . . . 100.00 128 100.00 100.00 3.93e-64 . . . . 15567 1 8 no PDB 2OZF . "The Crystal Structure Of The 2nd Pdz Domain Of The Human Nherf-1 (Slc9a3r1)" . . . . . 90.82 92 97.75 100.00 2.98e-56 . . . . 15567 1 9 no PDB 4Q3H . "The Crystal Structure Of Nherf1 Pdz2 Cxcr2 Complex Revealed By The Nherf1 Cxcr2 Chimeric Protein" . . . . . 89.80 92 98.86 100.00 3.58e-56 . . . . 15567 1 10 no DBJ BAG54683 . "unnamed protein product [Homo sapiens]" . . . . . 85.71 202 100.00 100.00 8.10e-53 . . . . 15567 1 11 no GB EAW89189 . "solute carrier family 9 (sodium/hydrogen exchanger), member 3 regulator 1, isoform CRA_a [Homo sapiens]" . . . . . 85.71 202 100.00 100.00 8.10e-53 . . . . 15567 1 12 no GB EHH58322 . "hypothetical protein EGM_08144, partial [Macaca fascicularis]" . . . . . 92.86 233 100.00 100.00 4.77e-59 . . . . 15567 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'signaling adaptor' 15567 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 1 143 GLY . 15567 1 2 144 ILE . 15567 1 3 145 ASP . 15567 1 4 146 PRO . 15567 1 5 147 PHE . 15567 1 6 148 THR . 15567 1 7 149 MET . 15567 1 8 150 LEU . 15567 1 9 151 ARG . 15567 1 10 152 PRO . 15567 1 11 153 ARG . 15567 1 12 154 LEU . 15567 1 13 155 CYS . 15567 1 14 156 THR . 15567 1 15 157 MET . 15567 1 16 158 LYS . 15567 1 17 159 LYS . 15567 1 18 160 GLY . 15567 1 19 161 PRO . 15567 1 20 162 SER . 15567 1 21 163 GLY . 15567 1 22 164 TYR . 15567 1 23 165 GLY . 15567 1 24 166 PHE . 15567 1 25 167 ASN . 15567 1 26 168 LEU . 15567 1 27 169 HIS . 15567 1 28 170 SER . 15567 1 29 171 ASP . 15567 1 30 172 LYS . 15567 1 31 173 SER . 15567 1 32 174 LYS . 15567 1 33 175 PRO . 15567 1 34 176 GLY . 15567 1 35 177 GLN . 15567 1 36 178 PHE . 15567 1 37 179 ILE . 15567 1 38 180 ARG . 15567 1 39 181 SER . 15567 1 40 182 VAL . 15567 1 41 183 ASP . 15567 1 42 184 PRO . 15567 1 43 185 ASP . 15567 1 44 186 SER . 15567 1 45 187 PRO . 15567 1 46 188 ALA . 15567 1 47 189 GLU . 15567 1 48 190 ALA . 15567 1 49 191 SER . 15567 1 50 192 GLY . 15567 1 51 193 LEU . 15567 1 52 194 ARG . 15567 1 53 195 ALA . 15567 1 54 196 GLN . 15567 1 55 197 ASP . 15567 1 56 198 ARG . 15567 1 57 199 ILE . 15567 1 58 200 VAL . 15567 1 59 201 GLU . 15567 1 60 202 VAL . 15567 1 61 203 ASN . 15567 1 62 204 GLY . 15567 1 63 205 VAL . 15567 1 64 206 CYS . 15567 1 65 207 MET . 15567 1 66 208 GLU . 15567 1 67 209 GLY . 15567 1 68 210 LYS . 15567 1 69 211 GLN . 15567 1 70 212 HIS . 15567 1 71 213 GLY . 15567 1 72 214 ASP . 15567 1 73 215 VAL . 15567 1 74 216 VAL . 15567 1 75 217 SER . 15567 1 76 218 ALA . 15567 1 77 219 ILE . 15567 1 78 220 ARG . 15567 1 79 221 ALA . 15567 1 80 222 GLY . 15567 1 81 223 GLY . 15567 1 82 224 ASP . 15567 1 83 225 GLU . 15567 1 84 226 THR . 15567 1 85 227 LYS . 15567 1 86 228 LEU . 15567 1 87 229 LEU . 15567 1 88 230 VAL . 15567 1 89 231 VAL . 15567 1 90 232 ASP . 15567 1 91 233 ARG . 15567 1 92 234 GLU . 15567 1 93 235 THR . 15567 1 94 236 ASP . 15567 1 95 237 GLU . 15567 1 96 238 PHE . 15567 1 97 239 PHE . 15567 1 98 240 LYS . 15567 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 . GLY 1 1 15567 1 . ILE 2 2 15567 1 . ASP 3 3 15567 1 . PRO 4 4 15567 1 . PHE 5 5 15567 1 . THR 6 6 15567 1 . MET 7 7 15567 1 . LEU 8 8 15567 1 . ARG 9 9 15567 1 . PRO 10 10 15567 1 . ARG 11 11 15567 1 . LEU 12 12 15567 1 . CYS 13 13 15567 1 . THR 14 14 15567 1 . MET 15 15 15567 1 . LYS 16 16 15567 1 . LYS 17 17 15567 1 . GLY 18 18 15567 1 . PRO 19 19 15567 1 . SER 20 20 15567 1 . GLY 21 21 15567 1 . TYR 22 22 15567 1 . GLY 23 23 15567 1 . PHE 24 24 15567 1 . ASN 25 25 15567 1 . LEU 26 26 15567 1 . HIS 27 27 15567 1 . SER 28 28 15567 1 . ASP 29 29 15567 1 . LYS 30 30 15567 1 . SER 31 31 15567 1 . LYS 32 32 15567 1 . PRO 33 33 15567 1 . GLY 34 34 15567 1 . GLN 35 35 15567 1 . PHE 36 36 15567 1 . ILE 37 37 15567 1 . ARG 38 38 15567 1 . SER 39 39 15567 1 . VAL 40 40 15567 1 . ASP 41 41 15567 1 . PRO 42 42 15567 1 . ASP 43 43 15567 1 . SER 44 44 15567 1 . PRO 45 45 15567 1 . ALA 46 46 15567 1 . GLU 47 47 15567 1 . ALA 48 48 15567 1 . SER 49 49 15567 1 . GLY 50 50 15567 1 . LEU 51 51 15567 1 . ARG 52 52 15567 1 . ALA 53 53 15567 1 . GLN 54 54 15567 1 . ASP 55 55 15567 1 . ARG 56 56 15567 1 . ILE 57 57 15567 1 . VAL 58 58 15567 1 . GLU 59 59 15567 1 . VAL 60 60 15567 1 . ASN 61 61 15567 1 . GLY 62 62 15567 1 . VAL 63 63 15567 1 . CYS 64 64 15567 1 . MET 65 65 15567 1 . GLU 66 66 15567 1 . GLY 67 67 15567 1 . LYS 68 68 15567 1 . GLN 69 69 15567 1 . HIS 70 70 15567 1 . GLY 71 71 15567 1 . ASP 72 72 15567 1 . VAL 73 73 15567 1 . VAL 74 74 15567 1 . SER 75 75 15567 1 . ALA 76 76 15567 1 . ILE 77 77 15567 1 . ARG 78 78 15567 1 . ALA 79 79 15567 1 . GLY 80 80 15567 1 . GLY 81 81 15567 1 . ASP 82 82 15567 1 . GLU 83 83 15567 1 . THR 84 84 15567 1 . LYS 85 85 15567 1 . LEU 86 86 15567 1 . LEU 87 87 15567 1 . VAL 88 88 15567 1 . VAL 89 89 15567 1 . ASP 90 90 15567 1 . ARG 91 91 15567 1 . GLU 92 92 15567 1 . THR 93 93 15567 1 . ASP 94 94 15567 1 . GLU 95 95 15567 1 . PHE 96 96 15567 1 . PHE 97 97 15567 1 . LYS 98 98 15567 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 15567 _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 $PDZ2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo Sapiens . . . . . . . . . . . . . . . . . . 'recombinant protein based on human sequence expressed in E. coli' . . 15567 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 15567 _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 $PDZ2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . 'pET 151/D-TOPO/PDZ2' . . . . . . 15567 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15567 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM, NHERF PDZ2' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 PDZ2 'natural abundance' . . 1 $PDZ2 . . 1 . . mM . . . . 15567 1 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 15567 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 15567 1 4 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 15567 1 5 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 15567 1 6 H2O . . . . . . . 95 . . % . . . . 15567 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15567 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1mM, 1H, 15N NHERF PDZ2' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 PDZ2 '[U-100% 15N]' . . 1 $PDZ2 . . 1 . . mM . . . . 15567 2 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 15567 2 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 15567 2 4 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 15567 2 5 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 15567 2 6 H2O . . . . . . . 95 . . % . . . . 15567 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15567 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM, 1H, 13C, 15N NHERF PDZ2' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 PDZ2 '[U-100% 13C; U-100% 15N]' . . 1 $PDZ2 . . 1 . . mM . . . . 15567 3 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 15567 3 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 15567 3 4 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 15567 3 5 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 15567 3 6 H2O . . . . . . . 95 . . % . . . . 15567 3 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 15567 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM HEPES, 150 mM NaCl, 0.5 mM DTT, pH 7.5' 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' 0.15 . M 15567 1 pH 7.5 . pH 15567 1 pressure 1 . atm 15567 1 temperature 288.1 . K 15567 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15567 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15567 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 15567 1 processing 15567 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15567 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15567 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15567 2 'data analysis' 15567 2 'peak picking' 15567 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15567 _Software.ID 3 _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 and Read' . . 15567 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15567 3 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15567 _Software.ID 4 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15567 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 15567 4 collection 15567 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 15567 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15567 _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 Bruker DMX . 600 . . . 15567 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 15567 _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 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15567 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15567 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15567 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15567 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15567 1 6 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15567 1 7 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15567 1 8 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15567 1 9 '3D HN(COCA)CB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15567 1 10 '3D HCCH-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15567 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15567 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15567 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode DSS _Chem_shift_reference.Entry_ID 15567 _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 . . . . . . . . . 15567 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15567 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15567 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_NHERF_PDZ2_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode NHERF_PDZ2_chem_shift_list _Assigned_chem_shift_list.Entry_ID 15567 _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 $DSS _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 '2D 1H-1H TOCSY' . . . 15567 1 2 '2D 1H-1H NOESY' . . . 15567 1 5 '3D 1H-15N TOCSY' . . . 15567 1 6 '3D HNHA' . . . 15567 1 7 '3D HNCO' . . . 15567 1 8 '3D HNCACB' . . . 15567 1 9 '3D HN(COCA)CB' . . . 15567 1 10 '3D HCCH-COSY' . . . 15567 1 11 '3D HCCH-TOCSY' . . . 15567 1 12 '3D 1H-13C NOESY' . . . 15567 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Felix . . 15567 1 2 $SPARKY . . 15567 1 3 $CNS . . 15567 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ILE HA H 1 4.171 . . 1 . . . . 144 I HA . 15567 1 2 . 1 1 2 2 ILE HB H 1 1.781 . . 1 . . . . 144 I HB . 15567 1 3 . 1 1 2 2 ILE HD11 H 1 0.844 . . 1 . . . . 144 I HD1* . 15567 1 4 . 1 1 2 2 ILE HD12 H 1 0.844 . . 1 . . . . 144 I HD1* . 15567 1 5 . 1 1 2 2 ILE HD13 H 1 0.844 . . 1 . . . . 144 I HD1* . 15567 1 6 . 1 1 2 2 ILE HG12 H 1 1.427 . . 2 . . . . 144 I HG1# . 15567 1 7 . 1 1 2 2 ILE HG13 H 1 1.427 . . 2 . . . . 144 I HG1# . 15567 1 8 . 1 1 2 2 ILE HG21 H 1 1.144 . . 1 . . . . 144 I HG2* . 15567 1 9 . 1 1 2 2 ILE HG22 H 1 1.144 . . 1 . . . . 144 I HG2* . 15567 1 10 . 1 1 2 2 ILE HG23 H 1 1.144 . . 1 . . . . 144 I HG2* . 15567 1 11 . 1 1 2 2 ILE C C 13 175.446 . . 1 . . . . 144 I CO . 15567 1 12 . 1 1 2 2 ILE CA C 13 60.547 . . 1 . . . . 144 I CA . 15567 1 13 . 1 1 2 2 ILE CB C 13 38.500 . . 1 . . . . 144 I CB . 15567 1 14 . 1 1 2 2 ILE CD1 C 13 12.950 . . 1 . . . . 144 I CD . 15567 1 15 . 1 1 2 2 ILE CG1 C 13 26.830 . . 1 . . . . 144 I CG1 . 15567 1 16 . 1 1 2 2 ILE CG2 C 13 17.322 . . 1 . . . . 144 I CG2 . 15567 1 17 . 1 1 3 3 ASP H H 1 8.584 . . 1 . . . . 145 D HN . 15567 1 18 . 1 1 3 3 ASP HA H 1 4.879 . . 1 . . . . 145 D HA . 15567 1 19 . 1 1 3 3 ASP HB2 H 1 2.785 . . 2 . . . . 145 D HB1 . 15567 1 20 . 1 1 3 3 ASP HB3 H 1 2.604 . . 2 . . . . 145 D HB2 . 15567 1 21 . 1 1 3 3 ASP CA C 13 51.583 . . 1 . . . . 145 D CA . 15567 1 22 . 1 1 3 3 ASP CB C 13 41.044 . . 1 . . . . 145 D CB . 15567 1 23 . 1 1 3 3 ASP N N 15 127.098 . . 1 . . . . 145 D N . 15567 1 24 . 1 1 4 4 PRO HA H 1 4.290 . . 1 . . . . 146 P HA . 15567 1 25 . 1 1 4 4 PRO HB2 H 1 2.139 . . 2 . . . . 146 P HB1 . 15567 1 26 . 1 1 4 4 PRO HB3 H 1 1.575 . . 2 . . . . 146 P HB2 . 15567 1 27 . 1 1 4 4 PRO HD2 H 1 3.893 . . 2 . . . . 146 P HD1 . 15567 1 28 . 1 1 4 4 PRO HD3 H 1 3.781 . . 2 . . . . 146 P HD2 . 15567 1 29 . 1 1 4 4 PRO HG2 H 1 1.896 . . 2 . . . . 146 P HG1 . 15567 1 30 . 1 1 4 4 PRO HG3 H 1 1.711 . . 2 . . . . 146 P HG2 . 15567 1 31 . 1 1 4 4 PRO C C 13 176.840 . . 1 . . . . 146 P CO . 15567 1 32 . 1 1 4 4 PRO CA C 13 63.386 . . 1 . . . . 146 P CA . 15567 1 33 . 1 1 4 4 PRO CB C 13 31.799 . . 1 . . . . 146 P CB . 15567 1 34 . 1 1 4 4 PRO CD C 13 50.444 . . 1 . . . . 146 P CD . 15567 1 35 . 1 1 4 4 PRO CG C 13 26.736 . . 1 . . . . 146 P CG . 15567 1 36 . 1 1 5 5 PHE H H 1 8.323 . . 1 . . . . 147 F HN . 15567 1 37 . 1 1 5 5 PHE HA H 1 4.550 . . 1 . . . . 147 F HA . 15567 1 38 . 1 1 5 5 PHE HB2 H 1 3.179 . . 2 . . . . 147 F HB1 . 15567 1 39 . 1 1 5 5 PHE HB3 H 1 3.087 . . 2 . . . . 147 F HB2 . 15567 1 40 . 1 1 5 5 PHE HD1 H 1 7.284 . . 3 . . . . 147 F HD# . 15567 1 41 . 1 1 5 5 PHE HD2 H 1 7.284 . . 3 . . . . 147 F HD# . 15567 1 42 . 1 1 5 5 PHE HE1 H 1 7.200 . . 3 . . . . 147 F HE# . 15567 1 43 . 1 1 5 5 PHE HE2 H 1 7.200 . . 3 . . . . 147 F HE# . 15567 1 44 . 1 1 5 5 PHE C C 13 176.081 . . 1 . . . . 147 F CO . 15567 1 45 . 1 1 5 5 PHE CA C 13 58.224 . . 1 . . . . 147 F CA . 15567 1 46 . 1 1 5 5 PHE CB C 13 38.571 . . 1 . . . . 147 F CB . 15567 1 47 . 1 1 5 5 PHE N N 15 118.510 . . 1 . . . . 147 F N . 15567 1 48 . 1 1 6 6 THR H H 1 7.769 . . 1 . . . . 148 T HN . 15567 1 49 . 1 1 6 6 THR HA H 1 4.195 . . 1 . . . . 148 T HA . 15567 1 50 . 1 1 6 6 THR HB H 1 4.175 . . 1 . . . . 148 T HB . 15567 1 51 . 1 1 6 6 THR HG21 H 1 1.191 . . 1 . . . . 148 T HG2* . 15567 1 52 . 1 1 6 6 THR HG22 H 1 1.191 . . 1 . . . . 148 T HG2* . 15567 1 53 . 1 1 6 6 THR HG23 H 1 1.191 . . 1 . . . . 148 T HG2* . 15567 1 54 . 1 1 6 6 THR C C 13 173.870 . . 1 . . . . 148 T CO . 15567 1 55 . 1 1 6 6 THR CA C 13 62.114 . . 1 . . . . 148 T CA . 15567 1 56 . 1 1 6 6 THR CB C 13 69.325 . . 1 . . . . 148 T CB . 15567 1 57 . 1 1 6 6 THR CG2 C 13 21.158 . . 1 . . . . 148 T CG2 . 15567 1 58 . 1 1 6 6 THR N N 15 114.321 . . 1 . . . . 148 T N . 15567 1 59 . 1 1 7 7 MET H H 1 8.101 . . 1 . . . . 149 M HN . 15567 1 60 . 1 1 7 7 MET HA H 1 4.438 . . 1 . . . . 149 M HA . 15567 1 61 . 1 1 7 7 MET HB2 H 1 2.068 . . 2 . . . . 149 M HB1 . 15567 1 62 . 1 1 7 7 MET HB3 H 1 1.957 . . 2 . . . . 149 M HB2 . 15567 1 63 . 1 1 7 7 MET HG2 H 1 2.573 . . 2 . . . . 149 M HG1 . 15567 1 64 . 1 1 7 7 MET HG3 H 1 2.491 . . 2 . . . . 149 M HG2 . 15567 1 65 . 1 1 7 7 MET C C 13 175.544 . . 1 . . . . 149 M CO . 15567 1 66 . 1 1 7 7 MET CA C 13 55.218 . . 1 . . . . 149 M CA . 15567 1 67 . 1 1 7 7 MET CB C 13 32.224 . . 1 . . . . 149 M CB . 15567 1 68 . 1 1 7 7 MET CG C 13 31.476 . . 1 . . . . 149 M CG . 15567 1 69 . 1 1 7 7 MET N N 15 121.779 . . 1 . . . . 149 M N . 15567 1 70 . 1 1 8 8 LEU H H 1 8.110 . . 1 . . . . 150 L HN . 15567 1 71 . 1 1 8 8 LEU HA H 1 4.467 . . 1 . . . . 150 L HA . 15567 1 72 . 1 1 8 8 LEU HB2 H 1 1.614 . . 2 . . . . 150 L HB1 . 15567 1 73 . 1 1 8 8 LEU HB3 H 1 1.462 . . 2 . . . . 150 L HB2 . 15567 1 74 . 1 1 8 8 LEU HD11 H 1 0.672 . . 2 . . . . 150 L HD1* . 15567 1 75 . 1 1 8 8 LEU HD12 H 1 0.672 . . 2 . . . . 150 L HD1* . 15567 1 76 . 1 1 8 8 LEU HD13 H 1 0.672 . . 2 . . . . 150 L HD1* . 15567 1 77 . 1 1 8 8 LEU HD21 H 1 0.736 . . 1 . . . . 150 L HD2 . 15567 1 78 . 1 1 8 8 LEU HD22 H 1 0.736 . . 1 . . . . 150 L HD2 . 15567 1 79 . 1 1 8 8 LEU HD23 H 1 0.736 . . 1 . . . . 150 L HD2 . 15567 1 80 . 1 1 8 8 LEU HG H 1 0.708 . . 1 . . . . 150 L HG . 15567 1 81 . 1 1 8 8 LEU C C 13 175.439 . . 1 . . . . 150 L CO . 15567 1 82 . 1 1 8 8 LEU CA C 13 54.333 . . 1 . . . . 150 L CA . 15567 1 83 . 1 1 8 8 LEU CB C 13 40.631 . . 1 . . . . 150 L CB . 15567 1 84 . 1 1 8 8 LEU CD1 C 13 22.701 . . 2 . . . . 150 L CD1 . 15567 1 85 . 1 1 8 8 LEU CG C 13 25.643 . . 1 . . . . 150 L CG . 15567 1 86 . 1 1 8 8 LEU N N 15 123.383 . . 1 . . . . 150 L N . 15567 1 87 . 1 1 9 9 ARG H H 1 7.900 . . 1 . . . . 151 R HN . 15567 1 88 . 1 1 9 9 ARG HA H 1 4.769 . . 1 . . . . 151 R HA . 15567 1 89 . 1 1 9 9 ARG HB2 H 1 1.882 . . 2 . . . . 151 R HB1 . 15567 1 90 . 1 1 9 9 ARG HB3 H 1 1.677 . . 2 . . . . 151 R HB2 . 15567 1 91 . 1 1 9 9 ARG HD2 H 1 3.194 . . 2 . . . . 151 R HD1 . 15567 1 92 . 1 1 9 9 ARG HG2 H 1 1.584 . . 2 . . . . 151 R HG1 . 15567 1 93 . 1 1 9 9 ARG CA C 13 52.792 . . 1 . . . . 151 R CA . 15567 1 94 . 1 1 9 9 ARG CB C 13 30.717 . . 1 . . . . 151 R CB . 15567 1 95 . 1 1 9 9 ARG CG C 13 26.494 . . 1 . . . . 151 R CG . 15567 1 96 . 1 1 9 9 ARG N N 15 119.907 . . 1 . . . . 151 R N . 15567 1 97 . 1 1 10 10 PRO HA H 1 4.546 . . 1 . . . . 152 P HA . 15567 1 98 . 1 1 10 10 PRO HB2 H 1 2.359 . . 2 . . . . 152 P HB1 . 15567 1 99 . 1 1 10 10 PRO HB3 H 1 1.872 . . 2 . . . . 152 P HB2 . 15567 1 100 . 1 1 10 10 PRO HD2 H 1 3.587 . . 2 . . . . 152 P HD1 . 15567 1 101 . 1 1 10 10 PRO HD3 H 1 3.510 . . 2 . . . . 152 P HD2 . 15567 1 102 . 1 1 10 10 PRO HG2 H 1 1.926 . . 2 . . . . 152 P HG1 . 15567 1 103 . 1 1 10 10 PRO HG3 H 1 1.639 . . 2 . . . . 152 P HG2 . 15567 1 104 . 1 1 10 10 PRO C C 13 175.520 . . 1 . . . . 152 P CO . 15567 1 105 . 1 1 10 10 PRO CA C 13 62.580 . . 1 . . . . 152 P CA . 15567 1 106 . 1 1 10 10 PRO CB C 13 31.507 . . 1 . . . . 152 P CB . 15567 1 107 . 1 1 10 10 PRO CD C 13 49.998 . . 1 . . . . 152 P CD . 15567 1 108 . 1 1 10 10 PRO CG C 13 27.032 . . 1 . . . . 152 P CG . 15567 1 109 . 1 1 11 11 ARG H H 1 8.987 . . 1 . . . . 153 R HN . 15567 1 110 . 1 1 11 11 ARG HA H 1 4.462 . . 1 . . . . 153 R HA . 15567 1 111 . 1 1 11 11 ARG HB2 H 1 1.665 . . 2 . . . . 153 R HB1 . 15567 1 112 . 1 1 11 11 ARG HB3 H 1 1.361 . . 2 . . . . 153 R HB2 . 15567 1 113 . 1 1 11 11 ARG C C 13 173.260 . . 1 . . . . 153 R CO . 15567 1 114 . 1 1 11 11 ARG CA C 13 54.652 . . 1 . . . . 153 R CA . 15567 1 115 . 1 1 11 11 ARG CB C 13 32.449 . . 1 . . . . 153 R CB . 15567 1 116 . 1 1 11 11 ARG N N 15 122.642 . . 1 . . . . 153 R N . 15567 1 117 . 1 1 12 12 LEU H H 1 8.675 . . 1 . . . . 154 L HN . 15567 1 118 . 1 1 12 12 LEU HA H 1 4.926 . . 1 . . . . 154 L HA . 15567 1 119 . 1 1 12 12 LEU HB2 H 1 1.876 . . 2 . . . . 154 L HB1 . 15567 1 120 . 1 1 12 12 LEU HD11 H 1 0.795 . . 2 . . . . 154 L HD1* . 15567 1 121 . 1 1 12 12 LEU HD12 H 1 0.795 . . 2 . . . . 154 L HD1* . 15567 1 122 . 1 1 12 12 LEU HD13 H 1 0.795 . . 2 . . . . 154 L HD1* . 15567 1 123 . 1 1 12 12 LEU HD21 H 1 0.687 . . 2 . . . . 154 L HD2* . 15567 1 124 . 1 1 12 12 LEU HD22 H 1 0.687 . . 2 . . . . 154 L HD2* . 15567 1 125 . 1 1 12 12 LEU HD23 H 1 0.687 . . 2 . . . . 154 L HD2* . 15567 1 126 . 1 1 12 12 LEU HG H 1 1.233 . . 1 . . . . 154 L HG . 15567 1 127 . 1 1 12 12 LEU C C 13 176.282 . . 1 . . . . 154 L CO . 15567 1 128 . 1 1 12 12 LEU CA C 13 53.222 . . 1 . . . . 154 L CA . 15567 1 129 . 1 1 12 12 LEU CB C 13 42.382 . . 1 . . . . 154 L CB . 15567 1 130 . 1 1 12 12 LEU CD1 C 13 23.056 . . 2 . . . . 154 L CD1 . 15567 1 131 . 1 1 12 12 LEU CG C 13 25.316 . . 1 . . . . 154 L CG . 15567 1 132 . 1 1 12 12 LEU N N 15 125.776 . . 1 . . . . 154 L N . 15567 1 133 . 1 1 13 13 CYS H H 1 9.509 . . 1 . . . . 155 C HN . 15567 1 134 . 1 1 13 13 CYS HA H 1 4.762 . . 1 . . . . 155 C HA . 15567 1 135 . 1 1 13 13 CYS HB2 H 1 2.851 . . 2 . . . . 155 C HB1 . 15567 1 136 . 1 1 13 13 CYS HB3 H 1 2.519 . . 2 . . . . 155 C HB2 . 15567 1 137 . 1 1 13 13 CYS C C 13 173.211 . . 1 . . . . 155 C CO . 15567 1 138 . 1 1 13 13 CYS CA C 13 57.646 . . 1 . . . . 155 C CA . 15567 1 139 . 1 1 13 13 CYS CB C 13 28.495 . . 1 . . . . 155 C CB . 15567 1 140 . 1 1 13 13 CYS N N 15 130.053 . . 1 . . . . 155 C N . 15567 1 141 . 1 1 14 14 THR H H 1 8.979 . . 1 . . . . 156 T HN . 15567 1 142 . 1 1 14 14 THR HA H 1 4.927 . . 1 . . . . 156 T HA . 15567 1 143 . 1 1 14 14 THR HB H 1 4.043 . . 1 . . . . 156 T HB . 15567 1 144 . 1 1 14 14 THR HG21 H 1 1.145 . . 1 . . . . 156 T HG2* . 15567 1 145 . 1 1 14 14 THR HG22 H 1 1.145 . . 1 . . . . 156 T HG2* . 15567 1 146 . 1 1 14 14 THR HG23 H 1 1.145 . . 1 . . . . 156 T HG2* . 15567 1 147 . 1 1 14 14 THR C C 13 172.990 . . 1 . . . . 156 T CO . 15567 1 148 . 1 1 14 14 THR CA C 13 61.216 . . 1 . . . . 156 T CA . 15567 1 149 . 1 1 14 14 THR CB C 13 69.306 . . 1 . . . . 156 T CB . 15567 1 150 . 1 1 14 14 THR CG2 C 13 21.455 . . 1 . . . . 156 T CG2 . 15567 1 151 . 1 1 14 14 THR N N 15 122.811 . . 1 . . . . 156 T N . 15567 1 152 . 1 1 15 15 MET H H 1 8.889 . . 1 . . . . 157 M HN . 15567 1 153 . 1 1 15 15 MET HA H 1 5.006 . . 1 . . . . 157 M HA . 15567 1 154 . 1 1 15 15 MET HB2 H 1 2.052 . . 2 . . . . 157 M HB1 . 15567 1 155 . 1 1 15 15 MET HB3 H 1 1.865 . . 2 . . . . 157 M HB2 . 15567 1 156 . 1 1 15 15 MET HG2 H 1 2.257 . . 2 . . . . 157 M HG1 . 15567 1 157 . 1 1 15 15 MET C C 13 176.000 . . 1 . . . . 157 M CO . 15567 1 158 . 1 1 15 15 MET CA C 13 54.167 . . 1 . . . . 157 M CA . 15567 1 159 . 1 1 15 15 MET CB C 13 39.030 . . 1 . . . . 157 M CB . 15567 1 160 . 1 1 15 15 MET N N 15 121.855 . . 1 . . . . 157 M N . 15567 1 161 . 1 1 16 16 LYS H H 1 8.614 . . 1 . . . . 158 K HN . 15567 1 162 . 1 1 16 16 LYS HA H 1 5.262 . . 1 . . . . 158 K HA . 15567 1 163 . 1 1 16 16 LYS HB2 H 1 1.886 . . 2 . . . . 158 K HB1 . 15567 1 164 . 1 1 16 16 LYS HB3 H 1 1.714 . . 2 . . . . 158 K HB2 . 15567 1 165 . 1 1 16 16 LYS HE2 H 1 2.987 . . 2 . . . . 158 K HE1 . 15567 1 166 . 1 1 16 16 LYS HG2 H 1 1.498 . . 2 . . . . 158 K HG1 . 15567 1 167 . 1 1 16 16 LYS C C 13 175.677 . . 1 . . . . 158 K CO . 15567 1 168 . 1 1 16 16 LYS CA C 13 54.283 . . 1 . . . . 158 K CA . 15567 1 169 . 1 1 16 16 LYS CB C 13 34.677 . . 1 . . . . 158 K CB . 15567 1 170 . 1 1 16 16 LYS CE C 13 41.791 . . 1 . . . . 158 K CE . 15567 1 171 . 1 1 16 16 LYS CG C 13 25.357 . . 1 . . . . 158 K CG . 15567 1 172 . 1 1 16 16 LYS N N 15 122.373 . . 1 . . . . 158 K N . 15567 1 173 . 1 1 17 17 LYS H H 1 8.519 . . 1 . . . . 159 K HN . 15567 1 174 . 1 1 17 17 LYS HA H 1 3.208 . . 1 . . . . 159 K HA . 15567 1 175 . 1 1 17 17 LYS HB2 H 1 1.427 . . 2 . . . . 159 K HB1 . 15567 1 176 . 1 1 17 17 LYS HB3 H 1 1.326 . . 2 . . . . 159 K HB2 . 15567 1 177 . 1 1 17 17 LYS HG2 H 1 0.858 . . 2 . . . . 159 K HG1 . 15567 1 178 . 1 1 17 17 LYS HG3 H 1 0.579 . . 2 . . . . 159 K HG2 . 15567 1 179 . 1 1 17 17 LYS C C 13 176.799 . . 1 . . . . 159 K CO . 15567 1 180 . 1 1 17 17 LYS CA C 13 58.532 . . 1 . . . . 159 K CA . 15567 1 181 . 1 1 17 17 LYS CB C 13 33.471 . . 1 . . . . 159 K CB . 15567 1 182 . 1 1 17 17 LYS CD C 13 31.791 . . 1 . . . . 159 K CD . 15567 1 183 . 1 1 17 17 LYS CG C 13 24.911 . . 1 . . . . 159 K CG . 15567 1 184 . 1 1 17 17 LYS N N 15 123.623 . . 1 . . . . 159 K N . 15567 1 185 . 1 1 18 18 GLY H H 1 7.222 . . 1 . . . . 160 G HN . 15567 1 186 . 1 1 18 18 GLY HA2 H 1 4.578 . . 2 . . . . 160 G HA1 . 15567 1 187 . 1 1 18 18 GLY HA3 H 1 3.950 . . 2 . . . . 160 G HA2 . 15567 1 188 . 1 1 18 18 GLY CA C 13 44.160 . . 1 . . . . 160 G CA . 15567 1 189 . 1 1 18 18 GLY N N 15 111.304 . . 1 . . . . 160 G N . 15567 1 190 . 1 1 19 19 PRO HA H 1 4.307 . . 1 . . . . 161 P HA . 15567 1 191 . 1 1 19 19 PRO HB2 H 1 2.381 . . 2 . . . . 161 P HB1 . 15567 1 192 . 1 1 19 19 PRO HB3 H 1 1.989 . . 2 . . . . 161 P HB2 . 15567 1 193 . 1 1 19 19 PRO HD2 H 1 3.767 . . 2 . . . . 161 P HD1 . 15567 1 194 . 1 1 19 19 PRO HD3 H 1 3.657 . . 2 . . . . 161 P HD2 . 15567 1 195 . 1 1 19 19 PRO HG2 H 1 2.094 . . 2 . . . . 161 P HG1 . 15567 1 196 . 1 1 19 19 PRO HG3 H 1 2.015 . . 2 . . . . 161 P HG2 . 15567 1 197 . 1 1 19 19 PRO C C 13 177.523 . . 1 . . . . 161 P CO . 15567 1 198 . 1 1 19 19 PRO CA C 13 64.766 . . 1 . . . . 161 P CA . 15567 1 199 . 1 1 19 19 PRO CB C 13 31.509 . . 1 . . . . 161 P CB . 15567 1 200 . 1 1 19 19 PRO CD C 13 49.320 . . 1 . . . . 161 P CD . 15567 1 201 . 1 1 19 19 PRO CG C 13 26.661 . . 1 . . . . 161 P CG . 15567 1 202 . 1 1 20 20 SER H H 1 8.462 . . 1 . . . . 162 S HN . 15567 1 203 . 1 1 20 20 SER HA H 1 4.708 . . 1 . . . . 162 S HA . 15567 1 204 . 1 1 20 20 SER HB2 H 1 3.942 . . 2 . . . . 162 S HB1 . 15567 1 205 . 1 1 20 20 SER HB3 H 1 3.851 . . 2 . . . . 162 S HB2 . 15567 1 206 . 1 1 20 20 SER C C 13 173.887 . . 1 . . . . 162 S CO . 15567 1 207 . 1 1 20 20 SER CA C 13 56.541 . . 1 . . . . 162 S CA . 15567 1 208 . 1 1 20 20 SER CB C 13 63.086 . . 1 . . . . 162 S CB . 15567 1 209 . 1 1 20 20 SER N N 15 111.594 . . 1 . . . . 162 S N . 15567 1 210 . 1 1 21 21 GLY H H 1 7.730 . . 1 . . . . 163 G HN . 15567 1 211 . 1 1 21 21 GLY HA2 H 1 4.477 . . 2 . . . . 163 G HA1 . 15567 1 212 . 1 1 21 21 GLY HA3 H 1 3.242 . . 2 . . . . 163 G HA2 . 15567 1 213 . 1 1 21 21 GLY CA C 13 43.895 . . 1 . . . . 163 G CA . 15567 1 214 . 1 1 21 21 GLY N N 15 108.656 . . 1 . . . . 163 G N . 15567 1 215 . 1 1 22 22 TYR H H 1 7.210 . . 1 . . . . 164 Y HN . 15567 1 216 . 1 1 22 22 TYR HA H 1 4.366 . . 1 . . . . 164 Y HA . 15567 1 217 . 1 1 22 22 TYR HB2 H 1 3.358 . . 2 . . . . 164 Y HB1 . 15567 1 218 . 1 1 22 22 TYR HB3 H 1 2.583 . . 2 . . . . 164 Y HB2 . 15567 1 219 . 1 1 22 22 TYR HD1 H 1 7.100 . . 3 . . . . 164 Y HD# . 15567 1 220 . 1 1 22 22 TYR HD2 H 1 7.100 . . 3 . . . . 164 Y HD# . 15567 1 221 . 1 1 22 22 TYR HE1 H 1 6.866 . . 3 . . . . 164 Y HE# . 15567 1 222 . 1 1 22 22 TYR HE2 H 1 6.866 . . 3 . . . . 164 Y HE# . 15567 1 223 . 1 1 22 22 TYR C C 13 176.198 . . 1 . . . . 164 Y CO . 15567 1 224 . 1 1 22 22 TYR CA C 13 60.930 . . 1 . . . . 164 Y CA . 15567 1 225 . 1 1 22 22 TYR CB C 13 40.660 . . 1 . . . . 164 Y CB . 15567 1 226 . 1 1 23 23 GLY H H 1 8.600 . . 1 . . . . 165 G HN . 15567 1 227 . 1 1 23 23 GLY HA2 H 1 4.511 . . 2 . . . . 165 G HA1 . 15567 1 228 . 1 1 23 23 GLY HA3 H 1 3.886 . . 2 . . . . 165 G HA2 . 15567 1 229 . 1 1 23 23 GLY C C 13 172.930 . . 1 . . . . 165 G CO . 15567 1 230 . 1 1 23 23 GLY CA C 13 45.013 . . 1 . . . . 165 G CA . 15567 1 231 . 1 1 23 23 GLY N N 15 103.183 . . 1 . . . . 165 G N . 15567 1 232 . 1 1 24 24 PHE H H 1 6.855 . . 1 . . . . 166 F HN . 15567 1 233 . 1 1 24 24 PHE HA H 1 5.629 . . 1 . . . . 166 F HA . 15567 1 234 . 1 1 24 24 PHE HB2 H 1 3.142 . . 2 . . . . 166 F HB1 . 15567 1 235 . 1 1 24 24 PHE HB3 H 1 2.584 . . 2 . . . . 166 F HB2 . 15567 1 236 . 1 1 24 24 PHE HD1 H 1 6.750 . . 3 . . . . 166 F HD# . 15567 1 237 . 1 1 24 24 PHE HD2 H 1 6.750 . . 3 . . . . 166 F HD# . 15567 1 238 . 1 1 24 24 PHE HE1 H 1 6.935 . . 3 . . . . 166 F HE# . 15567 1 239 . 1 1 24 24 PHE HE2 H 1 6.935 . . 3 . . . . 166 F HE# . 15567 1 240 . 1 1 24 24 PHE HZ H 1 6.892 . . 1 . . . . 166 F HZ . 15567 1 241 . 1 1 24 24 PHE C C 13 172.417 . . 1 . . . . 166 F CO . 15567 1 242 . 1 1 24 24 PHE CA C 13 54.693 . . 1 . . . . 166 F CA . 15567 1 243 . 1 1 24 24 PHE CB C 13 42.235 . . 1 . . . . 166 F CB . 15567 1 244 . 1 1 24 24 PHE N N 15 111.547 . . 1 . . . . 166 F N . 15567 1 245 . 1 1 25 25 ASN H H 1 8.121 . . 1 . . . . 167 N HN . 15567 1 246 . 1 1 25 25 ASN HA H 1 5.097 . . 1 . . . . 167 N HA . 15567 1 247 . 1 1 25 25 ASN HB2 H 1 2.794 . . 2 . . . . 167 N HB1 . 15567 1 248 . 1 1 25 25 ASN HB3 H 1 2.731 . . 2 . . . . 167 N HB2 . 15567 1 249 . 1 1 25 25 ASN HD21 H 1 7.078 . . 2 . . . . 167 N HD21 . 15567 1 250 . 1 1 25 25 ASN HD22 H 1 7.375 . . 2 . . . . 167 N HD22 . 15567 1 251 . 1 1 25 25 ASN C C 13 174.068 . . 1 . . . . 167 N CO . 15567 1 252 . 1 1 25 25 ASN CA C 13 51.521 . . 1 . . . . 167 N CA . 15567 1 253 . 1 1 25 25 ASN CB C 13 41.155 . . 1 . . . . 167 N CB . 15567 1 254 . 1 1 25 25 ASN N N 15 117.619 . . 1 . . . . 167 N N . 15567 1 255 . 1 1 25 25 ASN ND2 N 15 114.423 . . 1 . . . . 167 N ND2 . 15567 1 256 . 1 1 26 26 LEU H H 1 9.287 . . 1 . . . . 168 L HN . 15567 1 257 . 1 1 26 26 LEU HA H 1 5.369 . . 1 . . . . 168 L HA . 15567 1 258 . 1 1 26 26 LEU HB2 H 1 1.948 . . 2 . . . . 168 L HB1 . 15567 1 259 . 1 1 26 26 LEU HB3 H 1 1.851 . . 2 . . . . 168 L HB2 . 15567 1 260 . 1 1 26 26 LEU HD11 H 1 0.835 . . 2 . . . . 168 L HD1* . 15567 1 261 . 1 1 26 26 LEU HD12 H 1 0.835 . . 2 . . . . 168 L HD1* . 15567 1 262 . 1 1 26 26 LEU HD13 H 1 0.835 . . 2 . . . . 168 L HD1* . 15567 1 263 . 1 1 26 26 LEU HD21 H 1 0.719 . . 2 . . . . 168 L HD2* . 15567 1 264 . 1 1 26 26 LEU HD22 H 1 0.719 . . 2 . . . . 168 L HD2* . 15567 1 265 . 1 1 26 26 LEU HD23 H 1 0.719 . . 2 . . . . 168 L HD2* . 15567 1 266 . 1 1 26 26 LEU C C 13 176.491 . . 1 . . . . 168 L CO . 15567 1 267 . 1 1 26 26 LEU CA C 13 54.171 . . 1 . . . . 168 L CA . 15567 1 268 . 1 1 26 26 LEU CB C 13 44.783 . . 1 . . . . 168 L CB . 15567 1 269 . 1 1 26 26 LEU CD1 C 13 25.194 . . 2 . . . . 168 L CD1 . 15567 1 270 . 1 1 26 26 LEU CD2 C 13 23.130 . . 2 . . . . 168 L CD2 . 15567 1 271 . 1 1 26 26 LEU CG C 13 24.665 . . 1 . . . . 168 L CG . 15567 1 272 . 1 1 26 26 LEU N N 15 123.933 . . 1 . . . . 168 L N . 15567 1 273 . 1 1 27 27 HIS H H 1 9.466 . . 1 . . . . 169 H HN . 15567 1 274 . 1 1 27 27 HIS HA H 1 4.922 . . 1 . . . . 169 H HA . 15567 1 275 . 1 1 27 27 HIS HB2 H 1 3.228 . . 2 . . . . 169 H HB1 . 15567 1 276 . 1 1 27 27 HIS CA C 13 56.019 . . 1 . . . . 169 H CA . 15567 1 277 . 1 1 27 27 HIS CB C 13 33.352 . . 1 . . . . 169 H CB . 15567 1 278 . 1 1 27 27 HIS N N 15 119.976 . . 1 . . . . 169 H N . 15567 1 279 . 1 1 28 28 SER HA H 1 4.703 . . 1 . . . . 170 S HA . 15567 1 280 . 1 1 28 28 SER HB2 H 1 3.929 . . 2 . . . . 170 S HB1 . 15567 1 281 . 1 1 28 28 SER HB3 H 1 3.822 . . 2 . . . . 170 S HB2 . 15567 1 282 . 1 1 28 28 SER C C 13 172.451 . . 1 . . . . 170 S CO . 15567 1 283 . 1 1 28 28 SER CA C 13 57.104 . . 1 . . . . 170 S CA . 15567 1 284 . 1 1 28 28 SER CB C 13 63.937 . . 1 . . . . 170 S CB . 15567 1 285 . 1 1 29 29 ASP H H 1 9.230 . . 1 . . . . 171 D HN . 15567 1 286 . 1 1 29 29 ASP HA H 1 4.591 . . 1 . . . . 171 D HA . 15567 1 287 . 1 1 29 29 ASP HB2 H 1 2.786 . . 2 . . . . 171 D HB1 . 15567 1 288 . 1 1 29 29 ASP HB3 H 1 2.192 . . 2 . . . . 171 D HB2 . 15567 1 289 . 1 1 29 29 ASP CA C 13 53.406 . . 1 . . . . 171 D CA . 15567 1 290 . 1 1 29 29 ASP CB C 13 43.831 . . 1 . . . . 171 D CB . 15567 1 291 . 1 1 29 29 ASP N N 15 123.447 . . 1 . . . . 171 D N . 15567 1 292 . 1 1 30 30 LYS HA H 1 4.148 . . 1 . . . . 172 K HA . 15567 1 293 . 1 1 30 30 LYS HB2 H 1 1.849 . . 2 . . . . 172 K HB1 . 15567 1 294 . 1 1 30 30 LYS HB3 H 1 1.767 . . 2 . . . . 172 K HB2 . 15567 1 295 . 1 1 30 30 LYS HD2 H 1 1.644 . . 2 . . . . 172 K HD1 . 15567 1 296 . 1 1 30 30 LYS HE2 H 1 2.982 . . 2 . . . . 172 K HE1 . 15567 1 297 . 1 1 30 30 LYS HG2 H 1 1.445 . . 2 . . . . 172 K HG1 . 15567 1 298 . 1 1 30 30 LYS C C 13 176.768 . . 1 . . . . 172 K CO . 15567 1 299 . 1 1 30 30 LYS CA C 13 57.755 . . 1 . . . . 172 K CA . 15567 1 300 . 1 1 30 30 LYS CB C 13 31.872 . . 1 . . . . 172 K CB . 15567 1 301 . 1 1 31 31 SER H H 1 8.803 . . 1 . . . . 173 S HN . 15567 1 302 . 1 1 31 31 SER HA H 1 4.419 . . 1 . . . . 173 S HA . 15567 1 303 . 1 1 31 31 SER HB2 H 1 3.868 . . 2 . . . . 173 S HB1 . 15567 1 304 . 1 1 31 31 SER C C 13 173.570 . . 1 . . . . 173 S CO . 15567 1 305 . 1 1 31 31 SER CA C 13 59.354 . . 1 . . . . 173 S CA . 15567 1 306 . 1 1 31 31 SER CB C 13 64.113 . . 1 . . . . 173 S CB . 15567 1 307 . 1 1 31 31 SER N N 15 115.001 . . 1 . . . . 173 S N . 15567 1 308 . 1 1 32 32 LYS H H 1 7.893 . . 1 . . . . 174 K HN . 15567 1 309 . 1 1 32 32 LYS HA H 1 4.804 . . 1 . . . . 174 K HA . 15567 1 310 . 1 1 32 32 LYS HB2 H 1 1.861 . . 2 . . . . 174 K HB1 . 15567 1 311 . 1 1 32 32 LYS HB3 H 1 1.659 . . 2 . . . . 174 K HB2 . 15567 1 312 . 1 1 32 32 LYS HE2 H 1 3.061 . . 2 . . . . 174 K HE# . 15567 1 313 . 1 1 32 32 LYS HE3 H 1 3.061 . . 2 . . . . 174 K HE# . 15567 1 314 . 1 1 32 32 LYS HG2 H 1 1.619 . . 2 . . . . 174 K HG1 . 15567 1 315 . 1 1 32 32 LYS HG3 H 1 1.349 . . 2 . . . . 174 K HG2 . 15567 1 316 . 1 1 32 32 LYS CA C 13 53.258 . . 1 . . . . 174 K CA . 15567 1 317 . 1 1 32 32 LYS CB C 13 33.448 . . 1 . . . . 174 K CB . 15567 1 318 . 1 1 32 32 LYS CD C 13 31.791 . . 1 . . . . 174 K CD . 15567 1 319 . 1 1 32 32 LYS CE C 13 43.554 . . 1 . . . . 174 K CE . 15567 1 320 . 1 1 32 32 LYS CG C 13 23.843 . . 1 . . . . 174 K CG . 15567 1 321 . 1 1 32 32 LYS N N 15 122.863 . . 1 . . . . 174 K N . 15567 1 322 . 1 1 33 33 PRO HA H 1 4.592 . . 1 . . . . 175 P HA . 15567 1 323 . 1 1 33 33 PRO HB2 H 1 2.338 . . 2 . . . . 175 P HB1 . 15567 1 324 . 1 1 33 33 PRO HB3 H 1 1.953 . . 2 . . . . 175 P HB2 . 15567 1 325 . 1 1 33 33 PRO HD2 H 1 3.852 . . 2 . . . . 175 P HD1 . 15567 1 326 . 1 1 33 33 PRO HD3 H 1 3.646 . . 2 . . . . 175 P HD2 . 15567 1 327 . 1 1 33 33 PRO HG2 H 1 2.041 . . 2 . . . . 175 P HG1 . 15567 1 328 . 1 1 33 33 PRO HG3 H 1 1.994 . . 2 . . . . 175 P HG2 . 15567 1 329 . 1 1 33 33 PRO C C 13 176.188 . . 1 . . . . 175 P CO . 15567 1 330 . 1 1 33 33 PRO CA C 13 62.823 . . 1 . . . . 175 P CA . 15567 1 331 . 1 1 33 33 PRO CB C 13 32.076 . . 1 . . . . 175 P CB . 15567 1 332 . 1 1 33 33 PRO CD C 13 50.219 . . 1 . . . . 175 P CD . 15567 1 333 . 1 1 33 33 PRO CG C 13 26.548 . . 1 . . . . 175 P CG . 15567 1 334 . 1 1 34 34 GLY H H 1 8.328 . . 1 . . . . 176 G HN . 15567 1 335 . 1 1 34 34 GLY HA2 H 1 4.179 . . 2 . . . . 176 G HA1 . 15567 1 336 . 1 1 34 34 GLY HA3 H 1 3.713 . . 2 . . . . 176 G HA2 . 15567 1 337 . 1 1 34 34 GLY C C 13 172.298 . . 1 . . . . 176 G CO . 15567 1 338 . 1 1 34 34 GLY CA C 13 43.770 . . 1 . . . . 176 G CA . 15567 1 339 . 1 1 34 34 GLY N N 15 108.419 . . 1 . . . . 176 G N . 15567 1 340 . 1 1 35 35 GLN H H 1 8.673 . . 1 . . . . 177 Q HN . 15567 1 341 . 1 1 35 35 GLN HA H 1 4.761 . . 1 . . . . 177 Q HA . 15567 1 342 . 1 1 35 35 GLN HB2 H 1 1.970 . . 2 . . . . 177 Q HB1 . 15567 1 343 . 1 1 35 35 GLN HB3 H 1 1.855 . . 2 . . . . 177 Q HB2 . 15567 1 344 . 1 1 35 35 GLN HE21 H 1 6.850 . . 2 . . . . 177 Q HE21 . 15567 1 345 . 1 1 35 35 GLN HE22 H 1 7.539 . . 2 . . . . 177 Q HE22 . 15567 1 346 . 1 1 35 35 GLN HG2 H 1 2.308 . . 2 . . . . 177 Q HG1 . 15567 1 347 . 1 1 35 35 GLN C C 13 173.569 . . 1 . . . . 177 Q CO . 15567 1 348 . 1 1 35 35 GLN CA C 13 53.731 . . 1 . . . . 177 Q CA . 15567 1 349 . 1 1 35 35 GLN CB C 13 29.555 . . 1 . . . . 177 Q CB . 15567 1 350 . 1 1 35 35 GLN CG C 13 33.246 . . 1 . . . . 177 Q CG . 15567 1 351 . 1 1 35 35 GLN N N 15 117.933 . . 1 . . . . 177 Q N . 15567 1 352 . 1 1 35 35 GLN NE2 N 15 113.337 . . 1 . . . . 177 Q NE2 . 15567 1 353 . 1 1 36 36 PHE H H 1 8.799 . . 1 . . . . 178 F HN . 15567 1 354 . 1 1 36 36 PHE HA H 1 5.447 . . 1 . . . . 178 F HA . 15567 1 355 . 1 1 36 36 PHE HB2 H 1 2.735 . . 2 . . . . 178 F HB1 . 15567 1 356 . 1 1 36 36 PHE HD1 H 1 7.088 . . 3 . . . . 178 F HD# . 15567 1 357 . 1 1 36 36 PHE HD2 H 1 7.088 . . 3 . . . . 178 F HD# . 15567 1 358 . 1 1 36 36 PHE HE1 H 1 7.295 . . 3 . . . . 178 F HE# . 15567 1 359 . 1 1 36 36 PHE HE2 H 1 7.295 . . 3 . . . . 178 F HE# . 15567 1 360 . 1 1 36 36 PHE HZ H 1 7.187 . . 1 . . . . 178 F HZ . 15567 1 361 . 1 1 36 36 PHE C C 13 175.427 . . 1 . . . . 178 F CO . 15567 1 362 . 1 1 36 36 PHE CA C 13 55.349 . . 1 . . . . 178 F CA . 15567 1 363 . 1 1 36 36 PHE CB C 13 42.486 . . 1 . . . . 178 F CB . 15567 1 364 . 1 1 36 36 PHE N N 15 120.404 . . 1 . . . . 178 F N . 15567 1 365 . 1 1 37 37 ILE H H 1 9.203 . . 1 . . . . 179 I HN . 15567 1 366 . 1 1 37 37 ILE HA H 1 4.322 . . 1 . . . . 179 I HA . 15567 1 367 . 1 1 37 37 ILE HB H 1 2.418 . . 1 . . . . 179 I HB . 15567 1 368 . 1 1 37 37 ILE HD11 H 1 0.699 . . 1 . . . . 179 I HD1* . 15567 1 369 . 1 1 37 37 ILE HD12 H 1 0.699 . . 1 . . . . 179 I HD1* . 15567 1 370 . 1 1 37 37 ILE HD13 H 1 0.699 . . 1 . . . . 179 I HD1* . 15567 1 371 . 1 1 37 37 ILE HG12 H 1 1.573 . . 2 . . . . 179 I HG1# . 15567 1 372 . 1 1 37 37 ILE HG13 H 1 1.573 . . 2 . . . . 179 I HG1# . 15567 1 373 . 1 1 37 37 ILE HG21 H 1 1.113 . . 1 . . . . 179 I HG2* . 15567 1 374 . 1 1 37 37 ILE HG22 H 1 1.113 . . 1 . . . . 179 I HG2* . 15567 1 375 . 1 1 37 37 ILE HG23 H 1 1.113 . . 1 . . . . 179 I HG2* . 15567 1 376 . 1 1 37 37 ILE C C 13 176.207 . . 1 . . . . 179 I CO . 15567 1 377 . 1 1 37 37 ILE CA C 13 58.611 . . 1 . . . . 179 I CA . 15567 1 378 . 1 1 37 37 ILE CB C 13 34.911 . . 1 . . . . 179 I CB . 15567 1 379 . 1 1 37 37 ILE CD1 C 13 10.431 . . 1 . . . . 179 I CD1 . 15567 1 380 . 1 1 37 37 ILE N N 15 120.720 . . 1 . . . . 179 I N . 15567 1 381 . 1 1 38 38 ARG H H 1 9.453 . . 1 . . . . 180 R HN . 15567 1 382 . 1 1 38 38 ARG HA H 1 3.951 . . 1 . . . . 180 R HA . 15567 1 383 . 1 1 38 38 ARG HB2 H 1 1.471 . . 2 . . . . 180 R HB1 . 15567 1 384 . 1 1 38 38 ARG HB3 H 1 1.103 . . 2 . . . . 180 R HB2 . 15567 1 385 . 1 1 38 38 ARG HD2 H 1 3.174 . . 2 . . . . 180 R HD1 . 15567 1 386 . 1 1 38 38 ARG HD3 H 1 2.917 . . 2 . . . . 180 R HD2 . 15567 1 387 . 1 1 38 38 ARG HG2 H 1 1.383 . . 2 . . . . 180 R HG1 . 15567 1 388 . 1 1 38 38 ARG HG3 H 1 1.213 . . 2 . . . . 180 R HG2 . 15567 1 389 . 1 1 38 38 ARG C C 13 175.332 . . 1 . . . . 180 R CO . 15567 1 390 . 1 1 38 38 ARG CA C 13 58.035 . . 1 . . . . 180 R CA . 15567 1 391 . 1 1 38 38 ARG CB C 13 30.593 . . 1 . . . . 180 R CB . 15567 1 392 . 1 1 38 38 ARG CD C 13 41.021 . . 1 . . . . 180 R CD . 15567 1 393 . 1 1 38 38 ARG N N 15 132.453 . . 1 . . . . 180 R N . 15567 1 394 . 1 1 39 39 SER H H 1 7.529 . . 1 . . . . 181 S HN . 15567 1 395 . 1 1 39 39 SER HA H 1 4.553 . . 1 . . . . 181 S HA . 15567 1 396 . 1 1 39 39 SER HB2 H 1 3.835 . . 2 . . . . 181 S HB1 . 15567 1 397 . 1 1 39 39 SER C C 13 170.792 . . 1 . . . . 181 S CO . 15567 1 398 . 1 1 39 39 SER CA C 13 56.629 . . 1 . . . . 181 S CA . 15567 1 399 . 1 1 39 39 SER CB C 13 64.756 . . 1 . . . . 181 S CB . 15567 1 400 . 1 1 39 39 SER N N 15 109.145 . . 1 . . . . 181 S N . 15567 1 401 . 1 1 40 40 VAL H H 1 8.595 . . 1 . . . . 182 V HN . 15567 1 402 . 1 1 40 40 VAL HA H 1 4.609 . . 1 . . . . 182 V HA . 15567 1 403 . 1 1 40 40 VAL HB H 1 1.828 . . 1 . . . . 182 V HB . 15567 1 404 . 1 1 40 40 VAL HG11 H 1 0.734 . . 2 . . . . 182 V HG1* . 15567 1 405 . 1 1 40 40 VAL HG12 H 1 0.734 . . 2 . . . . 182 V HG1* . 15567 1 406 . 1 1 40 40 VAL HG13 H 1 0.734 . . 2 . . . . 182 V HG1* . 15567 1 407 . 1 1 40 40 VAL HG21 H 1 0.612 . . 2 . . . . 182 V HG2* . 15567 1 408 . 1 1 40 40 VAL HG22 H 1 0.612 . . 2 . . . . 182 V HG2* . 15567 1 409 . 1 1 40 40 VAL HG23 H 1 0.612 . . 2 . . . . 182 V HG2* . 15567 1 410 . 1 1 40 40 VAL C C 13 175.150 . . 1 . . . . 182 V CO . 15567 1 411 . 1 1 40 40 VAL CA C 13 60.603 . . 1 . . . . 182 V CA . 15567 1 412 . 1 1 40 40 VAL CB C 13 34.480 . . 1 . . . . 182 V CB . 15567 1 413 . 1 1 40 40 VAL CG1 C 13 21.754 . . 2 . . . . 182 V CG1 . 15567 1 414 . 1 1 40 40 VAL CG2 C 13 19.254 . . 2 . . . . 182 V CG2 . 15567 1 415 . 1 1 40 40 VAL N N 15 119.939 . . 1 . . . . 182 V N . 15567 1 416 . 1 1 41 41 ASP H H 1 9.410 . . 1 . . . . 183 D HN . 15567 1 417 . 1 1 41 41 ASP HA H 1 4.770 . . 1 . . . . 183 D HA . 15567 1 418 . 1 1 41 41 ASP HB2 H 1 2.719 . . 2 . . . . 183 D HB1 . 15567 1 419 . 1 1 41 41 ASP HB3 H 1 2.455 . . 2 . . . . 183 D HB2 . 15567 1 420 . 1 1 41 41 ASP CA C 13 52.418 . . 1 . . . . 183 D CA . 15567 1 421 . 1 1 41 41 ASP CB C 13 39.357 . . 1 . . . . 183 D CB . 15567 1 422 . 1 1 41 41 ASP N N 15 129.870 . . 1 . . . . 183 D N . 15567 1 423 . 1 1 42 42 PRO HA H 1 4.551 . . 1 . . . . 184 P HA . 15567 1 424 . 1 1 42 42 PRO HB2 H 1 2.356 . . 2 . . . . 184 P HB1 . 15567 1 425 . 1 1 42 42 PRO HB3 H 1 1.872 . . 2 . . . . 184 P HB2 . 15567 1 426 . 1 1 42 42 PRO HD2 H 1 3.809 . . 2 . . . . 184 P HD1 . 15567 1 427 . 1 1 42 42 PRO HD3 H 1 3.688 . . 2 . . . . 184 P HD2 . 15567 1 428 . 1 1 42 42 PRO HG2 H 1 2.113 . . 2 . . . . 184 P HG2 . 15567 1 429 . 1 1 42 42 PRO C C 13 176.520 . . 1 . . . . 184 P CO . 15567 1 430 . 1 1 42 42 PRO CA C 13 62.915 . . 1 . . . . 184 P CA . 15567 1 431 . 1 1 42 42 PRO CB C 13 31.844 . . 1 . . . . 184 P CB . 15567 1 432 . 1 1 42 42 PRO CD C 13 50.325 . . 1 . . . . 184 P CD . 15567 1 433 . 1 1 42 42 PRO CG C 13 28.792 . . 1 . . . . 184 P CG . 15567 1 434 . 1 1 43 43 ASP H H 1 9.250 . . 1 . . . . 185 D HN . 15567 1 435 . 1 1 43 43 ASP HA H 1 4.356 . . 1 . . . . 185 D HA . 15567 1 436 . 1 1 43 43 ASP HB2 H 1 2.966 . . 2 . . . . 185 D HB1 . 15567 1 437 . 1 1 43 43 ASP HB3 H 1 2.780 . . 2 . . . . 185 D HB2 . 15567 1 438 . 1 1 43 43 ASP C C 13 173.959 . . 1 . . . . 185 D CO . 15567 1 439 . 1 1 43 43 ASP CA C 13 55.638 . . 1 . . . . 185 D CA . 15567 1 440 . 1 1 43 43 ASP CB C 13 39.100 . . 1 . . . . 185 D CB . 15567 1 441 . 1 1 43 43 ASP N N 15 118.710 . . 1 . . . . 185 D N . 15567 1 442 . 1 1 44 44 SER H H 1 7.336 . . 1 . . . . 186 S HN . 15567 1 443 . 1 1 44 44 SER HA H 1 4.953 . . 1 . . . . 186 S HA . 15567 1 444 . 1 1 44 44 SER HB2 H 1 4.569 . . 2 . . . . 186 S HB1 . 15567 1 445 . 1 1 44 44 SER CA C 13 56.329 . . 1 . . . . 186 S CA . 15567 1 446 . 1 1 44 44 SER CB C 13 65.440 . . 1 . . . . 186 S CB . 15567 1 447 . 1 1 44 44 SER N N 15 111.769 . . 1 . . . . 186 S N . 15567 1 448 . 1 1 45 45 PRO HA H 1 4.522 . . 1 . . . . 187 P HA . 15567 1 449 . 1 1 45 45 PRO HB2 H 1 2.924 . . 2 . . . . 187 P HB1 . 15567 1 450 . 1 1 45 45 PRO HB3 H 1 2.276 . . 2 . . . . 187 P HB2 . 15567 1 451 . 1 1 45 45 PRO HD2 H 1 3.885 . . 2 . . . . 187 P HD1 . 15567 1 452 . 1 1 45 45 PRO HD3 H 1 3.793 . . 2 . . . . 187 P HD2 . 15567 1 453 . 1 1 45 45 PRO HG2 H 1 1.891 . . 2 . . . . 187 P HG1 . 15567 1 454 . 1 1 45 45 PRO HG3 H 1 1.715 . . 2 . . . . 187 P HG2 . 15567 1 455 . 1 1 45 45 PRO C C 13 179.929 . . 1 . . . . 187 P CO . 15567 1 456 . 1 1 45 45 PRO CA C 13 65.133 . . 1 . . . . 187 P CA . 15567 1 457 . 1 1 45 45 PRO CB C 13 32.682 . . 1 . . . . 187 P CB . 15567 1 458 . 1 1 45 45 PRO CD C 13 50.208 . . 1 . . . . 187 P CD . 15567 1 459 . 1 1 46 46 ALA H H 1 8.492 . . 1 . . . . 188 A HN . 15567 1 460 . 1 1 46 46 ALA HA H 1 4.378 . . 1 . . . . 188 A HA . 15567 1 461 . 1 1 46 46 ALA HB1 H 1 1.521 . . 1 . . . . 188 A HB1 . 15567 1 462 . 1 1 46 46 ALA HB2 H 1 1.521 . . 1 . . . . 188 A HB1 . 15567 1 463 . 1 1 46 46 ALA HB3 H 1 1.521 . . 1 . . . . 188 A HB1 . 15567 1 464 . 1 1 46 46 ALA C C 13 175.528 . . 1 . . . . 188 A CO . 15567 1 465 . 1 1 46 46 ALA CA C 13 54.584 . . 1 . . . . 188 A CA . 15567 1 466 . 1 1 46 46 ALA CB C 13 19.714 . . 1 . . . . 188 A CB . 15567 1 467 . 1 1 46 46 ALA N N 15 118.684 . . 1 . . . . 188 A N . 15567 1 468 . 1 1 47 47 GLU H H 1 8.266 . . 1 . . . . 189 E HN . 15567 1 469 . 1 1 47 47 GLU HA H 1 3.881 . . 1 . . . . 189 E HA . 15567 1 470 . 1 1 47 47 GLU HB2 H 1 2.329 . . 2 . . . . 189 E HB1 . 15567 1 471 . 1 1 47 47 GLU HB3 H 1 2.232 . . 2 . . . . 189 E HB2 . 15567 1 472 . 1 1 47 47 GLU C C 13 173.891 . . 1 . . . . 189 E CO . 15567 1 473 . 1 1 47 47 GLU CA C 13 59.881 . . 1 . . . . 189 E CA . 15567 1 474 . 1 1 47 47 GLU CB C 13 29.830 . . 1 . . . . 189 E CB . 15567 1 475 . 1 1 47 47 GLU N N 15 122.834 . . 1 . . . . 189 E N . 15567 1 476 . 1 1 48 48 ALA H H 1 8.378 . . 1 . . . . 190 A HN . 15567 1 477 . 1 1 48 48 ALA HA H 1 4.228 . . 1 . . . . 190 A HA . 15567 1 478 . 1 1 48 48 ALA HB1 H 1 1.606 . . 1 . . . . 190 A HB1 . 15567 1 479 . 1 1 48 48 ALA HB2 H 1 1.606 . . 1 . . . . 190 A HB1 . 15567 1 480 . 1 1 48 48 ALA HB3 H 1 1.606 . . 1 . . . . 190 A HB1 . 15567 1 481 . 1 1 48 48 ALA C C 13 178.612 . . 1 . . . . 190 A CO . 15567 1 482 . 1 1 48 48 ALA CA C 13 54.522 . . 1 . . . . 190 A CA . 15567 1 483 . 1 1 48 48 ALA CB C 13 17.980 . . 1 . . . . 190 A CB . 15567 1 484 . 1 1 48 48 ALA N N 15 122.847 . . 1 . . . . 190 A N . 15567 1 485 . 1 1 49 49 SER H H 1 7.949 . . 1 . . . . 191 S HN . 15567 1 486 . 1 1 49 49 SER HA H 1 4.544 . . 1 . . . . 191 S HA . 15567 1 487 . 1 1 49 49 SER HB2 H 1 4.045 . . 2 . . . . 191 S HB1 . 15567 1 488 . 1 1 49 49 SER HB3 H 1 3.997 . . 2 . . . . 191 S HB2 . 15567 1 489 . 1 1 49 49 SER C C 13 174.409 . . 1 . . . . 191 S CO . 15567 1 490 . 1 1 49 49 SER CA C 13 59.717 . . 1 . . . . 191 S CA . 15567 1 491 . 1 1 49 49 SER CB C 13 64.762 . . 1 . . . . 191 S CB . 15567 1 492 . 1 1 49 49 SER N N 15 112.314 . . 1 . . . . 191 S N . 15567 1 493 . 1 1 50 50 GLY H H 1 7.604 . . 1 . . . . 192 G HN . 15567 1 494 . 1 1 50 50 GLY HA2 H 1 4.427 . . 2 . . . . 192 G HA1 . 15567 1 495 . 1 1 50 50 GLY HA3 H 1 3.714 . . 2 . . . . 192 G HA2 . 15567 1 496 . 1 1 50 50 GLY C C 13 173.516 . . 1 . . . . 192 G CO . 15567 1 497 . 1 1 50 50 GLY CA C 13 44.654 . . 1 . . . . 192 G CA . 15567 1 498 . 1 1 50 50 GLY N N 15 107.849 . . 1 . . . . 192 G N . 15567 1 499 . 1 1 51 51 LEU H H 1 7.268 . . 1 . . . . 193 L HN . 15567 1 500 . 1 1 51 51 LEU HA H 1 3.969 . . 1 . . . . 193 L HA . 15567 1 501 . 1 1 51 51 LEU HB2 H 1 1.355 . . 2 . . . . 193 L HB1 . 15567 1 502 . 1 1 51 51 LEU HB3 H 1 1.153 . . 2 . . . . 193 L HB2 . 15567 1 503 . 1 1 51 51 LEU HD11 H 1 0.733 . . 2 . . . . 193 L HD1* . 15567 1 504 . 1 1 51 51 LEU HD12 H 1 0.733 . . 2 . . . . 193 L HD1* . 15567 1 505 . 1 1 51 51 LEU HD13 H 1 0.733 . . 2 . . . . 193 L HD1* . 15567 1 506 . 1 1 51 51 LEU HD21 H 1 0.319 . . 2 . . . . 193 L HD2* . 15567 1 507 . 1 1 51 51 LEU HD22 H 1 0.319 . . 2 . . . . 193 L HD2* . 15567 1 508 . 1 1 51 51 LEU HD23 H 1 0.319 . . 2 . . . . 193 L HD2* . 15567 1 509 . 1 1 51 51 LEU HG H 1 1.148 . . 1 . . . . 193 L HG . 15567 1 510 . 1 1 51 51 LEU C C 13 174.799 . . 1 . . . . 193 L CO . 15567 1 511 . 1 1 51 51 LEU CA C 13 55.198 . . 1 . . . . 193 L CA . 15567 1 512 . 1 1 51 51 LEU CB C 13 43.724 . . 1 . . . . 193 L CB . 15567 1 513 . 1 1 51 51 LEU CD1 C 13 25.697 . . 2 . . . . 193 L CD1 . 15567 1 514 . 1 1 51 51 LEU CG C 13 26.367 . . 1 . . . . 193 L CG . 15567 1 515 . 1 1 51 51 LEU N N 15 124.317 . . 1 . . . . 193 L N . 15567 1 516 . 1 1 52 52 ARG H H 1 8.891 . . 1 . . . . 194 R HN . 15567 1 517 . 1 1 52 52 ARG HA H 1 4.613 . . 1 . . . . 194 R HA . 15567 1 518 . 1 1 52 52 ARG HB2 H 1 1.756 . . 2 . . . . 194 R HB1 . 15567 1 519 . 1 1 52 52 ARG HG2 H 1 1.659 . . 2 . . . . 194 R HG1 . 15567 1 520 . 1 1 52 52 ARG HG3 H 1 1.608 . . 2 . . . . 194 R HG2 . 15567 1 521 . 1 1 52 52 ARG C C 13 174.936 . . 1 . . . . 194 R CO . 15567 1 522 . 1 1 52 52 ARG CA C 13 54.127 . . 1 . . . . 194 R CA . 15567 1 523 . 1 1 52 52 ARG CB C 13 34.156 . . 1 . . . . 194 R CB . 15567 1 524 . 1 1 52 52 ARG N N 15 124.468 . . 1 . . . . 194 R N . 15567 1 525 . 1 1 53 53 ALA H H 1 8.677 . . 1 . . . . 195 A HN . 15567 1 526 . 1 1 53 53 ALA HA H 1 3.682 . . 1 . . . . 195 A HA . 15567 1 527 . 1 1 53 53 ALA HB1 H 1 1.394 . . 1 . . . . 195 A HB1 . 15567 1 528 . 1 1 53 53 ALA HB2 H 1 1.394 . . 1 . . . . 195 A HB1 . 15567 1 529 . 1 1 53 53 ALA HB3 H 1 1.394 . . 1 . . . . 195 A HB1 . 15567 1 530 . 1 1 53 53 ALA C C 13 178.524 . . 1 . . . . 195 A CO . 15567 1 531 . 1 1 53 53 ALA CA C 13 53.523 . . 1 . . . . 195 A CA . 15567 1 532 . 1 1 53 53 ALA CB C 13 17.963 . . 1 . . . . 195 A CB . 15567 1 533 . 1 1 53 53 ALA N N 15 122.213 . . 1 . . . . 195 A N . 15567 1 534 . 1 1 54 54 GLN H H 1 9.490 . . 1 . . . . 196 Q HN . 15567 1 535 . 1 1 54 54 GLN HA H 1 4.032 . . 1 . . . . 196 Q HA . 15567 1 536 . 1 1 54 54 GLN HB2 H 1 1.930 . . 2 . . . . 196 Q HB1 . 15567 1 537 . 1 1 54 54 GLN HE21 H 1 6.880 . . 2 . . . . 196 Q HE21 . 15567 1 538 . 1 1 54 54 GLN HE22 H 1 7.604 . . 2 . . . . 196 Q HE22 . 15567 1 539 . 1 1 54 54 GLN HG2 H 1 2.416 . . 2 . . . . 196 Q HG1 . 15567 1 540 . 1 1 54 54 GLN HG3 H 1 2.341 . . 2 . . . . 196 Q HG2 . 15567 1 541 . 1 1 54 54 GLN C C 13 174.503 . . 1 . . . . 196 Q CO . 15567 1 542 . 1 1 54 54 GLN CA C 13 58.036 . . 1 . . . . 196 Q CA . 15567 1 543 . 1 1 54 54 GLN CB C 13 26.208 . . 1 . . . . 196 Q CB . 15567 1 544 . 1 1 54 54 GLN N N 15 115.882 . . 1 . . . . 196 Q N . 15567 1 545 . 1 1 54 54 GLN NE2 N 15 112.115 . . 1 . . . . 196 Q NE2 . 15567 1 546 . 1 1 55 55 ASP H H 1 7.798 . . 1 . . . . 197 D HN . 15567 1 547 . 1 1 55 55 ASP HA H 1 4.757 . . 1 . . . . 197 D HA . 15567 1 548 . 1 1 55 55 ASP HB2 H 1 2.749 . . 2 . . . . 197 D HB1 . 15567 1 549 . 1 1 55 55 ASP HB3 H 1 2.121 . . 2 . . . . 197 D HB2 . 15567 1 550 . 1 1 55 55 ASP C C 13 174.629 . . 1 . . . . 197 D CO . 15567 1 551 . 1 1 55 55 ASP CA C 13 55.315 . . 1 . . . . 197 D CA . 15567 1 552 . 1 1 55 55 ASP CB C 13 41.416 . . 1 . . . . 197 D CB . 15567 1 553 . 1 1 55 55 ASP N N 15 121.039 . . 1 . . . . 197 D N . 15567 1 554 . 1 1 56 56 ARG H H 1 8.938 . . 1 . . . . 198 R HN . 15567 1 555 . 1 1 56 56 ARG HA H 1 4.430 . . 1 . . . . 198 R HA . 15567 1 556 . 1 1 56 56 ARG HB2 H 1 1.648 . . 2 . . . . 198 R HB1 . 15567 1 557 . 1 1 56 56 ARG C C 13 174.400 . . 1 . . . . 198 R CO . 15567 1 558 . 1 1 56 56 ARG CA C 13 54.273 . . 1 . . . . 198 R CA . 15567 1 559 . 1 1 56 56 ARG CB C 13 32.499 . . 1 . . . . 198 R CB . 15567 1 560 . 1 1 56 56 ARG N N 15 122.032 . . 1 . . . . 198 R N . 15567 1 561 . 1 1 57 57 ILE H H 1 8.179 . . 1 . . . . 199 I HN . 15567 1 562 . 1 1 57 57 ILE HA H 1 3.746 . . 1 . . . . 199 I HA . 15567 1 563 . 1 1 57 57 ILE HB H 1 1.556 . . 1 . . . . 199 I HB . 15567 1 564 . 1 1 57 57 ILE HD11 H 1 0.534 . . 1 . . . . 199 I HD1* . 15567 1 565 . 1 1 57 57 ILE HD12 H 1 0.534 . . 1 . . . . 199 I HD1* . 15567 1 566 . 1 1 57 57 ILE HD13 H 1 0.534 . . 1 . . . . 199 I HD1* . 15567 1 567 . 1 1 57 57 ILE HG12 H 1 1.389 . . 2 . . . . 199 I HG1# . 15567 1 568 . 1 1 57 57 ILE HG13 H 1 1.389 . . 2 . . . . 199 I HG1# . 15567 1 569 . 1 1 57 57 ILE HG21 H 1 0.559 . . 1 . . . . 199 I HG2* . 15567 1 570 . 1 1 57 57 ILE HG22 H 1 0.559 . . 1 . . . . 199 I HG2* . 15567 1 571 . 1 1 57 57 ILE HG23 H 1 0.559 . . 1 . . . . 199 I HG2* . 15567 1 572 . 1 1 57 57 ILE C C 13 174.272 . . 1 . . . . 199 I CO . 15567 1 573 . 1 1 57 57 ILE CA C 13 62.349 . . 1 . . . . 199 I CA . 15567 1 574 . 1 1 57 57 ILE CB C 13 38.071 . . 1 . . . . 199 I CB . 15567 1 575 . 1 1 57 57 ILE CD1 C 13 14.264 . . 1 . . . . 199 I CD1 . 15567 1 576 . 1 1 57 57 ILE CG1 C 13 27.635 . . 1 . . . . 199 I CG1 . 15567 1 577 . 1 1 57 57 ILE CG2 C 13 18.181 . . 1 . . . . 199 I CG2 . 15567 1 578 . 1 1 57 57 ILE N N 15 124.246 . . 1 . . . . 199 I N . 15567 1 579 . 1 1 58 58 VAL H H 1 9.389 . . 1 . . . . 200 V HN . 15567 1 580 . 1 1 58 58 VAL HA H 1 4.107 . . 1 . . . . 200 V HA . 15567 1 581 . 1 1 58 58 VAL HB H 1 1.813 . . 1 . . . . 200 V HB . 15567 1 582 . 1 1 58 58 VAL HG11 H 1 0.939 . . 2 . . . . 200 V HG1* . 15567 1 583 . 1 1 58 58 VAL HG12 H 1 0.939 . . 2 . . . . 200 V HG1* . 15567 1 584 . 1 1 58 58 VAL HG13 H 1 0.939 . . 2 . . . . 200 V HG1* . 15567 1 585 . 1 1 58 58 VAL HG21 H 1 0.779 . . 2 . . . . 200 V HG2* . 15567 1 586 . 1 1 58 58 VAL HG22 H 1 0.779 . . 2 . . . . 200 V HG2* . 15567 1 587 . 1 1 58 58 VAL HG23 H 1 0.779 . . 2 . . . . 200 V HG2* . 15567 1 588 . 1 1 58 58 VAL C C 13 176.755 . . 1 . . . . 200 V CO . 15567 1 589 . 1 1 58 58 VAL CA C 13 63.067 . . 1 . . . . 200 V CA . 15567 1 590 . 1 1 58 58 VAL CB C 13 32.894 . . 1 . . . . 200 V CB . 15567 1 591 . 1 1 58 58 VAL CG1 C 13 20.907 . . 2 . . . . 200 V CG1 . 15567 1 592 . 1 1 58 58 VAL N N 15 127.780 . . 1 . . . . 200 V N . 15567 1 593 . 1 1 59 59 GLU H H 1 7.850 . . 1 . . . . 201 E HN . 15567 1 594 . 1 1 59 59 GLU HA H 1 5.126 . . 1 . . . . 201 E HA . 15567 1 595 . 1 1 59 59 GLU HB2 H 1 1.846 . . 2 . . . . 201 E HB1 . 15567 1 596 . 1 1 59 59 GLU HB3 H 1 1.495 . . 2 . . . . 201 E HB2 . 15567 1 597 . 1 1 59 59 GLU HG2 H 1 1.914 . . 2 . . . . 201 E HG2 . 15567 1 598 . 1 1 59 59 GLU C C 13 175.123 . . 1 . . . . 201 E CO . 15567 1 599 . 1 1 59 59 GLU CA C 13 54.610 . . 1 . . . . 201 E CA . 15567 1 600 . 1 1 59 59 GLU CB C 13 34.407 . . 1 . . . . 201 E CB . 15567 1 601 . 1 1 59 59 GLU CG C 13 35.399 . . 1 . . . . 201 E CG . 15567 1 602 . 1 1 59 59 GLU N N 15 116.847 . . 1 . . . . 201 E N . 15567 1 603 . 1 1 60 60 VAL H H 1 8.110 . . 1 . . . . 202 V HN . 15567 1 604 . 1 1 60 60 VAL HA H 1 4.433 . . 1 . . . . 202 V HA . 15567 1 605 . 1 1 60 60 VAL HB H 1 1.778 . . 1 . . . . 202 V HB . 15567 1 606 . 1 1 60 60 VAL HG11 H 1 0.827 . . 2 . . . . 202 V HG1* . 15567 1 607 . 1 1 60 60 VAL HG12 H 1 0.827 . . 2 . . . . 202 V HG1* . 15567 1 608 . 1 1 60 60 VAL HG13 H 1 0.827 . . 2 . . . . 202 V HG1* . 15567 1 609 . 1 1 60 60 VAL HG21 H 1 0.665 . . 2 . . . . 202 V HG2* . 15567 1 610 . 1 1 60 60 VAL HG22 H 1 0.665 . . 2 . . . . 202 V HG2* . 15567 1 611 . 1 1 60 60 VAL HG23 H 1 0.665 . . 2 . . . . 202 V HG2* . 15567 1 612 . 1 1 60 60 VAL C C 13 175.772 . . 1 . . . . 202 V CO . 15567 1 613 . 1 1 60 60 VAL CA C 13 60.952 . . 1 . . . . 202 V CA . 15567 1 614 . 1 1 60 60 VAL CB C 13 33.802 . . 1 . . . . 202 V CB . 15567 1 615 . 1 1 60 60 VAL CG1 C 13 20.933 . . 2 . . . . 202 V CG1 . 15567 1 616 . 1 1 60 60 VAL N N 15 118.751 . . 1 . . . . 202 V N . 15567 1 617 . 1 1 61 61 ASN H H 1 9.900 . . 1 . . . . 203 N HN . 15567 1 618 . 1 1 61 61 ASN HA H 1 4.312 . . 1 . . . . 203 N HA . 15567 1 619 . 1 1 61 61 ASN HB2 H 1 2.978 . . 2 . . . . 203 N HB1 . 15567 1 620 . 1 1 61 61 ASN HB3 H 1 2.890 . . 2 . . . . 203 N HB2 . 15567 1 621 . 1 1 61 61 ASN C C 13 174.718 . . 1 . . . . 203 N CO . 15567 1 622 . 1 1 61 61 ASN CA C 13 54.260 . . 1 . . . . 203 N CA . 15567 1 623 . 1 1 61 61 ASN CB C 13 36.965 . . 1 . . . . 203 N CB . 15567 1 624 . 1 1 61 61 ASN N N 15 128.765 . . 1 . . . . 203 N N . 15567 1 625 . 1 1 62 62 GLY H H 1 9.192 . . 1 . . . . 204 G HN . 15567 1 626 . 1 1 62 62 GLY HA2 H 1 3.979 . . 2 . . . . 204 G HA1 . 15567 1 627 . 1 1 62 62 GLY HA3 H 1 3.734 . . 2 . . . . 204 G HA2 . 15567 1 628 . 1 1 62 62 GLY C C 13 173.240 . . 1 . . . . 204 G CO . 15567 1 629 . 1 1 62 62 GLY CA C 13 44.996 . . 1 . . . . 204 G CA . 15567 1 630 . 1 1 62 62 GLY N N 15 103.295 . . 1 . . . . 204 G N . 15567 1 631 . 1 1 63 63 VAL H H 1 7.792 . . 1 . . . . 205 V HN . 15567 1 632 . 1 1 63 63 VAL HA H 1 4.085 . . 1 . . . . 205 V HA . 15567 1 633 . 1 1 63 63 VAL HB H 1 1.951 . . 1 . . . . 205 V HB . 15567 1 634 . 1 1 63 63 VAL HG11 H 1 0.887 . . 2 . . . . 205 V HG1* . 15567 1 635 . 1 1 63 63 VAL HG12 H 1 0.887 . . 2 . . . . 205 V HG1* . 15567 1 636 . 1 1 63 63 VAL HG13 H 1 0.887 . . 2 . . . . 205 V HG1* . 15567 1 637 . 1 1 63 63 VAL C C 13 174.605 . . 1 . . . . 205 V CO . 15567 1 638 . 1 1 63 63 VAL CA C 13 61.373 . . 1 . . . . 205 V CA . 15567 1 639 . 1 1 63 63 VAL CB C 13 32.623 . . 1 . . . . 205 V CB . 15567 1 640 . 1 1 63 63 VAL CG1 C 13 20.801 . . 2 . . . . 205 V CG1 . 15567 1 641 . 1 1 63 63 VAL CG2 C 13 19.320 . . 2 . . . . 205 V CG2 . 15567 1 642 . 1 1 63 63 VAL N N 15 122.193 . . 1 . . . . 205 V N . 15567 1 643 . 1 1 64 64 CYS H H 1 8.878 . . 1 . . . . 206 C HN . 15567 1 644 . 1 1 64 64 CYS HA H 1 4.265 . . 1 . . . . 206 C HA . 15567 1 645 . 1 1 64 64 CYS HB2 H 1 3.193 . . 2 . . . . 206 C HB1 . 15567 1 646 . 1 1 64 64 CYS HB3 H 1 2.853 . . 2 . . . . 206 C HB2 . 15567 1 647 . 1 1 64 64 CYS C C 13 176.086 . . 1 . . . . 206 C CO . 15567 1 648 . 1 1 64 64 CYS CA C 13 61.148 . . 1 . . . . 206 C CA . 15567 1 649 . 1 1 64 64 CYS CB C 13 27.938 . . 1 . . . . 206 C CB . 15567 1 650 . 1 1 64 64 CYS N N 15 128.575 . . 1 . . . . 206 C N . 15567 1 651 . 1 1 65 65 MET H H 1 8.413 . . 1 . . . . 207 M HN . 15567 1 652 . 1 1 65 65 MET HA H 1 4.877 . . 1 . . . . 207 M HA . 15567 1 653 . 1 1 65 65 MET HB2 H 1 2.010 . . 2 . . . . 207 M HB1 . 15567 1 654 . 1 1 65 65 MET CA C 13 52.697 . . 1 . . . . 207 M CA . 15567 1 655 . 1 1 65 65 MET CB C 13 33.908 . . 1 . . . . 207 M CB . 15567 1 656 . 1 1 65 65 MET N N 15 125.926 . . 1 . . . . 207 M N . 15567 1 657 . 1 1 66 66 GLU H H 1 8.768 . . 1 . . . . 208 E HN . 15567 1 658 . 1 1 66 66 GLU HA H 1 4.187 . . 1 . . . . 208 E HA . 15567 1 659 . 1 1 66 66 GLU HB2 H 1 2.064 . . 2 . . . . 208 E HB1 . 15567 1 660 . 1 1 66 66 GLU HB3 H 1 1.968 . . 2 . . . . 208 E HB2 . 15567 1 661 . 1 1 66 66 GLU HG2 H 1 2.268 . . 2 . . . . 208 E HG1 . 15567 1 662 . 1 1 66 66 GLU C C 13 177.644 . . 1 . . . . 208 E CO . 15567 1 663 . 1 1 66 66 GLU CA C 13 58.586 . . 1 . . . . 208 E CA . 15567 1 664 . 1 1 66 66 GLU CB C 13 28.916 . . 1 . . . . 208 E CB . 15567 1 665 . 1 1 67 67 GLY H H 1 9.144 . . 1 . . . . 209 G HN . 15567 1 666 . 1 1 67 67 GLY HA2 H 1 4.156 . . 2 . . . . 209 G HA1 . 15567 1 667 . 1 1 67 67 GLY HA3 H 1 3.746 . . 2 . . . . 209 G HA2 . 15567 1 668 . 1 1 67 67 GLY C C 13 173.880 . . 1 . . . . 209 G CO . 15567 1 669 . 1 1 67 67 GLY CA C 13 45.339 . . 1 . . . . 209 G CA . 15567 1 670 . 1 1 67 67 GLY N N 15 114.503 . . 1 . . . . 209 G N . 15567 1 671 . 1 1 68 68 LYS H H 1 7.585 . . 1 . . . . 210 K HN . 15567 1 672 . 1 1 68 68 LYS HA H 1 4.550 . . 1 . . . . 210 K HA . 15567 1 673 . 1 1 68 68 LYS HB2 H 1 1.941 . . 2 . . . . 210 K HB1 . 15567 1 674 . 1 1 68 68 LYS HG2 H 1 1.279 . . 2 . . . . 210 K HG1 . 15567 1 675 . 1 1 68 68 LYS C C 13 176.239 . . 1 . . . . 210 K CO . 15567 1 676 . 1 1 68 68 LYS CA C 13 54.802 . . 1 . . . . 210 K CA . 15567 1 677 . 1 1 68 68 LYS CB C 13 32.493 . . 1 . . . . 210 K CB . 15567 1 678 . 1 1 68 68 LYS CG C 13 25.763 . . 1 . . . . 210 K CG . 15567 1 679 . 1 1 68 68 LYS N N 15 119.299 . . 1 . . . . 210 K N . 15567 1 680 . 1 1 69 69 GLN H H 1 9.176 . . 1 . . . . 211 Q HN . 15567 1 681 . 1 1 69 69 GLN HA H 1 4.534 . . 1 . . . . 211 Q HA . 15567 1 682 . 1 1 69 69 GLN HB2 H 1 2.463 . . 2 . . . . 211 Q HB1 . 15567 1 683 . 1 1 69 69 GLN HB3 H 1 2.030 . . 2 . . . . 211 Q HB2 . 15567 1 684 . 1 1 69 69 GLN HE21 H 1 6.979 . . 2 . . . . 211 Q HE21 . 15567 1 685 . 1 1 69 69 GLN HE22 H 1 7.689 . . 2 . . . . 211 Q HE22 . 15567 1 686 . 1 1 69 69 GLN HG2 H 1 2.522 . . 2 . . . . 211 Q HG1 . 15567 1 687 . 1 1 69 69 GLN HG3 H 1 2.476 . . 2 . . . . 211 Q HG2 . 15567 1 688 . 1 1 69 69 GLN C C 13 176.499 . . 1 . . . . 211 Q CO . 15567 1 689 . 1 1 69 69 GLN CA C 13 54.286 . . 1 . . . . 211 Q CA . 15567 1 690 . 1 1 69 69 GLN CB C 13 30.414 . . 1 . . . . 211 Q CB . 15567 1 691 . 1 1 69 69 GLN CG C 13 33.826 . . 1 . . . . 211 Q CG . 15567 1 692 . 1 1 69 69 GLN N N 15 119.518 . . 1 . . . . 211 Q N . 15567 1 693 . 1 1 69 69 GLN NE2 N 15 114.132 . . 1 . . . . 211 Q NE2 . 15567 1 694 . 1 1 70 70 HIS H H 1 9.097 . . 1 . . . . 212 H HN . 15567 1 695 . 1 1 70 70 HIS HA H 1 3.866 . . 1 . . . . 212 H HA . 15567 1 696 . 1 1 70 70 HIS HB2 H 1 3.310 . . 2 . . . . 212 H HB1 . 15567 1 697 . 1 1 70 70 HIS HB3 H 1 3.087 . . 2 . . . . 212 H HB2 . 15567 1 698 . 1 1 70 70 HIS C C 13 176.987 . . 1 . . . . 212 H CO . 15567 1 699 . 1 1 70 70 HIS CA C 13 61.326 . . 1 . . . . 212 H CA . 15567 1 700 . 1 1 70 70 HIS CB C 13 30.480 . . 1 . . . . 212 H CB . 15567 1 701 . 1 1 70 70 HIS N N 15 122.474 . . 1 . . . . 212 H N . 15567 1 702 . 1 1 71 71 GLY H H 1 9.138 . . 1 . . . . 213 G HN . 15567 1 703 . 1 1 71 71 GLY HA2 H 1 3.930 . . 2 . . . . 213 G HA1 . 15567 1 704 . 1 1 71 71 GLY HA3 H 1 3.693 . . 2 . . . . 213 G HA2 . 15567 1 705 . 1 1 71 71 GLY C C 13 176.374 . . 1 . . . . 213 G CO . 15567 1 706 . 1 1 71 71 GLY CA C 13 46.837 . . 1 . . . . 213 G CA . 15567 1 707 . 1 1 71 71 GLY N N 15 103.821 . . 1 . . . . 213 G N . 15567 1 708 . 1 1 72 72 ASP H H 1 7.344 . . 1 . . . . 214 D HN . 15567 1 709 . 1 1 72 72 ASP HA H 1 4.499 . . 1 . . . . 214 D HA . 15567 1 710 . 1 1 72 72 ASP HB2 H 1 3.016 . . 2 . . . . 214 D HB1 . 15567 1 711 . 1 1 72 72 ASP HB3 H 1 2.650 . . 2 . . . . 214 D HB2 . 15567 1 712 . 1 1 72 72 ASP C C 13 178.391 . . 1 . . . . 214 D CO . 15567 1 713 . 1 1 72 72 ASP CA C 13 56.650 . . 1 . . . . 214 D CA . 15567 1 714 . 1 1 72 72 ASP CB C 13 41.284 . . 1 . . . . 214 D CB . 15567 1 715 . 1 1 72 72 ASP N N 15 120.357 . . 1 . . . . 214 D N . 15567 1 716 . 1 1 73 73 VAL H H 1 7.697 . . 1 . . . . 215 V HN . 15567 1 717 . 1 1 73 73 VAL HA H 1 3.804 . . 1 . . . . 215 V HA . 15567 1 718 . 1 1 73 73 VAL HB H 1 2.064 . . 1 . . . . 215 V HB . 15567 1 719 . 1 1 73 73 VAL HG11 H 1 0.887 . . 2 . . . . 215 V HG1* . 15567 1 720 . 1 1 73 73 VAL HG12 H 1 0.887 . . 2 . . . . 215 V HG1* . 15567 1 721 . 1 1 73 73 VAL HG13 H 1 0.887 . . 2 . . . . 215 V HG1* . 15567 1 722 . 1 1 73 73 VAL HG21 H 1 0.784 . . 2 . . . . 215 V HG2* . 15567 1 723 . 1 1 73 73 VAL HG22 H 1 0.784 . . 2 . . . . 215 V HG2* . 15567 1 724 . 1 1 73 73 VAL HG23 H 1 0.784 . . 2 . . . . 215 V HG2* . 15567 1 725 . 1 1 73 73 VAL C C 13 177.258 . . 1 . . . . 215 V CO . 15567 1 726 . 1 1 73 73 VAL CA C 13 65.957 . . 1 . . . . 215 V CA . 15567 1 727 . 1 1 73 73 VAL CB C 13 31.411 . . 1 . . . . 215 V CB . 15567 1 728 . 1 1 73 73 VAL CG1 C 13 22.280 . . 2 . . . . 215 V CG1 . 15567 1 729 . 1 1 73 73 VAL CG2 C 13 21.473 . . 2 . . . . 215 V CG2 . 15567 1 730 . 1 1 73 73 VAL N N 15 123.318 . . 1 . . . . 215 V N . 15567 1 731 . 1 1 74 74 VAL H H 1 8.144 . . 1 . . . . 216 V HN . 15567 1 732 . 1 1 74 74 VAL HA H 1 3.474 . . 1 . . . . 216 V HA . 15567 1 733 . 1 1 74 74 VAL HB H 1 1.932 . . 1 . . . . 216 V HB . 15567 1 734 . 1 1 74 74 VAL HG11 H 1 0.882 . . 2 . . . . 216 V HG1* . 15567 1 735 . 1 1 74 74 VAL HG12 H 1 0.882 . . 2 . . . . 216 V HG1* . 15567 1 736 . 1 1 74 74 VAL HG13 H 1 0.882 . . 2 . . . . 216 V HG1* . 15567 1 737 . 1 1 74 74 VAL HG21 H 1 0.744 . . 2 . . . . 216 V HG2* . 15567 1 738 . 1 1 74 74 VAL HG22 H 1 0.744 . . 2 . . . . 216 V HG2* . 15567 1 739 . 1 1 74 74 VAL HG23 H 1 0.744 . . 2 . . . . 216 V HG2* . 15567 1 740 . 1 1 74 74 VAL C C 13 178.839 . . 1 . . . . 216 V CO . 15567 1 741 . 1 1 74 74 VAL CA C 13 66.866 . . 1 . . . . 216 V CA . 15567 1 742 . 1 1 74 74 VAL CB C 13 31.496 . . 1 . . . . 216 V CB . 15567 1 743 . 1 1 74 74 VAL CG1 C 13 22.150 . . 2 . . . . 216 V CG1 . 15567 1 744 . 1 1 74 74 VAL CG2 C 13 20.811 . . 2 . . . . 216 V CG2 . 15567 1 745 . 1 1 74 74 VAL N N 15 118.785 . . 1 . . . . 216 V N . 15567 1 746 . 1 1 75 75 SER H H 1 8.153 . . 1 . . . . 217 S HN . 15567 1 747 . 1 1 75 75 SER HA H 1 4.131 . . 1 . . . . 217 S HA . 15567 1 748 . 1 1 75 75 SER HB2 H 1 3.964 . . 2 . . . . 217 S HB1 . 15567 1 749 . 1 1 75 75 SER HB3 H 1 3.492 . . 2 . . . . 217 S HB2 . 15567 1 750 . 1 1 75 75 SER C C 13 176.246 . . 1 . . . . 217 S CO . 15567 1 751 . 1 1 75 75 SER CA C 13 62.198 . . 1 . . . . 217 S CA . 15567 1 752 . 1 1 75 75 SER CB C 13 65.986 . . 1 . . . . 217 S CB . 15567 1 753 . 1 1 75 75 SER N N 15 115.428 . . 1 . . . . 217 S N . 15567 1 754 . 1 1 76 76 ALA H H 1 7.873 . . 1 . . . . 218 A HN . 15567 1 755 . 1 1 76 76 ALA HA H 1 4.220 . . 1 . . . . 218 A HA . 15567 1 756 . 1 1 76 76 ALA HB1 H 1 1.590 . . 1 . . . . 218 A HB1 . 15567 1 757 . 1 1 76 76 ALA HB2 H 1 1.517 . . 1 . . . . 218 A HB2 . 15567 1 758 . 1 1 76 76 ALA HB3 H 1 1.517 . . 1 . . . . 218 A HB2 . 15567 1 759 . 1 1 76 76 ALA C C 13 180.251 . . 1 . . . . 218 A CO . 15567 1 760 . 1 1 76 76 ALA CA C 13 54.649 . . 1 . . . . 218 A CA . 15567 1 761 . 1 1 76 76 ALA CB C 13 17.519 . . 1 . . . . 218 A CB . 15567 1 762 . 1 1 76 76 ALA N N 15 125.449 . . 1 . . . . 218 A N . 15567 1 763 . 1 1 77 77 ILE H H 1 8.357 . . 1 . . . . 219 I HN . 15567 1 764 . 1 1 77 77 ILE HA H 1 3.511 . . 1 . . . . 219 I HA . 15567 1 765 . 1 1 77 77 ILE HB H 1 2.010 . . 1 . . . . 219 I HB . 15567 1 766 . 1 1 77 77 ILE HD11 H 1 0.859 . . 1 . . . . 219 I HD1* . 15567 1 767 . 1 1 77 77 ILE HD12 H 1 0.859 . . 1 . . . . 219 I HD1* . 15567 1 768 . 1 1 77 77 ILE HD13 H 1 0.859 . . 1 . . . . 219 I HD1* . 15567 1 769 . 1 1 77 77 ILE HG12 H 1 1.554 . . 2 . . . . 219 I HG1# . 15567 1 770 . 1 1 77 77 ILE HG13 H 1 1.554 . . 2 . . . . 219 I HG1# . 15567 1 771 . 1 1 77 77 ILE HG21 H 1 0.997 . . 1 . . . . 219 I HG2* . 15567 1 772 . 1 1 77 77 ILE HG22 H 1 0.997 . . 1 . . . . 219 I HG2* . 15567 1 773 . 1 1 77 77 ILE HG23 H 1 0.997 . . 1 . . . . 219 I HG2* . 15567 1 774 . 1 1 77 77 ILE C C 13 181.394 . . 1 . . . . 219 I CO . 15567 1 775 . 1 1 77 77 ILE CA C 13 65.003 . . 1 . . . . 219 I CA . 15567 1 776 . 1 1 77 77 ILE CB C 13 38.374 . . 1 . . . . 219 I CB . 15567 1 777 . 1 1 77 77 ILE CD1 C 13 14.015 . . 1 . . . . 219 I CD1 . 15567 1 778 . 1 1 77 77 ILE CG2 C 13 16.668 . . 1 . . . . 219 I CG2 . 15567 1 779 . 1 1 77 77 ILE N N 15 119.293 . . 1 . . . . 219 I N . 15567 1 780 . 1 1 78 78 ARG H H 1 8.817 . . 1 . . . . 220 R HN . 15567 1 781 . 1 1 78 78 ARG HA H 1 4.162 . . 1 . . . . 220 R HA . 15567 1 782 . 1 1 78 78 ARG HB2 H 1 2.023 . . 2 . . . . 220 R HB1 . 15567 1 783 . 1 1 78 78 ARG HB3 H 1 1.992 . . 2 . . . . 220 R HB2 . 15567 1 784 . 1 1 78 78 ARG HD2 H 1 3.218 . . 2 . . . . 220 R HD1 . 15567 1 785 . 1 1 78 78 ARG HG2 H 1 1.880 . . 2 . . . . 220 R HG1 . 15567 1 786 . 1 1 78 78 ARG C C 13 178.163 . . 1 . . . . 220 R CO . 15567 1 787 . 1 1 78 78 ARG CA C 13 59.499 . . 1 . . . . 220 R CA . 15567 1 788 . 1 1 78 78 ARG CB C 13 30.018 . . 1 . . . . 220 R CB . 15567 1 789 . 1 1 78 78 ARG CG C 13 29.309 . . 1 . . . . 220 R CG . 15567 1 790 . 1 1 78 78 ARG N N 15 124.633 . . 1 . . . . 220 R N . 15567 1 791 . 1 1 79 79 ALA H H 1 8.207 . . 1 . . . . 221 A HN . 15567 1 792 . 1 1 79 79 ALA HA H 1 4.223 . . 1 . . . . 221 A HA . 15567 1 793 . 1 1 79 79 ALA HB1 H 1 1.543 . . 1 . . . . 221 A HB1 . 15567 1 794 . 1 1 79 79 ALA HB2 H 1 1.543 . . 1 . . . . 221 A HB1 . 15567 1 795 . 1 1 79 79 ALA HB3 H 1 1.543 . . 1 . . . . 221 A HB1 . 15567 1 796 . 1 1 79 79 ALA C C 13 178.343 . . 1 . . . . 221 A CO . 15567 1 797 . 1 1 79 79 ALA CA C 13 54.107 . . 1 . . . . 221 A CA . 15567 1 798 . 1 1 79 79 ALA CB C 13 18.055 . . 1 . . . . 221 A CB . 15567 1 799 . 1 1 79 79 ALA N N 15 120.984 . . 1 . . . . 221 A N . 15567 1 800 . 1 1 80 80 GLY H H 1 7.239 . . 1 . . . . 222 G HN . 15567 1 801 . 1 1 80 80 GLY HA2 H 1 4.287 . . 2 . . . . 222 G HA1 . 15567 1 802 . 1 1 80 80 GLY C C 13 174.203 . . 1 . . . . 222 G CO . 15567 1 803 . 1 1 80 80 GLY CA C 13 44.921 . . 1 . . . . 222 G CA . 15567 1 804 . 1 1 80 80 GLY N N 15 102.308 . . 1 . . . . 222 G N . 15567 1 805 . 1 1 81 81 GLY H H 1 7.873 . . 1 . . . . 223 G HN . 15567 1 806 . 1 1 81 81 GLY HA2 H 1 4.229 . . 2 . . . . 223 G HA1 . 15567 1 807 . 1 1 81 81 GLY HA3 H 1 3.735 . . 2 . . . . 223 G HA2 . 15567 1 808 . 1 1 81 81 GLY C C 13 174.031 . . 1 . . . . 223 G CO . 15567 1 809 . 1 1 81 81 GLY CA C 13 46.465 . . 1 . . . . 223 G CA . 15567 1 810 . 1 1 81 81 GLY N N 15 107.624 . . 1 . . . . 223 G N . 15567 1 811 . 1 1 82 82 ASP H H 1 9.157 . . 1 . . . . 224 D HN . 15567 1 812 . 1 1 82 82 ASP HA H 1 4.625 . . 1 . . . . 224 D HA . 15567 1 813 . 1 1 82 82 ASP HB2 H 1 3.002 . . 2 . . . . 224 D HB1 . 15567 1 814 . 1 1 82 82 ASP HB3 H 1 2.665 . . 2 . . . . 224 D HB2 . 15567 1 815 . 1 1 82 82 ASP C C 13 173.254 . . 1 . . . . 224 D CO . 15567 1 816 . 1 1 82 82 ASP CA C 13 54.408 . . 1 . . . . 224 D CA . 15567 1 817 . 1 1 82 82 ASP CB C 13 40.829 . . 1 . . . . 224 D CB . 15567 1 818 . 1 1 82 82 ASP N N 15 128.466 . . 1 . . . . 224 D N . 15567 1 819 . 1 1 83 83 GLU H H 1 7.479 . . 1 . . . . 225 E HN . 15567 1 820 . 1 1 83 83 GLU HA H 1 5.454 . . 1 . . . . 225 E HA . 15567 1 821 . 1 1 83 83 GLU HB2 H 1 2.075 . . 2 . . . . 225 E HB1 . 15567 1 822 . 1 1 83 83 GLU HB3 H 1 1.967 . . 2 . . . . 225 E HB2 . 15567 1 823 . 1 1 83 83 GLU HG2 H 1 2.333 . . 2 . . . . 225 E HG1 . 15567 1 824 . 1 1 83 83 GLU HG3 H 1 2.194 . . 2 . . . . 225 E HG2 . 15567 1 825 . 1 1 83 83 GLU C C 13 175.120 . . 1 . . . . 225 E CO . 15567 1 826 . 1 1 83 83 GLU CA C 13 54.723 . . 1 . . . . 225 E CA . 15567 1 827 . 1 1 83 83 GLU CB C 13 33.927 . . 1 . . . . 225 E CB . 15567 1 828 . 1 1 83 83 GLU CG C 13 36.290 . . 1 . . . . 225 E CG . 15567 1 829 . 1 1 83 83 GLU N N 15 118.419 . . 1 . . . . 225 E N . 15567 1 830 . 1 1 84 84 THR H H 1 8.759 . . 1 . . . . 226 T HN . 15567 1 831 . 1 1 84 84 THR HA H 1 4.680 . . 1 . . . . 226 T HA . 15567 1 832 . 1 1 84 84 THR HB H 1 3.801 . . 1 . . . . 226 T HB . 15567 1 833 . 1 1 84 84 THR HG21 H 1 0.470 . . 1 . . . . 226 T HG2* . 15567 1 834 . 1 1 84 84 THR HG22 H 1 0.470 . . 1 . . . . 226 T HG2* . 15567 1 835 . 1 1 84 84 THR HG23 H 1 0.470 . . 1 . . . . 226 T HG2* . 15567 1 836 . 1 1 84 84 THR C C 13 170.497 . . 1 . . . . 226 T CO . 15567 1 837 . 1 1 84 84 THR CA C 13 62.538 . . 1 . . . . 226 T CA . 15567 1 838 . 1 1 84 84 THR CB C 13 70.389 . . 1 . . . . 226 T CB . 15567 1 839 . 1 1 84 84 THR CG2 C 13 18.558 . . 1 . . . . 226 T CG . 15567 1 840 . 1 1 84 84 THR N N 15 116.177 . . 1 . . . . 226 T N . 15567 1 841 . 1 1 85 85 LYS H H 1 7.829 . . 1 . . . . 227 K HN . 15567 1 842 . 1 1 85 85 LYS HA H 1 5.085 . . 1 . . . . 227 K HA . 15567 1 843 . 1 1 85 85 LYS HB2 H 1 1.798 . . 2 . . . . 227 K HB1 . 15567 1 844 . 1 1 85 85 LYS HB3 H 1 1.508 . . 2 . . . . 227 K HB2 . 15567 1 845 . 1 1 85 85 LYS HG2 H 1 1.588 . . 2 . . . . 227 K HG1 . 15567 1 846 . 1 1 85 85 LYS HG3 H 1 1.448 . . 2 . . . . 227 K HG2 . 15567 1 847 . 1 1 85 85 LYS C C 13 174.884 . . 1 . . . . 227 K CO . 15567 1 848 . 1 1 85 85 LYS CA C 13 54.338 . . 1 . . . . 227 K CA . 15567 1 849 . 1 1 85 85 LYS CB C 13 34.154 . . 1 . . . . 227 K CB . 15567 1 850 . 1 1 85 85 LYS CD C 13 29.338 . . 1 . . . . 227 K CD . 15567 1 851 . 1 1 85 85 LYS CE C 13 41.549 . . 1 . . . . 227 K CE . 15567 1 852 . 1 1 85 85 LYS CG C 13 24.329 . . 1 . . . . 227 K CG . 15567 1 853 . 1 1 85 85 LYS N N 15 125.540 . . 1 . . . . 227 K N . 15567 1 854 . 1 1 86 86 LEU H H 1 8.977 . . 1 . . . . 228 L HN . 15567 1 855 . 1 1 86 86 LEU HA H 1 5.049 . . 1 . . . . 228 L HA . 15567 1 856 . 1 1 86 86 LEU HB2 H 1 1.509 . . 2 . . . . 228 L HB1 . 15567 1 857 . 1 1 86 86 LEU HB3 H 1 0.954 . . 2 . . . . 228 L HB2 . 15567 1 858 . 1 1 86 86 LEU HD11 H 1 0.652 . . 2 . . . . 228 L HD1* . 15567 1 859 . 1 1 86 86 LEU HD12 H 1 0.652 . . 2 . . . . 228 L HD1* . 15567 1 860 . 1 1 86 86 LEU HD13 H 1 0.652 . . 2 . . . . 228 L HD1* . 15567 1 861 . 1 1 86 86 LEU HD21 H 1 0.203 . . 2 . . . . 228 L HD2* . 15567 1 862 . 1 1 86 86 LEU HD22 H 1 0.203 . . 2 . . . . 228 L HD2* . 15567 1 863 . 1 1 86 86 LEU HD23 H 1 0.203 . . 2 . . . . 228 L HD2* . 15567 1 864 . 1 1 86 86 LEU C C 13 174.337 . . 1 . . . . 228 L CO . 15567 1 865 . 1 1 86 86 LEU CA C 13 52.201 . . 1 . . . . 228 L CA . 15567 1 866 . 1 1 86 86 LEU CB C 13 44.238 . . 1 . . . . 228 L CB . 15567 1 867 . 1 1 86 86 LEU N N 15 125.294 . . 1 . . . . 228 L N . 15567 1 868 . 1 1 87 87 LEU H H 1 8.619 . . 1 . . . . 229 L HN . 15567 1 869 . 1 1 87 87 LEU HA H 1 5.244 . . 1 . . . . 229 L HA . 15567 1 870 . 1 1 87 87 LEU HB2 H 1 1.679 . . 2 . . . . 229 L HB1 . 15567 1 871 . 1 1 87 87 LEU HD11 H 1 0.692 . . 2 . . . . 229 L HD1* . 15567 1 872 . 1 1 87 87 LEU HD12 H 1 0.692 . . 2 . . . . 229 L HD1* . 15567 1 873 . 1 1 87 87 LEU HD13 H 1 0.692 . . 2 . . . . 229 L HD1* . 15567 1 874 . 1 1 87 87 LEU HG H 1 1.400 . . 1 . . . . 229 L HG . 15567 1 875 . 1 1 87 87 LEU C C 13 175.951 . . 1 . . . . 229 L CO . 15567 1 876 . 1 1 87 87 LEU CA C 13 53.857 . . 1 . . . . 229 L CA . 15567 1 877 . 1 1 87 87 LEU CB C 13 43.711 . . 1 . . . . 229 L CB . 15567 1 878 . 1 1 87 87 LEU N N 15 128.223 . . 1 . . . . 229 L N . 15567 1 879 . 1 1 88 88 VAL H H 1 9.291 . . 1 . . . . 230 V HN . 15567 1 880 . 1 1 88 88 VAL HA H 1 5.627 . . 1 . . . . 230 V HA . 15567 1 881 . 1 1 88 88 VAL HB H 1 1.835 . . 1 . . . . 230 V HB . 15567 1 882 . 1 1 88 88 VAL HG11 H 1 0.773 . . 2 . . . . 230 V HG1* . 15567 1 883 . 1 1 88 88 VAL HG12 H 1 0.773 . . 2 . . . . 230 V HG1* . 15567 1 884 . 1 1 88 88 VAL HG13 H 1 0.773 . . 2 . . . . 230 V HG1* . 15567 1 885 . 1 1 88 88 VAL HG21 H 1 0.552 . . 2 . . . . 230 V HG2* . 15567 1 886 . 1 1 88 88 VAL HG22 H 1 0.552 . . 2 . . . . 230 V HG2* . 15567 1 887 . 1 1 88 88 VAL HG23 H 1 0.552 . . 2 . . . . 230 V HG2* . 15567 1 888 . 1 1 88 88 VAL C C 13 174.077 . . 1 . . . . 230 V CO . 15567 1 889 . 1 1 88 88 VAL CA C 13 58.217 . . 1 . . . . 230 V CA . 15567 1 890 . 1 1 88 88 VAL CB C 13 36.697 . . 1 . . . . 230 V CB . 15567 1 891 . 1 1 88 88 VAL CG1 C 13 21.136 . . 2 . . . . 230 V CG1 . 15567 1 892 . 1 1 88 88 VAL CG2 C 13 17.995 . . 2 . . . . 230 V CG2 . 15567 1 893 . 1 1 88 88 VAL N N 15 120.780 . . 1 . . . . 230 V N . 15567 1 894 . 1 1 89 89 VAL H H 1 8.241 . . 1 . . . . 231 V HN . 15567 1 895 . 1 1 89 89 VAL HA H 1 4.814 . . 1 . . . . 231 V HA . 15567 1 896 . 1 1 89 89 VAL HB H 1 1.979 . . 1 . . . . 231 V HB . 15567 1 897 . 1 1 89 89 VAL HG11 H 1 0.802 . . 2 . . . . 231 V HG1* . 15567 1 898 . 1 1 89 89 VAL HG12 H 1 0.802 . . 2 . . . . 231 V HG1* . 15567 1 899 . 1 1 89 89 VAL HG13 H 1 0.802 . . 2 . . . . 231 V HG1* . 15567 1 900 . 1 1 89 89 VAL HG21 H 1 0.763 . . 2 . . . . 231 V HG2* . 15567 1 901 . 1 1 89 89 VAL HG22 H 1 0.763 . . 2 . . . . 231 V HG2* . 15567 1 902 . 1 1 89 89 VAL HG23 H 1 0.763 . . 2 . . . . 231 V HG2* . 15567 1 903 . 1 1 89 89 VAL C C 13 174.661 . . 1 . . . . 231 V CO . 15567 1 904 . 1 1 89 89 VAL CA C 13 58.524 . . 1 . . . . 231 V CA . 15567 1 905 . 1 1 89 89 VAL CB C 13 35.588 . . 1 . . . . 231 V CB . 15567 1 906 . 1 1 89 89 VAL CG1 C 13 21.310 . . 2 . . . . 231 V CG1 . 15567 1 907 . 1 1 89 89 VAL CG2 C 13 18.902 . . 2 . . . . 231 V CG2 . 15567 1 908 . 1 1 89 89 VAL N N 15 110.935 . . 1 . . . . 231 V N . 15567 1 909 . 1 1 90 90 ASP H H 1 7.841 . . 1 . . . . 232 D HN . 15567 1 910 . 1 1 90 90 ASP HA H 1 4.883 . . 1 . . . . 232 D HA . 15567 1 911 . 1 1 90 90 ASP HB2 H 1 3.119 . . 2 . . . . 232 D HB1 . 15567 1 912 . 1 1 90 90 ASP HB3 H 1 2.660 . . 2 . . . . 232 D HB2 . 15567 1 913 . 1 1 90 90 ASP C C 13 175.406 . . 1 . . . . 232 D CO . 15567 1 914 . 1 1 90 90 ASP CA C 13 52.420 . . 1 . . . . 232 D CA . 15567 1 915 . 1 1 90 90 ASP CB C 13 41.621 . . 1 . . . . 232 D CB . 15567 1 916 . 1 1 90 90 ASP N N 15 122.442 . . 1 . . . . 232 D N . 15567 1 917 . 1 1 91 91 ARG H H 1 8.780 . . 1 . . . . 233 R HN . 15567 1 918 . 1 1 91 91 ARG HA H 1 4.228 . . 1 . . . . 233 R HA . 15567 1 919 . 1 1 91 91 ARG HB2 H 1 1.819 . . 2 . . . . 233 R HB1 . 15567 1 920 . 1 1 91 91 ARG HG2 H 1 1.705 . . 2 . . . . 233 R HG1 . 15567 1 921 . 1 1 91 91 ARG C C 13 177.865 . . 1 . . . . 233 R CO . 15567 1 922 . 1 1 91 91 ARG CA C 13 58.821 . . 1 . . . . 233 R CA . 15567 1 923 . 1 1 91 91 ARG CB C 13 29.977 . . 1 . . . . 233 R CB . 15567 1 924 . 1 1 91 91 ARG CG C 13 26.839 . . 1 . . . . 233 R CG . 15567 1 925 . 1 1 91 91 ARG N N 15 120.292 . . 1 . . . . 233 R N . 15567 1 926 . 1 1 92 92 GLU H H 1 8.663 . . 1 . . . . 234 E HN . 15567 1 927 . 1 1 92 92 GLU HA H 1 4.071 . . 1 . . . . 234 E HA . 15567 1 928 . 1 1 92 92 GLU HB2 H 1 2.044 . . 2 . . . . 234 E HB1 . 15567 1 929 . 1 1 92 92 GLU HB3 H 1 1.986 . . 2 . . . . 234 E HB2 . 15567 1 930 . 1 1 92 92 GLU HG2 H 1 2.571 . . 2 . . . . 234 E HG1 . 15567 1 931 . 1 1 92 92 GLU HG3 H 1 2.302 . . 2 . . . . 234 E HG2 . 15567 1 932 . 1 1 92 92 GLU C C 13 178.395 . . 1 . . . . 234 E CO . 15567 1 933 . 1 1 92 92 GLU CA C 13 59.115 . . 1 . . . . 234 E CA . 15567 1 934 . 1 1 92 92 GLU CB C 13 29.131 . . 1 . . . . 234 E CB . 15567 1 935 . 1 1 92 92 GLU CG C 13 37.095 . . 1 . . . . 234 E CG . 15567 1 936 . 1 1 92 92 GLU N N 15 119.448 . . 1 . . . . 234 E N . 15567 1 937 . 1 1 93 93 THR H H 1 8.255 . . 1 . . . . 235 T HN . 15567 1 938 . 1 1 93 93 THR HA H 1 3.975 . . 1 . . . . 235 T HA . 15567 1 939 . 1 1 93 93 THR HB H 1 4.123 . . 1 . . . . 235 T HB . 15567 1 940 . 1 1 93 93 THR HG21 H 1 1.062 . . 1 . . . . 235 T HG2* . 15567 1 941 . 1 1 93 93 THR HG22 H 1 1.062 . . 1 . . . . 235 T HG2* . 15567 1 942 . 1 1 93 93 THR HG23 H 1 1.062 . . 1 . . . . 235 T HG2* . 15567 1 943 . 1 1 93 93 THR C C 13 175.146 . . 1 . . . . 235 T CO . 15567 1 944 . 1 1 93 93 THR CA C 13 65.516 . . 1 . . . . 235 T CA . 15567 1 945 . 1 1 93 93 THR CB C 13 68.363 . . 1 . . . . 235 T CB . 15567 1 946 . 1 1 93 93 THR CG2 C 13 21.597 . . 1 . . . . 235 T CG2 . 15567 1 947 . 1 1 93 93 THR N N 15 117.260 . . 1 . . . . 235 T N . 15567 1 948 . 1 1 94 94 ASP H H 1 8.302 . . 1 . . . . 236 D HN . 15567 1 949 . 1 1 94 94 ASP HA H 1 4.557 . . 1 . . . . 236 D HA . 15567 1 950 . 1 1 94 94 ASP HB2 H 1 3.156 . . 2 . . . . 236 D HB1 . 15567 1 951 . 1 1 94 94 ASP HB3 H 1 2.815 . . 2 . . . . 236 D HB2 . 15567 1 952 . 1 1 94 94 ASP C C 13 177.739 . . 1 . . . . 236 D CO . 15567 1 953 . 1 1 94 94 ASP CA C 13 55.460 . . 1 . . . . 236 D CA . 15567 1 954 . 1 1 94 94 ASP CB C 13 41.093 . . 1 . . . . 236 D CB . 15567 1 955 . 1 1 94 94 ASP N N 15 122.075 . . 1 . . . . 236 D N . 15567 1 956 . 1 1 95 95 GLU H H 1 8.084 . . 1 . . . . 237 E HN . 15567 1 957 . 1 1 95 95 GLU HA H 1 4.032 . . 1 . . . . 237 E HA . 15567 1 958 . 1 1 95 95 GLU HB2 H 1 1.926 . . 2 . . . . 237 E HB1 . 15567 1 959 . 1 1 95 95 GLU HG2 H 1 2.275 . . 2 . . . . 237 E HG1 . 15567 1 960 . 1 1 95 95 GLU HG3 H 1 2.116 . . 2 . . . . 237 E HG2 . 15567 1 961 . 1 1 95 95 GLU C C 13 176.899 . . 1 . . . . 237 E CO . 15567 1 962 . 1 1 95 95 GLU CA C 13 57.612 . . 1 . . . . 237 E CA . 15567 1 963 . 1 1 95 95 GLU CB C 13 29.393 . . 1 . . . . 237 E CB . 15567 1 964 . 1 1 95 95 GLU CG C 13 35.942 . . 1 . . . . 237 E CG . 15567 1 965 . 1 1 95 95 GLU N N 15 117.733 . . 1 . . . . 237 E N . 15567 1 966 . 1 1 96 96 PHE H H 1 7.927 . . 1 . . . . 238 F HN . 15567 1 967 . 1 1 96 96 PHE HA H 1 4.363 . . 1 . . . . 238 F HA . 15567 1 968 . 1 1 96 96 PHE HB2 H 1 3.062 . . 2 . . . . 238 F HB1 . 15567 1 969 . 1 1 96 96 PHE HB3 H 1 2.972 . . 2 . . . . 238 F HB2 . 15567 1 970 . 1 1 96 96 PHE HD1 H 1 6.865 . . 3 . . . . 238 F HD# . 15567 1 971 . 1 1 96 96 PHE HD2 H 1 6.865 . . 3 . . . . 238 F HD# . 15567 1 972 . 1 1 96 96 PHE HE1 H 1 6.828 . . 3 . . . . 238 F HE# . 15567 1 973 . 1 1 96 96 PHE HE2 H 1 6.828 . . 3 . . . . 238 F HE# . 15567 1 974 . 1 1 96 96 PHE C C 13 175.655 . . 1 . . . . 238 F CO . 15567 1 975 . 1 1 96 96 PHE CA C 13 59.139 . . 1 . . . . 238 F CA . 15567 1 976 . 1 1 96 96 PHE CB C 13 39.723 . . 1 . . . . 238 F CB . 15567 1 977 . 1 1 96 96 PHE N N 15 119.312 . . 1 . . . . 238 F N . 15567 1 978 . 1 1 97 97 PHE H H 1 7.896 . . 1 . . . . 239 F HN . 15567 1 979 . 1 1 97 97 PHE HA H 1 4.506 . . 1 . . . . 239 F HA . 15567 1 980 . 1 1 97 97 PHE HB2 H 1 3.287 . . 2 . . . . 239 F HB1 . 15567 1 981 . 1 1 97 97 PHE HB3 H 1 2.981 . . 2 . . . . 239 F HB2 . 15567 1 982 . 1 1 97 97 PHE HD1 H 1 7.383 . . 3 . . . . 239 F HD# . 15567 1 983 . 1 1 97 97 PHE HD2 H 1 7.383 . . 3 . . . . 239 F HD# . 15567 1 984 . 1 1 97 97 PHE HE1 H 1 7.336 . . 3 . . . . 239 F HE# . 15567 1 985 . 1 1 97 97 PHE HE2 H 1 7.336 . . 3 . . . . 239 F HE# . 15567 1 986 . 1 1 97 97 PHE C C 13 174.173 . . 1 . . . . 239 F CO . 15567 1 987 . 1 1 97 97 PHE CA C 13 58.034 . . 1 . . . . 239 F CA . 15567 1 988 . 1 1 97 97 PHE CB C 13 39.447 . . 1 . . . . 239 F CB . 15567 1 989 . 1 1 97 97 PHE N N 15 119.260 . . 1 . . . . 239 F N . 15567 1 990 . 1 1 98 98 LYS H H 1 7.455 . . 1 . . . . 240 K HN . 15567 1 991 . 1 1 98 98 LYS HA H 1 4.044 . . 1 . . . . 240 K HA . 15567 1 992 . 1 1 98 98 LYS HB2 H 1 1.748 . . 2 . . . . 240 K HB1 . 15567 1 993 . 1 1 98 98 LYS HB3 H 1 1.719 . . 2 . . . . 240 K HB2 . 15567 1 994 . 1 1 98 98 LYS HE2 H 1 2.949 . . 2 . . . . 240 K HE1 . 15567 1 995 . 1 1 98 98 LYS HG2 H 1 1.368 . . 2 . . . . 240 K HG1 . 15567 1 996 . 1 1 98 98 LYS CA C 13 57.669 . . 1 . . . . 240 K CA . 15567 1 997 . 1 1 98 98 LYS CB C 13 33.154 . . 1 . . . . 240 K CB . 15567 1 998 . 1 1 98 98 LYS CG C 13 24.661 . . 1 . . . . 240 K CG . 15567 1 999 . 1 1 98 98 LYS N N 15 127.538 . . 1 . . . . 240 K N . 15567 1 stop_ save_