data_34333 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34333 _Entry.Title ; Solution structure of the water-soluble LU-domain of human Lypd6 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-11-29 _Entry.Accession_date 2018-11-29 _Entry.Last_release_date 2018-12-10 _Entry.Original_release_date 2018-12-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.32 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34333 stop_ 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. Tsarev A. V. . . 34333 2 D. Kulbatskii D. S. . . 34333 3 A. Paramonov A. S. . . 34333 4 E. Lyukmanova E. N. . . 34333 5 Z. Shenkarev Z. O. . . 34333 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Ly6/uPAR . 34333 Lypd6 . 34333 NEUROPEPTIDE . 34333 'SIGNALING PROTEIN' . 34333 'nicotinic acetylcholine receptor' . 34333 'three-finger proteins' . 34333 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34333 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 354 34333 '15N chemical shifts' 97 34333 '1H chemical shifts' 603 34333 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-12-13 . original BMRB . 34333 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6IB6 . 34333 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34333 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Human Neuromodulator Lypd6 Inhibits A7 type Nicotinic Acetylcholine Receptors and Suppresses the Long-Term Potentiation ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'to be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 D. Kulbatskii D. S. . . 34333 1 2 A. Tsarev A. V. . . 34333 1 3 A. Paramonov A. S. . . 34333 1 4 E. Loktyushov E. V. . . 34333 1 5 D. Dolgikh D. A. . . 34333 1 6 M. Kirpichnikov M. P. . . 34333 1 7 E. Lyukmanova E. N. . . 34333 1 8 Z. Shenkarev Z. O. . . 34333 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34333 _Assembly.ID 1 _Assembly.Name 'Ly6/PLAUR domain-containing protein 6' _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 entity_1 1 $entity_1 A A yes . . . . . . 34333 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34333 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ly6/PLAUR domain-containing protein 6' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MFKCFTCEKAADNYECNRWA PDIYCPRETRYCYTQHTMEV TGNSISVTKRCVPLEECLST GCRDSEHEGHKVCTSCCEGN ICNLPLPRNETDATFA ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10941.329 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'N-terminal Met was added due to recombinant production' _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 1 100 MET . 34333 1 2 101 PHE . 34333 1 3 102 LYS . 34333 1 4 103 CYS . 34333 1 5 104 PHE . 34333 1 6 105 THR . 34333 1 7 106 CYS . 34333 1 8 107 GLU . 34333 1 9 108 LYS . 34333 1 10 109 ALA . 34333 1 11 110 ALA . 34333 1 12 111 ASP . 34333 1 13 112 ASN . 34333 1 14 113 TYR . 34333 1 15 114 GLU . 34333 1 16 115 CYS . 34333 1 17 116 ASN . 34333 1 18 117 ARG . 34333 1 19 118 TRP . 34333 1 20 119 ALA . 34333 1 21 120 PRO . 34333 1 22 121 ASP . 34333 1 23 122 ILE . 34333 1 24 123 TYR . 34333 1 25 124 CYS . 34333 1 26 125 PRO . 34333 1 27 126 ARG . 34333 1 28 127 GLU . 34333 1 29 128 THR . 34333 1 30 129 ARG . 34333 1 31 130 TYR . 34333 1 32 131 CYS . 34333 1 33 132 TYR . 34333 1 34 133 THR . 34333 1 35 134 GLN . 34333 1 36 135 HIS . 34333 1 37 136 THR . 34333 1 38 137 MET . 34333 1 39 138 GLU . 34333 1 40 139 VAL . 34333 1 41 140 THR . 34333 1 42 141 GLY . 34333 1 43 142 ASN . 34333 1 44 143 SER . 34333 1 45 144 ILE . 34333 1 46 145 SER . 34333 1 47 146 VAL . 34333 1 48 147 THR . 34333 1 49 148 LYS . 34333 1 50 149 ARG . 34333 1 51 150 CYS . 34333 1 52 151 VAL . 34333 1 53 152 PRO . 34333 1 54 153 LEU . 34333 1 55 154 GLU . 34333 1 56 155 GLU . 34333 1 57 156 CYS . 34333 1 58 157 LEU . 34333 1 59 158 SER . 34333 1 60 159 THR . 34333 1 61 160 GLY . 34333 1 62 161 CYS . 34333 1 63 162 ARG . 34333 1 64 163 ASP . 34333 1 65 164 SER . 34333 1 66 165 GLU . 34333 1 67 166 HIS . 34333 1 68 167 GLU . 34333 1 69 168 GLY . 34333 1 70 169 HIS . 34333 1 71 170 LYS . 34333 1 72 171 VAL . 34333 1 73 172 CYS . 34333 1 74 173 THR . 34333 1 75 174 SER . 34333 1 76 175 CYS . 34333 1 77 176 CYS . 34333 1 78 177 GLU . 34333 1 79 178 GLY . 34333 1 80 179 ASN . 34333 1 81 180 ILE . 34333 1 82 181 CYS . 34333 1 83 182 ASN . 34333 1 84 183 LEU . 34333 1 85 184 PRO . 34333 1 86 185 LEU . 34333 1 87 186 PRO . 34333 1 88 187 ARG . 34333 1 89 188 ASN . 34333 1 90 189 GLU . 34333 1 91 190 THR . 34333 1 92 191 ASP . 34333 1 93 192 ALA . 34333 1 94 193 THR . 34333 1 95 194 PHE . 34333 1 96 195 ALA . 34333 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34333 1 . PHE 2 2 34333 1 . LYS 3 3 34333 1 . CYS 4 4 34333 1 . PHE 5 5 34333 1 . THR 6 6 34333 1 . CYS 7 7 34333 1 . GLU 8 8 34333 1 . LYS 9 9 34333 1 . ALA 10 10 34333 1 . ALA 11 11 34333 1 . ASP 12 12 34333 1 . ASN 13 13 34333 1 . TYR 14 14 34333 1 . GLU 15 15 34333 1 . CYS 16 16 34333 1 . ASN 17 17 34333 1 . ARG 18 18 34333 1 . TRP 19 19 34333 1 . ALA 20 20 34333 1 . PRO 21 21 34333 1 . ASP 22 22 34333 1 . ILE 23 23 34333 1 . TYR 24 24 34333 1 . CYS 25 25 34333 1 . PRO 26 26 34333 1 . ARG 27 27 34333 1 . GLU 28 28 34333 1 . THR 29 29 34333 1 . ARG 30 30 34333 1 . TYR 31 31 34333 1 . CYS 32 32 34333 1 . TYR 33 33 34333 1 . THR 34 34 34333 1 . GLN 35 35 34333 1 . HIS 36 36 34333 1 . THR 37 37 34333 1 . MET 38 38 34333 1 . GLU 39 39 34333 1 . VAL 40 40 34333 1 . THR 41 41 34333 1 . GLY 42 42 34333 1 . ASN 43 43 34333 1 . SER 44 44 34333 1 . ILE 45 45 34333 1 . SER 46 46 34333 1 . VAL 47 47 34333 1 . THR 48 48 34333 1 . LYS 49 49 34333 1 . ARG 50 50 34333 1 . CYS 51 51 34333 1 . VAL 52 52 34333 1 . PRO 53 53 34333 1 . LEU 54 54 34333 1 . GLU 55 55 34333 1 . GLU 56 56 34333 1 . CYS 57 57 34333 1 . LEU 58 58 34333 1 . SER 59 59 34333 1 . THR 60 60 34333 1 . GLY 61 61 34333 1 . CYS 62 62 34333 1 . ARG 63 63 34333 1 . ASP 64 64 34333 1 . SER 65 65 34333 1 . GLU 66 66 34333 1 . HIS 67 67 34333 1 . GLU 68 68 34333 1 . GLY 69 69 34333 1 . HIS 70 70 34333 1 . LYS 71 71 34333 1 . VAL 72 72 34333 1 . CYS 73 73 34333 1 . THR 74 74 34333 1 . SER 75 75 34333 1 . CYS 76 76 34333 1 . CYS 77 77 34333 1 . GLU 78 78 34333 1 . GLY 79 79 34333 1 . ASN 80 80 34333 1 . ILE 81 81 34333 1 . CYS 82 82 34333 1 . ASN 83 83 34333 1 . LEU 84 84 34333 1 . PRO 85 85 34333 1 . LEU 86 86 34333 1 . PRO 87 87 34333 1 . ARG 88 88 34333 1 . ASN 89 89 34333 1 . GLU 90 90 34333 1 . THR 91 91 34333 1 . ASP 92 92 34333 1 . ALA 93 93 34333 1 . THR 94 94 34333 1 . PHE 95 95 34333 1 . ALA 96 96 34333 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34333 _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 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . 'Ubiquitous. Highly expressed in brain and heart' . . . . . . . . 'LYPD6, UNQ3023/PRO9821' . 34333 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 34333 _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 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . 'Lypd6 coding sequence cloned into pET22b(+) between NdeI and HindIII sites' 469008 . . . . . pET22b(+) . . pET22b(+)/lypd6 . . . 34333 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34333 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.1 mM [U-99% 13C; U-99% 15N] Lypd6sh, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Lypd6sh '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.1 . . mM . . . . 34333 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34333 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.1 mM [U-99% 15N] Lypd6sh, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Lypd6sh '[U-99% 15N]' . . 1 $entity_1 . . 0.1 . . mM . . . . 34333 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 34333 _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' 20 5 mM 34333 1 pH 7.0 0.1 pH 34333 1 pressure 1 . atm 34333 1 temperature 303 0.1 K 34333 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34333 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.97 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34333 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34333 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34333 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.97 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34333 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34333 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34333 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34333 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34333 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 34333 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'with CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34333 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'with CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 34333 _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 AvanceIII . 800 . . . 34333 1 2 NMR_spectrometer_2 Bruker AvanceIII . 600 . . . 34333 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 34333 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34333 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34333 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34333 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34333 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34333 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34333 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34333 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34333 1 9 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34333 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 34333 _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 TMS 'methyl carbons' . . . . ppm 0 external indirect 0.25144953 . . . . . 34333 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 34333 1 N 15 'ammonium chloride' nitrogen . . . . ppm 0 external indirect 0.1013291 . . . . . 34333 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 34333 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 ; _Systematic_chem_shift_offset 'Spectrometer mismatch' 'all 13C' 13 2.6 0.1 ; _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' . . . 34333 1 2 '3D HNCA' . . . 34333 1 3 '3D HNCACB' . . . 34333 1 4 '3D CBCA(CO)NH' . . . 34333 1 5 '2D 1H-15N HSQC' . . . 34333 1 6 '2D 1H-13C HSQC aliphatic' . . . 34333 1 7 '3D HNCO' . . . 34333 1 8 '3D HCCH-TOCSY' . . . 34333 1 9 '2D 1H-1H TOCSY' . . . 34333 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 MET HE1 H 1 1.715 0.000 . 1 . . . . A 100 MET HE1 . 34333 1 2 . 1 1 1 1 MET HE2 H 1 1.715 0.000 . 1 . . . . A 100 MET HE2 . 34333 1 3 . 1 1 1 1 MET HE3 H 1 1.715 0.000 . 1 . . . . A 100 MET HE3 . 34333 1 4 . 1 1 1 1 MET CE C 13 13.777 0.000 . 1 . . . . A 100 MET CE . 34333 1 5 . 1 1 2 2 PHE HA H 1 5.147 0.000 . 1 . . . . A 101 PHE HA . 34333 1 6 . 1 1 2 2 PHE HB2 H 1 3.166 0.000 . 2 . . . . A 101 PHE HB2 . 34333 1 7 . 1 1 2 2 PHE HB3 H 1 2.866 0.000 . 2 . . . . A 101 PHE HB3 . 34333 1 8 . 1 1 2 2 PHE HD1 H 1 7.036 0.000 . 1 . . . . A 101 PHE HD1 . 34333 1 9 . 1 1 2 2 PHE HD2 H 1 7.036 0.000 . 1 . . . . A 101 PHE HD2 . 34333 1 10 . 1 1 2 2 PHE HE1 H 1 7.235 0.000 . 1 . . . . A 101 PHE HE1 . 34333 1 11 . 1 1 2 2 PHE HE2 H 1 7.235 0.000 . 1 . . . . A 101 PHE HE2 . 34333 1 12 . 1 1 2 2 PHE HZ H 1 6.918 0.000 . 1 . . . . A 101 PHE HZ . 34333 1 13 . 1 1 2 2 PHE C C 13 171.664 0.000 . 1 . . . . A 101 PHE C . 34333 1 14 . 1 1 2 2 PHE CA C 13 53.410 0.000 . 1 . . . . A 101 PHE CA . 34333 1 15 . 1 1 2 2 PHE CB C 13 38.516 0.000 . 1 . . . . A 101 PHE CB . 34333 1 16 . 1 1 2 2 PHE CD1 C 13 131.035 0.000 . 1 . . . . A 101 PHE CD1 . 34333 1 17 . 1 1 2 2 PHE CE1 C 13 131.176 0.000 . 1 . . . . A 101 PHE CE1 . 34333 1 18 . 1 1 2 2 PHE CZ C 13 131.245 0.000 . 1 . . . . A 101 PHE CZ . 34333 1 19 . 1 1 3 3 LYS H H 1 8.676 0.000 . 1 . . . . A 102 LYS H . 34333 1 20 . 1 1 3 3 LYS HA H 1 4.652 0.000 . 1 . . . . A 102 LYS HA . 34333 1 21 . 1 1 3 3 LYS HB2 H 1 1.507 0.000 . 2 . . . . A 102 LYS HB2 . 34333 1 22 . 1 1 3 3 LYS HB3 H 1 1.408 0.000 . 2 . . . . A 102 LYS HB3 . 34333 1 23 . 1 1 3 3 LYS HG2 H 1 1.136 0.000 . 2 . . . . A 102 LYS HG2 . 34333 1 24 . 1 1 3 3 LYS HG3 H 1 1.136 0.000 . 2 . . . . A 102 LYS HG3 . 34333 1 25 . 1 1 3 3 LYS HD2 H 1 0.697 0.000 . 2 . . . . A 102 LYS HD2 . 34333 1 26 . 1 1 3 3 LYS HD3 H 1 0.697 0.000 . 2 . . . . A 102 LYS HD3 . 34333 1 27 . 1 1 3 3 LYS C C 13 174.892 0.000 . 1 . . . . A 102 LYS C . 34333 1 28 . 1 1 3 3 LYS CA C 13 52.580 0.000 . 1 . . . . A 102 LYS CA . 34333 1 29 . 1 1 3 3 LYS CB C 13 33.384 0.000 . 1 . . . . A 102 LYS CB . 34333 1 30 . 1 1 3 3 LYS CG C 13 26.614 0.000 . 1 . . . . A 102 LYS CG . 34333 1 31 . 1 1 3 3 LYS N N 15 120.216 0.000 . 1 . . . . A 102 LYS N . 34333 1 32 . 1 1 4 4 CYS H H 1 8.064 0.000 . 1 . . . . A 103 CYS H . 34333 1 33 . 1 1 4 4 CYS HA H 1 4.893 0.000 . 1 . . . . A 103 CYS HA . 34333 1 34 . 1 1 4 4 CYS HB2 H 1 2.424 0.000 . 1 . . . . A 103 CYS HB2 . 34333 1 35 . 1 1 4 4 CYS HB3 H 1 3.126 0.000 . 1 . . . . A 103 CYS HB3 . 34333 1 36 . 1 1 4 4 CYS C C 13 175.847 0.000 . 1 . . . . A 103 CYS C . 34333 1 37 . 1 1 4 4 CYS CA C 13 50.125 0.000 . 1 . . . . A 103 CYS CA . 34333 1 38 . 1 1 4 4 CYS CB C 13 38.517 0.000 . 1 . . . . A 103 CYS CB . 34333 1 39 . 1 1 4 4 CYS N N 15 117.433 0.000 . 1 . . . . A 103 CYS N . 34333 1 40 . 1 1 5 5 PHE H H 1 8.885 0.000 . 1 . . . . A 104 PHE H . 34333 1 41 . 1 1 5 5 PHE HA H 1 4.254 0.000 . 1 . . . . A 104 PHE HA . 34333 1 42 . 1 1 5 5 PHE HB2 H 1 2.806 0.000 . 2 . . . . A 104 PHE HB2 . 34333 1 43 . 1 1 5 5 PHE HB3 H 1 2.460 0.000 . 2 . . . . A 104 PHE HB3 . 34333 1 44 . 1 1 5 5 PHE HD1 H 1 6.977 0.000 . 1 . . . . A 104 PHE HD1 . 34333 1 45 . 1 1 5 5 PHE HD2 H 1 6.977 0.000 . 1 . . . . A 104 PHE HD2 . 34333 1 46 . 1 1 5 5 PHE HE1 H 1 7.269 0.000 . 1 . . . . A 104 PHE HE1 . 34333 1 47 . 1 1 5 5 PHE HE2 H 1 7.269 0.000 . 1 . . . . A 104 PHE HE2 . 34333 1 48 . 1 1 5 5 PHE HZ H 1 7.219 0.000 . 1 . . . . A 104 PHE HZ . 34333 1 49 . 1 1 5 5 PHE C C 13 175.292 0.000 . 1 . . . . A 104 PHE C . 34333 1 50 . 1 1 5 5 PHE CA C 13 59.038 0.000 . 1 . . . . A 104 PHE CA . 34333 1 51 . 1 1 5 5 PHE CB C 13 36.269 0.000 . 1 . . . . A 104 PHE CB . 34333 1 52 . 1 1 5 5 PHE CZ C 13 127.359 0.000 . 1 . . . . A 104 PHE CZ . 34333 1 53 . 1 1 5 5 PHE N N 15 122.531 0.000 . 1 . . . . A 104 PHE N . 34333 1 54 . 1 1 6 6 THR H H 1 7.588 0.000 . 1 . . . . A 105 THR H . 34333 1 55 . 1 1 6 6 THR HA H 1 4.749 0.000 . 1 . . . . A 105 THR HA . 34333 1 56 . 1 1 6 6 THR HB H 1 4.115 0.000 . 1 . . . . A 105 THR HB . 34333 1 57 . 1 1 6 6 THR HG21 H 1 1.117 0.000 . 1 . . . . A 105 THR HG21 . 34333 1 58 . 1 1 6 6 THR HG22 H 1 1.117 0.000 . 1 . . . . A 105 THR HG22 . 34333 1 59 . 1 1 6 6 THR HG23 H 1 1.117 0.000 . 1 . . . . A 105 THR HG23 . 34333 1 60 . 1 1 6 6 THR C C 13 171.794 0.000 . 1 . . . . A 105 THR C . 34333 1 61 . 1 1 6 6 THR CA C 13 56.971 0.000 . 1 . . . . A 105 THR CA . 34333 1 62 . 1 1 6 6 THR CB C 13 69.900 0.000 . 1 . . . . A 105 THR CB . 34333 1 63 . 1 1 6 6 THR CG2 C 13 19.519 0.000 . 1 . . . . A 105 THR CG2 . 34333 1 64 . 1 1 6 6 THR N N 15 111.777 0.000 . 1 . . . . A 105 THR N . 34333 1 65 . 1 1 7 7 CYS H H 1 8.929 0.000 . 1 . . . . A 106 CYS H . 34333 1 66 . 1 1 7 7 CYS HA H 1 4.808 0.000 . 1 . . . . A 106 CYS HA . 34333 1 67 . 1 1 7 7 CYS HB2 H 1 4.030 0.000 . 2 . . . . A 106 CYS HB2 . 34333 1 68 . 1 1 7 7 CYS HB3 H 1 3.796 0.000 . 2 . . . . A 106 CYS HB3 . 34333 1 69 . 1 1 7 7 CYS C C 13 172.297 0.000 . 1 . . . . A 106 CYS C . 34333 1 70 . 1 1 7 7 CYS CA C 13 53.026 0.000 . 1 . . . . A 106 CYS CA . 34333 1 71 . 1 1 7 7 CYS CB C 13 46.378 0.000 . 1 . . . . A 106 CYS CB . 34333 1 72 . 1 1 7 7 CYS N N 15 114.174 0.000 . 1 . . . . A 106 CYS N . 34333 1 73 . 1 1 8 8 GLU H H 1 8.808 0.000 . 1 . . . . A 107 GLU H . 34333 1 74 . 1 1 8 8 GLU HA H 1 4.710 0.000 . 1 . . . . A 107 GLU HA . 34333 1 75 . 1 1 8 8 GLU HB2 H 1 1.846 0.000 . 2 . . . . A 107 GLU HB2 . 34333 1 76 . 1 1 8 8 GLU HB3 H 1 1.947 0.000 . 2 . . . . A 107 GLU HB3 . 34333 1 77 . 1 1 8 8 GLU HG2 H 1 2.437 0.000 . 2 . . . . A 107 GLU HG2 . 34333 1 78 . 1 1 8 8 GLU HG3 H 1 2.207 0.000 . 2 . . . . A 107 GLU HG3 . 34333 1 79 . 1 1 8 8 GLU C C 13 173.717 0.000 . 1 . . . . A 107 GLU C . 34333 1 80 . 1 1 8 8 GLU CA C 13 52.809 0.000 . 1 . . . . A 107 GLU CA . 34333 1 81 . 1 1 8 8 GLU CB C 13 28.360 0.000 . 1 . . . . A 107 GLU CB . 34333 1 82 . 1 1 8 8 GLU CG C 13 34.697 0.000 . 1 . . . . A 107 GLU CG . 34333 1 83 . 1 1 8 8 GLU N N 15 121.357 0.000 . 1 . . . . A 107 GLU N . 34333 1 84 . 1 1 9 9 LYS H H 1 8.455 0.000 . 1 . . . . A 108 LYS H . 34333 1 85 . 1 1 9 9 LYS HA H 1 3.544 0.000 . 1 . . . . A 108 LYS HA . 34333 1 86 . 1 1 9 9 LYS HB2 H 1 1.871 0.000 . 2 . . . . A 108 LYS HB2 . 34333 1 87 . 1 1 9 9 LYS HB3 H 1 1.871 0.000 . 2 . . . . A 108 LYS HB3 . 34333 1 88 . 1 1 9 9 LYS HG2 H 1 1.366 0.000 . 2 . . . . A 108 LYS HG2 . 34333 1 89 . 1 1 9 9 LYS HG3 H 1 1.194 0.000 . 2 . . . . A 108 LYS HG3 . 34333 1 90 . 1 1 9 9 LYS HD2 H 1 1.666 0.000 . 2 . . . . A 108 LYS HD2 . 34333 1 91 . 1 1 9 9 LYS HD3 H 1 1.666 0.000 . 2 . . . . A 108 LYS HD3 . 34333 1 92 . 1 1 9 9 LYS HE2 H 1 2.968 0.000 . 2 . . . . A 108 LYS HE2 . 34333 1 93 . 1 1 9 9 LYS HE3 H 1 2.968 0.000 . 2 . . . . A 108 LYS HE3 . 34333 1 94 . 1 1 9 9 LYS C C 13 175.538 0.000 . 1 . . . . A 108 LYS C . 34333 1 95 . 1 1 9 9 LYS CA C 13 54.863 0.000 . 1 . . . . A 108 LYS CA . 34333 1 96 . 1 1 9 9 LYS CB C 13 27.293 0.000 . 1 . . . . A 108 LYS CB . 34333 1 97 . 1 1 9 9 LYS CG C 13 22.759 0.000 . 1 . . . . A 108 LYS CG . 34333 1 98 . 1 1 9 9 LYS N N 15 124.054 0.000 . 1 . . . . A 108 LYS N . 34333 1 99 . 1 1 10 10 ALA H H 1 8.797 0.000 . 1 . . . . A 109 ALA H . 34333 1 100 . 1 1 10 10 ALA HA H 1 4.495 0.000 . 1 . . . . A 109 ALA HA . 34333 1 101 . 1 1 10 10 ALA HB1 H 1 1.539 0.000 . 1 . . . . A 109 ALA HB1 . 34333 1 102 . 1 1 10 10 ALA HB2 H 1 1.539 0.000 . 1 . . . . A 109 ALA HB2 . 34333 1 103 . 1 1 10 10 ALA HB3 H 1 1.539 0.000 . 1 . . . . A 109 ALA HB3 . 34333 1 104 . 1 1 10 10 ALA C C 13 177.965 0.000 . 1 . . . . A 109 ALA C . 34333 1 105 . 1 1 10 10 ALA CA C 13 48.926 0.000 . 1 . . . . A 109 ALA CA . 34333 1 106 . 1 1 10 10 ALA CB C 13 18.279 0.000 . 1 . . . . A 109 ALA CB . 34333 1 107 . 1 1 10 10 ALA N N 15 122.443 0.000 . 1 . . . . A 109 ALA N . 34333 1 108 . 1 1 11 11 ALA H H 1 8.766 0.000 . 1 . . . . A 110 ALA H . 34333 1 109 . 1 1 11 11 ALA HA H 1 4.047 0.000 . 1 . . . . A 110 ALA HA . 34333 1 110 . 1 1 11 11 ALA HB1 H 1 1.358 0.000 . 1 . . . . A 110 ALA HB1 . 34333 1 111 . 1 1 11 11 ALA HB2 H 1 1.358 0.000 . 1 . . . . A 110 ALA HB2 . 34333 1 112 . 1 1 11 11 ALA HB3 H 1 1.358 0.000 . 1 . . . . A 110 ALA HB3 . 34333 1 113 . 1 1 11 11 ALA C C 13 176.041 0.000 . 1 . . . . A 110 ALA C . 34333 1 114 . 1 1 11 11 ALA CA C 13 51.664 0.000 . 1 . . . . A 110 ALA CA . 34333 1 115 . 1 1 11 11 ALA CB C 13 17.116 0.000 . 1 . . . . A 110 ALA CB . 34333 1 116 . 1 1 11 11 ALA N N 15 120.685 0.000 . 1 . . . . A 110 ALA N . 34333 1 117 . 1 1 12 12 ASP H H 1 7.094 0.000 . 1 . . . . A 111 ASP H . 34333 1 118 . 1 1 12 12 ASP HA H 1 4.182 0.000 . 1 . . . . A 111 ASP HA . 34333 1 119 . 1 1 12 12 ASP HB2 H 1 2.986 0.000 . 2 . . . . A 111 ASP HB2 . 34333 1 120 . 1 1 12 12 ASP HB3 H 1 2.986 0.000 . 2 . . . . A 111 ASP HB3 . 34333 1 121 . 1 1 12 12 ASP C C 13 175.499 0.000 . 1 . . . . A 111 ASP C . 34333 1 122 . 1 1 12 12 ASP CA C 13 49.843 0.000 . 1 . . . . A 111 ASP CA . 34333 1 123 . 1 1 12 12 ASP CB C 13 38.841 0.000 . 1 . . . . A 111 ASP CB . 34333 1 124 . 1 1 12 12 ASP N N 15 105.557 0.000 . 1 . . . . A 111 ASP N . 34333 1 125 . 1 1 13 13 ASN H H 1 8.713 0.000 . 1 . . . . A 112 ASN H . 34333 1 126 . 1 1 13 13 ASN HA H 1 4.210 0.000 . 1 . . . . A 112 ASN HA . 34333 1 127 . 1 1 13 13 ASN HB2 H 1 2.350 0.000 . 2 . . . . A 112 ASN HB2 . 34333 1 128 . 1 1 13 13 ASN HB3 H 1 2.350 0.000 . 2 . . . . A 112 ASN HB3 . 34333 1 129 . 1 1 13 13 ASN HD21 H 1 7.058 0.000 . 2 . . . . A 112 ASN HD21 . 34333 1 130 . 1 1 13 13 ASN HD22 H 1 7.175 0.000 . 2 . . . . A 112 ASN HD22 . 34333 1 131 . 1 1 13 13 ASN C C 13 176.273 0.000 . 1 . . . . A 112 ASN C . 34333 1 132 . 1 1 13 13 ASN CA C 13 53.013 0.000 . 1 . . . . A 112 ASN CA . 34333 1 133 . 1 1 13 13 ASN CB C 13 36.849 0.000 . 1 . . . . A 112 ASN CB . 34333 1 134 . 1 1 13 13 ASN N N 15 116.583 0.000 . 1 . . . . A 112 ASN N . 34333 1 135 . 1 1 13 13 ASN ND2 N 15 109.990 0.000 . 1 . . . . A 112 ASN ND2 . 34333 1 136 . 1 1 14 14 TYR H H 1 7.830 0.000 . 1 . . . . A 113 TYR H . 34333 1 137 . 1 1 14 14 TYR HA H 1 3.910 0.000 . 1 . . . . A 113 TYR HA . 34333 1 138 . 1 1 14 14 TYR HB2 H 1 2.993 0.000 . 2 . . . . A 113 TYR HB2 . 34333 1 139 . 1 1 14 14 TYR HB3 H 1 2.993 0.000 . 2 . . . . A 113 TYR HB3 . 34333 1 140 . 1 1 14 14 TYR HD1 H 1 7.057 0.000 . 1 . . . . A 113 TYR HD1 . 34333 1 141 . 1 1 14 14 TYR HD2 H 1 7.057 0.000 . 1 . . . . A 113 TYR HD2 . 34333 1 142 . 1 1 14 14 TYR HE1 H 1 6.774 0.000 . 1 . . . . A 113 TYR HE1 . 34333 1 143 . 1 1 14 14 TYR HE2 H 1 6.774 0.000 . 1 . . . . A 113 TYR HE2 . 34333 1 144 . 1 1 14 14 TYR C C 13 177.836 0.000 . 1 . . . . A 113 TYR C . 34333 1 145 . 1 1 14 14 TYR CA C 13 57.990 0.000 . 1 . . . . A 113 TYR CA . 34333 1 146 . 1 1 14 14 TYR CB C 13 34.629 0.000 . 1 . . . . A 113 TYR CB . 34333 1 147 . 1 1 14 14 TYR N N 15 117.920 0.000 . 1 . . . . A 113 TYR N . 34333 1 148 . 1 1 15 15 GLU H H 1 9.100 0.000 . 1 . . . . A 114 GLU H . 34333 1 149 . 1 1 15 15 GLU HA H 1 3.778 0.000 . 1 . . . . A 114 GLU HA . 34333 1 150 . 1 1 15 15 GLU HB2 H 1 2.124 0.000 . 2 . . . . A 114 GLU HB2 . 34333 1 151 . 1 1 15 15 GLU HB3 H 1 2.050 0.000 . 2 . . . . A 114 GLU HB3 . 34333 1 152 . 1 1 15 15 GLU HG2 H 1 2.472 0.000 . 2 . . . . A 114 GLU HG2 . 34333 1 153 . 1 1 15 15 GLU HG3 H 1 2.472 0.000 . 2 . . . . A 114 GLU HG3 . 34333 1 154 . 1 1 15 15 GLU C C 13 178.210 0.000 . 1 . . . . A 114 GLU C . 34333 1 155 . 1 1 15 15 GLU CA C 13 56.028 0.000 . 1 . . . . A 114 GLU CA . 34333 1 156 . 1 1 15 15 GLU CB C 13 27.379 0.000 . 1 . . . . A 114 GLU CB . 34333 1 157 . 1 1 15 15 GLU CG C 13 33.775 0.000 . 1 . . . . A 114 GLU CG . 34333 1 158 . 1 1 15 15 GLU N N 15 119.249 0.000 . 1 . . . . A 114 GLU N . 34333 1 159 . 1 1 16 16 CYS H H 1 7.568 0.000 . 1 . . . . A 115 CYS H . 34333 1 160 . 1 1 16 16 CYS HA H 1 3.991 0.000 . 1 . . . . A 115 CYS HA . 34333 1 161 . 1 1 16 16 CYS HB2 H 1 2.784 0.000 . 1 . . . . A 115 CYS HB2 . 34333 1 162 . 1 1 16 16 CYS HB3 H 1 3.114 0.000 . 1 . . . . A 115 CYS HB3 . 34333 1 163 . 1 1 16 16 CYS C C 13 174.840 0.000 . 1 . . . . A 115 CYS C . 34333 1 164 . 1 1 16 16 CYS CA C 13 56.732 0.000 . 1 . . . . A 115 CYS CA . 34333 1 165 . 1 1 16 16 CYS CB C 13 42.087 0.000 . 1 . . . . A 115 CYS CB . 34333 1 166 . 1 1 16 16 CYS N N 15 115.365 0.000 . 1 . . . . A 115 CYS N . 34333 1 167 . 1 1 17 17 ASN H H 1 7.668 0.000 . 1 . . . . A 116 ASN H . 34333 1 168 . 1 1 17 17 ASN HA H 1 4.208 0.000 . 1 . . . . A 116 ASN HA . 34333 1 169 . 1 1 17 17 ASN HB2 H 1 2.362 0.000 . 2 . . . . A 116 ASN HB2 . 34333 1 170 . 1 1 17 17 ASN HB3 H 1 2.159 0.000 . 2 . . . . A 116 ASN HB3 . 34333 1 171 . 1 1 17 17 ASN HD21 H 1 6.870 0.000 . 2 . . . . A 116 ASN HD21 . 34333 1 172 . 1 1 17 17 ASN HD22 H 1 5.881 0.000 . 2 . . . . A 116 ASN HD22 . 34333 1 173 . 1 1 17 17 ASN C C 13 177.242 0.000 . 1 . . . . A 116 ASN C . 34333 1 174 . 1 1 17 17 ASN CA C 13 51.533 0.000 . 1 . . . . A 116 ASN CA . 34333 1 175 . 1 1 17 17 ASN CB C 13 33.715 0.000 . 1 . . . . A 116 ASN CB . 34333 1 176 . 1 1 17 17 ASN N N 15 114.765 0.000 . 1 . . . . A 116 ASN N . 34333 1 177 . 1 1 17 17 ASN ND2 N 15 105.654 0.000 . 1 . . . . A 116 ASN ND2 . 34333 1 178 . 1 1 18 18 ARG H H 1 7.910 0.000 . 1 . . . . A 117 ARG H . 34333 1 179 . 1 1 18 18 ARG HA H 1 3.769 0.000 . 1 . . . . A 117 ARG HA . 34333 1 180 . 1 1 18 18 ARG HB2 H 1 1.061 0.000 . 2 . . . . A 117 ARG HB2 . 34333 1 181 . 1 1 18 18 ARG HB3 H 1 1.328 0.000 . 2 . . . . A 117 ARG HB3 . 34333 1 182 . 1 1 18 18 ARG HG2 H 1 0.846 0.000 . 2 . . . . A 117 ARG HG2 . 34333 1 183 . 1 1 18 18 ARG HG3 H 1 0.846 0.000 . 2 . . . . A 117 ARG HG3 . 34333 1 184 . 1 1 18 18 ARG HD2 H 1 2.497 0.000 . 2 . . . . A 117 ARG HD2 . 34333 1 185 . 1 1 18 18 ARG HD3 H 1 2.497 0.000 . 2 . . . . A 117 ARG HD3 . 34333 1 186 . 1 1 18 18 ARG C C 13 176.700 0.000 . 1 . . . . A 117 ARG C . 34333 1 187 . 1 1 18 18 ARG CA C 13 55.503 0.000 . 1 . . . . A 117 ARG CA . 34333 1 188 . 1 1 18 18 ARG CB C 13 26.725 0.000 . 1 . . . . A 117 ARG CB . 34333 1 189 . 1 1 18 18 ARG N N 15 119.428 0.000 . 1 . . . . A 117 ARG N . 34333 1 190 . 1 1 19 19 TRP H H 1 7.032 0.000 . 1 . . . . A 118 TRP H . 34333 1 191 . 1 1 19 19 TRP HA H 1 4.858 0.000 . 1 . . . . A 118 TRP HA . 34333 1 192 . 1 1 19 19 TRP HB2 H 1 3.259 0.000 . 1 . . . . A 118 TRP HB2 . 34333 1 193 . 1 1 19 19 TRP HB3 H 1 3.574 0.000 . 1 . . . . A 118 TRP HB3 . 34333 1 194 . 1 1 19 19 TRP HD1 H 1 7.448 0.000 . 1 . . . . A 118 TRP HD1 . 34333 1 195 . 1 1 19 19 TRP HE1 H 1 10.118 0.000 . 1 . . . . A 118 TRP HE1 . 34333 1 196 . 1 1 19 19 TRP HE3 H 1 7.781 0.000 . 1 . . . . A 118 TRP HE3 . 34333 1 197 . 1 1 19 19 TRP HZ2 H 1 7.481 0.000 . 1 . . . . A 118 TRP HZ2 . 34333 1 198 . 1 1 19 19 TRP HZ3 H 1 7.137 0.000 . 1 . . . . A 118 TRP HZ3 . 34333 1 199 . 1 1 19 19 TRP HH2 H 1 7.223 0.000 . 1 . . . . A 118 TRP HH2 . 34333 1 200 . 1 1 19 19 TRP C C 13 175.241 0.000 . 1 . . . . A 118 TRP C . 34333 1 201 . 1 1 19 19 TRP CA C 13 53.160 0.000 . 1 . . . . A 118 TRP CA . 34333 1 202 . 1 1 19 19 TRP CB C 13 26.431 0.000 . 1 . . . . A 118 TRP CB . 34333 1 203 . 1 1 19 19 TRP CD1 C 13 126.452 0.000 . 1 . . . . A 118 TRP CD1 . 34333 1 204 . 1 1 19 19 TRP CE3 C 13 118.926 0.000 . 1 . . . . A 118 TRP CE3 . 34333 1 205 . 1 1 19 19 TRP CZ2 C 13 112.503 0.000 . 1 . . . . A 118 TRP CZ2 . 34333 1 206 . 1 1 19 19 TRP CZ3 C 13 119.930 0.000 . 1 . . . . A 118 TRP CZ3 . 34333 1 207 . 1 1 19 19 TRP CH2 C 13 122.617 0.000 . 1 . . . . A 118 TRP CH2 . 34333 1 208 . 1 1 19 19 TRP N N 15 117.550 0.000 . 1 . . . . A 118 TRP N . 34333 1 209 . 1 1 19 19 TRP NE1 N 15 128.713 0.000 . 1 . . . . A 118 TRP NE1 . 34333 1 210 . 1 1 20 20 ALA H H 1 7.567 0.000 . 1 . . . . A 119 ALA H . 34333 1 211 . 1 1 20 20 ALA HA H 1 4.730 0.000 . 1 . . . . A 119 ALA HA . 34333 1 212 . 1 1 20 20 ALA HB1 H 1 1.714 0.000 . 1 . . . . A 119 ALA HB1 . 34333 1 213 . 1 1 20 20 ALA HB2 H 1 1.714 0.000 . 1 . . . . A 119 ALA HB2 . 34333 1 214 . 1 1 20 20 ALA HB3 H 1 1.714 0.000 . 1 . . . . A 119 ALA HB3 . 34333 1 215 . 1 1 20 20 ALA CA C 13 48.003 0.000 . 1 . . . . A 119 ALA CA . 34333 1 216 . 1 1 20 20 ALA CB C 13 16.159 0.000 . 1 . . . . A 119 ALA CB . 34333 1 217 . 1 1 20 20 ALA N N 15 125.754 0.000 . 1 . . . . A 119 ALA N . 34333 1 218 . 1 1 21 21 PRO HA H 1 4.339 0.000 . 1 . . . . A 120 PRO HA . 34333 1 219 . 1 1 21 21 PRO HB2 H 1 1.765 0.000 . 2 . . . . A 120 PRO HB2 . 34333 1 220 . 1 1 21 21 PRO HB3 H 1 2.230 0.000 . 2 . . . . A 120 PRO HB3 . 34333 1 221 . 1 1 21 21 PRO HG2 H 1 1.911 0.000 . 2 . . . . A 120 PRO HG2 . 34333 1 222 . 1 1 21 21 PRO HG3 H 1 1.833 0.000 . 2 . . . . A 120 PRO HG3 . 34333 1 223 . 1 1 21 21 PRO HD2 H 1 3.685 0.000 . 2 . . . . A 120 PRO HD2 . 34333 1 224 . 1 1 21 21 PRO HD3 H 1 3.752 0.000 . 2 . . . . A 120 PRO HD3 . 34333 1 225 . 1 1 21 21 PRO C C 13 176.570 0.000 . 1 . . . . A 120 PRO C . 34333 1 226 . 1 1 21 21 PRO CA C 13 59.865 0.000 . 1 . . . . A 120 PRO CA . 34333 1 227 . 1 1 21 21 PRO CB C 13 29.211 0.000 . 1 . . . . A 120 PRO CB . 34333 1 228 . 1 1 21 21 PRO CG C 13 24.528 0.000 . 1 . . . . A 120 PRO CG . 34333 1 229 . 1 1 21 21 PRO CD C 13 48.012 0.000 . 1 . . . . A 120 PRO CD . 34333 1 230 . 1 1 22 22 ASP H H 1 8.762 0.000 . 1 . . . . A 121 ASP H . 34333 1 231 . 1 1 22 22 ASP HA H 1 4.493 0.000 . 1 . . . . A 121 ASP HA . 34333 1 232 . 1 1 22 22 ASP HB2 H 1 2.451 0.000 . 2 . . . . A 121 ASP HB2 . 34333 1 233 . 1 1 22 22 ASP HB3 H 1 2.633 0.000 . 2 . . . . A 121 ASP HB3 . 34333 1 234 . 1 1 22 22 ASP C C 13 174.518 0.000 . 1 . . . . A 121 ASP C . 34333 1 235 . 1 1 22 22 ASP CA C 13 50.515 0.000 . 1 . . . . A 121 ASP CA . 34333 1 236 . 1 1 22 22 ASP CB C 13 36.939 0.000 . 1 . . . . A 121 ASP CB . 34333 1 237 . 1 1 22 22 ASP N N 15 123.410 0.000 . 1 . . . . A 121 ASP N . 34333 1 238 . 1 1 23 23 ILE H H 1 7.172 0.000 . 1 . . . . A 122 ILE H . 34333 1 239 . 1 1 23 23 ILE HA H 1 4.390 0.000 . 1 . . . . A 122 ILE HA . 34333 1 240 . 1 1 23 23 ILE HB H 1 1.817 0.000 . 1 . . . . A 122 ILE HB . 34333 1 241 . 1 1 23 23 ILE HG12 H 1 1.266 0.000 . 2 . . . . A 122 ILE HG12 . 34333 1 242 . 1 1 23 23 ILE HG13 H 1 1.266 0.000 . 2 . . . . A 122 ILE HG13 . 34333 1 243 . 1 1 23 23 ILE HG21 H 1 0.870 0.000 . 1 . . . . A 122 ILE HG21 . 34333 1 244 . 1 1 23 23 ILE HG22 H 1 0.870 0.000 . 1 . . . . A 122 ILE HG22 . 34333 1 245 . 1 1 23 23 ILE HG23 H 1 0.870 0.000 . 1 . . . . A 122 ILE HG23 . 34333 1 246 . 1 1 23 23 ILE HD11 H 1 0.814 0.000 . 1 . . . . A 122 ILE HD11 . 34333 1 247 . 1 1 23 23 ILE HD12 H 1 0.814 0.000 . 1 . . . . A 122 ILE HD12 . 34333 1 248 . 1 1 23 23 ILE HD13 H 1 0.814 0.000 . 1 . . . . A 122 ILE HD13 . 34333 1 249 . 1 1 23 23 ILE C C 13 174.621 0.000 . 1 . . . . A 122 ILE C . 34333 1 250 . 1 1 23 23 ILE CA C 13 56.169 0.000 . 1 . . . . A 122 ILE CA . 34333 1 251 . 1 1 23 23 ILE CB C 13 38.838 0.000 . 1 . . . . A 122 ILE CB . 34333 1 252 . 1 1 23 23 ILE CG1 C 13 22.921 0.000 . 1 . . . . A 122 ILE CG1 . 34333 1 253 . 1 1 23 23 ILE CG2 C 13 17.709 0.000 . 1 . . . . A 122 ILE CG2 . 34333 1 254 . 1 1 23 23 ILE CD1 C 13 14.933 0.000 . 1 . . . . A 122 ILE CD1 . 34333 1 255 . 1 1 23 23 ILE N N 15 116.379 0.000 . 1 . . . . A 122 ILE N . 34333 1 256 . 1 1 24 24 TYR H H 1 8.179 0.000 . 1 . . . . A 123 TYR H . 34333 1 257 . 1 1 24 24 TYR HA H 1 4.219 0.000 . 1 . . . . A 123 TYR HA . 34333 1 258 . 1 1 24 24 TYR HB2 H 1 2.625 0.000 . 1 . . . . A 123 TYR HB2 . 34333 1 259 . 1 1 24 24 TYR HB3 H 1 2.910 0.000 . 1 . . . . A 123 TYR HB3 . 34333 1 260 . 1 1 24 24 TYR HD1 H 1 6.897 0.000 . 1 . . . . A 123 TYR HD1 . 34333 1 261 . 1 1 24 24 TYR HD2 H 1 6.897 0.000 . 1 . . . . A 123 TYR HD2 . 34333 1 262 . 1 1 24 24 TYR HE1 H 1 6.647 0.000 . 1 . . . . A 123 TYR HE1 . 34333 1 263 . 1 1 24 24 TYR HE2 H 1 6.647 0.000 . 1 . . . . A 123 TYR HE2 . 34333 1 264 . 1 1 24 24 TYR C C 13 176.403 0.000 . 1 . . . . A 123 TYR C . 34333 1 265 . 1 1 24 24 TYR CA C 13 55.899 0.000 . 1 . . . . A 123 TYR CA . 34333 1 266 . 1 1 24 24 TYR CB C 13 36.350 0.000 . 1 . . . . A 123 TYR CB . 34333 1 267 . 1 1 24 24 TYR CD1 C 13 130.991 0.000 . 1 . . . . A 123 TYR CD1 . 34333 1 268 . 1 1 24 24 TYR CE1 C 13 116.183 0.000 . 1 . . . . A 123 TYR CE1 . 34333 1 269 . 1 1 24 24 TYR N N 15 120.568 0.000 . 1 . . . . A 123 TYR N . 34333 1 270 . 1 1 25 25 CYS H H 1 8.848 0.000 . 1 . . . . A 124 CYS H . 34333 1 271 . 1 1 25 25 CYS HA H 1 4.784 0.000 . 1 . . . . A 124 CYS HA . 34333 1 272 . 1 1 25 25 CYS HB2 H 1 3.088 0.000 . 2 . . . . A 124 CYS HB2 . 34333 1 273 . 1 1 25 25 CYS HB3 H 1 1.692 0.000 . 2 . . . . A 124 CYS HB3 . 34333 1 274 . 1 1 25 25 CYS CA C 13 49.597 0.000 . 1 . . . . A 124 CYS CA . 34333 1 275 . 1 1 25 25 CYS CB C 13 33.903 0.000 . 1 . . . . A 124 CYS CB . 34333 1 276 . 1 1 25 25 CYS N N 15 119.982 0.000 . 1 . . . . A 124 CYS N . 34333 1 277 . 1 1 26 26 PRO HA H 1 4.299 0.000 . 1 . . . . A 125 PRO HA . 34333 1 278 . 1 1 26 26 PRO HB2 H 1 1.392 0.000 . 2 . . . . A 125 PRO HB2 . 34333 1 279 . 1 1 26 26 PRO HB3 H 1 1.105 0.000 . 2 . . . . A 125 PRO HB3 . 34333 1 280 . 1 1 26 26 PRO HG2 H 1 1.059 0.000 . 2 . . . . A 125 PRO HG2 . 34333 1 281 . 1 1 26 26 PRO HG3 H 1 0.906 0.000 . 2 . . . . A 125 PRO HG3 . 34333 1 282 . 1 1 26 26 PRO HD2 H 1 3.790 0.000 . 2 . . . . A 125 PRO HD2 . 34333 1 283 . 1 1 26 26 PRO HD3 H 1 3.790 0.000 . 2 . . . . A 125 PRO HD3 . 34333 1 284 . 1 1 26 26 PRO C C 13 174.563 0.000 . 1 . . . . A 125 PRO C . 34333 1 285 . 1 1 26 26 PRO CA C 13 58.094 0.000 . 1 . . . . A 125 PRO CA . 34333 1 286 . 1 1 26 26 PRO CB C 13 24.526 0.000 . 1 . . . . A 125 PRO CB . 34333 1 287 . 1 1 26 26 PRO CG C 13 24.211 0.000 . 1 . . . . A 125 PRO CG . 34333 1 288 . 1 1 27 27 ARG H H 1 8.339 0.000 . 1 . . . . A 126 ARG H . 34333 1 289 . 1 1 27 27 ARG HA H 1 4.119 0.000 . 1 . . . . A 126 ARG HA . 34333 1 290 . 1 1 27 27 ARG HB2 H 1 1.857 0.000 . 2 . . . . A 126 ARG HB2 . 34333 1 291 . 1 1 27 27 ARG HB3 H 1 1.857 0.000 . 2 . . . . A 126 ARG HB3 . 34333 1 292 . 1 1 27 27 ARG HG2 H 1 2.172 0.000 . 2 . . . . A 126 ARG HG2 . 34333 1 293 . 1 1 27 27 ARG HG3 H 1 2.172 0.000 . 2 . . . . A 126 ARG HG3 . 34333 1 294 . 1 1 27 27 ARG C C 13 176.306 0.000 . 1 . . . . A 126 ARG C . 34333 1 295 . 1 1 27 27 ARG CA C 13 56.202 0.000 . 1 . . . . A 126 ARG CA . 34333 1 296 . 1 1 27 27 ARG CB C 13 27.270 0.000 . 1 . . . . A 126 ARG CB . 34333 1 297 . 1 1 27 27 ARG N N 15 121.918 0.000 . 1 . . . . A 126 ARG N . 34333 1 298 . 1 1 28 28 GLU H H 1 8.993 0.000 . 1 . . . . A 127 GLU H . 34333 1 299 . 1 1 28 28 GLU HA H 1 4.256 0.000 . 1 . . . . A 127 GLU HA . 34333 1 300 . 1 1 28 28 GLU HB2 H 1 2.158 0.000 . 2 . . . . A 127 GLU HB2 . 34333 1 301 . 1 1 28 28 GLU HB3 H 1 2.026 0.000 . 2 . . . . A 127 GLU HB3 . 34333 1 302 . 1 1 28 28 GLU HG2 H 1 2.261 0.000 . 2 . . . . A 127 GLU HG2 . 34333 1 303 . 1 1 28 28 GLU HG3 H 1 2.261 0.000 . 2 . . . . A 127 GLU HG3 . 34333 1 304 . 1 1 28 28 GLU C C 13 176.132 0.000 . 1 . . . . A 127 GLU C . 34333 1 305 . 1 1 28 28 GLU CA C 13 54.988 0.000 . 1 . . . . A 127 GLU CA . 34333 1 306 . 1 1 28 28 GLU CB C 13 25.227 0.000 . 1 . . . . A 127 GLU CB . 34333 1 307 . 1 1 28 28 GLU CG C 13 33.765 0.000 . 1 . . . . A 127 GLU CG . 34333 1 308 . 1 1 28 28 GLU N N 15 116.116 0.000 . 1 . . . . A 127 GLU N . 34333 1 309 . 1 1 29 29 THR H H 1 7.729 0.000 . 1 . . . . A 128 THR H . 34333 1 310 . 1 1 29 29 THR HA H 1 4.116 0.000 . 1 . . . . A 128 THR HA . 34333 1 311 . 1 1 29 29 THR HB H 1 3.999 0.000 . 1 . . . . A 128 THR HB . 34333 1 312 . 1 1 29 29 THR HG21 H 1 0.913 0.000 . 1 . . . . A 128 THR HG21 . 34333 1 313 . 1 1 29 29 THR HG22 H 1 0.913 0.000 . 1 . . . . A 128 THR HG22 . 34333 1 314 . 1 1 29 29 THR HG23 H 1 0.913 0.000 . 1 . . . . A 128 THR HG23 . 34333 1 315 . 1 1 29 29 THR C C 13 172.646 0.000 . 1 . . . . A 128 THR C . 34333 1 316 . 1 1 29 29 THR CA C 13 58.410 0.000 . 1 . . . . A 128 THR CA . 34333 1 317 . 1 1 29 29 THR CB C 13 68.617 0.000 . 1 . . . . A 128 THR CB . 34333 1 318 . 1 1 29 29 THR CG2 C 13 20.368 0.000 . 1 . . . . A 128 THR CG2 . 34333 1 319 . 1 1 29 29 THR N N 15 109.691 0.000 . 1 . . . . A 128 THR N . 34333 1 320 . 1 1 30 30 ARG H H 1 7.926 0.000 . 1 . . . . A 129 ARG H . 34333 1 321 . 1 1 30 30 ARG HA H 1 4.347 0.000 . 1 . . . . A 129 ARG HA . 34333 1 322 . 1 1 30 30 ARG HB2 H 1 1.439 0.000 . 2 . . . . A 129 ARG HB2 . 34333 1 323 . 1 1 30 30 ARG HB3 H 1 1.191 0.000 . 2 . . . . A 129 ARG HB3 . 34333 1 324 . 1 1 30 30 ARG HG2 H 1 1.214 0.000 . 2 . . . . A 129 ARG HG2 . 34333 1 325 . 1 1 30 30 ARG HG3 H 1 0.931 0.000 . 2 . . . . A 129 ARG HG3 . 34333 1 326 . 1 1 30 30 ARG C C 13 172.994 0.000 . 1 . . . . A 129 ARG C . 34333 1 327 . 1 1 30 30 ARG CA C 13 53.868 0.000 . 1 . . . . A 129 ARG CA . 34333 1 328 . 1 1 30 30 ARG CB C 13 32.190 0.000 . 1 . . . . A 129 ARG CB . 34333 1 329 . 1 1 30 30 ARG N N 15 117.930 0.000 . 1 . . . . A 129 ARG N . 34333 1 330 . 1 1 31 31 TYR H H 1 8.461 0.000 . 1 . . . . A 130 TYR H . 34333 1 331 . 1 1 31 31 TYR HA H 1 5.037 0.000 . 1 . . . . A 130 TYR HA . 34333 1 332 . 1 1 31 31 TYR HB2 H 1 3.158 0.000 . 2 . . . . A 130 TYR HB2 . 34333 1 333 . 1 1 31 31 TYR HB3 H 1 2.610 0.000 . 2 . . . . A 130 TYR HB3 . 34333 1 334 . 1 1 31 31 TYR HD1 H 1 6.801 0.000 . 1 . . . . A 130 TYR HD1 . 34333 1 335 . 1 1 31 31 TYR HD2 H 1 6.801 0.000 . 1 . . . . A 130 TYR HD2 . 34333 1 336 . 1 1 31 31 TYR HE1 H 1 6.614 0.000 . 1 . . . . A 130 TYR HE1 . 34333 1 337 . 1 1 31 31 TYR HE2 H 1 6.614 0.000 . 1 . . . . A 130 TYR HE2 . 34333 1 338 . 1 1 31 31 TYR C C 13 174.686 0.000 . 1 . . . . A 130 TYR C . 34333 1 339 . 1 1 31 31 TYR CA C 13 53.877 0.000 . 1 . . . . A 130 TYR CA . 34333 1 340 . 1 1 31 31 TYR CB C 13 39.954 0.000 . 1 . . . . A 130 TYR CB . 34333 1 341 . 1 1 31 31 TYR CD1 C 13 131.050 0.000 . 1 . . . . A 130 TYR CD1 . 34333 1 342 . 1 1 31 31 TYR CE1 C 13 115.584 0.000 . 1 . . . . A 130 TYR CE1 . 34333 1 343 . 1 1 31 31 TYR N N 15 116.875 0.000 . 1 . . . . A 130 TYR N . 34333 1 344 . 1 1 32 32 CYS H H 1 9.250 0.000 . 1 . . . . A 131 CYS H . 34333 1 345 . 1 1 32 32 CYS HA H 1 5.884 0.000 . 1 . . . . A 131 CYS HA . 34333 1 346 . 1 1 32 32 CYS HB2 H 1 3.318 0.000 . 1 . . . . A 131 CYS HB2 . 34333 1 347 . 1 1 32 32 CYS HB3 H 1 3.197 0.000 . 1 . . . . A 131 CYS HB3 . 34333 1 348 . 1 1 32 32 CYS C C 13 173.872 0.000 . 1 . . . . A 131 CYS C . 34333 1 349 . 1 1 32 32 CYS CA C 13 49.838 0.000 . 1 . . . . A 131 CYS CA . 34333 1 350 . 1 1 32 32 CYS CB C 13 34.562 0.000 . 1 . . . . A 131 CYS CB . 34333 1 351 . 1 1 32 32 CYS N N 15 116.158 0.000 . 1 . . . . A 131 CYS N . 34333 1 352 . 1 1 33 33 TYR H H 1 9.517 0.000 . 1 . . . . A 132 TYR H . 34333 1 353 . 1 1 33 33 TYR HA H 1 5.545 0.000 . 1 . . . . A 132 TYR HA . 34333 1 354 . 1 1 33 33 TYR HB2 H 1 3.180 0.000 . 2 . . . . A 132 TYR HB2 . 34333 1 355 . 1 1 33 33 TYR HB3 H 1 2.769 0.000 . 2 . . . . A 132 TYR HB3 . 34333 1 356 . 1 1 33 33 TYR HD1 H 1 6.866 0.000 . 1 . . . . A 132 TYR HD1 . 34333 1 357 . 1 1 33 33 TYR HD2 H 1 6.866 0.000 . 1 . . . . A 132 TYR HD2 . 34333 1 358 . 1 1 33 33 TYR HE1 H 1 6.717 0.000 . 1 . . . . A 132 TYR HE1 . 34333 1 359 . 1 1 33 33 TYR HE2 H 1 6.717 0.000 . 1 . . . . A 132 TYR HE2 . 34333 1 360 . 1 1 33 33 TYR C C 13 175.279 0.000 . 1 . . . . A 132 TYR C . 34333 1 361 . 1 1 33 33 TYR CA C 13 54.037 0.000 . 1 . . . . A 132 TYR CA . 34333 1 362 . 1 1 33 33 TYR CB C 13 40.804 0.000 . 1 . . . . A 132 TYR CB . 34333 1 363 . 1 1 33 33 TYR CD1 C 13 130.921 0.000 . 1 . . . . A 132 TYR CD1 . 34333 1 364 . 1 1 33 33 TYR CE1 C 13 116.038 0.000 . 1 . . . . A 132 TYR CE1 . 34333 1 365 . 1 1 33 33 TYR N N 15 128.160 0.000 . 1 . . . . A 132 TYR N . 34333 1 366 . 1 1 34 34 THR H H 1 8.327 0.000 . 1 . . . . A 133 THR H . 34333 1 367 . 1 1 34 34 THR HA H 1 4.938 0.000 . 1 . . . . A 133 THR HA . 34333 1 368 . 1 1 34 34 THR HB H 1 3.785 0.000 . 1 . . . . A 133 THR HB . 34333 1 369 . 1 1 34 34 THR HG21 H 1 0.990 0.000 . 1 . . . . A 133 THR HG21 . 34333 1 370 . 1 1 34 34 THR HG22 H 1 0.990 0.000 . 1 . . . . A 133 THR HG22 . 34333 1 371 . 1 1 34 34 THR HG23 H 1 0.990 0.000 . 1 . . . . A 133 THR HG23 . 34333 1 372 . 1 1 34 34 THR C C 13 170.696 0.000 . 1 . . . . A 133 THR C . 34333 1 373 . 1 1 34 34 THR CA C 13 59.181 0.000 . 1 . . . . A 133 THR CA . 34333 1 374 . 1 1 34 34 THR CB C 13 68.370 0.000 . 1 . . . . A 133 THR CB . 34333 1 375 . 1 1 34 34 THR CG2 C 13 21.392 0.000 . 1 . . . . A 133 THR CG2 . 34333 1 376 . 1 1 34 34 THR N N 15 124.242 0.000 . 1 . . . . A 133 THR N . 34333 1 377 . 1 1 35 35 GLN H H 1 9.564 0.000 . 1 . . . . A 134 GLN H . 34333 1 378 . 1 1 35 35 GLN HA H 1 4.888 0.000 . 1 . . . . A 134 GLN HA . 34333 1 379 . 1 1 35 35 GLN HB2 H 1 2.061 0.000 . 2 . . . . A 134 GLN HB2 . 34333 1 380 . 1 1 35 35 GLN HB3 H 1 1.978 0.000 . 2 . . . . A 134 GLN HB3 . 34333 1 381 . 1 1 35 35 GLN HG2 H 1 1.873 0.000 . 2 . . . . A 134 GLN HG2 . 34333 1 382 . 1 1 35 35 GLN HG3 H 1 2.000 0.000 . 2 . . . . A 134 GLN HG3 . 34333 1 383 . 1 1 35 35 GLN HE21 H 1 7.340 0.000 . 1 . . . . A 134 GLN HE21 . 34333 1 384 . 1 1 35 35 GLN HE22 H 1 6.939 0.000 . 1 . . . . A 134 GLN HE22 . 34333 1 385 . 1 1 35 35 GLN C C 13 173.511 0.000 . 1 . . . . A 134 GLN C . 34333 1 386 . 1 1 35 35 GLN CA C 13 52.354 0.000 . 1 . . . . A 134 GLN CA . 34333 1 387 . 1 1 35 35 GLN CB C 13 29.978 0.000 . 1 . . . . A 134 GLN CB . 34333 1 388 . 1 1 35 35 GLN N N 15 125.344 0.000 . 1 . . . . A 134 GLN N . 34333 1 389 . 1 1 35 35 GLN NE2 N 15 112.657 0.000 . 1 . . . . A 134 GLN NE2 . 34333 1 390 . 1 1 36 36 HIS H H 1 9.589 0.000 . 1 . . . . A 135 HIS H . 34333 1 391 . 1 1 36 36 HIS HA H 1 5.541 0.000 . 1 . . . . A 135 HIS HA . 34333 1 392 . 1 1 36 36 HIS HB2 H 1 3.300 0.000 . 2 . . . . A 135 HIS HB2 . 34333 1 393 . 1 1 36 36 HIS HB3 H 1 2.563 0.000 . 2 . . . . A 135 HIS HB3 . 34333 1 394 . 1 1 36 36 HIS C C 13 172.781 0.000 . 1 . . . . A 135 HIS C . 34333 1 395 . 1 1 36 36 HIS CA C 13 49.592 0.000 . 1 . . . . A 135 HIS CA . 34333 1 396 . 1 1 36 36 HIS CB C 13 32.480 0.000 . 1 . . . . A 135 HIS CB . 34333 1 397 . 1 1 36 36 HIS N N 15 130.022 0.000 . 1 . . . . A 135 HIS N . 34333 1 398 . 1 1 37 37 THR H H 1 9.283 0.000 . 1 . . . . A 136 THR H . 34333 1 399 . 1 1 37 37 THR HA H 1 4.996 0.000 . 1 . . . . A 136 THR HA . 34333 1 400 . 1 1 37 37 THR HB H 1 3.928 0.000 . 1 . . . . A 136 THR HB . 34333 1 401 . 1 1 37 37 THR HG21 H 1 0.962 0.000 . 1 . . . . A 136 THR HG21 . 34333 1 402 . 1 1 37 37 THR HG22 H 1 0.962 0.000 . 1 . . . . A 136 THR HG22 . 34333 1 403 . 1 1 37 37 THR HG23 H 1 0.962 0.000 . 1 . . . . A 136 THR HG23 . 34333 1 404 . 1 1 37 37 THR C C 13 172.581 0.000 . 1 . . . . A 136 THR C . 34333 1 405 . 1 1 37 37 THR CA C 13 59.786 0.000 . 1 . . . . A 136 THR CA . 34333 1 406 . 1 1 37 37 THR CB C 13 66.089 0.000 . 1 . . . . A 136 THR CB . 34333 1 407 . 1 1 37 37 THR CG2 C 13 18.081 0.000 . 1 . . . . A 136 THR CG2 . 34333 1 408 . 1 1 37 37 THR N N 15 125.805 0.000 . 1 . . . . A 136 THR N . 34333 1 409 . 1 1 38 38 MET H H 1 9.349 0.000 . 1 . . . . A 137 MET H . 34333 1 410 . 1 1 38 38 MET HA H 1 4.856 0.000 . 1 . . . . A 137 MET HA . 34333 1 411 . 1 1 38 38 MET HB2 H 1 1.579 0.000 . 2 . . . . A 137 MET HB2 . 34333 1 412 . 1 1 38 38 MET HB3 H 1 1.480 0.000 . 2 . . . . A 137 MET HB3 . 34333 1 413 . 1 1 38 38 MET HG2 H 1 1.416 0.000 . 2 . . . . A 137 MET HG2 . 34333 1 414 . 1 1 38 38 MET HG3 H 1 1.416 0.000 . 2 . . . . A 137 MET HG3 . 34333 1 415 . 1 1 38 38 MET HE1 H 1 1.685 0.000 . 1 . . . . A 137 MET HE1 . 34333 1 416 . 1 1 38 38 MET HE2 H 1 1.685 0.000 . 1 . . . . A 137 MET HE2 . 34333 1 417 . 1 1 38 38 MET HE3 H 1 1.685 0.000 . 1 . . . . A 137 MET HE3 . 34333 1 418 . 1 1 38 38 MET C C 13 174.556 0.000 . 1 . . . . A 137 MET C . 34333 1 419 . 1 1 38 38 MET CA C 13 51.321 0.000 . 1 . . . . A 137 MET CA . 34333 1 420 . 1 1 38 38 MET CB C 13 35.214 0.000 . 1 . . . . A 137 MET CB . 34333 1 421 . 1 1 38 38 MET CE C 13 14.933 0.000 . 1 . . . . A 137 MET CE . 34333 1 422 . 1 1 38 38 MET N N 15 126.662 0.000 . 1 . . . . A 137 MET N . 34333 1 423 . 1 1 39 39 GLU H H 1 8.453 0.000 . 1 . . . . A 138 GLU H . 34333 1 424 . 1 1 39 39 GLU HA H 1 4.729 0.000 . 1 . . . . A 138 GLU HA . 34333 1 425 . 1 1 39 39 GLU HB2 H 1 2.217 0.000 . 2 . . . . A 138 GLU HB2 . 34333 1 426 . 1 1 39 39 GLU HB3 H 1 2.217 0.000 . 2 . . . . A 138 GLU HB3 . 34333 1 427 . 1 1 39 39 GLU HG2 H 1 2.216 0.000 . 2 . . . . A 138 GLU HG2 . 34333 1 428 . 1 1 39 39 GLU HG3 H 1 2.216 0.000 . 2 . . . . A 138 GLU HG3 . 34333 1 429 . 1 1 39 39 GLU C C 13 179.036 0.000 . 1 . . . . A 138 GLU C . 34333 1 430 . 1 1 39 39 GLU CA C 13 52.809 0.000 . 1 . . . . A 138 GLU CA . 34333 1 431 . 1 1 39 39 GLU CB C 13 28.619 0.000 . 1 . . . . A 138 GLU CB . 34333 1 432 . 1 1 39 39 GLU CG C 13 33.540 0.000 . 1 . . . . A 138 GLU CG . 34333 1 433 . 1 1 39 39 GLU N N 15 118.194 0.000 . 1 . . . . A 138 GLU N . 34333 1 434 . 1 1 40 40 VAL H H 1 8.659 0.000 . 1 . . . . A 139 VAL H . 34333 1 435 . 1 1 40 40 VAL HA H 1 3.816 0.000 . 1 . . . . A 139 VAL HA . 34333 1 436 . 1 1 40 40 VAL HB H 1 2.215 0.000 . 1 . . . . A 139 VAL HB . 34333 1 437 . 1 1 40 40 VAL HG11 H 1 1.007 0.000 . 2 . . . . A 139 VAL HG11 . 34333 1 438 . 1 1 40 40 VAL HG12 H 1 1.007 0.000 . 2 . . . . A 139 VAL HG12 . 34333 1 439 . 1 1 40 40 VAL HG13 H 1 1.007 0.000 . 2 . . . . A 139 VAL HG13 . 34333 1 440 . 1 1 40 40 VAL HG21 H 1 0.733 0.000 . 2 . . . . A 139 VAL HG21 . 34333 1 441 . 1 1 40 40 VAL HG22 H 1 0.733 0.000 . 2 . . . . A 139 VAL HG22 . 34333 1 442 . 1 1 40 40 VAL HG23 H 1 0.733 0.000 . 2 . . . . A 139 VAL HG23 . 34333 1 443 . 1 1 40 40 VAL C C 13 176.196 0.000 . 1 . . . . A 139 VAL C . 34333 1 444 . 1 1 40 40 VAL CA C 13 62.951 0.000 . 1 . . . . A 139 VAL CA . 34333 1 445 . 1 1 40 40 VAL CB C 13 28.921 0.000 . 1 . . . . A 139 VAL CB . 34333 1 446 . 1 1 40 40 VAL CG1 C 13 18.073 0.000 . 1 . . . . A 139 VAL CG1 . 34333 1 447 . 1 1 40 40 VAL CG2 C 13 19.444 0.000 . 1 . . . . A 139 VAL CG2 . 34333 1 448 . 1 1 40 40 VAL N N 15 120.597 0.000 . 1 . . . . A 139 VAL N . 34333 1 449 . 1 1 41 41 THR H H 1 7.324 0.000 . 1 . . . . A 140 THR H . 34333 1 450 . 1 1 41 41 THR HA H 1 4.225 0.000 . 1 . . . . A 140 THR HA . 34333 1 451 . 1 1 41 41 THR HB H 1 4.261 0.000 . 1 . . . . A 140 THR HB . 34333 1 452 . 1 1 41 41 THR HG21 H 1 1.255 0.000 . 1 . . . . A 140 THR HG21 . 34333 1 453 . 1 1 41 41 THR HG22 H 1 1.255 0.000 . 1 . . . . A 140 THR HG22 . 34333 1 454 . 1 1 41 41 THR HG23 H 1 1.255 0.000 . 1 . . . . A 140 THR HG23 . 34333 1 455 . 1 1 41 41 THR C C 13 175.460 0.000 . 1 . . . . A 140 THR C . 34333 1 456 . 1 1 41 41 THR CA C 13 59.199 0.000 . 1 . . . . A 140 THR CA . 34333 1 457 . 1 1 41 41 THR CB C 13 66.961 0.000 . 1 . . . . A 140 THR CB . 34333 1 458 . 1 1 41 41 THR CG2 C 13 19.515 0.000 . 1 . . . . A 140 THR CG2 . 34333 1 459 . 1 1 41 41 THR N N 15 107.675 0.000 . 1 . . . . A 140 THR N . 34333 1 460 . 1 1 42 42 GLY H H 1 8.110 0.000 . 1 . . . . A 141 GLY H . 34333 1 461 . 1 1 42 42 GLY HA2 H 1 4.488 0.000 . 2 . . . . A 141 GLY HA2 . 34333 1 462 . 1 1 42 42 GLY HA3 H 1 3.615 0.000 . 2 . . . . A 141 GLY HA3 . 34333 1 463 . 1 1 42 42 GLY C C 13 173.627 0.000 . 1 . . . . A 141 GLY C . 34333 1 464 . 1 1 42 42 GLY CA C 13 42.493 0.000 . 1 . . . . A 141 GLY CA . 34333 1 465 . 1 1 42 42 GLY N N 15 109.106 0.000 . 1 . . . . A 141 GLY N . 34333 1 466 . 1 1 43 43 ASN H H 1 7.919 0.000 . 1 . . . . A 142 ASN H . 34333 1 467 . 1 1 43 43 ASN HA H 1 4.673 0.000 . 1 . . . . A 142 ASN HA . 34333 1 468 . 1 1 43 43 ASN HB2 H 1 2.734 0.000 . 2 . . . . A 142 ASN HB2 . 34333 1 469 . 1 1 43 43 ASN HB3 H 1 2.655 0.000 . 2 . . . . A 142 ASN HB3 . 34333 1 470 . 1 1 43 43 ASN HD21 H 1 7.570 0.000 . 1 . . . . A 142 ASN HD21 . 34333 1 471 . 1 1 43 43 ASN HD22 H 1 6.942 0.000 . 1 . . . . A 142 ASN HD22 . 34333 1 472 . 1 1 43 43 ASN C C 13 175.408 0.000 . 1 . . . . A 142 ASN C . 34333 1 473 . 1 1 43 43 ASN CA C 13 50.772 0.000 . 1 . . . . A 142 ASN CA . 34333 1 474 . 1 1 43 43 ASN CB C 13 35.628 0.000 . 1 . . . . A 142 ASN CB . 34333 1 475 . 1 1 43 43 ASN N N 15 119.114 0.000 . 1 . . . . A 142 ASN N . 34333 1 476 . 1 1 43 43 ASN ND2 N 15 113.565 0.000 . 1 . . . . A 142 ASN ND2 . 34333 1 477 . 1 1 44 44 SER H H 1 8.802 0.000 . 1 . . . . A 143 SER H . 34333 1 478 . 1 1 44 44 SER HA H 1 4.485 0.000 . 1 . . . . A 143 SER HA . 34333 1 479 . 1 1 44 44 SER HB2 H 1 3.871 0.000 . 2 . . . . A 143 SER HB2 . 34333 1 480 . 1 1 44 44 SER HB3 H 1 3.797 0.000 . 2 . . . . A 143 SER HB3 . 34333 1 481 . 1 1 44 44 SER C C 13 173.240 0.000 . 1 . . . . A 143 SER C . 34333 1 482 . 1 1 44 44 SER CA C 13 58.430 0.000 . 1 . . . . A 143 SER CA . 34333 1 483 . 1 1 44 44 SER CB C 13 61.220 0.000 . 1 . . . . A 143 SER CB . 34333 1 484 . 1 1 44 44 SER N N 15 119.541 0.000 . 1 . . . . A 143 SER N . 34333 1 485 . 1 1 45 45 ILE H H 1 9.137 0.000 . 1 . . . . A 144 ILE H . 34333 1 486 . 1 1 45 45 ILE HA H 1 4.265 0.000 . 1 . . . . A 144 ILE HA . 34333 1 487 . 1 1 45 45 ILE HB H 1 1.311 0.000 . 1 . . . . A 144 ILE HB . 34333 1 488 . 1 1 45 45 ILE HG12 H 1 0.885 0.000 . 2 . . . . A 144 ILE HG12 . 34333 1 489 . 1 1 45 45 ILE HG13 H 1 0.804 0.000 . 2 . . . . A 144 ILE HG13 . 34333 1 490 . 1 1 45 45 ILE HG21 H 1 0.689 0.000 . 1 . . . . A 144 ILE HG21 . 34333 1 491 . 1 1 45 45 ILE HG22 H 1 0.689 0.000 . 1 . . . . A 144 ILE HG22 . 34333 1 492 . 1 1 45 45 ILE HG23 H 1 0.689 0.000 . 1 . . . . A 144 ILE HG23 . 34333 1 493 . 1 1 45 45 ILE HD11 H 1 0.343 0.000 . 1 . . . . A 144 ILE HD11 . 34333 1 494 . 1 1 45 45 ILE HD12 H 1 0.343 0.000 . 1 . . . . A 144 ILE HD12 . 34333 1 495 . 1 1 45 45 ILE HD13 H 1 0.343 0.000 . 1 . . . . A 144 ILE HD13 . 34333 1 496 . 1 1 45 45 ILE C C 13 175.292 0.000 . 1 . . . . A 144 ILE C . 34333 1 497 . 1 1 45 45 ILE CA C 13 58.580 0.000 . 1 . . . . A 144 ILE CA . 34333 1 498 . 1 1 45 45 ILE CB C 13 36.447 0.000 . 1 . . . . A 144 ILE CB . 34333 1 499 . 1 1 45 45 ILE CG1 C 13 23.754 0.000 . 1 . . . . A 144 ILE CG1 . 34333 1 500 . 1 1 45 45 ILE CG2 C 13 14.055 0.000 . 1 . . . . A 144 ILE CG2 . 34333 1 501 . 1 1 45 45 ILE CD1 C 13 8.588 0.000 . 1 . . . . A 144 ILE CD1 . 34333 1 502 . 1 1 45 45 ILE N N 15 122.207 0.000 . 1 . . . . A 144 ILE N . 34333 1 503 . 1 1 46 46 SER H H 1 7.760 0.000 . 1 . . . . A 145 SER H . 34333 1 504 . 1 1 46 46 SER HA H 1 4.994 0.000 . 1 . . . . A 145 SER HA . 34333 1 505 . 1 1 46 46 SER HB2 H 1 3.575 0.000 . 2 . . . . A 145 SER HB2 . 34333 1 506 . 1 1 46 46 SER HB3 H 1 3.575 0.000 . 2 . . . . A 145 SER HB3 . 34333 1 507 . 1 1 46 46 SER C C 13 172.588 0.000 . 1 . . . . A 145 SER C . 34333 1 508 . 1 1 46 46 SER CA C 13 55.239 0.000 . 1 . . . . A 145 SER CA . 34333 1 509 . 1 1 46 46 SER CB C 13 62.441 0.000 . 1 . . . . A 145 SER CB . 34333 1 510 . 1 1 46 46 SER N N 15 110.430 0.000 . 1 . . . . A 145 SER N . 34333 1 511 . 1 1 47 47 VAL H H 1 9.125 0.000 . 1 . . . . A 146 VAL H . 34333 1 512 . 1 1 47 47 VAL HA H 1 4.801 0.000 . 1 . . . . A 146 VAL HA . 34333 1 513 . 1 1 47 47 VAL HB H 1 1.668 0.000 . 1 . . . . A 146 VAL HB . 34333 1 514 . 1 1 47 47 VAL HG11 H 1 0.633 0.000 . 2 . . . . A 146 VAL HG11 . 34333 1 515 . 1 1 47 47 VAL HG12 H 1 0.633 0.000 . 2 . . . . A 146 VAL HG12 . 34333 1 516 . 1 1 47 47 VAL HG13 H 1 0.633 0.000 . 2 . . . . A 146 VAL HG13 . 34333 1 517 . 1 1 47 47 VAL HG21 H 1 0.790 0.000 . 2 . . . . A 146 VAL HG21 . 34333 1 518 . 1 1 47 47 VAL HG22 H 1 0.790 0.000 . 2 . . . . A 146 VAL HG22 . 34333 1 519 . 1 1 47 47 VAL HG23 H 1 0.790 0.000 . 2 . . . . A 146 VAL HG23 . 34333 1 520 . 1 1 47 47 VAL C C 13 172.943 0.000 . 1 . . . . A 146 VAL C . 34333 1 521 . 1 1 47 47 VAL CA C 13 58.827 0.000 . 1 . . . . A 146 VAL CA . 34333 1 522 . 1 1 47 47 VAL CB C 13 33.384 0.000 . 1 . . . . A 146 VAL CB . 34333 1 523 . 1 1 47 47 VAL CG1 C 13 19.270 0.000 . 1 . . . . A 146 VAL CG1 . 34333 1 524 . 1 1 47 47 VAL CG2 C 13 20.380 0.000 . 1 . . . . A 146 VAL CG2 . 34333 1 525 . 1 1 47 47 VAL N N 15 125.441 0.000 . 1 . . . . A 146 VAL N . 34333 1 526 . 1 1 48 48 THR H H 1 8.828 0.000 . 1 . . . . A 147 THR H . 34333 1 527 . 1 1 48 48 THR HA H 1 4.921 0.000 . 1 . . . . A 147 THR HA . 34333 1 528 . 1 1 48 48 THR HB H 1 4.018 0.000 . 1 . . . . A 147 THR HB . 34333 1 529 . 1 1 48 48 THR HG21 H 1 1.465 0.000 . 1 . . . . A 147 THR HG21 . 34333 1 530 . 1 1 48 48 THR HG22 H 1 1.465 0.000 . 1 . . . . A 147 THR HG22 . 34333 1 531 . 1 1 48 48 THR HG23 H 1 1.465 0.000 . 1 . . . . A 147 THR HG23 . 34333 1 532 . 1 1 48 48 THR C C 13 172.065 0.000 . 1 . . . . A 147 THR C . 34333 1 533 . 1 1 48 48 THR CA C 13 59.146 0.000 . 1 . . . . A 147 THR CA . 34333 1 534 . 1 1 48 48 THR CB C 13 71.156 0.000 . 1 . . . . A 147 THR CB . 34333 1 535 . 1 1 48 48 THR CG2 C 13 19.390 0.000 . 1 . . . . A 147 THR CG2 . 34333 1 536 . 1 1 48 48 THR N N 15 123.679 0.000 . 1 . . . . A 147 THR N . 34333 1 537 . 1 1 49 49 LYS H H 1 9.396 0.000 . 1 . . . . A 148 LYS H . 34333 1 538 . 1 1 49 49 LYS HA H 1 5.758 0.000 . 1 . . . . A 148 LYS HA . 34333 1 539 . 1 1 49 49 LYS HB2 H 1 1.476 0.000 . 2 . . . . A 148 LYS HB2 . 34333 1 540 . 1 1 49 49 LYS HB3 H 1 2.017 0.000 . 2 . . . . A 148 LYS HB3 . 34333 1 541 . 1 1 49 49 LYS HG2 H 1 1.597 0.000 . 2 . . . . A 148 LYS HG2 . 34333 1 542 . 1 1 49 49 LYS HG3 H 1 1.597 0.000 . 2 . . . . A 148 LYS HG3 . 34333 1 543 . 1 1 49 49 LYS HD2 H 1 1.201 0.000 . 2 . . . . A 148 LYS HD2 . 34333 1 544 . 1 1 49 49 LYS HD3 H 1 1.201 0.000 . 2 . . . . A 148 LYS HD3 . 34333 1 545 . 1 1 49 49 LYS HE2 H 1 3.352 0.000 . 2 . . . . A 148 LYS HE2 . 34333 1 546 . 1 1 49 49 LYS HE3 H 1 3.352 0.000 . 2 . . . . A 148 LYS HE3 . 34333 1 547 . 1 1 49 49 LYS C C 13 176.299 0.000 . 1 . . . . A 148 LYS C . 34333 1 548 . 1 1 49 49 LYS CA C 13 53.179 0.000 . 1 . . . . A 148 LYS CA . 34333 1 549 . 1 1 49 49 LYS CB C 13 35.055 0.000 . 1 . . . . A 148 LYS CB . 34333 1 550 . 1 1 49 49 LYS N N 15 127.198 0.000 . 1 . . . . A 148 LYS N . 34333 1 551 . 1 1 50 50 ARG H H 1 8.794 0.000 . 1 . . . . A 149 ARG H . 34333 1 552 . 1 1 50 50 ARG HA H 1 4.909 0.000 . 1 . . . . A 149 ARG HA . 34333 1 553 . 1 1 50 50 ARG HB2 H 1 2.818 0.000 . 2 . . . . A 149 ARG HB2 . 34333 1 554 . 1 1 50 50 ARG HB3 H 1 1.737 0.000 . 2 . . . . A 149 ARG HB3 . 34333 1 555 . 1 1 50 50 ARG HG2 H 1 2.124 0.000 . 2 . . . . A 149 ARG HG2 . 34333 1 556 . 1 1 50 50 ARG HG3 H 1 1.332 0.000 . 2 . . . . A 149 ARG HG3 . 34333 1 557 . 1 1 50 50 ARG HE H 1 7.772 0.000 . 1 . . . . A 149 ARG HE . 34333 1 558 . 1 1 50 50 ARG C C 13 174.531 0.000 . 1 . . . . A 149 ARG C . 34333 1 559 . 1 1 50 50 ARG CA C 13 52.898 0.000 . 1 . . . . A 149 ARG CA . 34333 1 560 . 1 1 50 50 ARG CB C 13 33.476 0.000 . 1 . . . . A 149 ARG CB . 34333 1 561 . 1 1 50 50 ARG N N 15 118.904 0.000 . 1 . . . . A 149 ARG N . 34333 1 562 . 1 1 50 50 ARG NE N 15 84.795 0.000 . 1 . . . . A 149 ARG NE . 34333 1 563 . 1 1 51 51 CYS H H 1 8.816 0.000 . 1 . . . . A 150 CYS H . 34333 1 564 . 1 1 51 51 CYS HA H 1 5.553 0.000 . 1 . . . . A 150 CYS HA . 34333 1 565 . 1 1 51 51 CYS HB2 H 1 3.343 0.000 . 1 . . . . A 150 CYS HB2 . 34333 1 566 . 1 1 51 51 CYS HB3 H 1 3.136 0.000 . 1 . . . . A 150 CYS HB3 . 34333 1 567 . 1 1 51 51 CYS C C 13 175.551 0.000 . 1 . . . . A 150 CYS C . 34333 1 568 . 1 1 51 51 CYS CA C 13 53.908 0.000 . 1 . . . . A 150 CYS CA . 34333 1 569 . 1 1 51 51 CYS CB C 13 40.680 0.000 . 1 . . . . A 150 CYS CB . 34333 1 570 . 1 1 51 51 CYS N N 15 121.098 0.000 . 1 . . . . A 150 CYS N . 34333 1 571 . 1 1 52 52 VAL H H 1 9.528 0.000 . 1 . . . . A 151 VAL H . 34333 1 572 . 1 1 52 52 VAL HA H 1 5.168 0.000 . 1 . . . . A 151 VAL HA . 34333 1 573 . 1 1 52 52 VAL HB H 1 2.303 0.000 . 1 . . . . A 151 VAL HB . 34333 1 574 . 1 1 52 52 VAL HG11 H 1 0.961 0.000 . 2 . . . . A 151 VAL HG11 . 34333 1 575 . 1 1 52 52 VAL HG12 H 1 0.961 0.000 . 2 . . . . A 151 VAL HG12 . 34333 1 576 . 1 1 52 52 VAL HG13 H 1 0.961 0.000 . 2 . . . . A 151 VAL HG13 . 34333 1 577 . 1 1 52 52 VAL HG21 H 1 0.505 0.000 . 2 . . . . A 151 VAL HG21 . 34333 1 578 . 1 1 52 52 VAL HG22 H 1 0.505 0.000 . 2 . . . . A 151 VAL HG22 . 34333 1 579 . 1 1 52 52 VAL HG23 H 1 0.505 0.000 . 2 . . . . A 151 VAL HG23 . 34333 1 580 . 1 1 52 52 VAL CA C 13 55.988 0.000 . 1 . . . . A 151 VAL CA . 34333 1 581 . 1 1 52 52 VAL CB C 13 32.507 0.000 . 1 . . . . A 151 VAL CB . 34333 1 582 . 1 1 52 52 VAL CG1 C 13 18.437 0.000 . 1 . . . . A 151 VAL CG1 . 34333 1 583 . 1 1 52 52 VAL CG2 C 13 20.020 0.000 . 1 . . . . A 151 VAL CG2 . 34333 1 584 . 1 1 52 52 VAL N N 15 113.948 0.000 . 1 . . . . A 151 VAL N . 34333 1 585 . 1 1 53 53 PRO HA H 1 4.473 0.000 . 1 . . . . A 152 PRO HA . 34333 1 586 . 1 1 53 53 PRO HB2 H 1 2.503 0.000 . 2 . . . . A 152 PRO HB2 . 34333 1 587 . 1 1 53 53 PRO HB3 H 1 1.865 0.000 . 2 . . . . A 152 PRO HB3 . 34333 1 588 . 1 1 53 53 PRO HG2 H 1 2.035 0.000 . 2 . . . . A 152 PRO HG2 . 34333 1 589 . 1 1 53 53 PRO HG3 H 1 1.716 0.000 . 2 . . . . A 152 PRO HG3 . 34333 1 590 . 1 1 53 53 PRO HD2 H 1 3.573 0.000 . 2 . . . . A 152 PRO HD2 . 34333 1 591 . 1 1 53 53 PRO HD3 H 1 3.298 0.000 . 2 . . . . A 152 PRO HD3 . 34333 1 592 . 1 1 53 53 PRO C C 13 174.957 0.000 . 1 . . . . A 152 PRO C . 34333 1 593 . 1 1 53 53 PRO CA C 13 59.647 0.000 . 1 . . . . A 152 PRO CA . 34333 1 594 . 1 1 53 53 PRO CB C 13 29.928 0.000 . 1 . . . . A 152 PRO CB . 34333 1 595 . 1 1 53 53 PRO CG C 13 24.714 0.000 . 1 . . . . A 152 PRO CG . 34333 1 596 . 1 1 53 53 PRO CD C 13 48.013 0.000 . 1 . . . . A 152 PRO CD . 34333 1 597 . 1 1 54 54 LEU H H 1 8.796 0.000 . 1 . . . . A 153 LEU H . 34333 1 598 . 1 1 54 54 LEU HA H 1 3.704 0.000 . 1 . . . . A 153 LEU HA . 34333 1 599 . 1 1 54 54 LEU HB2 H 1 1.711 0.000 . 2 . . . . A 153 LEU HB2 . 34333 1 600 . 1 1 54 54 LEU HB3 H 1 1.711 0.000 . 2 . . . . A 153 LEU HB3 . 34333 1 601 . 1 1 54 54 LEU HG H 1 1.455 0.000 . 1 . . . . A 153 LEU HG . 34333 1 602 . 1 1 54 54 LEU HD11 H 1 0.903 0.000 . 2 . . . . A 153 LEU HD11 . 34333 1 603 . 1 1 54 54 LEU HD12 H 1 0.903 0.000 . 2 . . . . A 153 LEU HD12 . 34333 1 604 . 1 1 54 54 LEU HD13 H 1 0.903 0.000 . 2 . . . . A 153 LEU HD13 . 34333 1 605 . 1 1 54 54 LEU HD21 H 1 0.824 0.000 . 2 . . . . A 153 LEU HD21 . 34333 1 606 . 1 1 54 54 LEU HD22 H 1 0.824 0.000 . 2 . . . . A 153 LEU HD22 . 34333 1 607 . 1 1 54 54 LEU HD23 H 1 0.824 0.000 . 2 . . . . A 153 LEU HD23 . 34333 1 608 . 1 1 54 54 LEU C C 13 177.719 0.000 . 1 . . . . A 153 LEU C . 34333 1 609 . 1 1 54 54 LEU CA C 13 56.131 0.000 . 1 . . . . A 153 LEU CA . 34333 1 610 . 1 1 54 54 LEU CB C 13 39.711 0.000 . 1 . . . . A 153 LEU CB . 34333 1 611 . 1 1 54 54 LEU CG C 13 24.307 0.000 . 1 . . . . A 153 LEU CG . 34333 1 612 . 1 1 54 54 LEU CD1 C 13 22.911 0.000 . 1 . . . . A 153 LEU CD1 . 34333 1 613 . 1 1 54 54 LEU CD2 C 13 20.481 0.000 . 1 . . . . A 153 LEU CD2 . 34333 1 614 . 1 1 54 54 LEU N N 15 118.889 0.000 . 1 . . . . A 153 LEU N . 34333 1 615 . 1 1 55 55 GLU H H 1 9.248 0.000 . 1 . . . . A 154 GLU H . 34333 1 616 . 1 1 55 55 GLU HA H 1 3.782 0.000 . 1 . . . . A 154 GLU HA . 34333 1 617 . 1 1 55 55 GLU HB2 H 1 1.997 0.000 . 2 . . . . A 154 GLU HB2 . 34333 1 618 . 1 1 55 55 GLU HB3 H 1 1.997 0.000 . 2 . . . . A 154 GLU HB3 . 34333 1 619 . 1 1 55 55 GLU HG2 H 1 2.211 0.000 . 2 . . . . A 154 GLU HG2 . 34333 1 620 . 1 1 55 55 GLU HG3 H 1 1.468 0.000 . 2 . . . . A 154 GLU HG3 . 34333 1 621 . 1 1 55 55 GLU C C 13 177.719 0.000 . 1 . . . . A 154 GLU C . 34333 1 622 . 1 1 55 55 GLU CA C 13 57.851 0.000 . 1 . . . . A 154 GLU CA . 34333 1 623 . 1 1 55 55 GLU CB C 13 25.877 0.000 . 1 . . . . A 154 GLU CB . 34333 1 624 . 1 1 55 55 GLU N N 15 114.030 0.000 . 1 . . . . A 154 GLU N . 34333 1 625 . 1 1 56 56 GLU H H 1 7.222 0.000 . 1 . . . . A 155 GLU H . 34333 1 626 . 1 1 56 56 GLU HA H 1 4.323 0.000 . 1 . . . . A 155 GLU HA . 34333 1 627 . 1 1 56 56 GLU HB2 H 1 2.131 0.000 . 2 . . . . A 155 GLU HB2 . 34333 1 628 . 1 1 56 56 GLU HB3 H 1 1.634 0.000 . 2 . . . . A 155 GLU HB3 . 34333 1 629 . 1 1 56 56 GLU HG2 H 1 2.024 0.000 . 2 . . . . A 155 GLU HG2 . 34333 1 630 . 1 1 56 56 GLU HG3 H 1 2.024 0.000 . 2 . . . . A 155 GLU HG3 . 34333 1 631 . 1 1 56 56 GLU C C 13 176.725 0.000 . 1 . . . . A 155 GLU C . 34333 1 632 . 1 1 56 56 GLU CA C 13 54.370 0.000 . 1 . . . . A 155 GLU CA . 34333 1 633 . 1 1 56 56 GLU CB C 13 26.814 0.000 . 1 . . . . A 155 GLU CB . 34333 1 634 . 1 1 56 56 GLU CG C 13 33.953 0.000 . 1 . . . . A 155 GLU CG . 34333 1 635 . 1 1 56 56 GLU N N 15 116.349 0.000 . 1 . . . . A 155 GLU N . 34333 1 636 . 1 1 57 57 CYS H H 1 8.135 0.000 . 1 . . . . A 156 CYS H . 34333 1 637 . 1 1 57 57 CYS HA H 1 4.566 0.000 . 1 . . . . A 156 CYS HA . 34333 1 638 . 1 1 57 57 CYS HB2 H 1 2.326 0.000 . 1 . . . . A 156 CYS HB2 . 34333 1 639 . 1 1 57 57 CYS HB3 H 1 2.625 0.000 . 1 . . . . A 156 CYS HB3 . 34333 1 640 . 1 1 57 57 CYS C C 13 174.247 0.000 . 1 . . . . A 156 CYS C . 34333 1 641 . 1 1 57 57 CYS CA C 13 51.700 0.000 . 1 . . . . A 156 CYS CA . 34333 1 642 . 1 1 57 57 CYS CB C 13 37.852 0.000 . 1 . . . . A 156 CYS CB . 34333 1 643 . 1 1 57 57 CYS N N 15 116.359 0.000 . 1 . . . . A 156 CYS N . 34333 1 644 . 1 1 58 58 LEU H H 1 7.275 0.000 . 1 . . . . A 157 LEU H . 34333 1 645 . 1 1 58 58 LEU HA H 1 4.226 0.000 . 1 . . . . A 157 LEU HA . 34333 1 646 . 1 1 58 58 LEU HB2 H 1 1.677 0.000 . 2 . . . . A 157 LEU HB2 . 34333 1 647 . 1 1 58 58 LEU HB3 H 1 1.597 0.000 . 2 . . . . A 157 LEU HB3 . 34333 1 648 . 1 1 58 58 LEU HG H 1 1.673 0.000 . 1 . . . . A 157 LEU HG . 34333 1 649 . 1 1 58 58 LEU HD11 H 1 0.880 0.000 . 2 . . . . A 157 LEU HD11 . 34333 1 650 . 1 1 58 58 LEU HD12 H 1 0.880 0.000 . 2 . . . . A 157 LEU HD12 . 34333 1 651 . 1 1 58 58 LEU HD13 H 1 0.880 0.000 . 2 . . . . A 157 LEU HD13 . 34333 1 652 . 1 1 58 58 LEU HD21 H 1 0.730 0.000 . 2 . . . . A 157 LEU HD21 . 34333 1 653 . 1 1 58 58 LEU HD22 H 1 0.730 0.000 . 2 . . . . A 157 LEU HD22 . 34333 1 654 . 1 1 58 58 LEU HD23 H 1 0.730 0.000 . 2 . . . . A 157 LEU HD23 . 34333 1 655 . 1 1 58 58 LEU C C 13 176.919 0.000 . 1 . . . . A 157 LEU C . 34333 1 656 . 1 1 58 58 LEU CA C 13 53.326 0.000 . 1 . . . . A 157 LEU CA . 34333 1 657 . 1 1 58 58 LEU CB C 13 38.821 0.000 . 1 . . . . A 157 LEU CB . 34333 1 658 . 1 1 58 58 LEU CG C 13 23.673 0.000 . 1 . . . . A 157 LEU CG . 34333 1 659 . 1 1 58 58 LEU CD1 C 13 22.520 0.000 . 1 . . . . A 157 LEU CD1 . 34333 1 660 . 1 1 58 58 LEU CD2 C 13 19.192 0.000 . 1 . . . . A 157 LEU CD2 . 34333 1 661 . 1 1 58 58 LEU N N 15 119.248 0.000 . 1 . . . . A 157 LEU N . 34333 1 662 . 1 1 59 59 SER H H 1 8.052 0.000 . 1 . . . . A 158 SER H . 34333 1 663 . 1 1 59 59 SER HA H 1 4.735 0.000 . 1 . . . . A 158 SER HA . 34333 1 664 . 1 1 59 59 SER HB2 H 1 3.773 0.000 . 2 . . . . A 158 SER HB2 . 34333 1 665 . 1 1 59 59 SER HB3 H 1 3.707 0.000 . 2 . . . . A 158 SER HB3 . 34333 1 666 . 1 1 59 59 SER C C 13 174.389 0.000 . 1 . . . . A 158 SER C . 34333 1 667 . 1 1 59 59 SER CA C 13 53.712 0.000 . 1 . . . . A 158 SER CA . 34333 1 668 . 1 1 59 59 SER CB C 13 60.248 0.000 . 1 . . . . A 158 SER CB . 34333 1 669 . 1 1 59 59 SER N N 15 115.176 0.000 . 1 . . . . A 158 SER N . 34333 1 670 . 1 1 60 60 THR H H 1 7.626 0.000 . 1 . . . . A 159 THR H . 34333 1 671 . 1 1 60 60 THR HA H 1 4.135 0.000 . 1 . . . . A 159 THR HA . 34333 1 672 . 1 1 60 60 THR HB H 1 4.345 0.000 . 1 . . . . A 159 THR HB . 34333 1 673 . 1 1 60 60 THR HG21 H 1 1.082 0.000 . 1 . . . . A 159 THR HG21 . 34333 1 674 . 1 1 60 60 THR HG22 H 1 1.082 0.000 . 1 . . . . A 159 THR HG22 . 34333 1 675 . 1 1 60 60 THR HG23 H 1 1.082 0.000 . 1 . . . . A 159 THR HG23 . 34333 1 676 . 1 1 60 60 THR C C 13 173.704 0.000 . 1 . . . . A 159 THR C . 34333 1 677 . 1 1 60 60 THR CA C 13 58.827 0.000 . 1 . . . . A 159 THR CA . 34333 1 678 . 1 1 60 60 THR CB C 13 67.461 0.000 . 1 . . . . A 159 THR CB . 34333 1 679 . 1 1 60 60 THR CG2 C 13 19.334 0.000 . 1 . . . . A 159 THR CG2 . 34333 1 680 . 1 1 60 60 THR N N 15 113.276 0.000 . 1 . . . . A 159 THR N . 34333 1 681 . 1 1 61 61 GLY H H 1 8.220 0.000 . 1 . . . . A 160 GLY H . 34333 1 682 . 1 1 61 61 GLY HA2 H 1 4.723 0.000 . 2 . . . . A 160 GLY HA2 . 34333 1 683 . 1 1 61 61 GLY HA3 H 1 3.966 0.000 . 2 . . . . A 160 GLY HA3 . 34333 1 684 . 1 1 61 61 GLY C C 13 173.795 0.000 . 1 . . . . A 160 GLY C . 34333 1 685 . 1 1 61 61 GLY CA C 13 41.381 0.000 . 1 . . . . A 160 GLY CA . 34333 1 686 . 1 1 61 61 GLY N N 15 108.242 0.000 . 1 . . . . A 160 GLY N . 34333 1 687 . 1 1 62 62 CYS H H 1 9.071 0.000 . 1 . . . . A 161 CYS H . 34333 1 688 . 1 1 62 62 CYS HA H 1 5.913 0.000 . 1 . . . . A 161 CYS HA . 34333 1 689 . 1 1 62 62 CYS HB2 H 1 3.029 0.000 . 1 . . . . A 161 CYS HB2 . 34333 1 690 . 1 1 62 62 CYS HB3 H 1 2.587 0.000 . 1 . . . . A 161 CYS HB3 . 34333 1 691 . 1 1 62 62 CYS C C 13 173.214 0.000 . 1 . . . . A 161 CYS C . 34333 1 692 . 1 1 62 62 CYS CA C 13 52.861 0.000 . 1 . . . . A 161 CYS CA . 34333 1 693 . 1 1 62 62 CYS CB C 13 45.165 0.000 . 1 . . . . A 161 CYS CB . 34333 1 694 . 1 1 62 62 CYS N N 15 117.775 0.000 . 1 . . . . A 161 CYS N . 34333 1 695 . 1 1 63 63 ARG H H 1 8.968 0.000 . 1 . . . . A 162 ARG H . 34333 1 696 . 1 1 63 63 ARG HA H 1 4.706 0.000 . 1 . . . . A 162 ARG HA . 34333 1 697 . 1 1 63 63 ARG HB2 H 1 1.863 0.000 . 2 . . . . A 162 ARG HB2 . 34333 1 698 . 1 1 63 63 ARG HB3 H 1 1.736 0.000 . 2 . . . . A 162 ARG HB3 . 34333 1 699 . 1 1 63 63 ARG HG2 H 1 1.556 0.000 . 2 . . . . A 162 ARG HG2 . 34333 1 700 . 1 1 63 63 ARG HG3 H 1 1.427 0.000 . 2 . . . . A 162 ARG HG3 . 34333 1 701 . 1 1 63 63 ARG HD2 H 1 3.129 0.000 . 2 . . . . A 162 ARG HD2 . 34333 1 702 . 1 1 63 63 ARG HD3 H 1 3.129 0.000 . 2 . . . . A 162 ARG HD3 . 34333 1 703 . 1 1 63 63 ARG C C 13 174.324 0.000 . 1 . . . . A 162 ARG C . 34333 1 704 . 1 1 63 63 ARG CA C 13 51.611 0.000 . 1 . . . . A 162 ARG CA . 34333 1 705 . 1 1 63 63 ARG CB C 13 30.547 0.000 . 1 . . . . A 162 ARG CB . 34333 1 706 . 1 1 63 63 ARG CG C 13 23.473 0.000 . 1 . . . . A 162 ARG CG . 34333 1 707 . 1 1 63 63 ARG N N 15 120.791 0.000 . 1 . . . . A 162 ARG N . 34333 1 708 . 1 1 64 64 ASP H H 1 8.599 0.000 . 1 . . . . A 163 ASP H . 34333 1 709 . 1 1 64 64 ASP HA H 1 4.817 0.000 . 1 . . . . A 163 ASP HA . 34333 1 710 . 1 1 64 64 ASP HB2 H 1 2.739 0.000 . 2 . . . . A 163 ASP HB2 . 34333 1 711 . 1 1 64 64 ASP HB3 H 1 2.472 0.000 . 2 . . . . A 163 ASP HB3 . 34333 1 712 . 1 1 64 64 ASP C C 13 176.261 0.000 . 1 . . . . A 163 ASP C . 34333 1 713 . 1 1 64 64 ASP CA C 13 52.418 0.000 . 1 . . . . A 163 ASP CA . 34333 1 714 . 1 1 64 64 ASP CB C 13 38.357 0.000 . 1 . . . . A 163 ASP CB . 34333 1 715 . 1 1 64 64 ASP N N 15 121.862 0.000 . 1 . . . . A 163 ASP N . 34333 1 716 . 1 1 65 65 SER H H 1 8.205 0.000 . 1 . . . . A 164 SER H . 34333 1 717 . 1 1 65 65 SER HA H 1 4.426 0.000 . 1 . . . . A 164 SER HA . 34333 1 718 . 1 1 65 65 SER HB2 H 1 3.828 0.000 . 2 . . . . A 164 SER HB2 . 34333 1 719 . 1 1 65 65 SER HB3 H 1 3.747 0.000 . 2 . . . . A 164 SER HB3 . 34333 1 720 . 1 1 65 65 SER C C 13 174.066 0.000 . 1 . . . . A 164 SER C . 34333 1 721 . 1 1 65 65 SER CA C 13 54.166 0.000 . 1 . . . . A 164 SER CA . 34333 1 722 . 1 1 65 65 SER CB C 13 61.053 0.000 . 1 . . . . A 164 SER CB . 34333 1 723 . 1 1 65 65 SER N N 15 116.437 0.000 . 1 . . . . A 164 SER N . 34333 1 724 . 1 1 66 66 GLU H H 1 8.753 0.000 . 1 . . . . A 165 GLU H . 34333 1 725 . 1 1 66 66 GLU HA H 1 4.041 0.000 . 1 . . . . A 165 GLU HA . 34333 1 726 . 1 1 66 66 GLU HB2 H 1 1.903 0.000 . 2 . . . . A 165 GLU HB2 . 34333 1 727 . 1 1 66 66 GLU HB3 H 1 1.903 0.000 . 2 . . . . A 165 GLU HB3 . 34333 1 728 . 1 1 66 66 GLU HG2 H 1 2.171 0.000 . 2 . . . . A 165 GLU HG2 . 34333 1 729 . 1 1 66 66 GLU HG3 H 1 2.093 0.000 . 2 . . . . A 165 GLU HG3 . 34333 1 730 . 1 1 66 66 GLU CA C 13 55.958 0.000 . 1 . . . . A 165 GLU CA . 34333 1 731 . 1 1 66 66 GLU CB C 13 26.424 0.000 . 1 . . . . A 165 GLU CB . 34333 1 732 . 1 1 66 66 GLU CG C 13 33.387 0.000 . 1 . . . . A 165 GLU CG . 34333 1 733 . 1 1 66 66 GLU N N 15 123.629 0.000 . 1 . . . . A 165 GLU N . 34333 1 734 . 1 1 67 67 HIS HA H 1 4.835 0.000 . 1 . . . . A 166 HIS HA . 34333 1 735 . 1 1 67 67 HIS HB2 H 1 2.013 0.000 . 2 . . . . A 166 HIS HB2 . 34333 1 736 . 1 1 67 67 HIS HB3 H 1 2.013 0.000 . 2 . . . . A 166 HIS HB3 . 34333 1 737 . 1 1 67 67 HIS C C 13 174.169 0.000 . 1 . . . . A 166 HIS C . 34333 1 738 . 1 1 67 67 HIS CA C 13 53.076 0.000 . 1 . . . . A 166 HIS CA . 34333 1 739 . 1 1 67 67 HIS CB C 13 26.934 0.000 . 1 . . . . A 166 HIS CB . 34333 1 740 . 1 1 68 68 GLU H H 1 8.263 0.000 . 1 . . . . A 167 GLU H . 34333 1 741 . 1 1 68 68 GLU HA H 1 4.016 0.000 . 1 . . . . A 167 GLU HA . 34333 1 742 . 1 1 68 68 GLU HB2 H 1 1.723 0.000 . 2 . . . . A 167 GLU HB2 . 34333 1 743 . 1 1 68 68 GLU HB3 H 1 1.723 0.000 . 2 . . . . A 167 GLU HB3 . 34333 1 744 . 1 1 68 68 GLU C C 13 176.540 0.000 . 1 . . . . A 167 GLU C . 34333 1 745 . 1 1 68 68 GLU CA C 13 54.885 0.000 . 1 . . . . A 167 GLU CA . 34333 1 746 . 1 1 68 68 GLU CB C 13 26.701 0.000 . 1 . . . . A 167 GLU CB . 34333 1 747 . 1 1 68 68 GLU N N 15 122.993 0.000 . 1 . . . . A 167 GLU N . 34333 1 748 . 1 1 69 69 GLY H H 1 8.471 0.000 . 1 . . . . A 168 GLY H . 34333 1 749 . 1 1 69 69 GLY HA2 H 1 4.116 0.000 . 2 . . . . A 168 GLY HA2 . 34333 1 750 . 1 1 69 69 GLY HA3 H 1 3.744 0.000 . 2 . . . . A 168 GLY HA3 . 34333 1 751 . 1 1 69 69 GLY C C 13 173.937 0.000 . 1 . . . . A 168 GLY C . 34333 1 752 . 1 1 69 69 GLY CA C 13 43.055 0.000 . 1 . . . . A 168 GLY CA . 34333 1 753 . 1 1 69 69 GLY N N 15 110.946 0.000 . 1 . . . . A 168 GLY N . 34333 1 754 . 1 1 70 70 HIS H H 1 7.762 0.000 . 1 . . . . A 169 HIS H . 34333 1 755 . 1 1 70 70 HIS HA H 1 5.411 0.000 . 1 . . . . A 169 HIS HA . 34333 1 756 . 1 1 70 70 HIS HB2 H 1 3.144 0.000 . 1 . . . . A 169 HIS HB2 . 34333 1 757 . 1 1 70 70 HIS HB3 H 1 2.836 0.000 . 1 . . . . A 169 HIS HB3 . 34333 1 758 . 1 1 70 70 HIS C C 13 174.634 0.000 . 1 . . . . A 169 HIS C . 34333 1 759 . 1 1 70 70 HIS CA C 13 50.798 0.000 . 1 . . . . A 169 HIS CA . 34333 1 760 . 1 1 70 70 HIS CB C 13 30.327 0.000 . 1 . . . . A 169 HIS CB . 34333 1 761 . 1 1 70 70 HIS N N 15 117.780 0.000 . 1 . . . . A 169 HIS N . 34333 1 762 . 1 1 71 71 LYS H H 1 9.002 0.000 . 1 . . . . A 170 LYS H . 34333 1 763 . 1 1 71 71 LYS HA H 1 4.878 0.000 . 1 . . . . A 170 LYS HA . 34333 1 764 . 1 1 71 71 LYS HB2 H 1 1.608 0.000 . 2 . . . . A 170 LYS HB2 . 34333 1 765 . 1 1 71 71 LYS HB3 H 1 1.608 0.000 . 2 . . . . A 170 LYS HB3 . 34333 1 766 . 1 1 71 71 LYS HG2 H 1 1.270 0.000 . 2 . . . . A 170 LYS HG2 . 34333 1 767 . 1 1 71 71 LYS HG3 H 1 1.270 0.000 . 2 . . . . A 170 LYS HG3 . 34333 1 768 . 1 1 71 71 LYS HD2 H 1 1.504 0.000 . 2 . . . . A 170 LYS HD2 . 34333 1 769 . 1 1 71 71 LYS HD3 H 1 1.504 0.000 . 2 . . . . A 170 LYS HD3 . 34333 1 770 . 1 1 71 71 LYS HE2 H 1 2.851 0.000 . 2 . . . . A 170 LYS HE2 . 34333 1 771 . 1 1 71 71 LYS HE3 H 1 2.851 0.000 . 2 . . . . A 170 LYS HE3 . 34333 1 772 . 1 1 71 71 LYS C C 13 173.756 0.000 . 1 . . . . A 170 LYS C . 34333 1 773 . 1 1 71 71 LYS CA C 13 52.125 0.000 . 1 . . . . A 170 LYS CA . 34333 1 774 . 1 1 71 71 LYS CB C 13 33.116 0.000 . 1 . . . . A 170 LYS CB . 34333 1 775 . 1 1 71 71 LYS CG C 13 21.760 0.000 . 1 . . . . A 170 LYS CG . 34333 1 776 . 1 1 71 71 LYS CD C 13 26.574 0.000 . 1 . . . . A 170 LYS CD . 34333 1 777 . 1 1 71 71 LYS CE C 13 39.174 0.000 . 1 . . . . A 170 LYS CE . 34333 1 778 . 1 1 71 71 LYS N N 15 123.099 0.000 . 1 . . . . A 170 LYS N . 34333 1 779 . 1 1 72 72 VAL H H 1 9.016 0.000 . 1 . . . . A 171 VAL H . 34333 1 780 . 1 1 72 72 VAL HA H 1 5.036 0.000 . 1 . . . . A 171 VAL HA . 34333 1 781 . 1 1 72 72 VAL HB H 1 1.875 0.000 . 1 . . . . A 171 VAL HB . 34333 1 782 . 1 1 72 72 VAL HG11 H 1 0.879 0.000 . 2 . . . . A 171 VAL HG11 . 34333 1 783 . 1 1 72 72 VAL HG12 H 1 0.879 0.000 . 2 . . . . A 171 VAL HG12 . 34333 1 784 . 1 1 72 72 VAL HG13 H 1 0.879 0.000 . 2 . . . . A 171 VAL HG13 . 34333 1 785 . 1 1 72 72 VAL HG21 H 1 0.759 0.000 . 2 . . . . A 171 VAL HG21 . 34333 1 786 . 1 1 72 72 VAL HG22 H 1 0.759 0.000 . 2 . . . . A 171 VAL HG22 . 34333 1 787 . 1 1 72 72 VAL HG23 H 1 0.759 0.000 . 2 . . . . A 171 VAL HG23 . 34333 1 788 . 1 1 72 72 VAL C C 13 176.351 0.000 . 1 . . . . A 171 VAL C . 34333 1 789 . 1 1 72 72 VAL CA C 13 57.612 0.000 . 1 . . . . A 171 VAL CA . 34333 1 790 . 1 1 72 72 VAL CB C 13 31.616 0.000 . 1 . . . . A 171 VAL CB . 34333 1 791 . 1 1 72 72 VAL CG1 C 13 18.121 0.000 . 1 . . . . A 171 VAL CG1 . 34333 1 792 . 1 1 72 72 VAL CG2 C 13 17.729 0.000 . 1 . . . . A 171 VAL CG2 . 34333 1 793 . 1 1 72 72 VAL N N 15 122.990 0.000 . 1 . . . . A 171 VAL N . 34333 1 794 . 1 1 73 73 CYS H H 1 9.201 0.000 . 1 . . . . A 172 CYS H . 34333 1 795 . 1 1 73 73 CYS HA H 1 5.688 0.000 . 1 . . . . A 172 CYS HA . 34333 1 796 . 1 1 73 73 CYS HB2 H 1 2.627 0.000 . 1 . . . . A 172 CYS HB2 . 34333 1 797 . 1 1 73 73 CYS HB3 H 1 2.723 0.000 . 1 . . . . A 172 CYS HB3 . 34333 1 798 . 1 1 73 73 CYS C C 13 172.930 0.000 . 1 . . . . A 172 CYS C . 34333 1 799 . 1 1 73 73 CYS CA C 13 52.420 0.000 . 1 . . . . A 172 CYS CA . 34333 1 800 . 1 1 73 73 CYS CB C 13 44.395 0.000 . 1 . . . . A 172 CYS CB . 34333 1 801 . 1 1 73 73 CYS N N 15 125.882 0.000 . 1 . . . . A 172 CYS N . 34333 1 802 . 1 1 74 74 THR H H 1 9.023 0.000 . 1 . . . . A 173 THR H . 34333 1 803 . 1 1 74 74 THR HA H 1 5.354 0.000 . 1 . . . . A 173 THR HA . 34333 1 804 . 1 1 74 74 THR HB H 1 3.961 0.000 . 1 . . . . A 173 THR HB . 34333 1 805 . 1 1 74 74 THR HG21 H 1 1.076 0.000 . 1 . . . . A 173 THR HG21 . 34333 1 806 . 1 1 74 74 THR HG22 H 1 1.076 0.000 . 1 . . . . A 173 THR HG22 . 34333 1 807 . 1 1 74 74 THR HG23 H 1 1.076 0.000 . 1 . . . . A 173 THR HG23 . 34333 1 808 . 1 1 74 74 THR C C 13 172.865 0.000 . 1 . . . . A 173 THR C . 34333 1 809 . 1 1 74 74 THR CA C 13 57.450 0.000 . 1 . . . . A 173 THR CA . 34333 1 810 . 1 1 74 74 THR CB C 13 69.000 0.000 . 1 . . . . A 173 THR CB . 34333 1 811 . 1 1 74 74 THR CG2 C 13 19.859 0.000 . 1 . . . . A 173 THR CG2 . 34333 1 812 . 1 1 74 74 THR N N 15 119.156 0.000 . 1 . . . . A 173 THR N . 34333 1 813 . 1 1 75 75 SER H H 1 9.051 0.000 . 1 . . . . A 174 SER H . 34333 1 814 . 1 1 75 75 SER HA H 1 4.762 0.000 . 1 . . . . A 174 SER HA . 34333 1 815 . 1 1 75 75 SER HB2 H 1 4.021 0.000 . 2 . . . . A 174 SER HB2 . 34333 1 816 . 1 1 75 75 SER HB3 H 1 3.547 0.000 . 2 . . . . A 174 SER HB3 . 34333 1 817 . 1 1 75 75 SER C C 13 171.923 0.000 . 1 . . . . A 174 SER C . 34333 1 818 . 1 1 75 75 SER CA C 13 53.815 0.000 . 1 . . . . A 174 SER CA . 34333 1 819 . 1 1 75 75 SER CB C 13 64.568 0.000 . 1 . . . . A 174 SER CB . 34333 1 820 . 1 1 75 75 SER N N 15 117.474 0.000 . 1 . . . . A 174 SER N . 34333 1 821 . 1 1 76 76 CYS H H 1 8.610 0.000 . 1 . . . . A 175 CYS H . 34333 1 822 . 1 1 76 76 CYS HA H 1 5.839 0.000 . 1 . . . . A 175 CYS HA . 34333 1 823 . 1 1 76 76 CYS HB2 H 1 3.132 0.000 . 1 . . . . A 175 CYS HB2 . 34333 1 824 . 1 1 76 76 CYS HB3 H 1 2.669 0.000 . 1 . . . . A 175 CYS HB3 . 34333 1 825 . 1 1 76 76 CYS C C 13 172.439 0.000 . 1 . . . . A 175 CYS C . 34333 1 826 . 1 1 76 76 CYS CA C 13 51.962 0.000 . 1 . . . . A 175 CYS CA . 34333 1 827 . 1 1 76 76 CYS CB C 13 47.590 0.000 . 1 . . . . A 175 CYS CB . 34333 1 828 . 1 1 76 76 CYS N N 15 116.278 0.000 . 1 . . . . A 175 CYS N . 34333 1 829 . 1 1 77 77 CYS H H 1 9.196 0.000 . 1 . . . . A 176 CYS H . 34333 1 830 . 1 1 77 77 CYS HA H 1 5.165 0.000 . 1 . . . . A 176 CYS HA . 34333 1 831 . 1 1 77 77 CYS HB2 H 1 3.122 0.000 . 1 . . . . A 176 CYS HB2 . 34333 1 832 . 1 1 77 77 CYS HB3 H 1 3.415 0.000 . 1 . . . . A 176 CYS HB3 . 34333 1 833 . 1 1 77 77 CYS C C 13 171.006 0.000 . 1 . . . . A 176 CYS C . 34333 1 834 . 1 1 77 77 CYS CA C 13 50.939 0.000 . 1 . . . . A 176 CYS CA . 34333 1 835 . 1 1 77 77 CYS CB C 13 41.757 0.000 . 1 . . . . A 176 CYS CB . 34333 1 836 . 1 1 77 77 CYS N N 15 115.647 0.000 . 1 . . . . A 176 CYS N . 34333 1 837 . 1 1 78 78 GLU H H 1 8.983 0.000 . 1 . . . . A 177 GLU H . 34333 1 838 . 1 1 78 78 GLU HA H 1 4.885 0.000 . 1 . . . . A 177 GLU HA . 34333 1 839 . 1 1 78 78 GLU HB2 H 1 2.074 0.000 . 2 . . . . A 177 GLU HB2 . 34333 1 840 . 1 1 78 78 GLU HB3 H 1 1.872 0.000 . 2 . . . . A 177 GLU HB3 . 34333 1 841 . 1 1 78 78 GLU HG2 H 1 2.407 0.000 . 2 . . . . A 177 GLU HG2 . 34333 1 842 . 1 1 78 78 GLU HG3 H 1 2.407 0.000 . 2 . . . . A 177 GLU HG3 . 34333 1 843 . 1 1 78 78 GLU C C 13 174.634 0.000 . 1 . . . . A 177 GLU C . 34333 1 844 . 1 1 78 78 GLU CA C 13 52.016 0.000 . 1 . . . . A 177 GLU CA . 34333 1 845 . 1 1 78 78 GLU CB C 13 30.186 0.000 . 1 . . . . A 177 GLU CB . 34333 1 846 . 1 1 78 78 GLU CG C 13 30.236 0.000 . 1 . . . . A 177 GLU CG . 34333 1 847 . 1 1 78 78 GLU N N 15 122.398 0.000 . 1 . . . . A 177 GLU N . 34333 1 848 . 1 1 79 79 GLY H H 1 8.196 0.000 . 1 . . . . A 178 GLY H . 34333 1 849 . 1 1 79 79 GLY HA2 H 1 4.398 0.000 . 2 . . . . A 178 GLY HA2 . 34333 1 850 . 1 1 79 79 GLY HA3 H 1 3.372 0.000 . 2 . . . . A 178 GLY HA3 . 34333 1 851 . 1 1 79 79 GLY C C 13 172.387 0.000 . 1 . . . . A 178 GLY C . 34333 1 852 . 1 1 79 79 GLY CA C 13 40.800 0.000 . 1 . . . . A 178 GLY CA . 34333 1 853 . 1 1 79 79 GLY N N 15 116.076 0.000 . 1 . . . . A 178 GLY N . 34333 1 854 . 1 1 80 80 ASN H H 1 8.337 0.000 . 1 . . . . A 179 ASN H . 34333 1 855 . 1 1 80 80 ASN HA H 1 4.819 0.000 . 1 . . . . A 179 ASN HA . 34333 1 856 . 1 1 80 80 ASN HB2 H 1 2.768 0.000 . 2 . . . . A 179 ASN HB2 . 34333 1 857 . 1 1 80 80 ASN HB3 H 1 2.643 0.000 . 2 . . . . A 179 ASN HB3 . 34333 1 858 . 1 1 80 80 ASN HD21 H 1 7.735 0.000 . 1 . . . . A 179 ASN HD21 . 34333 1 859 . 1 1 80 80 ASN HD22 H 1 7.107 0.000 . 1 . . . . A 179 ASN HD22 . 34333 1 860 . 1 1 80 80 ASN C C 13 175.822 0.000 . 1 . . . . A 179 ASN C . 34333 1 861 . 1 1 80 80 ASN CA C 13 53.125 0.000 . 1 . . . . A 179 ASN CA . 34333 1 862 . 1 1 80 80 ASN CB C 13 36.920 0.000 . 1 . . . . A 179 ASN CB . 34333 1 863 . 1 1 80 80 ASN N N 15 119.503 0.000 . 1 . . . . A 179 ASN N . 34333 1 864 . 1 1 80 80 ASN ND2 N 15 115.206 0.000 . 1 . . . . A 179 ASN ND2 . 34333 1 865 . 1 1 81 81 ILE H H 1 9.580 0.000 . 1 . . . . A 180 ILE H . 34333 1 866 . 1 1 81 81 ILE HA H 1 3.415 0.000 . 1 . . . . A 180 ILE HA . 34333 1 867 . 1 1 81 81 ILE HB H 1 2.012 0.000 . 1 . . . . A 180 ILE HB . 34333 1 868 . 1 1 81 81 ILE HG12 H 1 1.539 0.000 . 2 . . . . A 180 ILE HG12 . 34333 1 869 . 1 1 81 81 ILE HG13 H 1 0.630 0.000 . 2 . . . . A 180 ILE HG13 . 34333 1 870 . 1 1 81 81 ILE HG21 H 1 0.143 0.000 . 1 . . . . A 180 ILE HG21 . 34333 1 871 . 1 1 81 81 ILE HG22 H 1 0.143 0.000 . 1 . . . . A 180 ILE HG22 . 34333 1 872 . 1 1 81 81 ILE HG23 H 1 0.143 0.000 . 1 . . . . A 180 ILE HG23 . 34333 1 873 . 1 1 81 81 ILE HD11 H 1 0.703 0.000 . 1 . . . . A 180 ILE HD11 . 34333 1 874 . 1 1 81 81 ILE HD12 H 1 0.703 0.000 . 1 . . . . A 180 ILE HD12 . 34333 1 875 . 1 1 81 81 ILE HD13 H 1 0.703 0.000 . 1 . . . . A 180 ILE HD13 . 34333 1 876 . 1 1 81 81 ILE C C 13 174.944 0.000 . 1 . . . . A 180 ILE C . 34333 1 877 . 1 1 81 81 ILE CA C 13 60.352 0.000 . 1 . . . . A 180 ILE CA . 34333 1 878 . 1 1 81 81 ILE CB C 13 35.496 0.000 . 1 . . . . A 180 ILE CB . 34333 1 879 . 1 1 81 81 ILE CG1 C 13 23.789 0.000 . 1 . . . . A 180 ILE CG1 . 34333 1 880 . 1 1 81 81 ILE CG2 C 13 15.474 0.000 . 1 . . . . A 180 ILE CG2 . 34333 1 881 . 1 1 81 81 ILE CD1 C 13 11.377 0.000 . 1 . . . . A 180 ILE CD1 . 34333 1 882 . 1 1 81 81 ILE N N 15 116.483 0.000 . 1 . . . . A 180 ILE N . 34333 1 883 . 1 1 82 82 CYS H H 1 7.642 0.000 . 1 . . . . A 181 CYS H . 34333 1 884 . 1 1 82 82 CYS HA H 1 4.371 0.000 . 1 . . . . A 181 CYS HA . 34333 1 885 . 1 1 82 82 CYS HB2 H 1 3.296 0.000 . 1 . . . . A 181 CYS HB2 . 34333 1 886 . 1 1 82 82 CYS HB3 H 1 2.824 0.000 . 1 . . . . A 181 CYS HB3 . 34333 1 887 . 1 1 82 82 CYS C C 13 175.847 0.000 . 1 . . . . A 181 CYS C . 34333 1 888 . 1 1 82 82 CYS CA C 13 54.689 0.000 . 1 . . . . A 181 CYS CA . 34333 1 889 . 1 1 82 82 CYS CB C 13 39.044 0.000 . 1 . . . . A 181 CYS CB . 34333 1 890 . 1 1 82 82 CYS N N 15 113.492 0.000 . 1 . . . . A 181 CYS N . 34333 1 891 . 1 1 83 83 ASN H H 1 8.447 0.000 . 1 . . . . A 182 ASN H . 34333 1 892 . 1 1 83 83 ASN HA H 1 4.811 0.000 . 1 . . . . A 182 ASN HA . 34333 1 893 . 1 1 83 83 ASN HB2 H 1 3.260 0.000 . 2 . . . . A 182 ASN HB2 . 34333 1 894 . 1 1 83 83 ASN HB3 H 1 2.479 0.000 . 2 . . . . A 182 ASN HB3 . 34333 1 895 . 1 1 83 83 ASN HD21 H 1 6.440 0.000 . 2 . . . . A 182 ASN HD21 . 34333 1 896 . 1 1 83 83 ASN HD22 H 1 8.224 0.000 . 2 . . . . A 182 ASN HD22 . 34333 1 897 . 1 1 83 83 ASN C C 13 173.330 0.000 . 1 . . . . A 182 ASN C . 34333 1 898 . 1 1 83 83 ASN CA C 13 49.912 0.000 . 1 . . . . A 182 ASN CA . 34333 1 899 . 1 1 83 83 ASN CB C 13 33.310 0.000 . 1 . . . . A 182 ASN CB . 34333 1 900 . 1 1 83 83 ASN N N 15 121.180 0.000 . 1 . . . . A 182 ASN N . 34333 1 901 . 1 1 83 83 ASN ND2 N 15 111.074 0.000 . 1 . . . . A 182 ASN ND2 . 34333 1 902 . 1 1 84 84 LEU H H 1 7.144 0.000 . 1 . . . . A 183 LEU H . 34333 1 903 . 1 1 84 84 LEU HA H 1 3.715 0.000 . 1 . . . . A 183 LEU HA . 34333 1 904 . 1 1 84 84 LEU HB2 H 1 1.853 0.000 . 2 . . . . A 183 LEU HB2 . 34333 1 905 . 1 1 84 84 LEU HB3 H 1 1.796 0.000 . 2 . . . . A 183 LEU HB3 . 34333 1 906 . 1 1 84 84 LEU HG H 1 1.245 0.000 . 1 . . . . A 183 LEU HG . 34333 1 907 . 1 1 84 84 LEU HD11 H 1 0.708 0.000 . 2 . . . . A 183 LEU HD11 . 34333 1 908 . 1 1 84 84 LEU HD12 H 1 0.708 0.000 . 2 . . . . A 183 LEU HD12 . 34333 1 909 . 1 1 84 84 LEU HD13 H 1 0.708 0.000 . 2 . . . . A 183 LEU HD13 . 34333 1 910 . 1 1 84 84 LEU HD21 H 1 0.755 0.000 . 2 . . . . A 183 LEU HD21 . 34333 1 911 . 1 1 84 84 LEU HD22 H 1 0.755 0.000 . 2 . . . . A 183 LEU HD22 . 34333 1 912 . 1 1 84 84 LEU HD23 H 1 0.755 0.000 . 2 . . . . A 183 LEU HD23 . 34333 1 913 . 1 1 84 84 LEU CA C 13 57.821 0.000 . 1 . . . . A 183 LEU CA . 34333 1 914 . 1 1 84 84 LEU CB C 13 37.921 0.000 . 1 . . . . A 183 LEU CB . 34333 1 915 . 1 1 84 84 LEU CG C 13 24.880 0.000 . 1 . . . . A 183 LEU CG . 34333 1 916 . 1 1 84 84 LEU CD1 C 13 21.742 0.000 . 1 . . . . A 183 LEU CD1 . 34333 1 917 . 1 1 84 84 LEU CD2 C 13 22.666 0.000 . 1 . . . . A 183 LEU CD2 . 34333 1 918 . 1 1 84 84 LEU N N 15 122.736 0.000 . 1 . . . . A 183 LEU N . 34333 1 919 . 1 1 85 85 PRO HA H 1 4.437 0.000 . 1 . . . . A 184 PRO HA . 34333 1 920 . 1 1 85 85 PRO HB2 H 1 1.801 0.000 . 2 . . . . A 184 PRO HB2 . 34333 1 921 . 1 1 85 85 PRO HB3 H 1 2.008 0.000 . 2 . . . . A 184 PRO HB3 . 34333 1 922 . 1 1 85 85 PRO HG2 H 1 1.670 0.000 . 2 . . . . A 184 PRO HG2 . 34333 1 923 . 1 1 85 85 PRO HG3 H 1 1.934 0.000 . 2 . . . . A 184 PRO HG3 . 34333 1 924 . 1 1 85 85 PRO HD2 H 1 3.672 0.000 . 2 . . . . A 184 PRO HD2 . 34333 1 925 . 1 1 85 85 PRO HD3 H 1 3.633 0.000 . 2 . . . . A 184 PRO HD3 . 34333 1 926 . 1 1 85 85 PRO CA C 13 60.792 0.000 . 1 . . . . A 184 PRO CA . 34333 1 927 . 1 1 85 85 PRO CB C 13 29.452 0.000 . 1 . . . . A 184 PRO CB . 34333 1 928 . 1 1 85 85 PRO CG C 13 23.855 0.000 . 1 . . . . A 184 PRO CG . 34333 1 929 . 1 1 85 85 PRO CD C 13 46.184 0.000 . 1 . . . . A 184 PRO CD . 34333 1 930 . 1 1 86 86 LEU H H 1 7.901 0.000 . 1 . . . . A 185 LEU H . 34333 1 931 . 1 1 86 86 LEU HA H 1 4.514 0.000 . 1 . . . . A 185 LEU HA . 34333 1 932 . 1 1 86 86 LEU HB2 H 1 0.620 0.000 . 2 . . . . A 185 LEU HB2 . 34333 1 933 . 1 1 86 86 LEU HB3 H 1 1.096 0.000 . 2 . . . . A 185 LEU HB3 . 34333 1 934 . 1 1 86 86 LEU HG H 1 1.006 0.000 . 1 . . . . A 185 LEU HG . 34333 1 935 . 1 1 86 86 LEU HD11 H 1 0.269 0.000 . 2 . . . . A 185 LEU HD11 . 34333 1 936 . 1 1 86 86 LEU HD12 H 1 0.269 0.000 . 2 . . . . A 185 LEU HD12 . 34333 1 937 . 1 1 86 86 LEU HD13 H 1 0.269 0.000 . 2 . . . . A 185 LEU HD13 . 34333 1 938 . 1 1 86 86 LEU HD21 H 1 0.124 0.000 . 2 . . . . A 185 LEU HD21 . 34333 1 939 . 1 1 86 86 LEU HD22 H 1 0.124 0.000 . 2 . . . . A 185 LEU HD22 . 34333 1 940 . 1 1 86 86 LEU HD23 H 1 0.124 0.000 . 2 . . . . A 185 LEU HD23 . 34333 1 941 . 1 1 86 86 LEU CA C 13 48.367 0.000 . 1 . . . . A 185 LEU CA . 34333 1 942 . 1 1 86 86 LEU CB C 13 39.976 0.000 . 1 . . . . A 185 LEU CB . 34333 1 943 . 1 1 86 86 LEU CG C 13 22.733 0.000 . 1 . . . . A 185 LEU CG . 34333 1 944 . 1 1 86 86 LEU CD1 C 13 22.275 0.000 . 1 . . . . A 185 LEU CD1 . 34333 1 945 . 1 1 86 86 LEU CD2 C 13 22.521 0.000 . 1 . . . . A 185 LEU CD2 . 34333 1 946 . 1 1 86 86 LEU N N 15 116.055 0.000 . 1 . . . . A 185 LEU N . 34333 1 947 . 1 1 87 87 PRO HA H 1 4.349 0.000 . 1 . . . . A 186 PRO HA . 34333 1 948 . 1 1 87 87 PRO HB2 H 1 1.840 0.000 . 2 . . . . A 186 PRO HB2 . 34333 1 949 . 1 1 87 87 PRO HB3 H 1 2.215 0.000 . 2 . . . . A 186 PRO HB3 . 34333 1 950 . 1 1 87 87 PRO HG2 H 1 1.951 0.000 . 2 . . . . A 186 PRO HG2 . 34333 1 951 . 1 1 87 87 PRO HG3 H 1 1.951 0.000 . 2 . . . . A 186 PRO HG3 . 34333 1 952 . 1 1 87 87 PRO HD2 H 1 3.752 0.000 . 2 . . . . A 186 PRO HD2 . 34333 1 953 . 1 1 87 87 PRO HD3 H 1 3.547 0.000 . 2 . . . . A 186 PRO HD3 . 34333 1 954 . 1 1 87 87 PRO C C 13 176.312 0.000 . 1 . . . . A 186 PRO C . 34333 1 955 . 1 1 87 87 PRO CA C 13 60.206 0.000 . 1 . . . . A 186 PRO CA . 34333 1 956 . 1 1 87 87 PRO CB C 13 29.198 0.000 . 1 . . . . A 186 PRO CB . 34333 1 957 . 1 1 87 87 PRO CG C 13 24.614 0.000 . 1 . . . . A 186 PRO CG . 34333 1 958 . 1 1 87 87 PRO CD C 13 47.735 0.000 . 1 . . . . A 186 PRO CD . 34333 1 959 . 1 1 88 88 ARG H H 1 8.351 0.000 . 1 . . . . A 187 ARG H . 34333 1 960 . 1 1 88 88 ARG HA H 1 4.268 0.000 . 1 . . . . A 187 ARG HA . 34333 1 961 . 1 1 88 88 ARG HB2 H 1 1.782 0.000 . 2 . . . . A 187 ARG HB2 . 34333 1 962 . 1 1 88 88 ARG HB3 H 1 1.782 0.000 . 2 . . . . A 187 ARG HB3 . 34333 1 963 . 1 1 88 88 ARG HG2 H 1 1.703 0.000 . 2 . . . . A 187 ARG HG2 . 34333 1 964 . 1 1 88 88 ARG HG3 H 1 1.583 0.000 . 2 . . . . A 187 ARG HG3 . 34333 1 965 . 1 1 88 88 ARG HD2 H 1 3.146 0.000 . 2 . . . . A 187 ARG HD2 . 34333 1 966 . 1 1 88 88 ARG HD3 H 1 3.146 0.000 . 2 . . . . A 187 ARG HD3 . 34333 1 967 . 1 1 88 88 ARG C C 13 175.589 0.000 . 1 . . . . A 187 ARG C . 34333 1 968 . 1 1 88 88 ARG CA C 13 53.216 0.000 . 1 . . . . A 187 ARG CA . 34333 1 969 . 1 1 88 88 ARG CB C 13 28.301 0.000 . 1 . . . . A 187 ARG CB . 34333 1 970 . 1 1 88 88 ARG N N 15 121.347 0.000 . 1 . . . . A 187 ARG N . 34333 1 971 . 1 1 89 89 ASN H H 1 8.494 0.000 . 1 . . . . A 188 ASN H . 34333 1 972 . 1 1 89 89 ASN HA H 1 4.701 0.000 . 1 . . . . A 188 ASN HA . 34333 1 973 . 1 1 89 89 ASN HB2 H 1 2.783 0.000 . 2 . . . . A 188 ASN HB2 . 34333 1 974 . 1 1 89 89 ASN HB3 H 1 2.713 0.000 . 2 . . . . A 188 ASN HB3 . 34333 1 975 . 1 1 89 89 ASN HD21 H 1 7.570 0.000 . 1 . . . . A 188 ASN HD21 . 34333 1 976 . 1 1 89 89 ASN HD22 H 1 6.857 0.000 . 1 . . . . A 188 ASN HD22 . 34333 1 977 . 1 1 89 89 ASN C C 13 174.957 0.000 . 1 . . . . A 188 ASN C . 34333 1 978 . 1 1 89 89 ASN CA C 13 50.417 0.000 . 1 . . . . A 188 ASN CA . 34333 1 979 . 1 1 89 89 ASN CB C 13 36.268 0.000 . 1 . . . . A 188 ASN CB . 34333 1 980 . 1 1 89 89 ASN N N 15 120.245 0.000 . 1 . . . . A 188 ASN N . 34333 1 981 . 1 1 89 89 ASN ND2 N 15 112.950 0.000 . 1 . . . . A 188 ASN ND2 . 34333 1 982 . 1 1 90 90 GLU H H 1 8.531 0.000 . 1 . . . . A 189 GLU H . 34333 1 983 . 1 1 90 90 GLU HA H 1 4.276 0.000 . 1 . . . . A 189 GLU HA . 34333 1 984 . 1 1 90 90 GLU HB2 H 1 2.052 0.000 . 2 . . . . A 189 GLU HB2 . 34333 1 985 . 1 1 90 90 GLU HB3 H 1 1.895 0.000 . 2 . . . . A 189 GLU HB3 . 34333 1 986 . 1 1 90 90 GLU HG2 H 1 2.230 0.000 . 2 . . . . A 189 GLU HG2 . 34333 1 987 . 1 1 90 90 GLU HG3 H 1 2.230 0.000 . 2 . . . . A 189 GLU HG3 . 34333 1 988 . 1 1 90 90 GLU C C 13 176.351 0.000 . 1 . . . . A 189 GLU C . 34333 1 989 . 1 1 90 90 GLU CA C 13 54.354 0.000 . 1 . . . . A 189 GLU CA . 34333 1 990 . 1 1 90 90 GLU CB C 13 27.410 0.000 . 1 . . . . A 189 GLU CB . 34333 1 991 . 1 1 90 90 GLU CG C 13 33.570 0.000 . 1 . . . . A 189 GLU CG . 34333 1 992 . 1 1 90 90 GLU N N 15 121.539 0.000 . 1 . . . . A 189 GLU N . 34333 1 993 . 1 1 91 91 THR H H 1 8.076 0.000 . 1 . . . . A 190 THR H . 34333 1 994 . 1 1 91 91 THR HA H 1 4.276 0.000 . 1 . . . . A 190 THR HA . 34333 1 995 . 1 1 91 91 THR HB H 1 4.201 0.000 . 1 . . . . A 190 THR HB . 34333 1 996 . 1 1 91 91 THR HG21 H 1 1.144 0.000 . 1 . . . . A 190 THR HG21 . 34333 1 997 . 1 1 91 91 THR HG22 H 1 1.144 0.000 . 1 . . . . A 190 THR HG22 . 34333 1 998 . 1 1 91 91 THR HG23 H 1 1.144 0.000 . 1 . . . . A 190 THR HG23 . 34333 1 999 . 1 1 91 91 THR C C 13 173.975 0.000 . 1 . . . . A 190 THR C . 34333 1 1000 . 1 1 91 91 THR CA C 13 59.303 0.000 . 1 . . . . A 190 THR CA . 34333 1 1001 . 1 1 91 91 THR CB C 13 66.993 0.000 . 1 . . . . A 190 THR CB . 34333 1 1002 . 1 1 91 91 THR CG2 C 13 18.787 0.000 . 1 . . . . A 190 THR CG2 . 34333 1 1003 . 1 1 91 91 THR N N 15 113.455 0.000 . 1 . . . . A 190 THR N . 34333 1 1004 . 1 1 92 92 ASP H H 1 8.172 0.000 . 1 . . . . A 191 ASP H . 34333 1 1005 . 1 1 92 92 ASP HA H 1 4.541 0.000 . 1 . . . . A 191 ASP HA . 34333 1 1006 . 1 1 92 92 ASP HB2 H 1 2.659 0.000 . 2 . . . . A 191 ASP HB2 . 34333 1 1007 . 1 1 92 92 ASP HB3 H 1 2.600 0.000 . 2 . . . . A 191 ASP HB3 . 34333 1 1008 . 1 1 92 92 ASP C C 13 175.628 0.000 . 1 . . . . A 191 ASP C . 34333 1 1009 . 1 1 92 92 ASP CA C 13 51.690 0.000 . 1 . . . . A 191 ASP CA . 34333 1 1010 . 1 1 92 92 ASP CB C 13 38.450 0.000 . 1 . . . . A 191 ASP CB . 34333 1 1011 . 1 1 92 92 ASP N N 15 122.675 0.000 . 1 . . . . A 191 ASP N . 34333 1 1012 . 1 1 93 93 ALA H H 1 8.160 0.000 . 1 . . . . A 192 ALA H . 34333 1 1013 . 1 1 93 93 ALA HA H 1 4.263 0.000 . 1 . . . . A 192 ALA HA . 34333 1 1014 . 1 1 93 93 ALA HB1 H 1 1.287 0.000 . 1 . . . . A 192 ALA HB1 . 34333 1 1015 . 1 1 93 93 ALA HB2 H 1 1.287 0.000 . 1 . . . . A 192 ALA HB2 . 34333 1 1016 . 1 1 93 93 ALA HB3 H 1 1.287 0.000 . 1 . . . . A 192 ALA HB3 . 34333 1 1017 . 1 1 93 93 ALA C C 13 177.281 0.000 . 1 . . . . A 192 ALA C . 34333 1 1018 . 1 1 93 93 ALA CA C 13 49.871 0.000 . 1 . . . . A 192 ALA CA . 34333 1 1019 . 1 1 93 93 ALA CB C 13 16.478 0.000 . 1 . . . . A 192 ALA CB . 34333 1 1020 . 1 1 93 93 ALA N N 15 124.538 0.000 . 1 . . . . A 192 ALA N . 34333 1 1021 . 1 1 94 94 THR H H 1 8.018 0.000 . 1 . . . . A 193 THR H . 34333 1 1022 . 1 1 94 94 THR HA H 1 4.154 0.000 . 1 . . . . A 193 THR HA . 34333 1 1023 . 1 1 94 94 THR HB H 1 4.026 0.000 . 1 . . . . A 193 THR HB . 34333 1 1024 . 1 1 94 94 THR HG1 H 1 1.388 0.000 . 1 . . . . A 193 THR HG1 . 34333 1 1025 . 1 1 94 94 THR HG21 H 1 1.044 0.000 . 1 . . . . A 193 THR HG21 . 34333 1 1026 . 1 1 94 94 THR HG22 H 1 1.044 0.000 . 1 . . . . A 193 THR HG22 . 34333 1 1027 . 1 1 94 94 THR HG23 H 1 1.044 0.000 . 1 . . . . A 193 THR HG23 . 34333 1 1028 . 1 1 94 94 THR C C 13 173.808 0.000 . 1 . . . . A 193 THR C . 34333 1 1029 . 1 1 94 94 THR CA C 13 59.439 0.000 . 1 . . . . A 193 THR CA . 34333 1 1030 . 1 1 94 94 THR CB C 13 67.065 0.000 . 1 . . . . A 193 THR CB . 34333 1 1031 . 1 1 94 94 THR CG2 C 13 18.442 0.000 . 1 . . . . A 193 THR CG2 . 34333 1 1032 . 1 1 94 94 THR N N 15 113.140 0.000 . 1 . . . . A 193 THR N . 34333 1 1033 . 1 1 95 95 PHE H H 1 8.063 0.000 . 1 . . . . A 194 PHE H . 34333 1 1034 . 1 1 95 95 PHE HA H 1 4.599 0.000 . 1 . . . . A 194 PHE HA . 34333 1 1035 . 1 1 95 95 PHE HB2 H 1 3.148 0.000 . 2 . . . . A 194 PHE HB2 . 34333 1 1036 . 1 1 95 95 PHE HB3 H 1 2.917 0.000 . 2 . . . . A 194 PHE HB3 . 34333 1 1037 . 1 1 95 95 PHE HD1 H 1 7.200 0.000 . 1 . . . . A 194 PHE HD1 . 34333 1 1038 . 1 1 95 95 PHE HD2 H 1 7.200 0.000 . 1 . . . . A 194 PHE HD2 . 34333 1 1039 . 1 1 95 95 PHE HE1 H 1 7.438 0.000 . 1 . . . . A 194 PHE HE1 . 34333 1 1040 . 1 1 95 95 PHE HE2 H 1 7.438 0.000 . 1 . . . . A 194 PHE HE2 . 34333 1 1041 . 1 1 95 95 PHE C C 13 173.911 0.000 . 1 . . . . A 194 PHE C . 34333 1 1042 . 1 1 95 95 PHE CA C 13 54.801 0.000 . 1 . . . . A 194 PHE CA . 34333 1 1043 . 1 1 95 95 PHE CB C 13 36.893 0.000 . 1 . . . . A 194 PHE CB . 34333 1 1044 . 1 1 95 95 PHE CD1 C 13 129.863 0.000 . 1 . . . . A 194 PHE CD1 . 34333 1 1045 . 1 1 95 95 PHE CE1 C 13 131.236 0.000 . 1 . . . . A 194 PHE CE1 . 34333 1 1046 . 1 1 95 95 PHE N N 15 122.236 0.000 . 1 . . . . A 194 PHE N . 34333 1 1047 . 1 1 96 96 ALA H H 1 7.712 0.000 . 1 . . . . A 195 ALA H . 34333 1 1048 . 1 1 96 96 ALA HA H 1 4.049 0.000 . 1 . . . . A 195 ALA HA . 34333 1 1049 . 1 1 96 96 ALA HB1 H 1 1.259 0.000 . 1 . . . . A 195 ALA HB1 . 34333 1 1050 . 1 1 96 96 ALA HB2 H 1 1.259 0.000 . 1 . . . . A 195 ALA HB2 . 34333 1 1051 . 1 1 96 96 ALA HB3 H 1 1.259 0.000 . 1 . . . . A 195 ALA HB3 . 34333 1 1052 . 1 1 96 96 ALA CA C 13 51.071 0.000 . 1 . . . . A 195 ALA CA . 34333 1 1053 . 1 1 96 96 ALA CB C 13 17.662 0.000 . 1 . . . . A 195 ALA CB . 34333 1 1054 . 1 1 96 96 ALA N N 15 130.700 0.000 . 1 . . . . A 195 ALA N . 34333 1 stop_ save_