data_34691 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34691 _Entry.Title ; NMR structure of Npl3 RRM1 bound to the AUCCAA RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-11-26 _Entry.Accession_date 2021-11-26 _Entry.Last_release_date 2021-12-21 _Entry.Original_release_date 2021-12-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 A. Clery A. . . . 34691 2 F. Allain F. H.-T. . . 34691 3 A. Moursy A. . . . 34691 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'RNA BINDING PROTEIN' . 34691 RRM . 34691 'U2 snRNA' . 34691 'protein-RNA complex' . 34691 splicing . 34691 split-iCRAC . 34691 yeast . 34691 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34691 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 266 34691 '15N chemical shifts' 80 34691 '1H chemical shifts' 624 34691 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 2 . . 2023-12-15 2021-11-26 update BMRB 'update entry citation' 34691 1 . . 2022-10-21 2021-11-26 original author 'original release' 34691 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7QDD 'BMRB Entry Tracking System' 34691 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34691 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37935663 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; RNA recognition by Npl3p reveals U2 snRNA-binding compatible with a chaperone role during splicing ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD 0353 _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 7166 _Citation.Page_last 7166 _Citation.Year 2023 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ahmed Moursy A. . . . 34691 1 2 Antoine Clery A. . . . 34691 1 3 Stefan Gerhardy S. . . . 34691 1 4 Katharina Betz K. M. . . 34691 1 5 Sanjana Rao S. . . . 34691 1 6 Jaroslaw Mazur J. . . . 34691 1 7 Sebastien Campagne S. . . . 34691 1 8 Irene Beusch I. . . . 34691 1 9 Malgorzata Duszczyk M. M. . . 34691 1 10 Mark Robinson M. D. . . 34691 1 11 'Vikram Govind' Panse V. G. . . 34691 1 12 'Frederic H-T' Allain F. H. . . 34691 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34691 _Assembly.ID 1 _Assembly.Name 'Nucleolar protein 3/RNA Complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34691 1 2 unit_2 2 $entity_2 B B yes . . . . . . 34691 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34691 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AUCCAA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 6 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1859.189 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'synthetic RNA from horizon' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 108 A . 34691 1 2 109 U . 34691 1 3 110 C . 34691 1 4 111 C . 34691 1 5 112 A . 34691 1 6 113 A . 34691 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 . A 1 1 34691 1 . U 2 2 34691 1 . C 3 3 34691 1 . C 4 4 34691 1 . A 5 5 34691 1 . A 6 6 34691 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34691 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHRQEGELSNTRLFVRPFP LDVQESELNEIFGPFGPMKE VKILNGFAFVEFEEAESAAK AIEEVHGKSFANQPLEVVYS KLPAKRYR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10121.476 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'recombinant protein' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Mitochondrial targeting suppressor 1 protein' common 34691 2 'Nuclear polyadenylated RNA-binding protein 1' common 34691 2 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 1 114 MET . 34691 2 2 115 HIS . 34691 2 3 116 HIS . 34691 2 4 117 ARG . 34691 2 5 118 GLN . 34691 2 6 119 GLU . 34691 2 7 120 GLY . 34691 2 8 121 GLU . 34691 2 9 122 LEU . 34691 2 10 123 SER . 34691 2 11 124 ASN . 34691 2 12 125 THR . 34691 2 13 126 ARG . 34691 2 14 127 LEU . 34691 2 15 128 PHE . 34691 2 16 129 VAL . 34691 2 17 130 ARG . 34691 2 18 131 PRO . 34691 2 19 132 PHE . 34691 2 20 133 PRO . 34691 2 21 134 LEU . 34691 2 22 135 ASP . 34691 2 23 136 VAL . 34691 2 24 137 GLN . 34691 2 25 138 GLU . 34691 2 26 139 SER . 34691 2 27 140 GLU . 34691 2 28 141 LEU . 34691 2 29 142 ASN . 34691 2 30 143 GLU . 34691 2 31 144 ILE . 34691 2 32 145 PHE . 34691 2 33 146 GLY . 34691 2 34 147 PRO . 34691 2 35 148 PHE . 34691 2 36 149 GLY . 34691 2 37 150 PRO . 34691 2 38 151 MET . 34691 2 39 152 LYS . 34691 2 40 153 GLU . 34691 2 41 154 VAL . 34691 2 42 155 LYS . 34691 2 43 156 ILE . 34691 2 44 157 LEU . 34691 2 45 158 ASN . 34691 2 46 159 GLY . 34691 2 47 160 PHE . 34691 2 48 161 ALA . 34691 2 49 162 PHE . 34691 2 50 163 VAL . 34691 2 51 164 GLU . 34691 2 52 165 PHE . 34691 2 53 166 GLU . 34691 2 54 167 GLU . 34691 2 55 168 ALA . 34691 2 56 169 GLU . 34691 2 57 170 SER . 34691 2 58 171 ALA . 34691 2 59 172 ALA . 34691 2 60 173 LYS . 34691 2 61 174 ALA . 34691 2 62 175 ILE . 34691 2 63 176 GLU . 34691 2 64 177 GLU . 34691 2 65 178 VAL . 34691 2 66 179 HIS . 34691 2 67 180 GLY . 34691 2 68 181 LYS . 34691 2 69 182 SER . 34691 2 70 183 PHE . 34691 2 71 184 ALA . 34691 2 72 185 ASN . 34691 2 73 186 GLN . 34691 2 74 187 PRO . 34691 2 75 188 LEU . 34691 2 76 189 GLU . 34691 2 77 190 VAL . 34691 2 78 191 VAL . 34691 2 79 192 TYR . 34691 2 80 193 SER . 34691 2 81 194 LYS . 34691 2 82 195 LEU . 34691 2 83 196 PRO . 34691 2 84 197 ALA . 34691 2 85 198 LYS . 34691 2 86 199 ARG . 34691 2 87 200 TYR . 34691 2 88 201 ARG . 34691 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34691 2 . HIS 2 2 34691 2 . HIS 3 3 34691 2 . ARG 4 4 34691 2 . GLN 5 5 34691 2 . GLU 6 6 34691 2 . GLY 7 7 34691 2 . GLU 8 8 34691 2 . LEU 9 9 34691 2 . SER 10 10 34691 2 . ASN 11 11 34691 2 . THR 12 12 34691 2 . ARG 13 13 34691 2 . LEU 14 14 34691 2 . PHE 15 15 34691 2 . VAL 16 16 34691 2 . ARG 17 17 34691 2 . PRO 18 18 34691 2 . PHE 19 19 34691 2 . PRO 20 20 34691 2 . LEU 21 21 34691 2 . ASP 22 22 34691 2 . VAL 23 23 34691 2 . GLN 24 24 34691 2 . GLU 25 25 34691 2 . SER 26 26 34691 2 . GLU 27 27 34691 2 . LEU 28 28 34691 2 . ASN 29 29 34691 2 . GLU 30 30 34691 2 . ILE 31 31 34691 2 . PHE 32 32 34691 2 . GLY 33 33 34691 2 . PRO 34 34 34691 2 . PHE 35 35 34691 2 . GLY 36 36 34691 2 . PRO 37 37 34691 2 . MET 38 38 34691 2 . LYS 39 39 34691 2 . GLU 40 40 34691 2 . VAL 41 41 34691 2 . LYS 42 42 34691 2 . ILE 43 43 34691 2 . LEU 44 44 34691 2 . ASN 45 45 34691 2 . GLY 46 46 34691 2 . PHE 47 47 34691 2 . ALA 48 48 34691 2 . PHE 49 49 34691 2 . VAL 50 50 34691 2 . GLU 51 51 34691 2 . PHE 52 52 34691 2 . GLU 53 53 34691 2 . GLU 54 54 34691 2 . ALA 55 55 34691 2 . GLU 56 56 34691 2 . SER 57 57 34691 2 . ALA 58 58 34691 2 . ALA 59 59 34691 2 . LYS 60 60 34691 2 . ALA 61 61 34691 2 . ILE 62 62 34691 2 . GLU 63 63 34691 2 . GLU 64 64 34691 2 . VAL 65 65 34691 2 . HIS 66 66 34691 2 . GLY 67 67 34691 2 . LYS 68 68 34691 2 . SER 69 69 34691 2 . PHE 70 70 34691 2 . ALA 71 71 34691 2 . ASN 72 72 34691 2 . GLN 73 73 34691 2 . PRO 74 74 34691 2 . LEU 75 75 34691 2 . GLU 76 76 34691 2 . VAL 77 77 34691 2 . VAL 78 78 34691 2 . TYR 79 79 34691 2 . SER 80 80 34691 2 . LYS 81 81 34691 2 . LEU 82 82 34691 2 . PRO 83 83 34691 2 . ALA 84 84 34691 2 . LYS 85 85 34691 2 . ARG 86 86 34691 2 . TYR 87 87 34691 2 . ARG 88 88 34691 2 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 34691 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 2 $entity_2 . 559292 organism . 'Saccharomyces cerevisiae (strain ATCC 204508 / S288c)' "Baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' . . . . . . . . . . 'NPL3, MTR13, MTS1, NAB1, NOP3, YDR432W, D9461.19' . 34691 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 34691 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 2 $entity_2 . 'recombinant technology' 'unidentified plasmid' . . 45202 unidentified plasmid . . . . . . . . . . 34691 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34691 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.9 mM [U-15N] Npl3 RRM1, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Npl3 RRM1' [U-15N] . . 2 $entity_2 . . 0.9 . . mM . . . . 34691 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34691 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.9 mM [U-100% 13C; U-100% 15N] Npl3 RRM1, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Npl3 RRM1' '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 0.9 . . mM . . . . 34691 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34691 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34691 1 pH 6.9 . pH 34691 1 pressure 0 . Pa 34691 1 temperature 313 . K 34691 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34691 _Software.ID 1 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34691 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34691 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34691 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34691 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34691 2 'structure calculation' . 34691 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34691 _Software.ID 3 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34691 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34691 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34691 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34691 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34691 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _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 34691 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 900 . . . 34691 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 700 . . . 34691 1 3 NMR_spectrometer_3 Bruker 'AVANCE III HD' . 600 . . . 34691 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 34691 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34691 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34691 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34691 1 4 '2D NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34691 1 5 '2D NOESY F1fF2f' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34691 1 6 '2D NOESY F2f' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34691 1 7 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34691 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34691 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 34691 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 34691 1 N 15 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 34691 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34691 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 34691 1 2 '3D 1H-13C NOESY aliphatic' . . . 34691 1 3 '3D 1H-13C NOESY aromatic' . . . 34691 1 4 '2D NOESY' . . . 34691 1 5 '2D NOESY F1fF2f' . . . 34691 1 6 '2D NOESY F2f' . . . 34691 1 7 '3D HNCACB' . . . 34691 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 A H1' H 1 6.136 0.001 . . . . . . A 108 A H1' . 34691 1 2 . 1 . 1 1 1 A H2 H 1 8.222 0.002 . . . . . . A 108 A H2 . 34691 1 3 . 1 . 1 1 1 A H2' H 1 4.973 0.002 . . . . . . A 108 A H2' . 34691 1 4 . 1 . 1 1 1 A H3' H 1 4.861 0.001 . . . . . . A 108 A H3' . 34691 1 5 . 1 . 1 1 1 A H4' H 1 4.537 0.001 . . . . . . A 108 A H4' . 34691 1 6 . 1 . 1 1 1 A H8 H 1 8.373 0.002 . . . . . . A 108 A H8 . 34691 1 7 . 1 . 1 1 1 A H5' H 1 3.933 0.003 . . . . . . A 108 A Q5' . 34691 1 8 . 1 . 1 2 2 U H1' H 1 6.015 0.003 . . . . . . A 109 U H1' . 34691 1 9 . 1 . 1 2 2 U H2' H 1 4.415 0.002 . . . . . . A 109 U H2' . 34691 1 10 . 1 . 1 2 2 U H3' H 1 4.733 0.004 . . . . . . A 109 U H3' . 34691 1 11 . 1 . 1 2 2 U H4' H 1 3.994 0.001 . . . . . . A 109 U H4' . 34691 1 12 . 1 . 1 2 2 U H5 H 1 5.902 0.002 . . . . . . A 109 U H5 . 34691 1 13 . 1 . 1 2 2 U H5' H 1 4.228 0.002 . . . . . . A 109 U H5' . 34691 1 14 . 1 . 1 2 2 U H5'' H 1 4.288 0.006 . . . . . . A 109 U H5'' . 34691 1 15 . 1 . 1 2 2 U H6 H 1 7.899 0.002 . . . . . . A 109 U H6 . 34691 1 16 . 1 . 1 3 3 C H1' H 1 6.310 0.007 . . . . . . A 110 C H1' . 34691 1 17 . 1 . 1 3 3 C H2' H 1 4.233 0.010 . . . . . . A 110 C H2' . 34691 1 18 . 1 . 1 3 3 C H3' H 1 4.789 0.009 . . . . . . A 110 C H3' . 34691 1 19 . 1 . 1 3 3 C H4' H 1 4.313 0.005 . . . . . . A 110 C H4' . 34691 1 20 . 1 . 1 3 3 C H5 H 1 5.172 0.007 . . . . . . A 110 C H5 . 34691 1 21 . 1 . 1 3 3 C H6 H 1 7.093 0.006 . . . . . . A 110 C H6 . 34691 1 22 . 1 . 1 3 3 C H5' H 1 4.006 0.003 . . . . . . A 110 C Q5' . 34691 1 23 . 1 . 1 4 4 C H1' H 1 5.483 0.002 . . . . . . A 111 C H1' . 34691 1 24 . 1 . 1 4 4 C H2' H 1 4.010 0.002 . . . . . . A 111 C H2' . 34691 1 25 . 1 . 1 4 4 C H3' H 1 4.734 0.003 . . . . . . A 111 C H3' . 34691 1 26 . 1 . 1 4 4 C H4' H 1 4.416 0.005 . . . . . . A 111 C H4' . 34691 1 27 . 1 . 1 4 4 C H5 H 1 6.320 0.008 . . . . . . A 111 C H5 . 34691 1 28 . 1 . 1 4 4 C H5' H 1 4.229 0.005 . . . . . . A 111 C H5' . 34691 1 29 . 1 . 1 4 4 C H5'' H 1 4.315 0.004 . . . . . . A 111 C H5'' . 34691 1 30 . 1 . 1 4 4 C H6 H 1 7.958 0.004 . . . . . . A 111 C H6 . 34691 1 31 . 1 . 1 5 5 A H1' H 1 6.029 0.005 . . . . . . A 112 A H1' . 34691 1 32 . 1 . 1 5 5 A H2 H 1 8.075 0.001 . . . . . . A 112 A H2 . 34691 1 33 . 1 . 1 5 5 A H2' H 1 4.566 0.001 . . . . . . A 112 A H2' . 34691 1 34 . 1 . 1 5 5 A H3' H 1 4.852 0.001 . . . . . . A 112 A H3' . 34691 1 35 . 1 . 1 5 5 A H4' H 1 4.482 0.001 . . . . . . A 112 A H4' . 34691 1 36 . 1 . 1 5 5 A H5' H 1 4.162 0.000 . . . . . . A 112 A H5' . 34691 1 37 . 1 . 1 5 5 A H5'' H 1 4.340 0.002 . . . . . . A 112 A H5'' . 34691 1 38 . 1 . 1 5 5 A H8 H 1 8.413 0.001 . . . . . . A 112 A H8 . 34691 1 39 . 1 . 1 6 6 A H1' H 1 6.037 0.002 . . . . . . A 113 A H1' . 34691 1 40 . 1 . 1 6 6 A H2 H 1 8.165 0.002 . . . . . . A 113 A H2 . 34691 1 41 . 1 . 1 6 6 A H2' H 1 4.627 0.001 . . . . . . A 113 A H2' . 34691 1 42 . 1 . 1 6 6 A H3' H 1 4.487 0.000 . . . . . . A 113 A H3' . 34691 1 43 . 1 . 1 6 6 A H4' H 1 4.359 0.001 . . . . . . A 113 A H4' . 34691 1 44 . 1 . 1 6 6 A H5' H 1 4.165 0.000 . . . . . . A 113 A H5' . 34691 1 45 . 1 . 1 6 6 A H5'' H 1 4.258 0.003 . . . . . . A 113 A H5'' . 34691 1 46 . 1 . 1 6 6 A H8 H 1 8.342 0.002 . . . . . . A 113 A H8 . 34691 1 47 . 2 . 2 6 6 GLU H H 1 8.413 0.000 . . . . . . B 119 GLU H . 34691 1 48 . 2 . 2 6 6 GLU HA H 1 4.297 0.014 . . . . . . B 119 GLU HA . 34691 1 49 . 2 . 2 6 6 GLU HB2 H 1 1.918 0.008 . . . . . . B 119 GLU HB2 . 34691 1 50 . 2 . 2 6 6 GLU HB3 H 1 2.034 0.003 . . . . . . B 119 GLU HB3 . 34691 1 51 . 2 . 2 6 6 GLU HG2 H 1 2.235 0.004 . . . . . . B 119 GLU HG2 . 34691 1 52 . 2 . 2 6 6 GLU HG3 H 1 2.235 0.004 . . . . . . B 119 GLU HG3 . 34691 1 53 . 2 . 2 6 6 GLU CA C 13 56.865 0.027 . . . . . . B 119 GLU CA . 34691 1 54 . 2 . 2 6 6 GLU CB C 13 30.857 0.007 . . . . . . B 119 GLU CB . 34691 1 55 . 2 . 2 6 6 GLU CG C 13 36.468 0.019 . . . . . . B 119 GLU CG . 34691 1 56 . 2 . 2 6 6 GLU N N 15 122.532 0.010 . . . . . . B 119 GLU N . 34691 1 57 . 2 . 2 7 7 GLY H H 1 8.286 0.002 . . . . . . B 120 GLY H . 34691 1 58 . 2 . 2 7 7 GLY HA2 H 1 3.909 0.005 . . . . . . B 120 GLY HA2 . 34691 1 59 . 2 . 2 7 7 GLY HA3 H 1 3.985 0.003 . . . . . . B 120 GLY HA3 . 34691 1 60 . 2 . 2 7 7 GLY CA C 13 45.240 0.033 . . . . . . B 120 GLY CA . 34691 1 61 . 2 . 2 7 7 GLY N N 15 109.766 0.000 . . . . . . B 120 GLY N . 34691 1 62 . 2 . 2 8 8 GLU H H 1 8.163 0.001 . . . . . . B 121 GLU H . 34691 1 63 . 2 . 2 8 8 GLU HA H 1 4.324 0.009 . . . . . . B 121 GLU HA . 34691 1 64 . 2 . 2 8 8 GLU HB2 H 1 1.919 0.004 . . . . . . B 121 GLU HB2 . 34691 1 65 . 2 . 2 8 8 GLU HB3 H 1 2.032 0.005 . . . . . . B 121 GLU HB3 . 34691 1 66 . 2 . 2 8 8 GLU HG2 H 1 2.222 0.008 . . . . . . B 121 GLU HG2 . 34691 1 67 . 2 . 2 8 8 GLU HG3 H 1 2.222 0.008 . . . . . . B 121 GLU HG3 . 34691 1 68 . 2 . 2 8 8 GLU CA C 13 56.604 0.021 . . . . . . B 121 GLU CA . 34691 1 69 . 2 . 2 8 8 GLU CB C 13 31.034 0.036 . . . . . . B 121 GLU CB . 34691 1 70 . 2 . 2 8 8 GLU CG C 13 36.449 0.000 . . . . . . B 121 GLU CG . 34691 1 71 . 2 . 2 8 8 GLU N N 15 120.076 0.004 . . . . . . B 121 GLU N . 34691 1 72 . 2 . 2 9 9 LEU H H 1 8.115 0.005 . . . . . . B 122 LEU H . 34691 1 73 . 2 . 2 9 9 LEU HA H 1 4.813 0.007 . . . . . . B 122 LEU HA . 34691 1 74 . 2 . 2 9 9 LEU HB2 H 1 1.512 0.007 . . . . . . B 122 LEU HB2 . 34691 1 75 . 2 . 2 9 9 LEU HB3 H 1 1.512 0.007 . . . . . . B 122 LEU HB3 . 34691 1 76 . 2 . 2 9 9 LEU HG H 1 1.608 0.002 . . . . . . B 122 LEU HG . 34691 1 77 . 2 . 2 9 9 LEU HD11 H 1 0.770 0.006 . . . . . . B 122 LEU HD11 . 34691 1 78 . 2 . 2 9 9 LEU HD12 H 1 0.770 0.006 . . . . . . B 122 LEU HD12 . 34691 1 79 . 2 . 2 9 9 LEU HD13 H 1 0.770 0.006 . . . . . . B 122 LEU HD13 . 34691 1 80 . 2 . 2 9 9 LEU HD21 H 1 0.919 0.003 . . . . . . B 122 LEU HD21 . 34691 1 81 . 2 . 2 9 9 LEU HD22 H 1 0.919 0.003 . . . . . . B 122 LEU HD22 . 34691 1 82 . 2 . 2 9 9 LEU HD23 H 1 0.919 0.003 . . . . . . B 122 LEU HD23 . 34691 1 83 . 2 . 2 9 9 LEU CA C 13 54.081 0.024 . . . . . . B 122 LEU CA . 34691 1 84 . 2 . 2 9 9 LEU CB C 13 43.822 0.006 . . . . . . B 122 LEU CB . 34691 1 85 . 2 . 2 9 9 LEU CG C 13 26.998 0.006 . . . . . . B 122 LEU CG . 34691 1 86 . 2 . 2 9 9 LEU CD1 C 13 23.364 0.005 . . . . . . B 122 LEU CD1 . 34691 1 87 . 2 . 2 9 9 LEU CD2 C 13 25.764 0.015 . . . . . . B 122 LEU CD2 . 34691 1 88 . 2 . 2 9 9 LEU N N 15 121.843 0.002 . . . . . . B 122 LEU N . 34691 1 89 . 2 . 2 10 10 SER H H 1 8.717 0.016 . . . . . . B 123 SER H . 34691 1 90 . 2 . 2 10 10 SER HA H 1 4.286 0.005 . . . . . . B 123 SER HA . 34691 1 91 . 2 . 2 10 10 SER HB2 H 1 3.918 0.003 . . . . . . B 123 SER HB2 . 34691 1 92 . 2 . 2 10 10 SER HB3 H 1 4.037 0.005 . . . . . . B 123 SER HB3 . 34691 1 93 . 2 . 2 10 10 SER CA C 13 57.937 0.011 . . . . . . B 123 SER CA . 34691 1 94 . 2 . 2 10 10 SER CB C 13 63.970 0.013 . . . . . . B 123 SER CB . 34691 1 95 . 2 . 2 10 10 SER N N 15 115.347 0.003 . . . . . . B 123 SER N . 34691 1 96 . 2 . 2 11 11 ASN H H 1 8.214 0.006 . . . . . . B 124 ASN H . 34691 1 97 . 2 . 2 11 11 ASN HA H 1 4.650 0.004 . . . . . . B 124 ASN HA . 34691 1 98 . 2 . 2 11 11 ASN HB2 H 1 2.681 0.003 . . . . . . B 124 ASN HB2 . 34691 1 99 . 2 . 2 11 11 ASN HB3 H 1 2.894 0.002 . . . . . . B 124 ASN HB3 . 34691 1 100 . 2 . 2 11 11 ASN HD21 H 1 6.731 0.004 . . . . . . B 124 ASN HD21 . 34691 1 101 . 2 . 2 11 11 ASN HD22 H 1 7.351 0.003 . . . . . . B 124 ASN HD22 . 34691 1 102 . 2 . 2 11 11 ASN CB C 13 39.272 0.029 . . . . . . B 124 ASN CB . 34691 1 103 . 2 . 2 11 11 ASN N N 15 119.236 0.005 . . . . . . B 124 ASN N . 34691 1 104 . 2 . 2 11 11 ASN ND2 N 15 110.465 0.010 . . . . . . B 124 ASN ND2 . 34691 1 105 . 2 . 2 12 12 THR H H 1 8.272 0.005 . . . . . . B 125 THR H . 34691 1 106 . 2 . 2 12 12 THR HA H 1 4.551 0.005 . . . . . . B 125 THR HA . 34691 1 107 . 2 . 2 12 12 THR HB H 1 4.893 0.004 . . . . . . B 125 THR HB . 34691 1 108 . 2 . 2 12 12 THR HG21 H 1 0.993 0.004 . . . . . . B 125 THR HG21 . 34691 1 109 . 2 . 2 12 12 THR HG22 H 1 0.993 0.004 . . . . . . B 125 THR HG22 . 34691 1 110 . 2 . 2 12 12 THR HG23 H 1 0.993 0.004 . . . . . . B 125 THR HG23 . 34691 1 111 . 2 . 2 12 12 THR CA C 13 62.251 0.001 . . . . . . B 125 THR CA . 34691 1 112 . 2 . 2 12 12 THR CB C 13 70.505 0.005 . . . . . . B 125 THR CB . 34691 1 113 . 2 . 2 12 12 THR CG2 C 13 22.661 0.011 . . . . . . B 125 THR CG2 . 34691 1 114 . 2 . 2 12 12 THR N N 15 107.787 0.003 . . . . . . B 125 THR N . 34691 1 115 . 2 . 2 13 13 ARG H H 1 8.571 0.010 . . . . . . B 126 ARG H . 34691 1 116 . 2 . 2 13 13 ARG HA H 1 5.067 0.004 . . . . . . B 126 ARG HA . 34691 1 117 . 2 . 2 13 13 ARG HB2 H 1 1.461 0.003 . . . . . . B 126 ARG HB2 . 34691 1 118 . 2 . 2 13 13 ARG HB3 H 1 1.987 0.007 . . . . . . B 126 ARG HB3 . 34691 1 119 . 2 . 2 13 13 ARG HG2 H 1 1.453 0.017 . . . . . . B 126 ARG HG2 . 34691 1 120 . 2 . 2 13 13 ARG HG3 H 1 1.614 0.006 . . . . . . B 126 ARG HG3 . 34691 1 121 . 2 . 2 13 13 ARG HD2 H 1 3.156 0.003 . . . . . . B 126 ARG HD2 . 34691 1 122 . 2 . 2 13 13 ARG HD3 H 1 3.156 0.003 . . . . . . B 126 ARG HD3 . 34691 1 123 . 2 . 2 13 13 ARG CA C 13 55.730 0.065 . . . . . . B 126 ARG CA . 34691 1 124 . 2 . 2 13 13 ARG CB C 13 32.537 0.020 . . . . . . B 126 ARG CB . 34691 1 125 . 2 . 2 13 13 ARG CG C 13 29.262 0.015 . . . . . . B 126 ARG CG . 34691 1 126 . 2 . 2 13 13 ARG CD C 13 43.447 0.044 . . . . . . B 126 ARG CD . 34691 1 127 . 2 . 2 13 13 ARG N N 15 125.507 0.011 . . . . . . B 126 ARG N . 34691 1 128 . 2 . 2 14 14 LEU H H 1 9.637 0.007 . . . . . . B 127 LEU H . 34691 1 129 . 2 . 2 14 14 LEU HA H 1 5.087 0.005 . . . . . . B 127 LEU HA . 34691 1 130 . 2 . 2 14 14 LEU HB2 H 1 1.175 0.009 . . . . . . B 127 LEU HB2 . 34691 1 131 . 2 . 2 14 14 LEU HB3 H 1 1.634 0.003 . . . . . . B 127 LEU HB3 . 34691 1 132 . 2 . 2 14 14 LEU HG H 1 1.774 0.003 . . . . . . B 127 LEU HG . 34691 1 133 . 2 . 2 14 14 LEU HD11 H 1 0.485 0.004 . . . . . . B 127 LEU HD11 . 34691 1 134 . 2 . 2 14 14 LEU HD12 H 1 0.485 0.004 . . . . . . B 127 LEU HD12 . 34691 1 135 . 2 . 2 14 14 LEU HD13 H 1 0.485 0.004 . . . . . . B 127 LEU HD13 . 34691 1 136 . 2 . 2 14 14 LEU HD21 H 1 0.794 0.004 . . . . . . B 127 LEU HD21 . 34691 1 137 . 2 . 2 14 14 LEU HD22 H 1 0.794 0.004 . . . . . . B 127 LEU HD22 . 34691 1 138 . 2 . 2 14 14 LEU HD23 H 1 0.794 0.004 . . . . . . B 127 LEU HD23 . 34691 1 139 . 2 . 2 14 14 LEU CA C 13 53.749 0.009 . . . . . . B 127 LEU CA . 34691 1 140 . 2 . 2 14 14 LEU CB C 13 43.547 0.004 . . . . . . B 127 LEU CB . 34691 1 141 . 2 . 2 14 14 LEU CG C 13 26.856 0.020 . . . . . . B 127 LEU CG . 34691 1 142 . 2 . 2 14 14 LEU CD1 C 13 24.200 0.004 . . . . . . B 127 LEU CD1 . 34691 1 143 . 2 . 2 14 14 LEU CD2 C 13 26.393 0.028 . . . . . . B 127 LEU CD2 . 34691 1 144 . 2 . 2 14 14 LEU N N 15 129.336 0.004 . . . . . . B 127 LEU N . 34691 1 145 . 2 . 2 15 15 PHE H H 1 9.304 0.006 . . . . . . B 128 PHE H . 34691 1 146 . 2 . 2 15 15 PHE HA H 1 4.764 0.012 . . . . . . B 128 PHE HA . 34691 1 147 . 2 . 2 15 15 PHE HB2 H 1 2.661 0.023 . . . . . . B 128 PHE HB2 . 34691 1 148 . 2 . 2 15 15 PHE HB3 H 1 2.661 0.023 . . . . . . B 128 PHE HB3 . 34691 1 149 . 2 . 2 15 15 PHE HD1 H 1 6.629 0.010 . . . . . . B 128 PHE HD1 . 34691 1 150 . 2 . 2 15 15 PHE HD2 H 1 6.629 0.010 . . . . . . B 128 PHE HD2 . 34691 1 151 . 2 . 2 15 15 PHE HE1 H 1 6.643 0.000 . . . . . . B 128 PHE HE1 . 34691 1 152 . 2 . 2 15 15 PHE HE2 H 1 6.643 0.000 . . . . . . B 128 PHE HE2 . 34691 1 153 . 2 . 2 15 15 PHE HZ H 1 6.614 0.009 . . . . . . B 128 PHE HZ . 34691 1 154 . 2 . 2 15 15 PHE CA C 13 56.522 0.027 . . . . . . B 128 PHE CA . 34691 1 155 . 2 . 2 15 15 PHE CB C 13 41.045 0.011 . . . . . . B 128 PHE CB . 34691 1 156 . 2 . 2 15 15 PHE CD1 C 13 131.453 0.000 . . . . . . B 128 PHE CD1 . 34691 1 157 . 2 . 2 15 15 PHE CZ C 13 128.375 0.000 . . . . . . B 128 PHE CZ . 34691 1 158 . 2 . 2 15 15 PHE N N 15 125.130 0.002 . . . . . . B 128 PHE N . 34691 1 159 . 2 . 2 16 16 VAL H H 1 8.366 0.008 . . . . . . B 129 VAL H . 34691 1 160 . 2 . 2 16 16 VAL HA H 1 5.120 0.005 . . . . . . B 129 VAL HA . 34691 1 161 . 2 . 2 16 16 VAL HB H 1 1.789 0.006 . . . . . . B 129 VAL HB . 34691 1 162 . 2 . 2 16 16 VAL HG11 H 1 0.759 0.005 . . . . . . B 129 VAL HG11 . 34691 1 163 . 2 . 2 16 16 VAL HG12 H 1 0.759 0.005 . . . . . . B 129 VAL HG12 . 34691 1 164 . 2 . 2 16 16 VAL HG13 H 1 0.759 0.005 . . . . . . B 129 VAL HG13 . 34691 1 165 . 2 . 2 16 16 VAL HG21 H 1 1.050 0.003 . . . . . . B 129 VAL HG21 . 34691 1 166 . 2 . 2 16 16 VAL HG22 H 1 1.050 0.003 . . . . . . B 129 VAL HG22 . 34691 1 167 . 2 . 2 16 16 VAL HG23 H 1 1.050 0.003 . . . . . . B 129 VAL HG23 . 34691 1 168 . 2 . 2 16 16 VAL CA C 13 59.932 0.009 . . . . . . B 129 VAL CA . 34691 1 169 . 2 . 2 16 16 VAL CB C 13 35.178 0.003 . . . . . . B 129 VAL CB . 34691 1 170 . 2 . 2 16 16 VAL CG1 C 13 21.400 0.002 . . . . . . B 129 VAL CG1 . 34691 1 171 . 2 . 2 16 16 VAL CG2 C 13 23.478 0.002 . . . . . . B 129 VAL CG2 . 34691 1 172 . 2 . 2 16 16 VAL N N 15 126.306 0.006 . . . . . . B 129 VAL N . 34691 1 173 . 2 . 2 17 17 ARG H H 1 8.237 0.002 . . . . . . B 130 ARG H . 34691 1 174 . 2 . 2 17 17 ARG HA H 1 4.371 0.009 . . . . . . B 130 ARG HA . 34691 1 175 . 2 . 2 17 17 ARG HB2 H 1 1.543 0.010 . . . . . . B 130 ARG HB2 . 34691 1 176 . 2 . 2 17 17 ARG HB3 H 1 1.543 0.010 . . . . . . B 130 ARG HB3 . 34691 1 177 . 2 . 2 17 17 ARG HG2 H 1 1.200 0.008 . . . . . . B 130 ARG HG2 . 34691 1 178 . 2 . 2 17 17 ARG HG3 H 1 1.302 0.034 . . . . . . B 130 ARG HG3 . 34691 1 179 . 2 . 2 17 17 ARG HD2 H 1 2.840 0.011 . . . . . . B 130 ARG HD2 . 34691 1 180 . 2 . 2 17 17 ARG HD3 H 1 3.165 0.005 . . . . . . B 130 ARG HD3 . 34691 1 181 . 2 . 2 17 17 ARG HE H 1 7.317 0.000 . . . . . . B 130 ARG HE . 34691 1 182 . 2 . 2 17 17 ARG CA C 13 53.813 0.028 . . . . . . B 130 ARG CA . 34691 1 183 . 2 . 2 17 17 ARG CB C 13 30.893 0.020 . . . . . . B 130 ARG CB . 34691 1 184 . 2 . 2 17 17 ARG CG C 13 24.307 0.032 . . . . . . B 130 ARG CG . 34691 1 185 . 2 . 2 17 17 ARG CD C 13 43.305 0.027 . . . . . . B 130 ARG CD . 34691 1 186 . 2 . 2 17 17 ARG N N 15 122.316 0.003 . . . . . . B 130 ARG N . 34691 1 187 . 2 . 2 17 17 ARG NE N 15 83.310 0.032 . . . . . . B 130 ARG NE . 34691 1 188 . 2 . 2 18 18 PRO HA H 1 4.779 0.004 . . . . . . B 131 PRO HA . 34691 1 189 . 2 . 2 18 18 PRO HB2 H 1 1.918 0.008 . . . . . . B 131 PRO HB2 . 34691 1 190 . 2 . 2 18 18 PRO HB3 H 1 2.099 0.005 . . . . . . B 131 PRO HB3 . 34691 1 191 . 2 . 2 18 18 PRO HG2 H 1 1.679 0.004 . . . . . . B 131 PRO HG2 . 34691 1 192 . 2 . 2 18 18 PRO HG3 H 1 1.816 0.005 . . . . . . B 131 PRO HG3 . 34691 1 193 . 2 . 2 18 18 PRO HD2 H 1 3.491 0.008 . . . . . . B 131 PRO HD2 . 34691 1 194 . 2 . 2 18 18 PRO HD3 H 1 3.569 0.003 . . . . . . B 131 PRO HD3 . 34691 1 195 . 2 . 2 18 18 PRO CA C 13 61.511 0.031 . . . . . . B 131 PRO CA . 34691 1 196 . 2 . 2 18 18 PRO CB C 13 34.473 0.025 . . . . . . B 131 PRO CB . 34691 1 197 . 2 . 2 18 18 PRO CG C 13 23.596 0.018 . . . . . . B 131 PRO CG . 34691 1 198 . 2 . 2 18 18 PRO CD C 13 50.285 0.036 . . . . . . B 131 PRO CD . 34691 1 199 . 2 . 2 19 19 PHE H H 1 7.305 0.003 . . . . . . B 132 PHE H . 34691 1 200 . 2 . 2 19 19 PHE HA H 1 5.003 0.005 . . . . . . B 132 PHE HA . 34691 1 201 . 2 . 2 19 19 PHE HB2 H 1 2.079 0.007 . . . . . . B 132 PHE HB2 . 34691 1 202 . 2 . 2 19 19 PHE HB3 H 1 3.004 0.003 . . . . . . B 132 PHE HB3 . 34691 1 203 . 2 . 2 19 19 PHE HD1 H 1 6.671 0.001 . . . . . . B 132 PHE HD1 . 34691 1 204 . 2 . 2 19 19 PHE HD2 H 1 6.671 0.001 . . . . . . B 132 PHE HD2 . 34691 1 205 . 2 . 2 19 19 PHE HE1 H 1 6.455 0.003 . . . . . . B 132 PHE HE1 . 34691 1 206 . 2 . 2 19 19 PHE HE2 H 1 6.455 0.003 . . . . . . B 132 PHE HE2 . 34691 1 207 . 2 . 2 19 19 PHE HZ H 1 7.369 0.004 . . . . . . B 132 PHE HZ . 34691 1 208 . 2 . 2 19 19 PHE CA C 13 55.680 0.020 . . . . . . B 132 PHE CA . 34691 1 209 . 2 . 2 19 19 PHE CB C 13 43.248 0.007 . . . . . . B 132 PHE CB . 34691 1 210 . 2 . 2 19 19 PHE CD1 C 13 131.270 0.051 . . . . . . B 132 PHE CD1 . 34691 1 211 . 2 . 2 19 19 PHE CE1 C 13 130.962 0.033 . . . . . . B 132 PHE CE1 . 34691 1 212 . 2 . 2 19 19 PHE CZ C 13 130.763 0.000 . . . . . . B 132 PHE CZ . 34691 1 213 . 2 . 2 19 19 PHE N N 15 113.148 0.000 . . . . . . B 132 PHE N . 34691 1 214 . 2 . 2 20 20 PRO HA H 1 4.643 0.003 . . . . . . B 133 PRO HA . 34691 1 215 . 2 . 2 20 20 PRO HB2 H 1 2.081 0.000 . . . . . . B 133 PRO HB2 . 34691 1 216 . 2 . 2 20 20 PRO HB3 H 1 2.541 0.002 . . . . . . B 133 PRO HB3 . 34691 1 217 . 2 . 2 20 20 PRO HG2 H 1 2.135 0.000 . . . . . . B 133 PRO HG2 . 34691 1 218 . 2 . 2 20 20 PRO HG3 H 1 2.216 0.001 . . . . . . B 133 PRO HG3 . 34691 1 219 . 2 . 2 20 20 PRO HD2 H 1 3.750 0.004 . . . . . . B 133 PRO HD2 . 34691 1 220 . 2 . 2 20 20 PRO HD3 H 1 4.317 0.003 . . . . . . B 133 PRO HD3 . 34691 1 221 . 2 . 2 20 20 PRO CB C 13 32.950 0.011 . . . . . . B 133 PRO CB . 34691 1 222 . 2 . 2 20 20 PRO CG C 13 27.906 0.015 . . . . . . B 133 PRO CG . 34691 1 223 . 2 . 2 20 20 PRO CD C 13 51.037 0.025 . . . . . . B 133 PRO CD . 34691 1 224 . 2 . 2 21 21 LEU H H 1 8.661 0.005 . . . . . . B 134 LEU H . 34691 1 225 . 2 . 2 21 21 LEU HA H 1 4.180 0.004 . . . . . . B 134 LEU HA . 34691 1 226 . 2 . 2 21 21 LEU HB2 H 1 1.598 0.002 . . . . . . B 134 LEU HB2 . 34691 1 227 . 2 . 2 21 21 LEU HB3 H 1 1.693 0.007 . . . . . . B 134 LEU HB3 . 34691 1 228 . 2 . 2 21 21 LEU HG H 1 1.759 0.002 . . . . . . B 134 LEU HG . 34691 1 229 . 2 . 2 21 21 LEU HD11 H 1 0.828 0.005 . . . . . . B 134 LEU HD11 . 34691 1 230 . 2 . 2 21 21 LEU HD12 H 1 0.828 0.005 . . . . . . B 134 LEU HD12 . 34691 1 231 . 2 . 2 21 21 LEU HD13 H 1 0.828 0.005 . . . . . . B 134 LEU HD13 . 34691 1 232 . 2 . 2 21 21 LEU HD21 H 1 0.916 0.006 . . . . . . B 134 LEU HD21 . 34691 1 233 . 2 . 2 21 21 LEU HD22 H 1 0.916 0.006 . . . . . . B 134 LEU HD22 . 34691 1 234 . 2 . 2 21 21 LEU HD23 H 1 0.916 0.006 . . . . . . B 134 LEU HD23 . 34691 1 235 . 2 . 2 21 21 LEU CA C 13 57.164 0.005 . . . . . . B 134 LEU CA . 34691 1 236 . 2 . 2 21 21 LEU CB C 13 41.242 0.019 . . . . . . B 134 LEU CB . 34691 1 237 . 2 . 2 21 21 LEU CG C 13 27.523 0.093 . . . . . . B 134 LEU CG . 34691 1 238 . 2 . 2 21 21 LEU CD1 C 13 22.753 0.034 . . . . . . B 134 LEU CD1 . 34691 1 239 . 2 . 2 21 21 LEU CD2 C 13 24.955 0.013 . . . . . . B 134 LEU CD2 . 34691 1 240 . 2 . 2 21 21 LEU N N 15 121.599 0.001 . . . . . . B 134 LEU N . 34691 1 241 . 2 . 2 22 22 ASP H H 1 8.150 0.006 . . . . . . B 135 ASP H . 34691 1 242 . 2 . 2 22 22 ASP HA H 1 4.623 0.006 . . . . . . B 135 ASP HA . 34691 1 243 . 2 . 2 22 22 ASP HB2 H 1 2.529 0.005 . . . . . . B 135 ASP HB2 . 34691 1 244 . 2 . 2 22 22 ASP HB3 H 1 2.937 0.005 . . . . . . B 135 ASP HB3 . 34691 1 245 . 2 . 2 22 22 ASP CA C 13 52.811 0.004 . . . . . . B 135 ASP CA . 34691 1 246 . 2 . 2 22 22 ASP CB C 13 39.797 0.007 . . . . . . B 135 ASP CB . 34691 1 247 . 2 . 2 22 22 ASP N N 15 115.002 0.002 . . . . . . B 135 ASP N . 34691 1 248 . 2 . 2 23 23 VAL H H 1 7.016 0.003 . . . . . . B 136 VAL H . 34691 1 249 . 2 . 2 23 23 VAL HA H 1 4.185 0.003 . . . . . . B 136 VAL HA . 34691 1 250 . 2 . 2 23 23 VAL HB H 1 2.021 0.008 . . . . . . B 136 VAL HB . 34691 1 251 . 2 . 2 23 23 VAL HG11 H 1 0.528 0.006 . . . . . . B 136 VAL HG11 . 34691 1 252 . 2 . 2 23 23 VAL HG12 H 1 0.528 0.006 . . . . . . B 136 VAL HG12 . 34691 1 253 . 2 . 2 23 23 VAL HG13 H 1 0.528 0.006 . . . . . . B 136 VAL HG13 . 34691 1 254 . 2 . 2 23 23 VAL HG21 H 1 0.835 0.005 . . . . . . B 136 VAL HG21 . 34691 1 255 . 2 . 2 23 23 VAL HG22 H 1 0.835 0.005 . . . . . . B 136 VAL HG22 . 34691 1 256 . 2 . 2 23 23 VAL HG23 H 1 0.835 0.005 . . . . . . B 136 VAL HG23 . 34691 1 257 . 2 . 2 23 23 VAL CA C 13 62.479 0.013 . . . . . . B 136 VAL CA . 34691 1 258 . 2 . 2 23 23 VAL CB C 13 32.344 0.027 . . . . . . B 136 VAL CB . 34691 1 259 . 2 . 2 23 23 VAL CG1 C 13 20.329 0.001 . . . . . . B 136 VAL CG1 . 34691 1 260 . 2 . 2 23 23 VAL CG2 C 13 22.560 0.084 . . . . . . B 136 VAL CG2 . 34691 1 261 . 2 . 2 23 23 VAL N N 15 121.158 0.000 . . . . . . B 136 VAL N . 34691 1 262 . 2 . 2 24 24 GLN H H 1 8.552 0.004 . . . . . . B 137 GLN H . 34691 1 263 . 2 . 2 24 24 GLN HA H 1 4.638 0.003 . . . . . . B 137 GLN HA . 34691 1 264 . 2 . 2 24 24 GLN HB2 H 1 1.958 0.006 . . . . . . B 137 GLN HB2 . 34691 1 265 . 2 . 2 24 24 GLN HB3 H 1 2.391 0.000 . . . . . . B 137 GLN HB3 . 34691 1 266 . 2 . 2 24 24 GLN HG2 H 1 2.434 0.000 . . . . . . B 137 GLN HG2 . 34691 1 267 . 2 . 2 24 24 GLN HG3 H 1 2.492 0.000 . . . . . . B 137 GLN HG3 . 34691 1 268 . 2 . 2 24 24 GLN HE21 H 1 6.773 0.005 . . . . . . B 137 GLN HE21 . 34691 1 269 . 2 . 2 24 24 GLN HE22 H 1 7.451 0.007 . . . . . . B 137 GLN HE22 . 34691 1 270 . 2 . 2 24 24 GLN CB C 13 32.004 0.013 . . . . . . B 137 GLN CB . 34691 1 271 . 2 . 2 24 24 GLN CG C 13 34.331 0.012 . . . . . . B 137 GLN CG . 34691 1 272 . 2 . 2 24 24 GLN N N 15 124.064 0.006 . . . . . . B 137 GLN N . 34691 1 273 . 2 . 2 24 24 GLN NE2 N 15 114.088 0.265 . . . . . . B 137 GLN NE2 . 34691 1 274 . 2 . 2 25 25 GLU H H 1 9.129 0.002 . . . . . . B 138 GLU H . 34691 1 275 . 2 . 2 25 25 GLU HA H 1 3.586 0.003 . . . . . . B 138 GLU HA . 34691 1 276 . 2 . 2 25 25 GLU HB2 H 1 1.966 0.003 . . . . . . B 138 GLU HB2 . 34691 1 277 . 2 . 2 25 25 GLU HB3 H 1 2.078 0.006 . . . . . . B 138 GLU HB3 . 34691 1 278 . 2 . 2 25 25 GLU HG2 H 1 2.179 0.003 . . . . . . B 138 GLU HG2 . 34691 1 279 . 2 . 2 25 25 GLU HG3 H 1 2.179 0.003 . . . . . . B 138 GLU HG3 . 34691 1 280 . 2 . 2 25 25 GLU CA C 13 61.007 0.005 . . . . . . B 138 GLU CA . 34691 1 281 . 2 . 2 25 25 GLU CB C 13 29.433 0.010 . . . . . . B 138 GLU CB . 34691 1 282 . 2 . 2 25 25 GLU CG C 13 36.592 0.000 . . . . . . B 138 GLU CG . 34691 1 283 . 2 . 2 25 25 GLU N N 15 124.089 0.001 . . . . . . B 138 GLU N . 34691 1 284 . 2 . 2 26 26 SER H H 1 8.561 0.010 . . . . . . B 139 SER H . 34691 1 285 . 2 . 2 26 26 SER HA H 1 4.099 0.004 . . . . . . B 139 SER HA . 34691 1 286 . 2 . 2 26 26 SER HB2 H 1 3.927 0.003 . . . . . . B 139 SER HB2 . 34691 1 287 . 2 . 2 26 26 SER HB3 H 1 3.927 0.003 . . . . . . B 139 SER HB3 . 34691 1 288 . 2 . 2 26 26 SER CA C 13 61.495 0.016 . . . . . . B 139 SER CA . 34691 1 289 . 2 . 2 26 26 SER CB C 13 61.865 0.045 . . . . . . B 139 SER CB . 34691 1 290 . 2 . 2 26 26 SER N N 15 112.850 0.004 . . . . . . B 139 SER N . 34691 1 291 . 2 . 2 27 27 GLU H H 1 7.310 0.006 . . . . . . B 140 GLU H . 34691 1 292 . 2 . 2 27 27 GLU HA H 1 4.197 0.002 . . . . . . B 140 GLU HA . 34691 1 293 . 2 . 2 27 27 GLU HB2 H 1 2.068 0.004 . . . . . . B 140 GLU HB2 . 34691 1 294 . 2 . 2 27 27 GLU HB3 H 1 2.399 0.000 . . . . . . B 140 GLU HB3 . 34691 1 295 . 2 . 2 27 27 GLU HG2 H 1 2.307 0.000 . . . . . . B 140 GLU HG2 . 34691 1 296 . 2 . 2 27 27 GLU HG3 H 1 2.374 0.000 . . . . . . B 140 GLU HG3 . 34691 1 297 . 2 . 2 27 27 GLU CA C 13 59.355 0.005 . . . . . . B 140 GLU CA . 34691 1 298 . 2 . 2 27 27 GLU CB C 13 29.617 0.002 . . . . . . B 140 GLU CB . 34691 1 299 . 2 . 2 27 27 GLU CG C 13 38.434 0.010 . . . . . . B 140 GLU CG . 34691 1 300 . 2 . 2 27 27 GLU N N 15 121.973 0.000 . . . . . . B 140 GLU N . 34691 1 301 . 2 . 2 28 28 LEU H H 1 7.083 0.005 . . . . . . B 141 LEU H . 34691 1 302 . 2 . 2 28 28 LEU HA H 1 4.036 0.005 . . . . . . B 141 LEU HA . 34691 1 303 . 2 . 2 28 28 LEU HB2 H 1 1.418 0.007 . . . . . . B 141 LEU HB2 . 34691 1 304 . 2 . 2 28 28 LEU HB3 H 1 1.667 0.004 . . . . . . B 141 LEU HB3 . 34691 1 305 . 2 . 2 28 28 LEU HG H 1 1.238 0.005 . . . . . . B 141 LEU HG . 34691 1 306 . 2 . 2 28 28 LEU HD11 H 1 0.076 0.000 . . . . . . B 141 LEU HD11 . 34691 1 307 . 2 . 2 28 28 LEU HD12 H 1 0.076 0.000 . . . . . . B 141 LEU HD12 . 34691 1 308 . 2 . 2 28 28 LEU HD13 H 1 0.076 0.000 . . . . . . B 141 LEU HD13 . 34691 1 309 . 2 . 2 28 28 LEU HD21 H 1 0.143 0.000 . . . . . . B 141 LEU HD21 . 34691 1 310 . 2 . 2 28 28 LEU HD22 H 1 0.143 0.000 . . . . . . B 141 LEU HD22 . 34691 1 311 . 2 . 2 28 28 LEU HD23 H 1 0.143 0.000 . . . . . . B 141 LEU HD23 . 34691 1 312 . 2 . 2 28 28 LEU CA C 13 58.448 0.036 . . . . . . B 141 LEU CA . 34691 1 313 . 2 . 2 28 28 LEU CB C 13 41.469 0.004 . . . . . . B 141 LEU CB . 34691 1 314 . 2 . 2 28 28 LEU CG C 13 29.861 0.016 . . . . . . B 141 LEU CG . 34691 1 315 . 2 . 2 28 28 LEU CD1 C 13 24.569 0.003 . . . . . . B 141 LEU CD1 . 34691 1 316 . 2 . 2 28 28 LEU CD2 C 13 25.295 0.003 . . . . . . B 141 LEU CD2 . 34691 1 317 . 2 . 2 28 28 LEU N N 15 120.114 0.001 . . . . . . B 141 LEU N . 34691 1 318 . 2 . 2 29 29 ASN H H 1 8.574 0.003 . . . . . . B 142 ASN H . 34691 1 319 . 2 . 2 29 29 ASN HA H 1 4.313 0.006 . . . . . . B 142 ASN HA . 34691 1 320 . 2 . 2 29 29 ASN HB2 H 1 2.793 0.000 . . . . . . B 142 ASN HB2 . 34691 1 321 . 2 . 2 29 29 ASN HB3 H 1 2.846 0.000 . . . . . . B 142 ASN HB3 . 34691 1 322 . 2 . 2 29 29 ASN HD21 H 1 6.682 0.003 . . . . . . B 142 ASN HD21 . 34691 1 323 . 2 . 2 29 29 ASN HD22 H 1 7.259 0.007 . . . . . . B 142 ASN HD22 . 34691 1 324 . 2 . 2 29 29 ASN CA C 13 56.731 0.016 . . . . . . B 142 ASN CA . 34691 1 325 . 2 . 2 29 29 ASN CB C 13 38.209 0.007 . . . . . . B 142 ASN CB . 34691 1 326 . 2 . 2 29 29 ASN N N 15 119.962 0.003 . . . . . . B 142 ASN N . 34691 1 327 . 2 . 2 29 29 ASN ND2 N 15 108.865 0.020 . . . . . . B 142 ASN ND2 . 34691 1 328 . 2 . 2 30 30 GLU H H 1 7.622 0.002 . . . . . . B 143 GLU H . 34691 1 329 . 2 . 2 30 30 GLU HA H 1 4.041 0.004 . . . . . . B 143 GLU HA . 34691 1 330 . 2 . 2 30 30 GLU HB2 H 1 2.141 0.000 . . . . . . B 143 GLU HB2 . 34691 1 331 . 2 . 2 30 30 GLU HB3 H 1 2.201 0.000 . . . . . . B 143 GLU HB3 . 34691 1 332 . 2 . 2 30 30 GLU HG2 H 1 2.292 0.000 . . . . . . B 143 GLU HG2 . 34691 1 333 . 2 . 2 30 30 GLU HG3 H 1 2.434 0.003 . . . . . . B 143 GLU HG3 . 34691 1 334 . 2 . 2 30 30 GLU CA C 13 59.215 0.002 . . . . . . B 143 GLU CA . 34691 1 335 . 2 . 2 30 30 GLU CB C 13 29.929 0.008 . . . . . . B 143 GLU CB . 34691 1 336 . 2 . 2 30 30 GLU CG C 13 36.450 0.018 . . . . . . B 143 GLU CG . 34691 1 337 . 2 . 2 30 30 GLU N N 15 119.780 0.000 . . . . . . B 143 GLU N . 34691 1 338 . 2 . 2 31 31 ILE H H 1 7.089 0.004 . . . . . . B 144 ILE H . 34691 1 339 . 2 . 2 31 31 ILE HA H 1 3.701 0.004 . . . . . . B 144 ILE HA . 34691 1 340 . 2 . 2 31 31 ILE HB H 1 1.469 0.003 . . . . . . B 144 ILE HB . 34691 1 341 . 2 . 2 31 31 ILE HG12 H 1 0.917 0.003 . . . . . . B 144 ILE HG12 . 34691 1 342 . 2 . 2 31 31 ILE HG13 H 1 1.723 0.005 . . . . . . B 144 ILE HG13 . 34691 1 343 . 2 . 2 31 31 ILE HG21 H 1 0.085 0.003 . . . . . . B 144 ILE HG21 . 34691 1 344 . 2 . 2 31 31 ILE HG22 H 1 0.085 0.003 . . . . . . B 144 ILE HG22 . 34691 1 345 . 2 . 2 31 31 ILE HG23 H 1 0.085 0.003 . . . . . . B 144 ILE HG23 . 34691 1 346 . 2 . 2 31 31 ILE HD11 H 1 0.604 0.003 . . . . . . B 144 ILE HD11 . 34691 1 347 . 2 . 2 31 31 ILE HD12 H 1 0.604 0.003 . . . . . . B 144 ILE HD12 . 34691 1 348 . 2 . 2 31 31 ILE HD13 H 1 0.604 0.003 . . . . . . B 144 ILE HD13 . 34691 1 349 . 2 . 2 31 31 ILE CA C 13 64.174 0.005 . . . . . . B 144 ILE CA . 34691 1 350 . 2 . 2 31 31 ILE CB C 13 39.788 0.006 . . . . . . B 144 ILE CB . 34691 1 351 . 2 . 2 31 31 ILE CG1 C 13 27.768 0.032 . . . . . . B 144 ILE CG1 . 34691 1 352 . 2 . 2 31 31 ILE CG2 C 13 17.456 0.003 . . . . . . B 144 ILE CG2 . 34691 1 353 . 2 . 2 31 31 ILE CD1 C 13 13.546 0.002 . . . . . . B 144 ILE CD1 . 34691 1 354 . 2 . 2 31 31 ILE N N 15 116.123 0.002 . . . . . . B 144 ILE N . 34691 1 355 . 2 . 2 32 32 PHE H H 1 8.116 0.003 . . . . . . B 145 PHE H . 34691 1 356 . 2 . 2 32 32 PHE HA H 1 4.940 0.004 . . . . . . B 145 PHE HA . 34691 1 357 . 2 . 2 32 32 PHE HB2 H 1 2.781 0.005 . . . . . . B 145 PHE HB2 . 34691 1 358 . 2 . 2 32 32 PHE HB3 H 1 3.583 0.004 . . . . . . B 145 PHE HB3 . 34691 1 359 . 2 . 2 32 32 PHE HD1 H 1 7.489 0.009 . . . . . . B 145 PHE HD1 . 34691 1 360 . 2 . 2 32 32 PHE HD2 H 1 7.489 0.009 . . . . . . B 145 PHE HD2 . 34691 1 361 . 2 . 2 32 32 PHE HE1 H 1 7.030 0.011 . . . . . . B 145 PHE HE1 . 34691 1 362 . 2 . 2 32 32 PHE HE2 H 1 7.030 0.011 . . . . . . B 145 PHE HE2 . 34691 1 363 . 2 . 2 32 32 PHE HZ H 1 7.122 0.001 . . . . . . B 145 PHE HZ . 34691 1 364 . 2 . 2 32 32 PHE CA C 13 61.256 0.017 . . . . . . B 145 PHE CA . 34691 1 365 . 2 . 2 32 32 PHE CB C 13 41.299 0.004 . . . . . . B 145 PHE CB . 34691 1 366 . 2 . 2 32 32 PHE CD1 C 13 132.206 0.009 . . . . . . B 145 PHE CD1 . 34691 1 367 . 2 . 2 32 32 PHE CE1 C 13 130.334 0.018 . . . . . . B 145 PHE CE1 . 34691 1 368 . 2 . 2 32 32 PHE CZ C 13 130.078 0.000 . . . . . . B 145 PHE CZ . 34691 1 369 . 2 . 2 32 32 PHE N N 15 113.177 0.001 . . . . . . B 145 PHE N . 34691 1 370 . 2 . 2 33 33 GLY H H 1 8.282 0.003 . . . . . . B 146 GLY H . 34691 1 371 . 2 . 2 33 33 GLY HA2 H 1 4.224 0.003 . . . . . . B 146 GLY HA2 . 34691 1 372 . 2 . 2 33 33 GLY HA3 H 1 4.224 0.003 . . . . . . B 146 GLY HA3 . 34691 1 373 . 2 . 2 33 33 GLY CA C 13 48.123 0.000 . . . . . . B 146 GLY CA . 34691 1 374 . 2 . 2 33 33 GLY N N 15 109.675 0.000 . . . . . . B 146 GLY N . 34691 1 375 . 2 . 2 34 34 PRO HA H 1 4.136 0.005 . . . . . . B 147 PRO HA . 34691 1 376 . 2 . 2 34 34 PRO HB2 H 1 0.627 0.003 . . . . . . B 147 PRO HB2 . 34691 1 377 . 2 . 2 34 34 PRO HB3 H 1 2.040 0.004 . . . . . . B 147 PRO HB3 . 34691 1 378 . 2 . 2 34 34 PRO HG2 H 1 1.703 0.002 . . . . . . B 147 PRO HG2 . 34691 1 379 . 2 . 2 34 34 PRO HG3 H 1 1.703 0.002 . . . . . . B 147 PRO HG3 . 34691 1 380 . 2 . 2 34 34 PRO HD2 H 1 3.055 0.003 . . . . . . B 147 PRO HD2 . 34691 1 381 . 2 . 2 34 34 PRO HD3 H 1 3.520 0.003 . . . . . . B 147 PRO HD3 . 34691 1 382 . 2 . 2 34 34 PRO CA C 13 65.099 0.005 . . . . . . B 147 PRO CA . 34691 1 383 . 2 . 2 34 34 PRO CB C 13 31.934 0.032 . . . . . . B 147 PRO CB . 34691 1 384 . 2 . 2 34 34 PRO CG C 13 28.069 0.008 . . . . . . B 147 PRO CG . 34691 1 385 . 2 . 2 34 34 PRO CD C 13 52.322 0.004 . . . . . . B 147 PRO CD . 34691 1 386 . 2 . 2 35 35 PHE H H 1 7.542 0.007 . . . . . . B 148 PHE H . 34691 1 387 . 2 . 2 35 35 PHE HA H 1 4.312 0.005 . . . . . . B 148 PHE HA . 34691 1 388 . 2 . 2 35 35 PHE HB2 H 1 2.998 0.006 . . . . . . B 148 PHE HB2 . 34691 1 389 . 2 . 2 35 35 PHE HB3 H 1 3.220 0.005 . . . . . . B 148 PHE HB3 . 34691 1 390 . 2 . 2 35 35 PHE HD1 H 1 7.359 0.005 . . . . . . B 148 PHE HD1 . 34691 1 391 . 2 . 2 35 35 PHE HD2 H 1 7.359 0.005 . . . . . . B 148 PHE HD2 . 34691 1 392 . 2 . 2 35 35 PHE HE1 H 1 7.516 0.002 . . . . . . B 148 PHE HE1 . 34691 1 393 . 2 . 2 35 35 PHE HE2 H 1 7.516 0.002 . . . . . . B 148 PHE HE2 . 34691 1 394 . 2 . 2 35 35 PHE HZ H 1 7.138 0.010 . . . . . . B 148 PHE HZ . 34691 1 395 . 2 . 2 35 35 PHE CA C 13 60.012 0.021 . . . . . . B 148 PHE CA . 34691 1 396 . 2 . 2 35 35 PHE CB C 13 38.485 0.005 . . . . . . B 148 PHE CB . 34691 1 397 . 2 . 2 35 35 PHE CD1 C 13 131.964 0.051 . . . . . . B 148 PHE CD1 . 34691 1 398 . 2 . 2 35 35 PHE CE1 C 13 131.406 0.039 . . . . . . B 148 PHE CE1 . 34691 1 399 . 2 . 2 35 35 PHE CZ C 13 130.026 0.002 . . . . . . B 148 PHE CZ . 34691 1 400 . 2 . 2 35 35 PHE N N 15 112.706 0.000 . . . . . . B 148 PHE N . 34691 1 401 . 2 . 2 36 36 GLY H H 1 7.752 0.002 . . . . . . B 149 GLY H . 34691 1 402 . 2 . 2 36 36 GLY HA2 H 1 4.019 0.004 . . . . . . B 149 GLY HA2 . 34691 1 403 . 2 . 2 36 36 GLY HA3 H 1 4.019 0.004 . . . . . . B 149 GLY HA3 . 34691 1 404 . 2 . 2 36 36 GLY CA C 13 44.953 0.000 . . . . . . B 149 GLY CA . 34691 1 405 . 2 . 2 36 36 GLY N N 15 108.798 0.000 . . . . . . B 149 GLY N . 34691 1 406 . 2 . 2 37 37 PRO HA H 1 4.471 0.004 . . . . . . B 150 PRO HA . 34691 1 407 . 2 . 2 37 37 PRO HB2 H 1 1.929 0.008 . . . . . . B 150 PRO HB2 . 34691 1 408 . 2 . 2 37 37 PRO HB3 H 1 2.354 0.003 . . . . . . B 150 PRO HB3 . 34691 1 409 . 2 . 2 37 37 PRO HG2 H 1 2.083 0.003 . . . . . . B 150 PRO HG2 . 34691 1 410 . 2 . 2 37 37 PRO HG3 H 1 2.203 0.004 . . . . . . B 150 PRO HG3 . 34691 1 411 . 2 . 2 37 37 PRO HD2 H 1 3.642 0.004 . . . . . . B 150 PRO HD2 . 34691 1 412 . 2 . 2 37 37 PRO HD3 H 1 3.796 0.003 . . . . . . B 150 PRO HD3 . 34691 1 413 . 2 . 2 37 37 PRO CA C 13 63.676 0.014 . . . . . . B 150 PRO CA . 34691 1 414 . 2 . 2 37 37 PRO CB C 13 32.403 0.033 . . . . . . B 150 PRO CB . 34691 1 415 . 2 . 2 37 37 PRO CG C 13 28.055 0.031 . . . . . . B 150 PRO CG . 34691 1 416 . 2 . 2 37 37 PRO CD C 13 49.914 0.035 . . . . . . B 150 PRO CD . 34691 1 417 . 2 . 2 38 38 MET H H 1 9.055 0.002 . . . . . . B 151 MET H . 34691 1 418 . 2 . 2 38 38 MET HA H 1 4.527 0.001 . . . . . . B 151 MET HA . 34691 1 419 . 2 . 2 38 38 MET HB2 H 1 1.563 0.009 . . . . . . B 151 MET HB2 . 34691 1 420 . 2 . 2 38 38 MET HB3 H 1 1.865 0.005 . . . . . . B 151 MET HB3 . 34691 1 421 . 2 . 2 38 38 MET HG2 H 1 1.468 0.008 . . . . . . B 151 MET HG2 . 34691 1 422 . 2 . 2 38 38 MET HG3 H 1 2.536 0.003 . . . . . . B 151 MET HG3 . 34691 1 423 . 2 . 2 38 38 MET HE1 H 1 1.818 0.000 . . . . . . B 151 MET HE1 . 34691 1 424 . 2 . 2 38 38 MET HE2 H 1 1.818 0.000 . . . . . . B 151 MET HE2 . 34691 1 425 . 2 . 2 38 38 MET HE3 H 1 1.818 0.000 . . . . . . B 151 MET HE3 . 34691 1 426 . 2 . 2 38 38 MET CA C 13 55.818 0.029 . . . . . . B 151 MET CA . 34691 1 427 . 2 . 2 38 38 MET CB C 13 35.355 0.012 . . . . . . B 151 MET CB . 34691 1 428 . 2 . 2 38 38 MET CG C 13 32.100 0.007 . . . . . . B 151 MET CG . 34691 1 429 . 2 . 2 38 38 MET CE C 13 16.816 0.005 . . . . . . B 151 MET CE . 34691 1 430 . 2 . 2 38 38 MET N N 15 124.629 0.002 . . . . . . B 151 MET N . 34691 1 431 . 2 . 2 39 39 LYS H H 1 8.925 0.004 . . . . . . B 152 LYS H . 34691 1 432 . 2 . 2 39 39 LYS HA H 1 4.317 0.004 . . . . . . B 152 LYS HA . 34691 1 433 . 2 . 2 39 39 LYS HB2 H 1 1.426 0.000 . . . . . . B 152 LYS HB2 . 34691 1 434 . 2 . 2 39 39 LYS HB3 H 1 1.426 0.000 . . . . . . B 152 LYS HB3 . 34691 1 435 . 2 . 2 39 39 LYS HG2 H 1 1.264 0.007 . . . . . . B 152 LYS HG2 . 34691 1 436 . 2 . 2 39 39 LYS HG3 H 1 1.336 0.000 . . . . . . B 152 LYS HG3 . 34691 1 437 . 2 . 2 39 39 LYS HD2 H 1 1.582 0.001 . . . . . . B 152 LYS HD2 . 34691 1 438 . 2 . 2 39 39 LYS HD3 H 1 1.618 0.002 . . . . . . B 152 LYS HD3 . 34691 1 439 . 2 . 2 39 39 LYS HE2 H 1 2.957 0.004 . . . . . . B 152 LYS HE2 . 34691 1 440 . 2 . 2 39 39 LYS HE3 H 1 2.957 0.004 . . . . . . B 152 LYS HE3 . 34691 1 441 . 2 . 2 39 39 LYS CA C 13 57.236 0.069 . . . . . . B 152 LYS CA . 34691 1 442 . 2 . 2 39 39 LYS CB C 13 34.964 0.003 . . . . . . B 152 LYS CB . 34691 1 443 . 2 . 2 39 39 LYS CG C 13 24.775 0.015 . . . . . . B 152 LYS CG . 34691 1 444 . 2 . 2 39 39 LYS CD C 13 29.437 0.010 . . . . . . B 152 LYS CD . 34691 1 445 . 2 . 2 39 39 LYS CE C 13 42.067 0.045 . . . . . . B 152 LYS CE . 34691 1 446 . 2 . 2 39 39 LYS N N 15 123.762 0.049 . . . . . . B 152 LYS N . 34691 1 447 . 2 . 2 40 40 GLU H H 1 7.410 0.001 . . . . . . B 153 GLU H . 34691 1 448 . 2 . 2 40 40 GLU HA H 1 4.444 0.004 . . . . . . B 153 GLU HA . 34691 1 449 . 2 . 2 40 40 GLU HB2 H 1 1.788 0.004 . . . . . . B 153 GLU HB2 . 34691 1 450 . 2 . 2 40 40 GLU HB3 H 1 1.968 0.000 . . . . . . B 153 GLU HB3 . 34691 1 451 . 2 . 2 40 40 GLU HG2 H 1 1.897 0.001 . . . . . . B 153 GLU HG2 . 34691 1 452 . 2 . 2 40 40 GLU HG3 H 1 2.150 0.004 . . . . . . B 153 GLU HG3 . 34691 1 453 . 2 . 2 40 40 GLU CA C 13 56.542 0.007 . . . . . . B 153 GLU CA . 34691 1 454 . 2 . 2 40 40 GLU CB C 13 33.748 0.011 . . . . . . B 153 GLU CB . 34691 1 455 . 2 . 2 40 40 GLU CG C 13 36.488 0.007 . . . . . . B 153 GLU CG . 34691 1 456 . 2 . 2 40 40 GLU N N 15 115.303 0.000 . . . . . . B 153 GLU N . 34691 1 457 . 2 . 2 41 41 VAL H H 1 8.212 0.003 . . . . . . B 154 VAL H . 34691 1 458 . 2 . 2 41 41 VAL HA H 1 4.547 0.007 . . . . . . B 154 VAL HA . 34691 1 459 . 2 . 2 41 41 VAL HB H 1 1.870 0.007 . . . . . . B 154 VAL HB . 34691 1 460 . 2 . 2 41 41 VAL HG11 H 1 0.704 0.005 . . . . . . B 154 VAL HG11 . 34691 1 461 . 2 . 2 41 41 VAL HG12 H 1 0.704 0.005 . . . . . . B 154 VAL HG12 . 34691 1 462 . 2 . 2 41 41 VAL HG13 H 1 0.704 0.005 . . . . . . B 154 VAL HG13 . 34691 1 463 . 2 . 2 41 41 VAL HG21 H 1 0.838 0.004 . . . . . . B 154 VAL HG21 . 34691 1 464 . 2 . 2 41 41 VAL HG22 H 1 0.838 0.004 . . . . . . B 154 VAL HG22 . 34691 1 465 . 2 . 2 41 41 VAL HG23 H 1 0.838 0.004 . . . . . . B 154 VAL HG23 . 34691 1 466 . 2 . 2 41 41 VAL CA C 13 61.812 0.012 . . . . . . B 154 VAL CA . 34691 1 467 . 2 . 2 41 41 VAL CB C 13 34.522 0.039 . . . . . . B 154 VAL CB . 34691 1 468 . 2 . 2 41 41 VAL CG1 C 13 21.935 0.003 . . . . . . B 154 VAL CG1 . 34691 1 469 . 2 . 2 41 41 VAL CG2 C 13 22.006 0.005 . . . . . . B 154 VAL CG2 . 34691 1 470 . 2 . 2 41 41 VAL N N 15 124.020 0.004 . . . . . . B 154 VAL N . 34691 1 471 . 2 . 2 42 42 LYS H H 1 9.141 0.007 . . . . . . B 155 LYS H . 34691 1 472 . 2 . 2 42 42 LYS HA H 1 4.658 0.006 . . . . . . B 155 LYS HA . 34691 1 473 . 2 . 2 42 42 LYS HB2 H 1 1.624 0.008 . . . . . . B 155 LYS HB2 . 34691 1 474 . 2 . 2 42 42 LYS HB3 H 1 1.850 0.008 . . . . . . B 155 LYS HB3 . 34691 1 475 . 2 . 2 42 42 LYS HG2 H 1 1.280 0.009 . . . . . . B 155 LYS HG2 . 34691 1 476 . 2 . 2 42 42 LYS HG3 H 1 1.434 0.019 . . . . . . B 155 LYS HG3 . 34691 1 477 . 2 . 2 42 42 LYS HD2 H 1 1.677 0.011 . . . . . . B 155 LYS HD2 . 34691 1 478 . 2 . 2 42 42 LYS HD3 H 1 1.758 0.013 . . . . . . B 155 LYS HD3 . 34691 1 479 . 2 . 2 42 42 LYS HE2 H 1 2.955 0.009 . . . . . . B 155 LYS HE2 . 34691 1 480 . 2 . 2 42 42 LYS HE3 H 1 2.999 0.008 . . . . . . B 155 LYS HE3 . 34691 1 481 . 2 . 2 42 42 LYS CB C 13 35.916 0.033 . . . . . . B 155 LYS CB . 34691 1 482 . 2 . 2 42 42 LYS CG C 13 24.887 0.021 . . . . . . B 155 LYS CG . 34691 1 483 . 2 . 2 42 42 LYS CD C 13 29.544 0.027 . . . . . . B 155 LYS CD . 34691 1 484 . 2 . 2 42 42 LYS CE C 13 42.427 0.041 . . . . . . B 155 LYS CE . 34691 1 485 . 2 . 2 42 42 LYS N N 15 128.876 0.001 . . . . . . B 155 LYS N . 34691 1 486 . 2 . 2 43 43 ILE H H 1 8.807 0.004 . . . . . . B 156 ILE H . 34691 1 487 . 2 . 2 43 43 ILE HA H 1 3.866 0.005 . . . . . . B 156 ILE HA . 34691 1 488 . 2 . 2 43 43 ILE HB H 1 1.643 0.004 . . . . . . B 156 ILE HB . 34691 1 489 . 2 . 2 43 43 ILE HG12 H 1 0.379 0.006 . . . . . . B 156 ILE HG12 . 34691 1 490 . 2 . 2 43 43 ILE HG13 H 1 1.334 0.004 . . . . . . B 156 ILE HG13 . 34691 1 491 . 2 . 2 43 43 ILE HG21 H 1 0.742 0.004 . . . . . . B 156 ILE HG21 . 34691 1 492 . 2 . 2 43 43 ILE HG22 H 1 0.742 0.004 . . . . . . B 156 ILE HG22 . 34691 1 493 . 2 . 2 43 43 ILE HG23 H 1 0.742 0.004 . . . . . . B 156 ILE HG23 . 34691 1 494 . 2 . 2 43 43 ILE HD11 H 1 0.537 0.002 . . . . . . B 156 ILE HD11 . 34691 1 495 . 2 . 2 43 43 ILE HD12 H 1 0.537 0.002 . . . . . . B 156 ILE HD12 . 34691 1 496 . 2 . 2 43 43 ILE HD13 H 1 0.537 0.002 . . . . . . B 156 ILE HD13 . 34691 1 497 . 2 . 2 43 43 ILE CA C 13 62.301 0.002 . . . . . . B 156 ILE CA . 34691 1 498 . 2 . 2 43 43 ILE CB C 13 38.975 0.011 . . . . . . B 156 ILE CB . 34691 1 499 . 2 . 2 43 43 ILE CG1 C 13 28.468 0.010 . . . . . . B 156 ILE CG1 . 34691 1 500 . 2 . 2 43 43 ILE CG2 C 13 18.277 0.002 . . . . . . B 156 ILE CG2 . 34691 1 501 . 2 . 2 43 43 ILE CD1 C 13 13.855 0.003 . . . . . . B 156 ILE CD1 . 34691 1 502 . 2 . 2 43 43 ILE N N 15 127.589 0.002 . . . . . . B 156 ILE N . 34691 1 503 . 2 . 2 44 44 LEU H H 1 8.164 0.001 . . . . . . B 157 LEU H . 34691 1 504 . 2 . 2 44 44 LEU HA H 1 4.581 0.006 . . . . . . B 157 LEU HA . 34691 1 505 . 2 . 2 44 44 LEU HB2 H 1 0.266 0.011 . . . . . . B 157 LEU HB2 . 34691 1 506 . 2 . 2 44 44 LEU HB3 H 1 1.209 0.013 . . . . . . B 157 LEU HB3 . 34691 1 507 . 2 . 2 44 44 LEU HG H 1 1.450 0.004 . . . . . . B 157 LEU HG . 34691 1 508 . 2 . 2 44 44 LEU HD11 H 1 0.988 0.009 . . . . . . B 157 LEU HD11 . 34691 1 509 . 2 . 2 44 44 LEU HD12 H 1 0.988 0.009 . . . . . . B 157 LEU HD12 . 34691 1 510 . 2 . 2 44 44 LEU HD13 H 1 0.988 0.009 . . . . . . B 157 LEU HD13 . 34691 1 511 . 2 . 2 44 44 LEU HD21 H 1 0.922 0.009 . . . . . . B 157 LEU HD21 . 34691 1 512 . 2 . 2 44 44 LEU HD22 H 1 0.922 0.009 . . . . . . B 157 LEU HD22 . 34691 1 513 . 2 . 2 44 44 LEU HD23 H 1 0.922 0.009 . . . . . . B 157 LEU HD23 . 34691 1 514 . 2 . 2 44 44 LEU CA C 13 53.870 0.024 . . . . . . B 157 LEU CA . 34691 1 515 . 2 . 2 44 44 LEU CB C 13 40.172 0.006 . . . . . . B 157 LEU CB . 34691 1 516 . 2 . 2 44 44 LEU CG C 13 28.312 0.017 . . . . . . B 157 LEU CG . 34691 1 517 . 2 . 2 44 44 LEU CD1 C 13 25.986 0.009 . . . . . . B 157 LEU CD1 . 34691 1 518 . 2 . 2 44 44 LEU CD2 C 13 25.050 0.092 . . . . . . B 157 LEU CD2 . 34691 1 519 . 2 . 2 44 44 LEU N N 15 132.134 0.006 . . . . . . B 157 LEU N . 34691 1 520 . 2 . 2 45 45 ASN H H 1 7.384 0.007 . . . . . . B 158 ASN H . 34691 1 521 . 2 . 2 45 45 ASN HA H 1 4.700 0.004 . . . . . . B 158 ASN HA . 34691 1 522 . 2 . 2 45 45 ASN HB2 H 1 2.672 0.009 . . . . . . B 158 ASN HB2 . 34691 1 523 . 2 . 2 45 45 ASN HB3 H 1 2.672 0.009 . . . . . . B 158 ASN HB3 . 34691 1 524 . 2 . 2 45 45 ASN HD21 H 1 6.823 0.003 . . . . . . B 158 ASN HD21 . 34691 1 525 . 2 . 2 45 45 ASN HD22 H 1 7.497 0.003 . . . . . . B 158 ASN HD22 . 34691 1 526 . 2 . 2 45 45 ASN CB C 13 37.031 0.005 . . . . . . B 158 ASN CB . 34691 1 527 . 2 . 2 45 45 ASN N N 15 117.801 0.000 . . . . . . B 158 ASN N . 34691 1 528 . 2 . 2 45 45 ASN ND2 N 15 112.265 0.002 . . . . . . B 158 ASN ND2 . 34691 1 529 . 2 . 2 46 46 GLY H H 1 8.675 0.001 . . . . . . B 159 GLY H . 34691 1 530 . 2 . 2 46 46 GLY HA2 H 1 4.162 0.000 . . . . . . B 159 GLY HA2 . 34691 1 531 . 2 . 2 46 46 GLY HA3 H 1 4.409 0.000 . . . . . . B 159 GLY HA3 . 34691 1 532 . 2 . 2 46 46 GLY CA C 13 45.324 0.000 . . . . . . B 159 GLY CA . 34691 1 533 . 2 . 2 47 47 PHE H H 1 7.237 0.004 . . . . . . B 160 PHE H . 34691 1 534 . 2 . 2 47 47 PHE HA H 1 5.127 0.011 . . . . . . B 160 PHE HA . 34691 1 535 . 2 . 2 47 47 PHE HB2 H 1 2.604 0.023 . . . . . . B 160 PHE HB2 . 34691 1 536 . 2 . 2 47 47 PHE HB3 H 1 2.952 0.011 . . . . . . B 160 PHE HB3 . 34691 1 537 . 2 . 2 47 47 PHE HD1 H 1 6.747 0.008 . . . . . . B 160 PHE HD1 . 34691 1 538 . 2 . 2 47 47 PHE HD2 H 1 6.747 0.008 . . . . . . B 160 PHE HD2 . 34691 1 539 . 2 . 2 47 47 PHE HE1 H 1 7.367 0.015 . . . . . . B 160 PHE HE1 . 34691 1 540 . 2 . 2 47 47 PHE HE2 H 1 7.367 0.015 . . . . . . B 160 PHE HE2 . 34691 1 541 . 2 . 2 47 47 PHE HZ H 1 7.430 0.009 . . . . . . B 160 PHE HZ . 34691 1 542 . 2 . 2 47 47 PHE CA C 13 54.995 0.004 . . . . . . B 160 PHE CA . 34691 1 543 . 2 . 2 47 47 PHE CB C 13 41.311 0.036 . . . . . . B 160 PHE CB . 34691 1 544 . 2 . 2 47 47 PHE CD1 C 13 133.252 0.009 . . . . . . B 160 PHE CD1 . 34691 1 545 . 2 . 2 47 47 PHE CE1 C 13 131.539 0.069 . . . . . . B 160 PHE CE1 . 34691 1 546 . 2 . 2 47 47 PHE CZ C 13 130.458 0.000 . . . . . . B 160 PHE CZ . 34691 1 547 . 2 . 2 47 47 PHE N N 15 116.190 0.003 . . . . . . B 160 PHE N . 34691 1 548 . 2 . 2 48 48 ALA H H 1 9.256 0.003 . . . . . . B 161 ALA H . 34691 1 549 . 2 . 2 48 48 ALA HA H 1 4.983 0.011 . . . . . . B 161 ALA HA . 34691 1 550 . 2 . 2 48 48 ALA HB1 H 1 0.910 0.007 . . . . . . B 161 ALA HB1 . 34691 1 551 . 2 . 2 48 48 ALA HB2 H 1 0.910 0.007 . . . . . . B 161 ALA HB2 . 34691 1 552 . 2 . 2 48 48 ALA HB3 H 1 0.910 0.007 . . . . . . B 161 ALA HB3 . 34691 1 553 . 2 . 2 48 48 ALA CA C 13 50.211 0.014 . . . . . . B 161 ALA CA . 34691 1 554 . 2 . 2 48 48 ALA CB C 13 24.736 0.003 . . . . . . B 161 ALA CB . 34691 1 555 . 2 . 2 48 48 ALA N N 15 121.066 0.001 . . . . . . B 161 ALA N . 34691 1 556 . 2 . 2 49 49 PHE H H 1 8.815 0.003 . . . . . . B 162 PHE H . 34691 1 557 . 2 . 2 49 49 PHE HA H 1 5.797 0.014 . . . . . . B 162 PHE HA . 34691 1 558 . 2 . 2 49 49 PHE HB2 H 1 2.619 0.027 . . . . . . B 162 PHE HB2 . 34691 1 559 . 2 . 2 49 49 PHE HB3 H 1 2.793 0.018 . . . . . . B 162 PHE HB3 . 34691 1 560 . 2 . 2 49 49 PHE HD1 H 1 7.058 0.026 . . . . . . B 162 PHE HD1 . 34691 1 561 . 2 . 2 49 49 PHE HD2 H 1 7.058 0.026 . . . . . . B 162 PHE HD2 . 34691 1 562 . 2 . 2 49 49 PHE HE1 H 1 7.258 0.024 . . . . . . B 162 PHE HE1 . 34691 1 563 . 2 . 2 49 49 PHE HE2 H 1 7.258 0.024 . . . . . . B 162 PHE HE2 . 34691 1 564 . 2 . 2 49 49 PHE HZ H 1 7.197 0.011 . . . . . . B 162 PHE HZ . 34691 1 565 . 2 . 2 49 49 PHE CA C 13 56.214 0.011 . . . . . . B 162 PHE CA . 34691 1 566 . 2 . 2 49 49 PHE CB C 13 42.247 0.019 . . . . . . B 162 PHE CB . 34691 1 567 . 2 . 2 49 49 PHE CD1 C 13 131.819 0.003 . . . . . . B 162 PHE CD1 . 34691 1 568 . 2 . 2 49 49 PHE CE1 C 13 131.219 0.084 . . . . . . B 162 PHE CE1 . 34691 1 569 . 2 . 2 49 49 PHE CZ C 13 129.746 0.025 . . . . . . B 162 PHE CZ . 34691 1 570 . 2 . 2 49 49 PHE N N 15 115.222 0.004 . . . . . . B 162 PHE N . 34691 1 571 . 2 . 2 50 50 VAL H H 1 8.315 0.005 . . . . . . B 163 VAL H . 34691 1 572 . 2 . 2 50 50 VAL HA H 1 4.355 0.004 . . . . . . B 163 VAL HA . 34691 1 573 . 2 . 2 50 50 VAL HB H 1 1.222 0.004 . . . . . . B 163 VAL HB . 34691 1 574 . 2 . 2 50 50 VAL HG11 H 1 0.050 0.000 . . . . . . B 163 VAL HG11 . 34691 1 575 . 2 . 2 50 50 VAL HG12 H 1 0.050 0.000 . . . . . . B 163 VAL HG12 . 34691 1 576 . 2 . 2 50 50 VAL HG13 H 1 0.050 0.000 . . . . . . B 163 VAL HG13 . 34691 1 577 . 2 . 2 50 50 VAL HG21 H 1 0.118 0.000 . . . . . . B 163 VAL HG21 . 34691 1 578 . 2 . 2 50 50 VAL HG22 H 1 0.118 0.000 . . . . . . B 163 VAL HG22 . 34691 1 579 . 2 . 2 50 50 VAL HG23 H 1 0.118 0.000 . . . . . . B 163 VAL HG23 . 34691 1 580 . 2 . 2 50 50 VAL CA C 13 60.529 0.000 . . . . . . B 163 VAL CA . 34691 1 581 . 2 . 2 50 50 VAL CB C 13 35.151 0.003 . . . . . . B 163 VAL CB . 34691 1 582 . 2 . 2 50 50 VAL CG1 C 13 20.883 0.001 . . . . . . B 163 VAL CG1 . 34691 1 583 . 2 . 2 50 50 VAL CG2 C 13 19.970 0.002 . . . . . . B 163 VAL CG2 . 34691 1 584 . 2 . 2 50 50 VAL N N 15 120.195 0.006 . . . . . . B 163 VAL N . 34691 1 585 . 2 . 2 51 51 GLU H H 1 9.048 0.007 . . . . . . B 164 GLU H . 34691 1 586 . 2 . 2 51 51 GLU HA H 1 5.497 0.003 . . . . . . B 164 GLU HA . 34691 1 587 . 2 . 2 51 51 GLU HB2 H 1 1.791 0.005 . . . . . . B 164 GLU HB2 . 34691 1 588 . 2 . 2 51 51 GLU HB3 H 1 1.868 0.002 . . . . . . B 164 GLU HB3 . 34691 1 589 . 2 . 2 51 51 GLU HG2 H 1 2.089 0.008 . . . . . . B 164 GLU HG2 . 34691 1 590 . 2 . 2 51 51 GLU HG3 H 1 2.203 0.007 . . . . . . B 164 GLU HG3 . 34691 1 591 . 2 . 2 51 51 GLU CA C 13 54.057 0.005 . . . . . . B 164 GLU CA . 34691 1 592 . 2 . 2 51 51 GLU CB C 13 32.631 0.012 . . . . . . B 164 GLU CB . 34691 1 593 . 2 . 2 51 51 GLU CG C 13 36.874 0.110 . . . . . . B 164 GLU CG . 34691 1 594 . 2 . 2 51 51 GLU N N 15 126.737 0.003 . . . . . . B 164 GLU N . 34691 1 595 . 2 . 2 52 52 PHE H H 1 8.480 0.004 . . . . . . B 165 PHE H . 34691 1 596 . 2 . 2 52 52 PHE HA H 1 4.737 0.008 . . . . . . B 165 PHE HA . 34691 1 597 . 2 . 2 52 52 PHE HB2 H 1 2.688 0.004 . . . . . . B 165 PHE HB2 . 34691 1 598 . 2 . 2 52 52 PHE HB3 H 1 3.797 0.003 . . . . . . B 165 PHE HB3 . 34691 1 599 . 2 . 2 52 52 PHE HD1 H 1 7.107 0.006 . . . . . . B 165 PHE HD1 . 34691 1 600 . 2 . 2 52 52 PHE HD2 H 1 7.107 0.006 . . . . . . B 165 PHE HD2 . 34691 1 601 . 2 . 2 52 52 PHE HE1 H 1 7.363 0.005 . . . . . . B 165 PHE HE1 . 34691 1 602 . 2 . 2 52 52 PHE HE2 H 1 7.363 0.005 . . . . . . B 165 PHE HE2 . 34691 1 603 . 2 . 2 52 52 PHE HZ H 1 7.695 0.008 . . . . . . B 165 PHE HZ . 34691 1 604 . 2 . 2 52 52 PHE CA C 13 59.197 0.000 . . . . . . B 165 PHE CA . 34691 1 605 . 2 . 2 52 52 PHE CB C 13 41.893 0.020 . . . . . . B 165 PHE CB . 34691 1 606 . 2 . 2 52 52 PHE CD1 C 13 131.751 0.105 . . . . . . B 165 PHE CD1 . 34691 1 607 . 2 . 2 52 52 PHE CE1 C 13 132.166 0.000 . . . . . . B 165 PHE CE1 . 34691 1 608 . 2 . 2 52 52 PHE CZ C 13 130.422 0.003 . . . . . . B 165 PHE CZ . 34691 1 609 . 2 . 2 52 52 PHE N N 15 127.299 0.004 . . . . . . B 165 PHE N . 34691 1 610 . 2 . 2 53 53 GLU H H 1 8.137 0.003 . . . . . . B 166 GLU H . 34691 1 611 . 2 . 2 53 53 GLU HA H 1 4.108 0.004 . . . . . . B 166 GLU HA . 34691 1 612 . 2 . 2 53 53 GLU HB2 H 1 1.962 0.004 . . . . . . B 166 GLU HB2 . 34691 1 613 . 2 . 2 53 53 GLU HB3 H 1 2.211 0.001 . . . . . . B 166 GLU HB3 . 34691 1 614 . 2 . 2 53 53 GLU HG2 H 1 2.073 0.002 . . . . . . B 166 GLU HG2 . 34691 1 615 . 2 . 2 53 53 GLU HG3 H 1 2.186 0.003 . . . . . . B 166 GLU HG3 . 34691 1 616 . 2 . 2 53 53 GLU CA C 13 59.788 0.026 . . . . . . B 166 GLU CA . 34691 1 617 . 2 . 2 53 53 GLU CB C 13 30.731 0.039 . . . . . . B 166 GLU CB . 34691 1 618 . 2 . 2 53 53 GLU CG C 13 36.611 0.009 . . . . . . B 166 GLU CG . 34691 1 619 . 2 . 2 53 53 GLU N N 15 118.041 0.001 . . . . . . B 166 GLU N . 34691 1 620 . 2 . 2 54 54 GLU H H 1 8.538 0.002 . . . . . . B 167 GLU H . 34691 1 621 . 2 . 2 54 54 GLU HA H 1 4.798 0.003 . . . . . . B 167 GLU HA . 34691 1 622 . 2 . 2 54 54 GLU HB2 H 1 2.042 0.004 . . . . . . B 167 GLU HB2 . 34691 1 623 . 2 . 2 54 54 GLU HB3 H 1 2.339 0.000 . . . . . . B 167 GLU HB3 . 34691 1 624 . 2 . 2 54 54 GLU HG2 H 1 2.341 0.000 . . . . . . B 167 GLU HG2 . 34691 1 625 . 2 . 2 54 54 GLU HG3 H 1 2.397 0.000 . . . . . . B 167 GLU HG3 . 34691 1 626 . 2 . 2 54 54 GLU CA C 13 54.474 0.003 . . . . . . B 167 GLU CA . 34691 1 627 . 2 . 2 54 54 GLU CB C 13 32.081 0.027 . . . . . . B 167 GLU CB . 34691 1 628 . 2 . 2 54 54 GLU CG C 13 36.114 0.062 . . . . . . B 167 GLU CG . 34691 1 629 . 2 . 2 54 54 GLU N N 15 114.597 0.002 . . . . . . B 167 GLU N . 34691 1 630 . 2 . 2 55 55 ALA H H 1 8.897 0.003 . . . . . . B 168 ALA H . 34691 1 631 . 2 . 2 55 55 ALA HA H 1 4.204 0.002 . . . . . . B 168 ALA HA . 34691 1 632 . 2 . 2 55 55 ALA HB1 H 1 1.424 0.003 . . . . . . B 168 ALA HB1 . 34691 1 633 . 2 . 2 55 55 ALA HB2 H 1 1.424 0.003 . . . . . . B 168 ALA HB2 . 34691 1 634 . 2 . 2 55 55 ALA HB3 H 1 1.424 0.003 . . . . . . B 168 ALA HB3 . 34691 1 635 . 2 . 2 55 55 ALA CA C 13 55.142 0.002 . . . . . . B 168 ALA CA . 34691 1 636 . 2 . 2 55 55 ALA CB C 13 18.662 0.003 . . . . . . B 168 ALA CB . 34691 1 637 . 2 . 2 55 55 ALA N N 15 127.075 0.002 . . . . . . B 168 ALA N . 34691 1 638 . 2 . 2 56 56 GLU H H 1 9.431 0.004 . . . . . . B 169 GLU H . 34691 1 639 . 2 . 2 56 56 GLU HA H 1 4.092 0.002 . . . . . . B 169 GLU HA . 34691 1 640 . 2 . 2 56 56 GLU HB2 H 1 2.022 0.006 . . . . . . B 169 GLU HB2 . 34691 1 641 . 2 . 2 56 56 GLU HB3 H 1 2.161 0.005 . . . . . . B 169 GLU HB3 . 34691 1 642 . 2 . 2 56 56 GLU HG2 H 1 2.359 0.000 . . . . . . B 169 GLU HG2 . 34691 1 643 . 2 . 2 56 56 GLU HG3 H 1 2.400 0.002 . . . . . . B 169 GLU HG3 . 34691 1 644 . 2 . 2 56 56 GLU CA C 13 60.311 0.034 . . . . . . B 169 GLU CA . 34691 1 645 . 2 . 2 56 56 GLU CB C 13 29.300 0.013 . . . . . . B 169 GLU CB . 34691 1 646 . 2 . 2 56 56 GLU CG C 13 36.898 0.037 . . . . . . B 169 GLU CG . 34691 1 647 . 2 . 2 56 56 GLU N N 15 119.278 0.001 . . . . . . B 169 GLU N . 34691 1 648 . 2 . 2 57 57 SER H H 1 7.128 0.002 . . . . . . B 170 SER H . 34691 1 649 . 2 . 2 57 57 SER HA H 1 4.033 0.006 . . . . . . B 170 SER HA . 34691 1 650 . 2 . 2 57 57 SER HB2 H 1 2.916 0.003 . . . . . . B 170 SER HB2 . 34691 1 651 . 2 . 2 57 57 SER HB3 H 1 3.674 0.003 . . . . . . B 170 SER HB3 . 34691 1 652 . 2 . 2 57 57 SER CA C 13 62.007 0.005 . . . . . . B 170 SER CA . 34691 1 653 . 2 . 2 57 57 SER CB C 13 63.234 0.010 . . . . . . B 170 SER CB . 34691 1 654 . 2 . 2 57 57 SER N N 15 114.592 0.001 . . . . . . B 170 SER N . 34691 1 655 . 2 . 2 58 58 ALA H H 1 6.731 0.004 . . . . . . B 171 ALA H . 34691 1 656 . 2 . 2 58 58 ALA HA H 1 3.694 0.003 . . . . . . B 171 ALA HA . 34691 1 657 . 2 . 2 58 58 ALA HB1 H 1 1.703 0.003 . . . . . . B 171 ALA HB1 . 34691 1 658 . 2 . 2 58 58 ALA HB2 H 1 1.703 0.003 . . . . . . B 171 ALA HB2 . 34691 1 659 . 2 . 2 58 58 ALA HB3 H 1 1.703 0.003 . . . . . . B 171 ALA HB3 . 34691 1 660 . 2 . 2 58 58 ALA CA C 13 55.054 0.001 . . . . . . B 171 ALA CA . 34691 1 661 . 2 . 2 58 58 ALA CB C 13 18.337 0.004 . . . . . . B 171 ALA CB . 34691 1 662 . 2 . 2 58 58 ALA N N 15 121.856 0.000 . . . . . . B 171 ALA N . 34691 1 663 . 2 . 2 59 59 ALA H H 1 7.739 0.003 . . . . . . B 172 ALA H . 34691 1 664 . 2 . 2 59 59 ALA HA H 1 4.024 0.007 . . . . . . B 172 ALA HA . 34691 1 665 . 2 . 2 59 59 ALA HB1 H 1 1.484 0.003 . . . . . . B 172 ALA HB1 . 34691 1 666 . 2 . 2 59 59 ALA HB2 H 1 1.484 0.003 . . . . . . B 172 ALA HB2 . 34691 1 667 . 2 . 2 59 59 ALA HB3 H 1 1.484 0.003 . . . . . . B 172 ALA HB3 . 34691 1 668 . 2 . 2 59 59 ALA CA C 13 55.117 0.006 . . . . . . B 172 ALA CA . 34691 1 669 . 2 . 2 59 59 ALA CB C 13 18.237 0.003 . . . . . . B 172 ALA CB . 34691 1 670 . 2 . 2 59 59 ALA N N 15 118.047 0.090 . . . . . . B 172 ALA N . 34691 1 671 . 2 . 2 60 60 LYS H H 1 7.559 0.009 . . . . . . B 173 LYS H . 34691 1 672 . 2 . 2 60 60 LYS HA H 1 4.006 0.008 . . . . . . B 173 LYS HA . 34691 1 673 . 2 . 2 60 60 LYS HB2 H 1 1.945 0.006 . . . . . . B 173 LYS HB2 . 34691 1 674 . 2 . 2 60 60 LYS HB3 H 1 1.945 0.006 . . . . . . B 173 LYS HB3 . 34691 1 675 . 2 . 2 60 60 LYS HG2 H 1 1.644 0.010 . . . . . . B 173 LYS HG2 . 34691 1 676 . 2 . 2 60 60 LYS HG3 H 1 1.644 0.010 . . . . . . B 173 LYS HG3 . 34691 1 677 . 2 . 2 60 60 LYS HD2 H 1 1.836 0.004 . . . . . . B 173 LYS HD2 . 34691 1 678 . 2 . 2 60 60 LYS HD3 H 1 1.836 0.004 . . . . . . B 173 LYS HD3 . 34691 1 679 . 2 . 2 60 60 LYS HE2 H 1 3.053 0.008 . . . . . . B 173 LYS HE2 . 34691 1 680 . 2 . 2 60 60 LYS HE3 H 1 3.053 0.008 . . . . . . B 173 LYS HE3 . 34691 1 681 . 2 . 2 60 60 LYS CA C 13 58.492 0.007 . . . . . . B 173 LYS CA . 34691 1 682 . 2 . 2 60 60 LYS CB C 13 32.348 0.029 . . . . . . B 173 LYS CB . 34691 1 683 . 2 . 2 60 60 LYS CG C 13 25.315 0.075 . . . . . . B 173 LYS CG . 34691 1 684 . 2 . 2 60 60 LYS CD C 13 29.068 0.012 . . . . . . B 173 LYS CD . 34691 1 685 . 2 . 2 60 60 LYS CE C 13 42.352 0.009 . . . . . . B 173 LYS CE . 34691 1 686 . 2 . 2 60 60 LYS N N 15 119.280 0.001 . . . . . . B 173 LYS N . 34691 1 687 . 2 . 2 61 61 ALA H H 1 7.625 0.001 . . . . . . B 174 ALA H . 34691 1 688 . 2 . 2 61 61 ALA HA H 1 2.596 0.004 . . . . . . B 174 ALA HA . 34691 1 689 . 2 . 2 61 61 ALA HB1 H 1 1.192 0.004 . . . . . . B 174 ALA HB1 . 34691 1 690 . 2 . 2 61 61 ALA HB2 H 1 1.192 0.004 . . . . . . B 174 ALA HB2 . 34691 1 691 . 2 . 2 61 61 ALA HB3 H 1 1.192 0.004 . . . . . . B 174 ALA HB3 . 34691 1 692 . 2 . 2 61 61 ALA CA C 13 54.486 0.004 . . . . . . B 174 ALA CA . 34691 1 693 . 2 . 2 61 61 ALA CB C 13 18.857 0.002 . . . . . . B 174 ALA CB . 34691 1 694 . 2 . 2 61 61 ALA N N 15 121.358 0.000 . . . . . . B 174 ALA N . 34691 1 695 . 2 . 2 62 62 ILE H H 1 7.621 0.002 . . . . . . B 175 ILE H . 34691 1 696 . 2 . 2 62 62 ILE HA H 1 3.324 0.004 . . . . . . B 175 ILE HA . 34691 1 697 . 2 . 2 62 62 ILE HB H 1 1.600 0.004 . . . . . . B 175 ILE HB . 34691 1 698 . 2 . 2 62 62 ILE HG12 H 1 0.505 0.003 . . . . . . B 175 ILE HG12 . 34691 1 699 . 2 . 2 62 62 ILE HG13 H 1 1.411 0.003 . . . . . . B 175 ILE HG13 . 34691 1 700 . 2 . 2 62 62 ILE HG21 H 1 0.767 0.016 . . . . . . B 175 ILE HG21 . 34691 1 701 . 2 . 2 62 62 ILE HG22 H 1 0.767 0.016 . . . . . . B 175 ILE HG22 . 34691 1 702 . 2 . 2 62 62 ILE HG23 H 1 0.767 0.016 . . . . . . B 175 ILE HG23 . 34691 1 703 . 2 . 2 62 62 ILE HD11 H 1 -0.053 0.004 . . . . . . B 175 ILE HD11 . 34691 1 704 . 2 . 2 62 62 ILE HD12 H 1 -0.053 0.004 . . . . . . B 175 ILE HD12 . 34691 1 705 . 2 . 2 62 62 ILE HD13 H 1 -0.053 0.004 . . . . . . B 175 ILE HD13 . 34691 1 706 . 2 . 2 62 62 ILE CA C 13 66.526 0.006 . . . . . . B 175 ILE CA . 34691 1 707 . 2 . 2 62 62 ILE CB C 13 38.655 0.011 . . . . . . B 175 ILE CB . 34691 1 708 . 2 . 2 62 62 ILE CG1 C 13 29.505 0.010 . . . . . . B 175 ILE CG1 . 34691 1 709 . 2 . 2 62 62 ILE CG2 C 13 17.165 0.078 . . . . . . B 175 ILE CG2 . 34691 1 710 . 2 . 2 62 62 ILE CD1 C 13 13.151 0.002 . . . . . . B 175 ILE CD1 . 34691 1 711 . 2 . 2 62 62 ILE N N 15 117.530 0.001 . . . . . . B 175 ILE N . 34691 1 712 . 2 . 2 63 63 GLU H H 1 7.203 0.004 . . . . . . B 176 GLU H . 34691 1 713 . 2 . 2 63 63 GLU HA H 1 3.937 0.006 . . . . . . B 176 GLU HA . 34691 1 714 . 2 . 2 63 63 GLU HB2 H 1 2.157 0.004 . . . . . . B 176 GLU HB2 . 34691 1 715 . 2 . 2 63 63 GLU HB3 H 1 2.157 0.004 . . . . . . B 176 GLU HB3 . 34691 1 716 . 2 . 2 63 63 GLU HG2 H 1 2.274 0.004 . . . . . . B 176 GLU HG2 . 34691 1 717 . 2 . 2 63 63 GLU HG3 H 1 2.399 0.003 . . . . . . B 176 GLU HG3 . 34691 1 718 . 2 . 2 63 63 GLU CA C 13 59.448 0.005 . . . . . . B 176 GLU CA . 34691 1 719 . 2 . 2 63 63 GLU CB C 13 30.213 0.007 . . . . . . B 176 GLU CB . 34691 1 720 . 2 . 2 63 63 GLU CG C 13 36.332 0.011 . . . . . . B 176 GLU CG . 34691 1 721 . 2 . 2 63 63 GLU N N 15 117.050 0.001 . . . . . . B 176 GLU N . 34691 1 722 . 2 . 2 64 64 GLU H H 1 7.951 0.004 . . . . . . B 177 GLU H . 34691 1 723 . 2 . 2 64 64 GLU HA H 1 4.423 0.006 . . . . . . B 177 GLU HA . 34691 1 724 . 2 . 2 64 64 GLU HB2 H 1 1.918 0.005 . . . . . . B 177 GLU HB2 . 34691 1 725 . 2 . 2 64 64 GLU HB3 H 1 2.230 0.003 . . . . . . B 177 GLU HB3 . 34691 1 726 . 2 . 2 64 64 GLU HG2 H 1 2.339 0.003 . . . . . . B 177 GLU HG2 . 34691 1 727 . 2 . 2 64 64 GLU HG3 H 1 2.451 0.003 . . . . . . B 177 GLU HG3 . 34691 1 728 . 2 . 2 64 64 GLU CA C 13 57.902 0.014 . . . . . . B 177 GLU CA . 34691 1 729 . 2 . 2 64 64 GLU CB C 13 31.750 0.064 . . . . . . B 177 GLU CB . 34691 1 730 . 2 . 2 64 64 GLU CG C 13 36.933 0.010 . . . . . . B 177 GLU CG . 34691 1 731 . 2 . 2 64 64 GLU N N 15 114.590 0.004 . . . . . . B 177 GLU N . 34691 1 732 . 2 . 2 65 65 VAL H H 1 8.563 0.003 . . . . . . B 178 VAL H . 34691 1 733 . 2 . 2 65 65 VAL HA H 1 3.965 0.004 . . . . . . B 178 VAL HA . 34691 1 734 . 2 . 2 65 65 VAL HB H 1 2.011 0.011 . . . . . . B 178 VAL HB . 34691 1 735 . 2 . 2 65 65 VAL HG11 H 1 0.731 0.000 . . . . . . B 178 VAL HG11 . 34691 1 736 . 2 . 2 65 65 VAL HG12 H 1 0.731 0.000 . . . . . . B 178 VAL HG12 . 34691 1 737 . 2 . 2 65 65 VAL HG13 H 1 0.731 0.000 . . . . . . B 178 VAL HG13 . 34691 1 738 . 2 . 2 65 65 VAL HG21 H 1 0.791 0.000 . . . . . . B 178 VAL HG21 . 34691 1 739 . 2 . 2 65 65 VAL HG22 H 1 0.791 0.000 . . . . . . B 178 VAL HG22 . 34691 1 740 . 2 . 2 65 65 VAL HG23 H 1 0.791 0.000 . . . . . . B 178 VAL HG23 . 34691 1 741 . 2 . 2 65 65 VAL CA C 13 63.849 0.005 . . . . . . B 178 VAL CA . 34691 1 742 . 2 . 2 65 65 VAL CB C 13 32.388 0.027 . . . . . . B 178 VAL CB . 34691 1 743 . 2 . 2 65 65 VAL CG1 C 13 23.374 0.003 . . . . . . B 178 VAL CG1 . 34691 1 744 . 2 . 2 65 65 VAL CG2 C 13 23.983 0.002 . . . . . . B 178 VAL CG2 . 34691 1 745 . 2 . 2 65 65 VAL N N 15 118.445 0.000 . . . . . . B 178 VAL N . 34691 1 746 . 2 . 2 66 66 HIS H H 1 7.520 0.003 . . . . . . B 179 HIS H . 34691 1 747 . 2 . 2 66 66 HIS HA H 1 4.138 0.006 . . . . . . B 179 HIS HA . 34691 1 748 . 2 . 2 66 66 HIS HB2 H 1 3.234 0.008 . . . . . . B 179 HIS HB2 . 34691 1 749 . 2 . 2 66 66 HIS HB3 H 1 3.310 0.003 . . . . . . B 179 HIS HB3 . 34691 1 750 . 2 . 2 66 66 HIS HD2 H 1 6.932 0.003 . . . . . . B 179 HIS HD2 . 34691 1 751 . 2 . 2 66 66 HIS HE1 H 1 7.715 0.008 . . . . . . B 179 HIS HE1 . 34691 1 752 . 2 . 2 66 66 HIS CA C 13 60.556 0.011 . . . . . . B 179 HIS CA . 34691 1 753 . 2 . 2 66 66 HIS CB C 13 31.619 0.005 . . . . . . B 179 HIS CB . 34691 1 754 . 2 . 2 66 66 HIS CD2 C 13 118.028 0.005 . . . . . . B 179 HIS CD2 . 34691 1 755 . 2 . 2 66 66 HIS CE1 C 13 138.588 0.010 . . . . . . B 179 HIS CE1 . 34691 1 756 . 2 . 2 66 66 HIS N N 15 118.504 0.001 . . . . . . B 179 HIS N . 34691 1 757 . 2 . 2 67 67 GLY H H 1 8.822 0.004 . . . . . . B 180 GLY H . 34691 1 758 . 2 . 2 67 67 GLY HA2 H 1 3.295 0.005 . . . . . . B 180 GLY HA2 . 34691 1 759 . 2 . 2 67 67 GLY HA3 H 1 4.142 0.004 . . . . . . B 180 GLY HA3 . 34691 1 760 . 2 . 2 67 67 GLY CA C 13 45.237 0.009 . . . . . . B 180 GLY CA . 34691 1 761 . 2 . 2 67 67 GLY N N 15 117.129 0.000 . . . . . . B 180 GLY N . 34691 1 762 . 2 . 2 68 68 LYS H H 1 8.339 0.002 . . . . . . B 181 LYS H . 34691 1 763 . 2 . 2 68 68 LYS HA H 1 4.251 0.003 . . . . . . B 181 LYS HA . 34691 1 764 . 2 . 2 68 68 LYS HB2 H 1 1.853 0.004 . . . . . . B 181 LYS HB2 . 34691 1 765 . 2 . 2 68 68 LYS HB3 H 1 2.057 0.004 . . . . . . B 181 LYS HB3 . 34691 1 766 . 2 . 2 68 68 LYS HG2 H 1 1.406 0.005 . . . . . . B 181 LYS HG2 . 34691 1 767 . 2 . 2 68 68 LYS HG3 H 1 1.639 0.007 . . . . . . B 181 LYS HG3 . 34691 1 768 . 2 . 2 68 68 LYS HD2 H 1 1.708 0.001 . . . . . . B 181 LYS HD2 . 34691 1 769 . 2 . 2 68 68 LYS HD3 H 1 1.708 0.001 . . . . . . B 181 LYS HD3 . 34691 1 770 . 2 . 2 68 68 LYS HE2 H 1 3.111 0.004 . . . . . . B 181 LYS HE2 . 34691 1 771 . 2 . 2 68 68 LYS HE3 H 1 3.111 0.004 . . . . . . B 181 LYS HE3 . 34691 1 772 . 2 . 2 68 68 LYS CA C 13 56.118 0.000 . . . . . . B 181 LYS CA . 34691 1 773 . 2 . 2 68 68 LYS CB C 13 33.028 0.030 . . . . . . B 181 LYS CB . 34691 1 774 . 2 . 2 68 68 LYS CG C 13 25.604 0.017 . . . . . . B 181 LYS CG . 34691 1 775 . 2 . 2 68 68 LYS CD C 13 29.041 0.007 . . . . . . B 181 LYS CD . 34691 1 776 . 2 . 2 68 68 LYS CE C 13 42.566 0.009 . . . . . . B 181 LYS CE . 34691 1 777 . 2 . 2 68 68 LYS N N 15 123.029 0.011 . . . . . . B 181 LYS N . 34691 1 778 . 2 . 2 69 69 SER H H 1 8.325 0.003 . . . . . . B 182 SER H . 34691 1 779 . 2 . 2 69 69 SER HA H 1 4.697 0.003 . . . . . . B 182 SER HA . 34691 1 780 . 2 . 2 69 69 SER HB2 H 1 3.534 0.000 . . . . . . B 182 SER HB2 . 34691 1 781 . 2 . 2 69 69 SER HB3 H 1 3.613 0.003 . . . . . . B 182 SER HB3 . 34691 1 782 . 2 . 2 69 69 SER CB C 13 64.560 0.007 . . . . . . B 182 SER CB . 34691 1 783 . 2 . 2 69 69 SER N N 15 116.826 0.000 . . . . . . B 182 SER N . 34691 1 784 . 2 . 2 70 70 PHE H H 1 9.007 0.003 . . . . . . B 183 PHE H . 34691 1 785 . 2 . 2 70 70 PHE HA H 1 4.469 0.007 . . . . . . B 183 PHE HA . 34691 1 786 . 2 . 2 70 70 PHE HB2 H 1 2.818 0.006 . . . . . . B 183 PHE HB2 . 34691 1 787 . 2 . 2 70 70 PHE HB3 H 1 2.937 0.005 . . . . . . B 183 PHE HB3 . 34691 1 788 . 2 . 2 70 70 PHE HD1 H 1 7.365 0.005 . . . . . . B 183 PHE HD1 . 34691 1 789 . 2 . 2 70 70 PHE HD2 H 1 7.365 0.005 . . . . . . B 183 PHE HD2 . 34691 1 790 . 2 . 2 70 70 PHE HE1 H 1 7.029 0.006 . . . . . . B 183 PHE HE1 . 34691 1 791 . 2 . 2 70 70 PHE HE2 H 1 7.029 0.006 . . . . . . B 183 PHE HE2 . 34691 1 792 . 2 . 2 70 70 PHE HZ H 1 6.652 0.004 . . . . . . B 183 PHE HZ . 34691 1 793 . 2 . 2 70 70 PHE CA C 13 58.568 0.010 . . . . . . B 183 PHE CA . 34691 1 794 . 2 . 2 70 70 PHE CB C 13 42.483 0.022 . . . . . . B 183 PHE CB . 34691 1 795 . 2 . 2 70 70 PHE CD1 C 13 132.226 0.007 . . . . . . B 183 PHE CD1 . 34691 1 796 . 2 . 2 70 70 PHE CE1 C 13 130.347 0.000 . . . . . . B 183 PHE CE1 . 34691 1 797 . 2 . 2 70 70 PHE CZ C 13 129.192 0.039 . . . . . . B 183 PHE CZ . 34691 1 798 . 2 . 2 70 70 PHE N N 15 126.292 0.000 . . . . . . B 183 PHE N . 34691 1 799 . 2 . 2 71 71 ALA H H 1 8.774 0.001 . . . . . . B 184 ALA H . 34691 1 800 . 2 . 2 71 71 ALA HA H 1 3.735 0.004 . . . . . . B 184 ALA HA . 34691 1 801 . 2 . 2 71 71 ALA HB1 H 1 1.258 0.003 . . . . . . B 184 ALA HB1 . 34691 1 802 . 2 . 2 71 71 ALA HB2 H 1 1.258 0.003 . . . . . . B 184 ALA HB2 . 34691 1 803 . 2 . 2 71 71 ALA HB3 H 1 1.258 0.003 . . . . . . B 184 ALA HB3 . 34691 1 804 . 2 . 2 71 71 ALA CA C 13 53.477 0.008 . . . . . . B 184 ALA CA . 34691 1 805 . 2 . 2 71 71 ALA CB C 13 16.509 0.008 . . . . . . B 184 ALA CB . 34691 1 806 . 2 . 2 71 71 ALA N N 15 133.026 0.001 . . . . . . B 184 ALA N . 34691 1 807 . 2 . 2 72 72 ASN H H 1 8.426 0.002 . . . . . . B 185 ASN H . 34691 1 808 . 2 . 2 72 72 ASN HA H 1 4.077 0.005 . . . . . . B 185 ASN HA . 34691 1 809 . 2 . 2 72 72 ASN HB2 H 1 2.935 0.004 . . . . . . B 185 ASN HB2 . 34691 1 810 . 2 . 2 72 72 ASN HB3 H 1 3.047 0.005 . . . . . . B 185 ASN HB3 . 34691 1 811 . 2 . 2 72 72 ASN HD21 H 1 6.772 0.000 . . . . . . B 185 ASN HD21 . 34691 1 812 . 2 . 2 72 72 ASN HD22 H 1 7.406 0.000 . . . . . . B 185 ASN HD22 . 34691 1 813 . 2 . 2 72 72 ASN CA C 13 54.873 0.005 . . . . . . B 185 ASN CA . 34691 1 814 . 2 . 2 72 72 ASN CB C 13 38.182 0.008 . . . . . . B 185 ASN CB . 34691 1 815 . 2 . 2 72 72 ASN N N 15 107.973 0.002 . . . . . . B 185 ASN N . 34691 1 816 . 2 . 2 72 72 ASN ND2 N 15 113.117 0.012 . . . . . . B 185 ASN ND2 . 34691 1 817 . 2 . 2 73 73 GLN H H 1 7.700 0.003 . . . . . . B 186 GLN H . 34691 1 818 . 2 . 2 73 73 GLN HA H 1 4.905 0.003 . . . . . . B 186 GLN HA . 34691 1 819 . 2 . 2 73 73 GLN HB2 H 1 1.891 0.001 . . . . . . B 186 GLN HB2 . 34691 1 820 . 2 . 2 73 73 GLN HB3 H 1 1.923 0.000 . . . . . . B 186 GLN HB3 . 34691 1 821 . 2 . 2 73 73 GLN HG2 H 1 2.282 0.001 . . . . . . B 186 GLN HG2 . 34691 1 822 . 2 . 2 73 73 GLN HG3 H 1 2.333 0.001 . . . . . . B 186 GLN HG3 . 34691 1 823 . 2 . 2 73 73 GLN HE21 H 1 6.770 0.003 . . . . . . B 186 GLN HE21 . 34691 1 824 . 2 . 2 73 73 GLN HE22 H 1 7.550 0.003 . . . . . . B 186 GLN HE22 . 34691 1 825 . 2 . 2 73 73 GLN CA C 13 52.969 0.000 . . . . . . B 186 GLN CA . 34691 1 826 . 2 . 2 73 73 GLN CB C 13 31.189 0.006 . . . . . . B 186 GLN CB . 34691 1 827 . 2 . 2 73 73 GLN CG C 13 33.603 0.029 . . . . . . B 186 GLN CG . 34691 1 828 . 2 . 2 73 73 GLN N N 15 118.308 0.000 . . . . . . B 186 GLN N . 34691 1 829 . 2 . 2 73 73 GLN NE2 N 15 111.934 0.002 . . . . . . B 186 GLN NE2 . 34691 1 830 . 2 . 2 74 74 PRO HA H 1 4.190 0.003 . . . . . . B 187 PRO HA . 34691 1 831 . 2 . 2 74 74 PRO HB2 H 1 1.736 0.006 . . . . . . B 187 PRO HB2 . 34691 1 832 . 2 . 2 74 74 PRO HB3 H 1 1.937 0.004 . . . . . . B 187 PRO HB3 . 34691 1 833 . 2 . 2 74 74 PRO HG2 H 1 1.874 0.009 . . . . . . B 187 PRO HG2 . 34691 1 834 . 2 . 2 74 74 PRO HG3 H 1 2.119 0.003 . . . . . . B 187 PRO HG3 . 34691 1 835 . 2 . 2 74 74 PRO HD2 H 1 3.620 0.002 . . . . . . B 187 PRO HD2 . 34691 1 836 . 2 . 2 74 74 PRO HD3 H 1 3.686 0.001 . . . . . . B 187 PRO HD3 . 34691 1 837 . 2 . 2 74 74 PRO CA C 13 62.209 0.021 . . . . . . B 187 PRO CA . 34691 1 838 . 2 . 2 74 74 PRO CB C 13 31.567 0.016 . . . . . . B 187 PRO CB . 34691 1 839 . 2 . 2 74 74 PRO CG C 13 27.560 0.028 . . . . . . B 187 PRO CG . 34691 1 840 . 2 . 2 74 74 PRO CD C 13 50.531 0.045 . . . . . . B 187 PRO CD . 34691 1 841 . 2 . 2 75 75 LEU H H 1 8.583 0.001 . . . . . . B 188 LEU H . 34691 1 842 . 2 . 2 75 75 LEU HA H 1 4.439 0.005 . . . . . . B 188 LEU HA . 34691 1 843 . 2 . 2 75 75 LEU HB2 H 1 0.854 0.003 . . . . . . B 188 LEU HB2 . 34691 1 844 . 2 . 2 75 75 LEU HB3 H 1 1.863 0.002 . . . . . . B 188 LEU HB3 . 34691 1 845 . 2 . 2 75 75 LEU HG H 1 1.784 0.006 . . . . . . B 188 LEU HG . 34691 1 846 . 2 . 2 75 75 LEU HD11 H 1 0.210 0.003 . . . . . . B 188 LEU HD11 . 34691 1 847 . 2 . 2 75 75 LEU HD12 H 1 0.210 0.003 . . . . . . B 188 LEU HD12 . 34691 1 848 . 2 . 2 75 75 LEU HD13 H 1 0.210 0.003 . . . . . . B 188 LEU HD13 . 34691 1 849 . 2 . 2 75 75 LEU HD21 H 1 0.555 0.007 . . . . . . B 188 LEU HD21 . 34691 1 850 . 2 . 2 75 75 LEU HD22 H 1 0.555 0.007 . . . . . . B 188 LEU HD22 . 34691 1 851 . 2 . 2 75 75 LEU HD23 H 1 0.555 0.007 . . . . . . B 188 LEU HD23 . 34691 1 852 . 2 . 2 75 75 LEU CA C 13 54.696 0.011 . . . . . . B 188 LEU CA . 34691 1 853 . 2 . 2 75 75 LEU CB C 13 43.661 0.004 . . . . . . B 188 LEU CB . 34691 1 854 . 2 . 2 75 75 LEU CG C 13 26.685 0.010 . . . . . . B 188 LEU CG . 34691 1 855 . 2 . 2 75 75 LEU CD1 C 13 23.506 0.000 . . . . . . B 188 LEU CD1 . 34691 1 856 . 2 . 2 75 75 LEU CD2 C 13 25.428 0.001 . . . . . . B 188 LEU CD2 . 34691 1 857 . 2 . 2 75 75 LEU N N 15 123.171 0.002 . . . . . . B 188 LEU N . 34691 1 858 . 2 . 2 76 76 GLU H H 1 9.496 0.003 . . . . . . B 189 GLU H . 34691 1 859 . 2 . 2 76 76 GLU HA H 1 4.944 0.003 . . . . . . B 189 GLU HA . 34691 1 860 . 2 . 2 76 76 GLU HB2 H 1 1.950 0.001 . . . . . . B 189 GLU HB2 . 34691 1 861 . 2 . 2 76 76 GLU HB3 H 1 1.994 0.001 . . . . . . B 189 GLU HB3 . 34691 1 862 . 2 . 2 76 76 GLU HG2 H 1 2.170 0.000 . . . . . . B 189 GLU HG2 . 34691 1 863 . 2 . 2 76 76 GLU HG3 H 1 2.250 0.003 . . . . . . B 189 GLU HG3 . 34691 1 864 . 2 . 2 76 76 GLU CA C 13 54.811 0.000 . . . . . . B 189 GLU CA . 34691 1 865 . 2 . 2 76 76 GLU CB C 13 31.232 0.036 . . . . . . B 189 GLU CB . 34691 1 866 . 2 . 2 76 76 GLU CG C 13 36.598 0.011 . . . . . . B 189 GLU CG . 34691 1 867 . 2 . 2 76 76 GLU N N 15 125.186 0.007 . . . . . . B 189 GLU N . 34691 1 868 . 2 . 2 77 77 VAL H H 1 10.778 0.003 . . . . . . B 190 VAL H . 34691 1 869 . 2 . 2 77 77 VAL HA H 1 4.657 0.007 . . . . . . B 190 VAL HA . 34691 1 870 . 2 . 2 77 77 VAL HB H 1 2.227 0.004 . . . . . . B 190 VAL HB . 34691 1 871 . 2 . 2 77 77 VAL HG11 H 1 0.864 0.006 . . . . . . B 190 VAL HG11 . 34691 1 872 . 2 . 2 77 77 VAL HG12 H 1 0.864 0.006 . . . . . . B 190 VAL HG12 . 34691 1 873 . 2 . 2 77 77 VAL HG13 H 1 0.864 0.006 . . . . . . B 190 VAL HG13 . 34691 1 874 . 2 . 2 77 77 VAL HG21 H 1 0.983 0.002 . . . . . . B 190 VAL HG21 . 34691 1 875 . 2 . 2 77 77 VAL HG22 H 1 0.983 0.002 . . . . . . B 190 VAL HG22 . 34691 1 876 . 2 . 2 77 77 VAL HG23 H 1 0.983 0.002 . . . . . . B 190 VAL HG23 . 34691 1 877 . 2 . 2 77 77 VAL CB C 13 33.834 0.007 . . . . . . B 190 VAL CB . 34691 1 878 . 2 . 2 77 77 VAL CG1 C 13 24.338 0.017 . . . . . . B 190 VAL CG1 . 34691 1 879 . 2 . 2 77 77 VAL CG2 C 13 21.157 0.002 . . . . . . B 190 VAL CG2 . 34691 1 880 . 2 . 2 77 77 VAL N N 15 129.843 0.001 . . . . . . B 190 VAL N . 34691 1 881 . 2 . 2 78 78 VAL H H 1 8.251 0.007 . . . . . . B 191 VAL H . 34691 1 882 . 2 . 2 78 78 VAL HA H 1 4.688 0.013 . . . . . . B 191 VAL HA . 34691 1 883 . 2 . 2 78 78 VAL HB H 1 2.430 0.003 . . . . . . B 191 VAL HB . 34691 1 884 . 2 . 2 78 78 VAL HG11 H 1 1.055 0.005 . . . . . . B 191 VAL HG11 . 34691 1 885 . 2 . 2 78 78 VAL HG12 H 1 1.055 0.005 . . . . . . B 191 VAL HG12 . 34691 1 886 . 2 . 2 78 78 VAL HG13 H 1 1.055 0.005 . . . . . . B 191 VAL HG13 . 34691 1 887 . 2 . 2 78 78 VAL HG21 H 1 0.944 0.004 . . . . . . B 191 VAL HG21 . 34691 1 888 . 2 . 2 78 78 VAL HG22 H 1 0.944 0.004 . . . . . . B 191 VAL HG22 . 34691 1 889 . 2 . 2 78 78 VAL HG23 H 1 0.944 0.004 . . . . . . B 191 VAL HG23 . 34691 1 890 . 2 . 2 78 78 VAL CA C 13 57.998 0.000 . . . . . . B 191 VAL CA . 34691 1 891 . 2 . 2 78 78 VAL CB C 13 36.735 0.001 . . . . . . B 191 VAL CB . 34691 1 892 . 2 . 2 78 78 VAL CG1 C 13 19.821 0.001 . . . . . . B 191 VAL CG1 . 34691 1 893 . 2 . 2 78 78 VAL CG2 C 13 21.781 0.004 . . . . . . B 191 VAL CG2 . 34691 1 894 . 2 . 2 78 78 VAL N N 15 116.759 0.002 . . . . . . B 191 VAL N . 34691 1 895 . 2 . 2 79 79 TYR H H 1 8.084 0.000 . . . . . . B 192 TYR H . 34691 1 896 . 2 . 2 79 79 TYR HA H 1 4.654 0.002 . . . . . . B 192 TYR HA . 34691 1 897 . 2 . 2 79 79 TYR HB2 H 1 2.743 0.003 . . . . . . B 192 TYR HB2 . 34691 1 898 . 2 . 2 79 79 TYR HB3 H 1 3.619 0.003 . . . . . . B 192 TYR HB3 . 34691 1 899 . 2 . 2 79 79 TYR HD1 H 1 7.109 0.004 . . . . . . B 192 TYR HD1 . 34691 1 900 . 2 . 2 79 79 TYR HD2 H 1 7.109 0.004 . . . . . . B 192 TYR HD2 . 34691 1 901 . 2 . 2 79 79 TYR HE1 H 1 6.608 0.004 . . . . . . B 192 TYR HE1 . 34691 1 902 . 2 . 2 79 79 TYR HE2 H 1 6.608 0.004 . . . . . . B 192 TYR HE2 . 34691 1 903 . 2 . 2 79 79 TYR CB C 13 39.405 0.011 . . . . . . B 192 TYR CB . 34691 1 904 . 2 . 2 79 79 TYR CD1 C 13 134.073 0.000 . . . . . . B 192 TYR CD1 . 34691 1 905 . 2 . 2 79 79 TYR CE1 C 13 118.097 0.000 . . . . . . B 192 TYR CE1 . 34691 1 906 . 2 . 2 79 79 TYR N N 15 119.786 0.001 . . . . . . B 192 TYR N . 34691 1 907 . 2 . 2 80 80 SER H H 1 9.064 0.007 . . . . . . B 193 SER H . 34691 1 908 . 2 . 2 80 80 SER HB2 H 1 3.939 0.013 . . . . . . B 193 SER HB2 . 34691 1 909 . 2 . 2 80 80 SER HB3 H 1 3.939 0.013 . . . . . . B 193 SER HB3 . 34691 1 910 . 2 . 2 80 80 SER CB C 13 66.100 0.045 . . . . . . B 193 SER CB . 34691 1 911 . 2 . 2 80 80 SER N N 15 116.990 0.000 . . . . . . B 193 SER N . 34691 1 912 . 2 . 2 81 81 LYS H H 1 9.196 0.026 . . . . . . B 194 LYS H . 34691 1 913 . 2 . 2 81 81 LYS HA H 1 4.558 0.011 . . . . . . B 194 LYS HA . 34691 1 914 . 2 . 2 81 81 LYS HB2 H 1 1.631 0.003 . . . . . . B 194 LYS HB2 . 34691 1 915 . 2 . 2 81 81 LYS HB3 H 1 1.817 0.007 . . . . . . B 194 LYS HB3 . 34691 1 916 . 2 . 2 81 81 LYS HG2 H 1 1.355 0.008 . . . . . . B 194 LYS HG2 . 34691 1 917 . 2 . 2 81 81 LYS HG3 H 1 1.355 0.008 . . . . . . B 194 LYS HG3 . 34691 1 918 . 2 . 2 81 81 LYS HD2 H 1 1.438 0.012 . . . . . . B 194 LYS HD2 . 34691 1 919 . 2 . 2 81 81 LYS HD3 H 1 1.511 0.006 . . . . . . B 194 LYS HD3 . 34691 1 920 . 2 . 2 81 81 LYS HE2 H 1 2.727 0.014 . . . . . . B 194 LYS HE2 . 34691 1 921 . 2 . 2 81 81 LYS HE3 H 1 2.727 0.014 . . . . . . B 194 LYS HE3 . 34691 1 922 . 2 . 2 81 81 LYS CA C 13 56.727 0.066 . . . . . . B 194 LYS CA . 34691 1 923 . 2 . 2 81 81 LYS CB C 13 33.780 0.052 . . . . . . B 194 LYS CB . 34691 1 924 . 2 . 2 81 81 LYS CG C 13 25.520 0.071 . . . . . . B 194 LYS CG . 34691 1 925 . 2 . 2 81 81 LYS CD C 13 29.387 0.012 . . . . . . B 194 LYS CD . 34691 1 926 . 2 . 2 81 81 LYS CE C 13 42.088 0.040 . . . . . . B 194 LYS CE . 34691 1 927 . 2 . 2 81 81 LYS N N 15 122.706 0.091 . . . . . . B 194 LYS N . 34691 1 928 . 2 . 2 82 82 LEU H H 1 8.268 0.006 . . . . . . B 195 LEU H . 34691 1 929 . 2 . 2 82 82 LEU HA H 1 4.526 0.005 . . . . . . B 195 LEU HA . 34691 1 930 . 2 . 2 82 82 LEU HB2 H 1 1.426 0.002 . . . . . . B 195 LEU HB2 . 34691 1 931 . 2 . 2 82 82 LEU HB3 H 1 1.464 0.000 . . . . . . B 195 LEU HB3 . 34691 1 932 . 2 . 2 82 82 LEU HG H 1 1.445 0.001 . . . . . . B 195 LEU HG . 34691 1 933 . 2 . 2 82 82 LEU HD11 H 1 0.883 0.005 . . . . . . B 195 LEU HD11 . 34691 1 934 . 2 . 2 82 82 LEU HD12 H 1 0.883 0.005 . . . . . . B 195 LEU HD12 . 34691 1 935 . 2 . 2 82 82 LEU HD13 H 1 0.883 0.005 . . . . . . B 195 LEU HD13 . 34691 1 936 . 2 . 2 82 82 LEU HD21 H 1 0.781 0.003 . . . . . . B 195 LEU HD21 . 34691 1 937 . 2 . 2 82 82 LEU HD22 H 1 0.781 0.003 . . . . . . B 195 LEU HD22 . 34691 1 938 . 2 . 2 82 82 LEU HD23 H 1 0.781 0.003 . . . . . . B 195 LEU HD23 . 34691 1 939 . 2 . 2 82 82 LEU CA C 13 53.424 0.018 . . . . . . B 195 LEU CA . 34691 1 940 . 2 . 2 82 82 LEU CB C 13 41.448 0.006 . . . . . . B 195 LEU CB . 34691 1 941 . 2 . 2 82 82 LEU CG C 13 27.359 0.030 . . . . . . B 195 LEU CG . 34691 1 942 . 2 . 2 82 82 LEU CD1 C 13 23.185 0.014 . . . . . . B 195 LEU CD1 . 34691 1 943 . 2 . 2 82 82 LEU CD2 C 13 25.572 0.008 . . . . . . B 195 LEU CD2 . 34691 1 944 . 2 . 2 82 82 LEU N N 15 124.090 0.005 . . . . . . B 195 LEU N . 34691 1 945 . 2 . 2 83 83 PRO HA H 1 4.297 0.007 . . . . . . B 196 PRO HA . 34691 1 946 . 2 . 2 83 83 PRO HB2 H 1 1.668 0.012 . . . . . . B 196 PRO HB2 . 34691 1 947 . 2 . 2 83 83 PRO HB3 H 1 1.668 0.012 . . . . . . B 196 PRO HB3 . 34691 1 948 . 2 . 2 83 83 PRO HG2 H 1 1.780 0.022 . . . . . . B 196 PRO HG2 . 34691 1 949 . 2 . 2 83 83 PRO HG3 H 1 1.780 0.022 . . . . . . B 196 PRO HG3 . 34691 1 950 . 2 . 2 83 83 PRO HD2 H 1 3.479 0.010 . . . . . . B 196 PRO HD2 . 34691 1 951 . 2 . 2 83 83 PRO HD3 H 1 3.723 0.009 . . . . . . B 196 PRO HD3 . 34691 1 952 . 2 . 2 83 83 PRO CA C 13 63.071 0.008 . . . . . . B 196 PRO CA . 34691 1 953 . 2 . 2 83 83 PRO CB C 13 31.878 0.012 . . . . . . B 196 PRO CB . 34691 1 954 . 2 . 2 83 83 PRO CG C 13 27.300 0.022 . . . . . . B 196 PRO CG . 34691 1 955 . 2 . 2 83 83 PRO CD C 13 50.445 0.004 . . . . . . B 196 PRO CD . 34691 1 956 . 2 . 2 84 84 ALA H H 1 8.269 0.007 . . . . . . B 197 ALA H . 34691 1 957 . 2 . 2 84 84 ALA HA H 1 4.177 0.003 . . . . . . B 197 ALA HA . 34691 1 958 . 2 . 2 84 84 ALA HB1 H 1 1.306 0.008 . . . . . . B 197 ALA HB1 . 34691 1 959 . 2 . 2 84 84 ALA HB2 H 1 1.306 0.008 . . . . . . B 197 ALA HB2 . 34691 1 960 . 2 . 2 84 84 ALA HB3 H 1 1.306 0.008 . . . . . . B 197 ALA HB3 . 34691 1 961 . 2 . 2 84 84 ALA CA C 13 52.564 0.005 . . . . . . B 197 ALA CA . 34691 1 962 . 2 . 2 84 84 ALA CB C 13 19.425 0.003 . . . . . . B 197 ALA CB . 34691 1 963 . 2 . 2 84 84 ALA N N 15 124.626 0.027 . . . . . . B 197 ALA N . 34691 1 964 . 2 . 2 85 85 LYS H H 1 8.096 0.006 . . . . . . B 198 LYS H . 34691 1 965 . 2 . 2 85 85 LYS HA H 1 4.135 0.003 . . . . . . B 198 LYS HA . 34691 1 966 . 2 . 2 85 85 LYS HB2 H 1 1.617 0.005 . . . . . . B 198 LYS HB2 . 34691 1 967 . 2 . 2 85 85 LYS HB3 H 1 1.617 0.005 . . . . . . B 198 LYS HB3 . 34691 1 968 . 2 . 2 85 85 LYS CA C 13 56.391 0.007 . . . . . . B 198 LYS CA . 34691 1 969 . 2 . 2 85 85 LYS CB C 13 32.983 0.006 . . . . . . B 198 LYS CB . 34691 1 970 . 2 . 2 85 85 LYS N N 15 120.192 0.000 . . . . . . B 198 LYS N . 34691 1 stop_ save_