data_52443 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52443 _Entry.Title ; Convergent evolution of intrinsically disordered regions in vertebrate galectins for liquid-liquid phase separation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-05-05 _Entry.Accession_date 2024-05-05 _Entry.Last_release_date 2024-05-06 _Entry.Original_release_date 2024-05-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yu-Chen Chen . . . . 52443 2 Yu-Hao Lin . . . . 52443 3 Jie-rong Huang . . . . 52443 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52443 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 360 52443 '15N chemical shifts' 127 52443 '1H chemical shifts' 127 52443 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 . . 2026-01-05 . original BMRB . 52443 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52443 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Convergent evolution of intrinsically disordered regions in vertebrate galectins for liquid-liquid phase separation ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Yu-Chen Chen . . . . 52443 1 2 Yu-Hao Lin . . . . 52443 1 3 Jie-rong Huang . . . . 52443 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52443 _Assembly.ID 1 _Assembly.Name 'zebrafish galectin' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'zebrafish galectin' 1 $entity_1 . . yes native no no . . . 52443 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52443 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QVLTVPLDFPLQNGAYNKML ITINGEVKPNAKQFTVNLRR GNDIAFHINPRFSEGGKPVI VRNSMIGNNWGREERELPSF PFVPGKPFEMKILITDTEYK VAVNKSHLLEFKHRVFELNQ ITGLSIYNDVTLSTVNVETL Q ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 141 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 88 GLN . 52443 1 2 89 VAL . 52443 1 3 90 LEU . 52443 1 4 91 THR . 52443 1 5 92 VAL . 52443 1 6 93 PRO . 52443 1 7 94 LEU . 52443 1 8 95 ASP . 52443 1 9 96 PHE . 52443 1 10 97 PRO . 52443 1 11 98 LEU . 52443 1 12 99 GLN . 52443 1 13 100 ASN . 52443 1 14 101 GLY . 52443 1 15 102 ALA . 52443 1 16 103 TYR . 52443 1 17 104 ASN . 52443 1 18 105 LYS . 52443 1 19 106 MET . 52443 1 20 107 LEU . 52443 1 21 108 ILE . 52443 1 22 109 THR . 52443 1 23 110 ILE . 52443 1 24 111 ASN . 52443 1 25 112 GLY . 52443 1 26 113 GLU . 52443 1 27 114 VAL . 52443 1 28 115 LYS . 52443 1 29 116 PRO . 52443 1 30 117 ASN . 52443 1 31 118 ALA . 52443 1 32 119 LYS . 52443 1 33 120 GLN . 52443 1 34 121 PHE . 52443 1 35 122 THR . 52443 1 36 123 VAL . 52443 1 37 124 ASN . 52443 1 38 125 LEU . 52443 1 39 126 ARG . 52443 1 40 127 ARG . 52443 1 41 128 GLY . 52443 1 42 129 ASN . 52443 1 43 130 ASP . 52443 1 44 131 ILE . 52443 1 45 132 ALA . 52443 1 46 133 PHE . 52443 1 47 134 HIS . 52443 1 48 135 ILE . 52443 1 49 136 ASN . 52443 1 50 137 PRO . 52443 1 51 138 ARG . 52443 1 52 139 PHE . 52443 1 53 140 SER . 52443 1 54 141 GLU . 52443 1 55 142 GLY . 52443 1 56 143 GLY . 52443 1 57 144 LYS . 52443 1 58 145 PRO . 52443 1 59 146 VAL . 52443 1 60 147 ILE . 52443 1 61 148 VAL . 52443 1 62 149 ARG . 52443 1 63 150 ASN . 52443 1 64 151 SER . 52443 1 65 152 MET . 52443 1 66 153 ILE . 52443 1 67 154 GLY . 52443 1 68 155 ASN . 52443 1 69 156 ASN . 52443 1 70 157 TRP . 52443 1 71 158 GLY . 52443 1 72 159 ARG . 52443 1 73 160 GLU . 52443 1 74 161 GLU . 52443 1 75 162 ARG . 52443 1 76 163 GLU . 52443 1 77 164 LEU . 52443 1 78 165 PRO . 52443 1 79 166 SER . 52443 1 80 167 PHE . 52443 1 81 168 PRO . 52443 1 82 169 PHE . 52443 1 83 170 VAL . 52443 1 84 171 PRO . 52443 1 85 172 GLY . 52443 1 86 173 LYS . 52443 1 87 174 PRO . 52443 1 88 175 PHE . 52443 1 89 176 GLU . 52443 1 90 177 MET . 52443 1 91 178 LYS . 52443 1 92 179 ILE . 52443 1 93 180 LEU . 52443 1 94 181 ILE . 52443 1 95 182 THR . 52443 1 96 183 ASP . 52443 1 97 184 THR . 52443 1 98 185 GLU . 52443 1 99 186 TYR . 52443 1 100 187 LYS . 52443 1 101 188 VAL . 52443 1 102 189 ALA . 52443 1 103 190 VAL . 52443 1 104 191 ASN . 52443 1 105 192 LYS . 52443 1 106 193 SER . 52443 1 107 194 HIS . 52443 1 108 195 LEU . 52443 1 109 196 LEU . 52443 1 110 197 GLU . 52443 1 111 198 PHE . 52443 1 112 199 LYS . 52443 1 113 200 HIS . 52443 1 114 201 ARG . 52443 1 115 202 VAL . 52443 1 116 203 PHE . 52443 1 117 204 GLU . 52443 1 118 205 LEU . 52443 1 119 206 ASN . 52443 1 120 207 GLN . 52443 1 121 208 ILE . 52443 1 122 209 THR . 52443 1 123 210 GLY . 52443 1 124 211 LEU . 52443 1 125 212 SER . 52443 1 126 213 ILE . 52443 1 127 214 TYR . 52443 1 128 215 ASN . 52443 1 129 216 ASP . 52443 1 130 217 VAL . 52443 1 131 218 THR . 52443 1 132 219 LEU . 52443 1 133 220 SER . 52443 1 134 221 THR . 52443 1 135 222 VAL . 52443 1 136 223 ASN . 52443 1 137 224 VAL . 52443 1 138 225 GLU . 52443 1 139 226 THR . 52443 1 140 227 LEU . 52443 1 141 228 GLN . 52443 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLN 1 1 52443 1 . VAL 2 2 52443 1 . LEU 3 3 52443 1 . THR 4 4 52443 1 . VAL 5 5 52443 1 . PRO 6 6 52443 1 . LEU 7 7 52443 1 . ASP 8 8 52443 1 . PHE 9 9 52443 1 . PRO 10 10 52443 1 . LEU 11 11 52443 1 . GLN 12 12 52443 1 . ASN 13 13 52443 1 . GLY 14 14 52443 1 . ALA 15 15 52443 1 . TYR 16 16 52443 1 . ASN 17 17 52443 1 . LYS 18 18 52443 1 . MET 19 19 52443 1 . LEU 20 20 52443 1 . ILE 21 21 52443 1 . THR 22 22 52443 1 . ILE 23 23 52443 1 . ASN 24 24 52443 1 . GLY 25 25 52443 1 . GLU 26 26 52443 1 . VAL 27 27 52443 1 . LYS 28 28 52443 1 . PRO 29 29 52443 1 . ASN 30 30 52443 1 . ALA 31 31 52443 1 . LYS 32 32 52443 1 . GLN 33 33 52443 1 . PHE 34 34 52443 1 . THR 35 35 52443 1 . VAL 36 36 52443 1 . ASN 37 37 52443 1 . LEU 38 38 52443 1 . ARG 39 39 52443 1 . ARG 40 40 52443 1 . GLY 41 41 52443 1 . ASN 42 42 52443 1 . ASP 43 43 52443 1 . ILE 44 44 52443 1 . ALA 45 45 52443 1 . PHE 46 46 52443 1 . HIS 47 47 52443 1 . ILE 48 48 52443 1 . ASN 49 49 52443 1 . PRO 50 50 52443 1 . ARG 51 51 52443 1 . PHE 52 52 52443 1 . SER 53 53 52443 1 . GLU 54 54 52443 1 . GLY 55 55 52443 1 . GLY 56 56 52443 1 . LYS 57 57 52443 1 . PRO 58 58 52443 1 . VAL 59 59 52443 1 . ILE 60 60 52443 1 . VAL 61 61 52443 1 . ARG 62 62 52443 1 . ASN 63 63 52443 1 . SER 64 64 52443 1 . MET 65 65 52443 1 . ILE 66 66 52443 1 . GLY 67 67 52443 1 . ASN 68 68 52443 1 . ASN 69 69 52443 1 . TRP 70 70 52443 1 . GLY 71 71 52443 1 . ARG 72 72 52443 1 . GLU 73 73 52443 1 . GLU 74 74 52443 1 . ARG 75 75 52443 1 . GLU 76 76 52443 1 . LEU 77 77 52443 1 . PRO 78 78 52443 1 . SER 79 79 52443 1 . PHE 80 80 52443 1 . PRO 81 81 52443 1 . PHE 82 82 52443 1 . VAL 83 83 52443 1 . PRO 84 84 52443 1 . GLY 85 85 52443 1 . LYS 86 86 52443 1 . PRO 87 87 52443 1 . PHE 88 88 52443 1 . GLU 89 89 52443 1 . MET 90 90 52443 1 . LYS 91 91 52443 1 . ILE 92 92 52443 1 . LEU 93 93 52443 1 . ILE 94 94 52443 1 . THR 95 95 52443 1 . ASP 96 96 52443 1 . THR 97 97 52443 1 . GLU 98 98 52443 1 . TYR 99 99 52443 1 . LYS 100 100 52443 1 . VAL 101 101 52443 1 . ALA 102 102 52443 1 . VAL 103 103 52443 1 . ASN 104 104 52443 1 . LYS 105 105 52443 1 . SER 106 106 52443 1 . HIS 107 107 52443 1 . LEU 108 108 52443 1 . LEU 109 109 52443 1 . GLU 110 110 52443 1 . PHE 111 111 52443 1 . LYS 112 112 52443 1 . HIS 113 113 52443 1 . ARG 114 114 52443 1 . VAL 115 115 52443 1 . PHE 116 116 52443 1 . GLU 117 117 52443 1 . LEU 118 118 52443 1 . ASN 119 119 52443 1 . GLN 120 120 52443 1 . ILE 121 121 52443 1 . THR 122 122 52443 1 . GLY 123 123 52443 1 . LEU 124 124 52443 1 . SER 125 125 52443 1 . ILE 126 126 52443 1 . TYR 127 127 52443 1 . ASN 128 128 52443 1 . ASP 129 129 52443 1 . VAL 130 130 52443 1 . THR 131 131 52443 1 . LEU 132 132 52443 1 . SER 133 133 52443 1 . THR 134 134 52443 1 . VAL 135 135 52443 1 . ASN 136 136 52443 1 . VAL 137 137 52443 1 . GLU 138 138 52443 1 . THR 139 139 52443 1 . LEU 140 140 52443 1 . GLN 141 141 52443 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52443 _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 . 7955 organism . 'Danio rerio' zebrafish . . Eukaryota Metazoa Danio rerio . . . . . . . . . . . . . 52443 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52443 _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' . . . Escherichia coli . . . plasmid . . pHD . . . 52443 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52443 _Sample.ID 1 _Sample.Name 'zebrafish galectin' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'zebrafish galectin' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 100 . . uM . . . . 52443 1 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 52443 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 52443 1 pH 6.8 . pH 52443 1 pressure 1 . atm 52443 1 temperature 303 . K 52443 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52443 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' . 52443 1 'data analysis' . 52443 1 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 52443 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVIII 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52443 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52443 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52443 1 3 '3D HNCACO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52443 1 4 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52443 1 5 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52443 1 6 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52443 1 7 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52443 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 52443 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name standard _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52443 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52443 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52443 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 52443 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'zebrafish galectin' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52443 1 2 '3D HNCO' . . . 52443 1 3 '3D HNCACO' . . . 52443 1 4 '3D HNCA' . . . 52443 1 5 '3D HN(CO)CA' . . . 52443 1 6 '3D CBCA(CO)NH' . . . 52443 1 7 '3D HNCACB' . . . 52443 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52443 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLN H H 1 8.544 . . . . . . . . 88 Q H . 52443 1 2 . 1 . 1 1 1 GLN C C 13 176.689 . . . . . . . . 88 Q CO . 52443 1 3 . 1 . 1 1 1 GLN CA C 13 56.153 . . . . . . . . 88 Q CA . 52443 1 4 . 1 . 1 1 1 GLN CB C 13 29.926 . . . . . . . . 88 Q CB . 52443 1 5 . 1 . 1 1 1 GLN N N 15 120.937 . . . . . . . . 88 Q N . 52443 1 6 . 1 . 1 2 2 VAL H H 1 8.200 . . . . . . . . 89 V H . 52443 1 7 . 1 . 1 2 2 VAL C C 13 176.810 . . . . . . . . 89 V CO . 52443 1 8 . 1 . 1 2 2 VAL CA C 13 62.241 . . . . . . . . 89 V CA . 52443 1 9 . 1 . 1 2 2 VAL CB C 13 33.104 . . . . . . . . 89 V CB . 52443 1 10 . 1 . 1 2 2 VAL N N 15 121.702 . . . . . . . . 89 V N . 52443 1 11 . 1 . 1 3 3 LEU H H 1 8.604 . . . . . . . . 90 L H . 52443 1 12 . 1 . 1 3 3 LEU C C 13 176.815 . . . . . . . . 90 L CO . 52443 1 13 . 1 . 1 3 3 LEU CA C 13 53.859 . . . . . . . . 90 L CA . 52443 1 14 . 1 . 1 3 3 LEU CB C 13 42.813 . . . . . . . . 90 L CB . 52443 1 15 . 1 . 1 3 3 LEU N N 15 126.967 . . . . . . . . 90 L N . 52443 1 16 . 1 . 1 4 4 THR H H 1 7.734 . . . . . . . . 91 T H . 52443 1 17 . 1 . 1 4 4 THR C C 13 172.722 . . . . . . . . 91 T CO . 52443 1 18 . 1 . 1 4 4 THR CA C 13 61.645 . . . . . . . . 91 T CA . 52443 1 19 . 1 . 1 4 4 THR CB C 13 70.418 . . . . . . . . 91 T CB . 52443 1 20 . 1 . 1 4 4 THR N N 15 115.869 . . . . . . . . 91 T N . 52443 1 21 . 1 . 1 5 5 VAL H H 1 7.978 . . . . . . . . 92 V H . 52443 1 22 . 1 . 1 5 5 VAL CA C 13 59.790 . . . . . . . . 92 V CA . 52443 1 23 . 1 . 1 5 5 VAL CB C 13 34.310 . . . . . . . . 92 V CB . 52443 1 24 . 1 . 1 5 5 VAL N N 15 121.918 . . . . . . . . 92 V N . 52443 1 25 . 1 . 1 7 7 LEU H H 1 8.803 . . . . . . . . 94 L H . 52443 1 26 . 1 . 1 7 7 LEU C C 13 175.974 . . . . . . . . 94 L CO . 52443 1 27 . 1 . 1 7 7 LEU CA C 13 53.947 . . . . . . . . 94 L CA . 52443 1 28 . 1 . 1 7 7 LEU CB C 13 45.310 . . . . . . . . 94 L CB . 52443 1 29 . 1 . 1 7 7 LEU N N 15 127.045 . . . . . . . . 94 L N . 52443 1 30 . 1 . 1 8 8 ASP H H 1 8.820 . . . . . . . . 95 D H . 52443 1 31 . 1 . 1 8 8 ASP C C 13 174.727 . . . . . . . . 95 D CO . 52443 1 32 . 1 . 1 8 8 ASP CA C 13 54.013 . . . . . . . . 95 D CA . 52443 1 33 . 1 . 1 8 8 ASP CB C 13 42.674 . . . . . . . . 95 D CB . 52443 1 34 . 1 . 1 8 8 ASP N N 15 126.511 . . . . . . . . 95 D N . 52443 1 35 . 1 . 1 9 9 PHE H H 1 9.585 . . . . . . . . 96 F H . 52443 1 36 . 1 . 1 9 9 PHE CA C 13 54.165 . . . . . . . . 96 F CA . 52443 1 37 . 1 . 1 9 9 PHE CB C 13 41.883 . . . . . . . . 96 F CB . 52443 1 38 . 1 . 1 9 9 PHE N N 15 128.391 . . . . . . . . 96 F N . 52443 1 39 . 1 . 1 11 11 LEU H H 1 7.792 . . . . . . . . 98 L H . 52443 1 40 . 1 . 1 11 11 LEU C C 13 178.327 . . . . . . . . 98 L CO . 52443 1 41 . 1 . 1 11 11 LEU CA C 13 52.758 . . . . . . . . 98 L CA . 52443 1 42 . 1 . 1 11 11 LEU CB C 13 40.742 . . . . . . . . 98 L CB . 52443 1 43 . 1 . 1 11 11 LEU N N 15 122.887 . . . . . . . . 98 L N . 52443 1 44 . 1 . 1 12 12 GLN H H 1 8.578 . . . . . . . . 99 Q H . 52443 1 45 . 1 . 1 12 12 GLN C C 13 177.674 . . . . . . . . 99 Q CO . 52443 1 46 . 1 . 1 12 12 GLN CA C 13 59.130 . . . . . . . . 99 Q CA . 52443 1 47 . 1 . 1 12 12 GLN CB C 13 28.915 . . . . . . . . 99 Q CB . 52443 1 48 . 1 . 1 12 12 GLN N N 15 121.712 . . . . . . . . 99 Q N . 52443 1 49 . 1 . 1 13 13 ASN H H 1 9.019 . . . . . . . . 100 N H . 52443 1 50 . 1 . 1 13 13 ASN C C 13 176.214 . . . . . . . . 100 N CO . 52443 1 51 . 1 . 1 13 13 ASN CA C 13 52.887 . . . . . . . . 100 N CA . 52443 1 52 . 1 . 1 13 13 ASN CB C 13 39.492 . . . . . . . . 100 N CB . 52443 1 53 . 1 . 1 13 13 ASN N N 15 117.222 . . . . . . . . 100 N N . 52443 1 54 . 1 . 1 14 14 GLY H H 1 7.794 . . . . . . . . 101 G H . 52443 1 55 . 1 . 1 14 14 GLY C C 13 172.675 . . . . . . . . 101 G CO . 52443 1 56 . 1 . 1 14 14 GLY CA C 13 45.087 . . . . . . . . 101 G CA . 52443 1 57 . 1 . 1 14 14 GLY N N 15 107.700 . . . . . . . . 101 G N . 52443 1 58 . 1 . 1 15 15 ALA H H 1 7.522 . . . . . . . . 102 A H . 52443 1 59 . 1 . 1 15 15 ALA CA C 13 50.246 . . . . . . . . 102 A CA . 52443 1 60 . 1 . 1 15 15 ALA CB C 13 21.282 . . . . . . . . 102 A CB . 52443 1 61 . 1 . 1 15 15 ALA N N 15 118.940 . . . . . . . . 102 A N . 52443 1 62 . 1 . 1 17 17 ASN H H 1 8.639 . . . . . . . . 104 N H . 52443 1 63 . 1 . 1 17 17 ASN C C 13 176.066 . . . . . . . . 104 N CO . 52443 1 64 . 1 . 1 17 17 ASN CA C 13 54.681 . . . . . . . . 104 N CA . 52443 1 65 . 1 . 1 17 17 ASN CB C 13 38.893 . . . . . . . . 104 N CB . 52443 1 66 . 1 . 1 17 17 ASN N N 15 116.966 . . . . . . . . 104 N N . 52443 1 67 . 1 . 1 18 18 LYS H H 1 9.130 . . . . . . . . 105 K H . 52443 1 68 . 1 . 1 18 18 LYS CA C 13 59.741 . . . . . . . . 105 K CA . 52443 1 69 . 1 . 1 18 18 LYS CB C 13 29.451 . . . . . . . . 105 K CB . 52443 1 70 . 1 . 1 18 18 LYS N N 15 117.941 . . . . . . . . 105 K N . 52443 1 71 . 1 . 1 19 19 MET H H 1 7.844 . . . . . . . . 106 M H . 52443 1 72 . 1 . 1 19 19 MET C C 13 174.086 . . . . . . . . 106 M CO . 52443 1 73 . 1 . 1 19 19 MET CA C 13 57.267 . . . . . . . . 106 M CA . 52443 1 74 . 1 . 1 19 19 MET CB C 13 35.243 . . . . . . . . 106 M CB . 52443 1 75 . 1 . 1 19 19 MET N N 15 120.586 . . . . . . . . 106 M N . 52443 1 76 . 1 . 1 20 20 LEU H H 1 9.156 . . . . . . . . 107 L H . 52443 1 77 . 1 . 1 20 20 LEU C C 13 177.104 . . . . . . . . 107 L CO . 52443 1 78 . 1 . 1 20 20 LEU CA C 13 53.379 . . . . . . . . 107 L CA . 52443 1 79 . 1 . 1 20 20 LEU CB C 13 45.654 . . . . . . . . 107 L CB . 52443 1 80 . 1 . 1 20 20 LEU N N 15 128.545 . . . . . . . . 107 L N . 52443 1 81 . 1 . 1 21 21 ILE H H 1 9.575 . . . . . . . . 108 I H . 52443 1 82 . 1 . 1 21 21 ILE C C 13 176.270 . . . . . . . . 108 I CO . 52443 1 83 . 1 . 1 21 21 ILE CA C 13 60.246 . . . . . . . . 108 I CA . 52443 1 84 . 1 . 1 21 21 ILE CB C 13 40.767 . . . . . . . . 108 I CB . 52443 1 85 . 1 . 1 21 21 ILE N N 15 130.543 . . . . . . . . 108 I N . 52443 1 86 . 1 . 1 22 22 THR H H 1 9.267 . . . . . . . . 109 T H . 52443 1 87 . 1 . 1 22 22 THR C C 13 174.691 . . . . . . . . 109 T CO . 52443 1 88 . 1 . 1 22 22 THR CA C 13 62.721 . . . . . . . . 109 T CA . 52443 1 89 . 1 . 1 22 22 THR CB C 13 69.899 . . . . . . . . 109 T CB . 52443 1 90 . 1 . 1 22 22 THR N N 15 124.186 . . . . . . . . 109 T N . 52443 1 91 . 1 . 1 23 23 ILE H H 1 9.527 . . . . . . . . 110 I H . 52443 1 92 . 1 . 1 23 23 ILE C C 13 174.611 . . . . . . . . 110 I CO . 52443 1 93 . 1 . 1 23 23 ILE CA C 13 60.342 . . . . . . . . 110 I CA . 52443 1 94 . 1 . 1 23 23 ILE CB C 13 42.084 . . . . . . . . 110 I CB . 52443 1 95 . 1 . 1 23 23 ILE N N 15 127.882 . . . . . . . . 110 I N . 52443 1 96 . 1 . 1 24 24 ASN H H 1 8.937 . . . . . . . . 111 N H . 52443 1 97 . 1 . 1 24 24 ASN C C 13 175.452 . . . . . . . . 111 N CO . 52443 1 98 . 1 . 1 24 24 ASN CA C 13 52.297 . . . . . . . . 111 N CA . 52443 1 99 . 1 . 1 24 24 ASN CB C 13 40.899 . . . . . . . . 111 N CB . 52443 1 100 . 1 . 1 24 24 ASN N N 15 125.836 . . . . . . . . 111 N N . 52443 1 101 . 1 . 1 25 25 GLY H H 1 7.287 . . . . . . . . 112 G H . 52443 1 102 . 1 . 1 25 25 GLY C C 13 171.821 . . . . . . . . 112 G CO . 52443 1 103 . 1 . 1 25 25 GLY CA C 13 45.848 . . . . . . . . 112 G CA . 52443 1 104 . 1 . 1 25 25 GLY N N 15 110.020 . . . . . . . . 112 G N . 52443 1 105 . 1 . 1 26 26 GLU H H 1 8.809 . . . . . . . . 113 E H . 52443 1 106 . 1 . 1 26 26 GLU C C 13 176.304 . . . . . . . . 113 E CO . 52443 1 107 . 1 . 1 26 26 GLU CA C 13 55.374 . . . . . . . . 113 E CA . 52443 1 108 . 1 . 1 26 26 GLU CB C 13 33.229 . . . . . . . . 113 E CB . 52443 1 109 . 1 . 1 26 26 GLU N N 15 119.369 . . . . . . . . 113 E N . 52443 1 110 . 1 . 1 27 27 VAL H H 1 7.802 . . . . . . . . 114 V H . 52443 1 111 . 1 . 1 27 27 VAL C C 13 178.353 . . . . . . . . 114 V CO . 52443 1 112 . 1 . 1 27 27 VAL CA C 13 62.906 . . . . . . . . 114 V CA . 52443 1 113 . 1 . 1 27 27 VAL CB C 13 31.738 . . . . . . . . 114 V CB . 52443 1 114 . 1 . 1 27 27 VAL N N 15 124.124 . . . . . . . . 114 V N . 52443 1 115 . 1 . 1 28 28 LYS H H 1 7.972 . . . . . . . . 115 K H . 52443 1 116 . 1 . 1 28 28 LYS CA C 13 56.852 . . . . . . . . 115 K CA . 52443 1 117 . 1 . 1 28 28 LYS CB C 13 31.726 . . . . . . . . 115 K CB . 52443 1 118 . 1 . 1 28 28 LYS N N 15 129.587 . . . . . . . . 115 K N . 52443 1 119 . 1 . 1 30 30 ASN H H 1 8.446 . . . . . . . . 117 N H . 52443 1 120 . 1 . 1 30 30 ASN C C 13 175.825 . . . . . . . . 117 N CO . 52443 1 121 . 1 . 1 30 30 ASN CA C 13 52.744 . . . . . . . . 117 N CA . 52443 1 122 . 1 . 1 30 30 ASN CB C 13 37.322 . . . . . . . . 117 N CB . 52443 1 123 . 1 . 1 30 30 ASN N N 15 115.196 . . . . . . . . 117 N N . 52443 1 124 . 1 . 1 31 31 ALA H H 1 6.854 . . . . . . . . 118 A H . 52443 1 125 . 1 . 1 31 31 ALA C C 13 177.125 . . . . . . . . 118 A CO . 52443 1 126 . 1 . 1 31 31 ALA CA C 13 53.607 . . . . . . . . 118 A CA . 52443 1 127 . 1 . 1 31 31 ALA CB C 13 21.547 . . . . . . . . 118 A CB . 52443 1 128 . 1 . 1 31 31 ALA N N 15 118.902 . . . . . . . . 118 A N . 52443 1 129 . 1 . 1 32 32 LYS H H 1 9.783 . . . . . . . . 119 K H . 52443 1 130 . 1 . 1 32 32 LYS C C 13 180.203 . . . . . . . . 119 K CO . 52443 1 131 . 1 . 1 32 32 LYS CA C 13 57.621 . . . . . . . . 119 K CA . 52443 1 132 . 1 . 1 32 32 LYS CB C 13 34.193 . . . . . . . . 119 K CB . 52443 1 133 . 1 . 1 32 32 LYS N N 15 118.706 . . . . . . . . 119 K N . 52443 1 134 . 1 . 1 33 33 GLN H H 1 8.576 . . . . . . . . 120 Q H . 52443 1 135 . 1 . 1 33 33 GLN C C 13 175.317 . . . . . . . . 120 Q CO . 52443 1 136 . 1 . 1 33 33 GLN CA C 13 55.559 . . . . . . . . 120 Q CA . 52443 1 137 . 1 . 1 33 33 GLN CB C 13 30.987 . . . . . . . . 120 Q CB . 52443 1 138 . 1 . 1 33 33 GLN N N 15 114.467 . . . . . . . . 120 Q N . 52443 1 139 . 1 . 1 34 34 PHE H H 1 8.381 . . . . . . . . 121 F H . 52443 1 140 . 1 . 1 34 34 PHE C C 13 173.680 . . . . . . . . 121 F CO . 52443 1 141 . 1 . 1 34 34 PHE CA C 13 57.811 . . . . . . . . 121 F CA . 52443 1 142 . 1 . 1 34 34 PHE CB C 13 41.812 . . . . . . . . 121 F CB . 52443 1 143 . 1 . 1 34 34 PHE N N 15 114.088 . . . . . . . . 121 F N . 52443 1 144 . 1 . 1 35 35 THR H H 1 8.454 . . . . . . . . 122 T H . 52443 1 145 . 1 . 1 35 35 THR C C 13 173.636 . . . . . . . . 122 T CO . 52443 1 146 . 1 . 1 35 35 THR CA C 13 62.071 . . . . . . . . 122 T CA . 52443 1 147 . 1 . 1 35 35 THR CB C 13 73.384 . . . . . . . . 122 T CB . 52443 1 148 . 1 . 1 35 35 THR N N 15 116.156 . . . . . . . . 122 T N . 52443 1 149 . 1 . 1 36 36 VAL H H 1 8.599 . . . . . . . . 123 V H . 52443 1 150 . 1 . 1 36 36 VAL C C 13 174.098 . . . . . . . . 123 V CO . 52443 1 151 . 1 . 1 36 36 VAL CA C 13 61.437 . . . . . . . . 123 V CA . 52443 1 152 . 1 . 1 36 36 VAL CB C 13 34.134 . . . . . . . . 123 V CB . 52443 1 153 . 1 . 1 36 36 VAL N N 15 125.763 . . . . . . . . 123 V N . 52443 1 154 . 1 . 1 37 37 ASN H H 1 9.286 . . . . . . . . 124 N H . 52443 1 155 . 1 . 1 37 37 ASN C C 13 176.104 . . . . . . . . 124 N CO . 52443 1 156 . 1 . 1 37 37 ASN CA C 13 50.680 . . . . . . . . 124 N CA . 52443 1 157 . 1 . 1 37 37 ASN CB C 13 42.477 . . . . . . . . 124 N CB . 52443 1 158 . 1 . 1 37 37 ASN N N 15 122.512 . . . . . . . . 124 N N . 52443 1 159 . 1 . 1 38 38 LEU H H 1 9.293 . . . . . . . . 125 L H . 52443 1 160 . 1 . 1 38 38 LEU C C 13 177.801 . . . . . . . . 125 L CO . 52443 1 161 . 1 . 1 38 38 LEU CA C 13 54.173 . . . . . . . . 125 L CA . 52443 1 162 . 1 . 1 38 38 LEU CB C 13 42.170 . . . . . . . . 125 L CB . 52443 1 163 . 1 . 1 38 38 LEU N N 15 122.901 . . . . . . . . 125 L N . 52443 1 164 . 1 . 1 39 39 ARG H H 1 9.238 . . . . . . . . 126 R H . 52443 1 165 . 1 . 1 39 39 ARG C C 13 175.098 . . . . . . . . 126 R CO . 52443 1 166 . 1 . 1 39 39 ARG CA C 13 56.385 . . . . . . . . 126 R CA . 52443 1 167 . 1 . 1 39 39 ARG CB C 13 33.470 . . . . . . . . 126 R CB . 52443 1 168 . 1 . 1 39 39 ARG N N 15 124.142 . . . . . . . . 126 R N . 52443 1 169 . 1 . 1 40 40 ARG H H 1 8.268 . . . . . . . . 127 R H . 52443 1 170 . 1 . 1 40 40 ARG C C 13 176.560 . . . . . . . . 127 R CO . 52443 1 171 . 1 . 1 40 40 ARG CA C 13 54.687 . . . . . . . . 127 R CA . 52443 1 172 . 1 . 1 40 40 ARG CB C 13 30.997 . . . . . . . . 127 R CB . 52443 1 173 . 1 . 1 40 40 ARG N N 15 124.297 . . . . . . . . 127 R N . 52443 1 174 . 1 . 1 41 41 GLY H H 1 8.935 . . . . . . . . 128 G H . 52443 1 175 . 1 . 1 41 41 GLY CA C 13 47.491 . . . . . . . . 128 G CA . 52443 1 176 . 1 . 1 41 41 GLY N N 15 116.988 . . . . . . . . 128 G N . 52443 1 177 . 1 . 1 43 43 ASP H H 1 8.309 . . . . . . . . 130 D H . 52443 1 178 . 1 . 1 43 43 ASP C C 13 177.595 . . . . . . . . 130 D CO . 52443 1 179 . 1 . 1 43 43 ASP CA C 13 53.890 . . . . . . . . 130 D CA . 52443 1 180 . 1 . 1 43 43 ASP CB C 13 42.401 . . . . . . . . 130 D CB . 52443 1 181 . 1 . 1 43 43 ASP N N 15 119.178 . . . . . . . . 130 D N . 52443 1 182 . 1 . 1 44 44 ILE H H 1 9.672 . . . . . . . . 131 I H . 52443 1 183 . 1 . 1 44 44 ILE C C 13 176.463 . . . . . . . . 131 I CO . 52443 1 184 . 1 . 1 44 44 ILE CA C 13 61.141 . . . . . . . . 131 I CA . 52443 1 185 . 1 . 1 44 44 ILE CB C 13 39.237 . . . . . . . . 131 I CB . 52443 1 186 . 1 . 1 44 44 ILE N N 15 122.584 . . . . . . . . 131 I N . 52443 1 187 . 1 . 1 45 45 ALA H H 1 8.555 . . . . . . . . 132 A H . 52443 1 188 . 1 . 1 45 45 ALA C C 13 178.326 . . . . . . . . 132 A CO . 52443 1 189 . 1 . 1 45 45 ALA CA C 13 54.593 . . . . . . . . 132 A CA . 52443 1 190 . 1 . 1 45 45 ALA CB C 13 19.212 . . . . . . . . 132 A CB . 52443 1 191 . 1 . 1 45 45 ALA N N 15 128.803 . . . . . . . . 132 A N . 52443 1 192 . 1 . 1 46 46 PHE H H 1 7.490 . . . . . . . . 133 F H . 52443 1 193 . 1 . 1 46 46 PHE C C 13 171.323 . . . . . . . . 133 F CO . 52443 1 194 . 1 . 1 46 46 PHE CA C 13 55.292 . . . . . . . . 133 F CA . 52443 1 195 . 1 . 1 46 46 PHE CB C 13 40.349 . . . . . . . . 133 F CB . 52443 1 196 . 1 . 1 46 46 PHE N N 15 114.954 . . . . . . . . 133 F N . 52443 1 197 . 1 . 1 47 47 HIS H H 1 8.589 . . . . . . . . 134 H H . 52443 1 198 . 1 . 1 47 47 HIS C C 13 173.128 . . . . . . . . 134 H CO . 52443 1 199 . 1 . 1 47 47 HIS CA C 13 54.279 . . . . . . . . 134 H CA . 52443 1 200 . 1 . 1 47 47 HIS CB C 13 31.397 . . . . . . . . 134 H CB . 52443 1 201 . 1 . 1 47 47 HIS N N 15 131.346 . . . . . . . . 134 H N . 52443 1 202 . 1 . 1 48 48 ILE H H 1 8.418 . . . . . . . . 135 I H . 52443 1 203 . 1 . 1 48 48 ILE C C 13 174.842 . . . . . . . . 135 I CO . 52443 1 204 . 1 . 1 48 48 ILE CA C 13 59.481 . . . . . . . . 135 I CA . 52443 1 205 . 1 . 1 48 48 ILE CB C 13 39.440 . . . . . . . . 135 I CB . 52443 1 206 . 1 . 1 48 48 ILE N N 15 122.415 . . . . . . . . 135 I N . 52443 1 207 . 1 . 1 49 49 ASN H H 1 8.562 . . . . . . . . 136 N H . 52443 1 208 . 1 . 1 49 49 ASN CA C 13 49.575 . . . . . . . . 136 N CA . 52443 1 209 . 1 . 1 49 49 ASN CB C 13 42.190 . . . . . . . . 136 N CB . 52443 1 210 . 1 . 1 49 49 ASN N N 15 123.866 . . . . . . . . 136 N N . 52443 1 211 . 1 . 1 51 51 ARG H H 1 9.128 . . . . . . . . 138 R H . 52443 1 212 . 1 . 1 51 51 ARG C C 13 176.127 . . . . . . . . 138 R CO . 52443 1 213 . 1 . 1 51 51 ARG CA C 13 54.945 . . . . . . . . 138 R CA . 52443 1 214 . 1 . 1 51 51 ARG CB C 13 32.025 . . . . . . . . 138 R CB . 52443 1 215 . 1 . 1 51 51 ARG N N 15 123.632 . . . . . . . . 138 R N . 52443 1 216 . 1 . 1 52 52 PHE H H 1 8.159 . . . . . . . . 139 F H . 52443 1 217 . 1 . 1 52 52 PHE C C 13 176.581 . . . . . . . . 139 F CO . 52443 1 218 . 1 . 1 52 52 PHE CA C 13 60.720 . . . . . . . . 139 F CA . 52443 1 219 . 1 . 1 52 52 PHE CB C 13 39.053 . . . . . . . . 139 F CB . 52443 1 220 . 1 . 1 52 52 PHE N N 15 119.580 . . . . . . . . 139 F N . 52443 1 221 . 1 . 1 53 53 SER H H 1 8.537 . . . . . . . . 140 S H . 52443 1 222 . 1 . 1 53 53 SER C C 13 174.207 . . . . . . . . 140 S CO . 52443 1 223 . 1 . 1 53 53 SER CA C 13 57.787 . . . . . . . . 140 S CA . 52443 1 224 . 1 . 1 53 53 SER CB C 13 62.951 . . . . . . . . 140 S CB . 52443 1 225 . 1 . 1 53 53 SER N N 15 113.566 . . . . . . . . 140 S N . 52443 1 226 . 1 . 1 54 54 GLU H H 1 8.863 . . . . . . . . 141 E H . 52443 1 227 . 1 . 1 54 54 GLU CA C 13 56.173 . . . . . . . . 141 E CA . 52443 1 228 . 1 . 1 54 54 GLU CB C 13 29.900 . . . . . . . . 141 E CB . 52443 1 229 . 1 . 1 54 54 GLU N N 15 128.534 . . . . . . . . 141 E N . 52443 1 230 . 1 . 1 56 56 GLY H H 1 7.731 . . . . . . . . 143 G H . 52443 1 231 . 1 . 1 56 56 GLY C C 13 174.440 . . . . . . . . 143 G CO . 52443 1 232 . 1 . 1 56 56 GLY CA C 13 44.967 . . . . . . . . 143 G CA . 52443 1 233 . 1 . 1 56 56 GLY N N 15 105.189 . . . . . . . . 143 G N . 52443 1 234 . 1 . 1 57 57 LYS H H 1 7.486 . . . . . . . . 144 K H . 52443 1 235 . 1 . 1 57 57 LYS CA C 13 53.429 . . . . . . . . 144 K CA . 52443 1 236 . 1 . 1 57 57 LYS CB C 13 33.899 . . . . . . . . 144 K CB . 52443 1 237 . 1 . 1 57 57 LYS N N 15 119.617 . . . . . . . . 144 K N . 52443 1 238 . 1 . 1 59 59 VAL H H 1 8.226 . . . . . . . . 146 V H . 52443 1 239 . 1 . 1 59 59 VAL C C 13 175.733 . . . . . . . . 146 V CO . 52443 1 240 . 1 . 1 59 59 VAL CA C 13 59.405 . . . . . . . . 146 V CA . 52443 1 241 . 1 . 1 59 59 VAL CB C 13 36.899 . . . . . . . . 146 V CB . 52443 1 242 . 1 . 1 59 59 VAL N N 15 115.678 . . . . . . . . 146 V N . 52443 1 243 . 1 . 1 60 60 ILE H H 1 9.312 . . . . . . . . 147 I H . 52443 1 244 . 1 . 1 60 60 ILE C C 13 175.754 . . . . . . . . 147 I CO . 52443 1 245 . 1 . 1 60 60 ILE CA C 13 61.996 . . . . . . . . 147 I CA . 52443 1 246 . 1 . 1 60 60 ILE CB C 13 39.080 . . . . . . . . 147 I CB . 52443 1 247 . 1 . 1 60 60 ILE N N 15 120.495 . . . . . . . . 147 I N . 52443 1 248 . 1 . 1 61 61 VAL H H 1 7.264 . . . . . . . . 148 V H . 52443 1 249 . 1 . 1 61 61 VAL C C 13 176.577 . . . . . . . . 148 V CO . 52443 1 250 . 1 . 1 61 61 VAL CA C 13 63.195 . . . . . . . . 148 V CA . 52443 1 251 . 1 . 1 61 61 VAL CB C 13 33.259 . . . . . . . . 148 V CB . 52443 1 252 . 1 . 1 61 61 VAL N N 15 129.223 . . . . . . . . 148 V N . 52443 1 253 . 1 . 1 62 62 ARG H H 1 8.710 . . . . . . . . 149 R H . 52443 1 254 . 1 . 1 62 62 ARG C C 13 176.146 . . . . . . . . 149 R CO . 52443 1 255 . 1 . 1 62 62 ARG CA C 13 55.714 . . . . . . . . 149 R CA . 52443 1 256 . 1 . 1 62 62 ARG CB C 13 30.559 . . . . . . . . 149 R CB . 52443 1 257 . 1 . 1 62 62 ARG N N 15 124.948 . . . . . . . . 149 R N . 52443 1 258 . 1 . 1 63 63 ASN H H 1 8.847 . . . . . . . . 150 N H . 52443 1 259 . 1 . 1 63 63 ASN C C 13 173.319 . . . . . . . . 150 N CO . 52443 1 260 . 1 . 1 63 63 ASN CA C 13 51.943 . . . . . . . . 150 N CA . 52443 1 261 . 1 . 1 63 63 ASN CB C 13 42.992 . . . . . . . . 150 N CB . 52443 1 262 . 1 . 1 63 63 ASN N N 15 118.311 . . . . . . . . 150 N N . 52443 1 263 . 1 . 1 64 64 SER H H 1 9.938 . . . . . . . . 151 S H . 52443 1 264 . 1 . 1 64 64 SER C C 13 172.449 . . . . . . . . 151 S CO . 52443 1 265 . 1 . 1 64 64 SER CA C 13 58.403 . . . . . . . . 151 S CA . 52443 1 266 . 1 . 1 64 64 SER CB C 13 66.646 . . . . . . . . 151 S CB . 52443 1 267 . 1 . 1 64 64 SER N N 15 114.193 . . . . . . . . 151 S N . 52443 1 268 . 1 . 1 65 65 MET H H 1 9.040 . . . . . . . . 152 M H . 52443 1 269 . 1 . 1 65 65 MET C C 13 174.547 . . . . . . . . 152 M CO . 52443 1 270 . 1 . 1 65 65 MET CA C 13 55.018 . . . . . . . . 152 M CA . 52443 1 271 . 1 . 1 65 65 MET CB C 13 33.958 . . . . . . . . 152 M CB . 52443 1 272 . 1 . 1 65 65 MET N N 15 124.009 . . . . . . . . 152 M N . 52443 1 273 . 1 . 1 66 66 ILE H H 1 7.874 . . . . . . . . 153 I H . 52443 1 274 . 1 . 1 66 66 ILE C C 13 178.560 . . . . . . . . 153 I CO . 52443 1 275 . 1 . 1 66 66 ILE CA C 13 59.739 . . . . . . . . 153 I CA . 52443 1 276 . 1 . 1 66 66 ILE CB C 13 40.336 . . . . . . . . 153 I CB . 52443 1 277 . 1 . 1 66 66 ILE N N 15 126.139 . . . . . . . . 153 I N . 52443 1 278 . 1 . 1 67 67 GLY H H 1 9.187 . . . . . . . . 154 G H . 52443 1 279 . 1 . 1 67 67 GLY C C 13 176.211 . . . . . . . . 154 G CO . 52443 1 280 . 1 . 1 67 67 GLY CA C 13 47.816 . . . . . . . . 154 G CA . 52443 1 281 . 1 . 1 67 67 GLY N N 15 120.879 . . . . . . . . 154 G N . 52443 1 282 . 1 . 1 68 68 ASN H H 1 8.925 . . . . . . . . 155 N H . 52443 1 283 . 1 . 1 68 68 ASN C C 13 174.511 . . . . . . . . 155 N CO . 52443 1 284 . 1 . 1 68 68 ASN CA C 13 54.592 . . . . . . . . 155 N CA . 52443 1 285 . 1 . 1 68 68 ASN CB C 13 38.280 . . . . . . . . 155 N CB . 52443 1 286 . 1 . 1 68 68 ASN N N 15 111.930 . . . . . . . . 155 N N . 52443 1 287 . 1 . 1 69 69 ASN H H 1 7.393 . . . . . . . . 156 N H . 52443 1 288 . 1 . 1 69 69 ASN C C 13 175.988 . . . . . . . . 156 N CO . 52443 1 289 . 1 . 1 69 69 ASN CA C 13 52.336 . . . . . . . . 156 N CA . 52443 1 290 . 1 . 1 69 69 ASN CB C 13 41.192 . . . . . . . . 156 N CB . 52443 1 291 . 1 . 1 69 69 ASN N N 15 116.421 . . . . . . . . 156 N N . 52443 1 292 . 1 . 1 70 70 TRP H H 1 9.133 . . . . . . . . 157 W H . 52443 1 293 . 1 . 1 70 70 TRP C C 13 178.540 . . . . . . . . 157 W CO . 52443 1 294 . 1 . 1 70 70 TRP CA C 13 58.144 . . . . . . . . 157 W CA . 52443 1 295 . 1 . 1 70 70 TRP CB C 13 30.116 . . . . . . . . 157 W CB . 52443 1 296 . 1 . 1 70 70 TRP N N 15 128.199 . . . . . . . . 157 W N . 52443 1 297 . 1 . 1 71 71 GLY H H 1 8.296 . . . . . . . . 158 G H . 52443 1 298 . 1 . 1 71 71 GLY C C 13 175.252 . . . . . . . . 158 G CO . 52443 1 299 . 1 . 1 71 71 GLY CA C 13 44.646 . . . . . . . . 158 G CA . 52443 1 300 . 1 . 1 71 71 GLY N N 15 110.428 . . . . . . . . 158 G N . 52443 1 301 . 1 . 1 72 72 ARG H H 1 8.582 . . . . . . . . 159 R H . 52443 1 302 . 1 . 1 72 72 ARG C C 13 177.232 . . . . . . . . 159 R CO . 52443 1 303 . 1 . 1 72 72 ARG CA C 13 56.157 . . . . . . . . 159 R CA . 52443 1 304 . 1 . 1 72 72 ARG CB C 13 30.560 . . . . . . . . 159 R CB . 52443 1 305 . 1 . 1 72 72 ARG N N 15 123.293 . . . . . . . . 159 R N . 52443 1 306 . 1 . 1 73 73 GLU H H 1 8.905 . . . . . . . . 160 E H . 52443 1 307 . 1 . 1 73 73 GLU C C 13 177.715 . . . . . . . . 160 E CO . 52443 1 308 . 1 . 1 73 73 GLU CA C 13 57.347 . . . . . . . . 160 E CA . 52443 1 309 . 1 . 1 73 73 GLU CB C 13 31.302 . . . . . . . . 160 E CB . 52443 1 310 . 1 . 1 73 73 GLU N N 15 126.472 . . . . . . . . 160 E N . 52443 1 311 . 1 . 1 74 74 GLU H H 1 9.277 . . . . . . . . 161 E H . 52443 1 312 . 1 . 1 74 74 GLU C C 13 177.163 . . . . . . . . 161 E CO . 52443 1 313 . 1 . 1 74 74 GLU CA C 13 56.387 . . . . . . . . 161 E CA . 52443 1 314 . 1 . 1 74 74 GLU CB C 13 30.668 . . . . . . . . 161 E CB . 52443 1 315 . 1 . 1 74 74 GLU N N 15 124.189 . . . . . . . . 161 E N . 52443 1 316 . 1 . 1 75 75 ARG H H 1 8.794 . . . . . . . . 162 R H . 52443 1 317 . 1 . 1 75 75 ARG C C 13 178.228 . . . . . . . . 162 R CO . 52443 1 318 . 1 . 1 75 75 ARG CA C 13 56.173 . . . . . . . . 162 R CA . 52443 1 319 . 1 . 1 75 75 ARG CB C 13 34.526 . . . . . . . . 162 R CB . 52443 1 320 . 1 . 1 75 75 ARG N N 15 119.886 . . . . . . . . 162 R N . 52443 1 321 . 1 . 1 76 76 GLU H H 1 8.972 . . . . . . . . 163 E H . 52443 1 322 . 1 . 1 76 76 GLU C C 13 179.083 . . . . . . . . 163 E CO . 52443 1 323 . 1 . 1 76 76 GLU CA C 13 59.114 . . . . . . . . 163 E CA . 52443 1 324 . 1 . 1 76 76 GLU CB C 13 29.548 . . . . . . . . 163 E CB . 52443 1 325 . 1 . 1 76 76 GLU N N 15 124.358 . . . . . . . . 163 E N . 52443 1 326 . 1 . 1 77 77 LEU H H 1 8.777 . . . . . . . . 164 L H . 52443 1 327 . 1 . 1 77 77 LEU CA C 13 53.249 . . . . . . . . 164 L CA . 52443 1 328 . 1 . 1 77 77 LEU CB C 13 46.392 . . . . . . . . 164 L CB . 52443 1 329 . 1 . 1 77 77 LEU N N 15 125.750 . . . . . . . . 164 L N . 52443 1 330 . 1 . 1 79 79 SER H H 1 7.105 . . . . . . . . 166 S H . 52443 1 331 . 1 . 1 79 79 SER C C 13 171.840 . . . . . . . . 166 S CO . 52443 1 332 . 1 . 1 79 79 SER CA C 13 57.539 . . . . . . . . 166 S CA . 52443 1 333 . 1 . 1 79 79 SER CB C 13 63.882 . . . . . . . . 166 S CB . 52443 1 334 . 1 . 1 79 79 SER N N 15 109.509 . . . . . . . . 166 S N . 52443 1 335 . 1 . 1 80 80 PHE H H 1 8.664 . . . . . . . . 167 F H . 52443 1 336 . 1 . 1 80 80 PHE CA C 13 55.032 . . . . . . . . 167 F CA . 52443 1 337 . 1 . 1 80 80 PHE CB C 13 40.736 . . . . . . . . 167 F CB . 52443 1 338 . 1 . 1 80 80 PHE N N 15 121.146 . . . . . . . . 167 F N . 52443 1 339 . 1 . 1 83 83 VAL H H 1 9.415 . . . . . . . . 170 V H . 52443 1 340 . 1 . 1 83 83 VAL CA C 13 59.563 . . . . . . . . 170 V CA . 52443 1 341 . 1 . 1 83 83 VAL CB C 13 36.503 . . . . . . . . 170 V CB . 52443 1 342 . 1 . 1 83 83 VAL N N 15 123.919 . . . . . . . . 170 V N . 52443 1 343 . 1 . 1 85 85 GLY H H 1 7.454 . . . . . . . . 172 G H . 52443 1 344 . 1 . 1 85 85 GLY C C 13 174.736 . . . . . . . . 172 G CO . 52443 1 345 . 1 . 1 85 85 GLY CA C 13 45.225 . . . . . . . . 172 G CA . 52443 1 346 . 1 . 1 85 85 GLY N N 15 111.981 . . . . . . . . 172 G N . 52443 1 347 . 1 . 1 86 86 LYS H H 1 7.974 . . . . . . . . 173 K H . 52443 1 348 . 1 . 1 86 86 LYS CA C 13 52.673 . . . . . . . . 173 K CA . 52443 1 349 . 1 . 1 86 86 LYS CB C 13 33.479 . . . . . . . . 173 K CB . 52443 1 350 . 1 . 1 86 86 LYS N N 15 118.112 . . . . . . . . 173 K N . 52443 1 351 . 1 . 1 88 88 PHE H H 1 8.802 . . . . . . . . 175 F H . 52443 1 352 . 1 . 1 88 88 PHE C C 13 173.620 . . . . . . . . 175 F CO . 52443 1 353 . 1 . 1 88 88 PHE CA C 13 56.353 . . . . . . . . 175 F CA . 52443 1 354 . 1 . 1 88 88 PHE CB C 13 42.994 . . . . . . . . 175 F CB . 52443 1 355 . 1 . 1 88 88 PHE N N 15 116.226 . . . . . . . . 175 F N . 52443 1 356 . 1 . 1 89 89 GLU H H 1 8.340 . . . . . . . . 176 E H . 52443 1 357 . 1 . 1 89 89 GLU C C 13 176.432 . . . . . . . . 176 E CO . 52443 1 358 . 1 . 1 89 89 GLU CA C 13 54.811 . . . . . . . . 176 E CA . 52443 1 359 . 1 . 1 89 89 GLU CB C 13 34.084 . . . . . . . . 176 E CB . 52443 1 360 . 1 . 1 89 89 GLU N N 15 120.707 . . . . . . . . 176 E N . 52443 1 361 . 1 . 1 90 90 MET H H 1 9.928 . . . . . . . . 177 M H . 52443 1 362 . 1 . 1 90 90 MET C C 13 174.400 . . . . . . . . 177 M CO . 52443 1 363 . 1 . 1 90 90 MET CA C 13 54.316 . . . . . . . . 177 M CA . 52443 1 364 . 1 . 1 90 90 MET CB C 13 37.318 . . . . . . . . 177 M CB . 52443 1 365 . 1 . 1 90 90 MET N N 15 129.851 . . . . . . . . 177 M N . 52443 1 366 . 1 . 1 91 91 LYS H H 1 9.395 . . . . . . . . 178 K H . 52443 1 367 . 1 . 1 91 91 LYS C C 13 176.556 . . . . . . . . 178 K CO . 52443 1 368 . 1 . 1 91 91 LYS CA C 13 54.816 . . . . . . . . 178 K CA . 52443 1 369 . 1 . 1 91 91 LYS CB C 13 36.147 . . . . . . . . 178 K CB . 52443 1 370 . 1 . 1 91 91 LYS N N 15 126.926 . . . . . . . . 178 K N . 52443 1 371 . 1 . 1 92 92 ILE H H 1 9.710 . . . . . . . . 179 I H . 52443 1 372 . 1 . 1 92 92 ILE C C 13 174.361 . . . . . . . . 179 I CO . 52443 1 373 . 1 . 1 92 92 ILE CA C 13 60.738 . . . . . . . . 179 I CA . 52443 1 374 . 1 . 1 92 92 ILE CB C 13 40.803 . . . . . . . . 179 I CB . 52443 1 375 . 1 . 1 92 92 ILE N N 15 123.463 . . . . . . . . 179 I N . 52443 1 376 . 1 . 1 93 93 LEU H H 1 9.493 . . . . . . . . 180 L H . 52443 1 377 . 1 . 1 93 93 LEU C C 13 176.200 . . . . . . . . 180 L CO . 52443 1 378 . 1 . 1 93 93 LEU CA C 13 53.597 . . . . . . . . 180 L CA . 52443 1 379 . 1 . 1 93 93 LEU CB C 13 44.592 . . . . . . . . 180 L CB . 52443 1 380 . 1 . 1 93 93 LEU N N 15 130.433 . . . . . . . . 180 L N . 52443 1 381 . 1 . 1 94 94 ILE H H 1 9.238 . . . . . . . . 181 I H . 52443 1 382 . 1 . 1 94 94 ILE C C 13 176.249 . . . . . . . . 181 I CO . 52443 1 383 . 1 . 1 94 94 ILE CA C 13 62.533 . . . . . . . . 181 I CA . 52443 1 384 . 1 . 1 94 94 ILE CB C 13 37.665 . . . . . . . . 181 I CB . 52443 1 385 . 1 . 1 94 94 ILE N N 15 128.144 . . . . . . . . 181 I N . 52443 1 386 . 1 . 1 95 95 THR H H 1 8.740 . . . . . . . . 182 T H . 52443 1 387 . 1 . 1 95 95 THR C C 13 175.586 . . . . . . . . 182 T CO . 52443 1 388 . 1 . 1 95 95 THR CA C 13 58.879 . . . . . . . . 182 T CA . 52443 1 389 . 1 . 1 95 95 THR CB C 13 71.030 . . . . . . . . 182 T CB . 52443 1 390 . 1 . 1 95 95 THR N N 15 118.286 . . . . . . . . 182 T N . 52443 1 391 . 1 . 1 96 96 ASP H H 1 8.418 . . . . . . . . 183 D H . 52443 1 392 . 1 . 1 96 96 ASP C C 13 178.396 . . . . . . . . 183 D CO . 52443 1 393 . 1 . 1 96 96 ASP CA C 13 56.665 . . . . . . . . 183 D CA . 52443 1 394 . 1 . 1 96 96 ASP CB C 13 40.599 . . . . . . . . 183 D CB . 52443 1 395 . 1 . 1 96 96 ASP N N 15 115.611 . . . . . . . . 183 D N . 52443 1 396 . 1 . 1 97 97 THR H H 1 8.335 . . . . . . . . 184 T H . 52443 1 397 . 1 . 1 97 97 THR C C 13 176.229 . . . . . . . . 184 T CO . 52443 1 398 . 1 . 1 97 97 THR CA C 13 62.662 . . . . . . . . 184 T CA . 52443 1 399 . 1 . 1 97 97 THR CB C 13 70.543 . . . . . . . . 184 T CB . 52443 1 400 . 1 . 1 97 97 THR N N 15 106.341 . . . . . . . . 184 T N . 52443 1 401 . 1 . 1 98 98 GLU H H 1 7.855 . . . . . . . . 185 E H . 52443 1 402 . 1 . 1 98 98 GLU C C 13 174.230 . . . . . . . . 185 E CO . 52443 1 403 . 1 . 1 98 98 GLU CA C 13 55.493 . . . . . . . . 185 E CA . 52443 1 404 . 1 . 1 98 98 GLU CB C 13 32.030 . . . . . . . . 185 E CB . 52443 1 405 . 1 . 1 98 98 GLU N N 15 120.084 . . . . . . . . 185 E N . 52443 1 406 . 1 . 1 99 99 TYR H H 1 8.309 . . . . . . . . 186 Y H . 52443 1 407 . 1 . 1 99 99 TYR C C 13 177.855 . . . . . . . . 186 Y CO . 52443 1 408 . 1 . 1 99 99 TYR CA C 13 57.272 . . . . . . . . 186 Y CA . 52443 1 409 . 1 . 1 99 99 TYR CB C 13 40.663 . . . . . . . . 186 Y CB . 52443 1 410 . 1 . 1 99 99 TYR N N 15 114.862 . . . . . . . . 186 Y N . 52443 1 411 . 1 . 1 100 100 LYS H H 1 9.730 . . . . . . . . 187 K H . 52443 1 412 . 1 . 1 100 100 LYS C C 13 176.496 . . . . . . . . 187 K CO . 52443 1 413 . 1 . 1 100 100 LYS CA C 13 56.142 . . . . . . . . 187 K CA . 52443 1 414 . 1 . 1 100 100 LYS CB C 13 35.067 . . . . . . . . 187 K CB . 52443 1 415 . 1 . 1 100 100 LYS N N 15 121.570 . . . . . . . . 187 K N . 52443 1 416 . 1 . 1 101 101 VAL H H 1 9.154 . . . . . . . . 188 V H . 52443 1 417 . 1 . 1 101 101 VAL C C 13 174.360 . . . . . . . . 188 V CO . 52443 1 418 . 1 . 1 101 101 VAL CA C 13 60.990 . . . . . . . . 188 V CA . 52443 1 419 . 1 . 1 101 101 VAL CB C 13 33.953 . . . . . . . . 188 V CB . 52443 1 420 . 1 . 1 101 101 VAL N N 15 123.962 . . . . . . . . 188 V N . 52443 1 421 . 1 . 1 102 102 ALA H H 1 9.305 . . . . . . . . 189 A H . 52443 1 422 . 1 . 1 102 102 ALA C C 13 177.834 . . . . . . . . 189 A CO . 52443 1 423 . 1 . 1 102 102 ALA CA C 13 50.709 . . . . . . . . 189 A CA . 52443 1 424 . 1 . 1 102 102 ALA CB C 13 22.382 . . . . . . . . 189 A CB . 52443 1 425 . 1 . 1 102 102 ALA N N 15 130.863 . . . . . . . . 189 A N . 52443 1 426 . 1 . 1 103 103 VAL H H 1 8.415 . . . . . . . . 190 V H . 52443 1 427 . 1 . 1 103 103 VAL C C 13 176.467 . . . . . . . . 190 V CO . 52443 1 428 . 1 . 1 103 103 VAL CA C 13 60.438 . . . . . . . . 190 V CA . 52443 1 429 . 1 . 1 103 103 VAL CB C 13 34.547 . . . . . . . . 190 V CB . 52443 1 430 . 1 . 1 103 103 VAL N N 15 119.131 . . . . . . . . 190 V N . 52443 1 431 . 1 . 1 104 104 ASN H H 1 9.860 . . . . . . . . 191 N H . 52443 1 432 . 1 . 1 104 104 ASN C C 13 175.796 . . . . . . . . 191 N CO . 52443 1 433 . 1 . 1 104 104 ASN CA C 13 54.325 . . . . . . . . 191 N CA . 52443 1 434 . 1 . 1 104 104 ASN CB C 13 35.967 . . . . . . . . 191 N CB . 52443 1 435 . 1 . 1 104 104 ASN N N 15 127.573 . . . . . . . . 191 N N . 52443 1 436 . 1 . 1 105 105 LYS H H 1 9.155 . . . . . . . . 192 K H . 52443 1 437 . 1 . 1 105 105 LYS C C 13 176.905 . . . . . . . . 192 K CO . 52443 1 438 . 1 . 1 105 105 LYS CA C 13 58.171 . . . . . . . . 192 K CA . 52443 1 439 . 1 . 1 105 105 LYS CB C 13 30.036 . . . . . . . . 192 K CB . 52443 1 440 . 1 . 1 105 105 LYS N N 15 108.416 . . . . . . . . 192 K N . 52443 1 441 . 1 . 1 106 106 SER H H 1 7.681 . . . . . . . . 193 S H . 52443 1 442 . 1 . 1 106 106 SER C C 13 174.735 . . . . . . . . 193 S CO . 52443 1 443 . 1 . 1 106 106 SER CA C 13 57.414 . . . . . . . . 193 S CA . 52443 1 444 . 1 . 1 106 106 SER CB C 13 65.017 . . . . . . . . 193 S CB . 52443 1 445 . 1 . 1 106 106 SER N N 15 114.579 . . . . . . . . 193 S N . 52443 1 446 . 1 . 1 108 108 LEU H H 1 9.013 . . . . . . . . 195 L H . 52443 1 447 . 1 . 1 108 108 LEU C C 13 175.433 . . . . . . . . 195 L CO . 52443 1 448 . 1 . 1 108 108 LEU CA C 13 55.660 . . . . . . . . 195 L CA . 52443 1 449 . 1 . 1 108 108 LEU CB C 13 45.535 . . . . . . . . 195 L CB . 52443 1 450 . 1 . 1 108 108 LEU N N 15 129.119 . . . . . . . . 195 L N . 52443 1 451 . 1 . 1 109 109 LEU H H 1 7.582 . . . . . . . . 196 L H . 52443 1 452 . 1 . 1 109 109 LEU C C 13 174.403 . . . . . . . . 196 L CO . 52443 1 453 . 1 . 1 109 109 LEU CA C 13 54.307 . . . . . . . . 196 L CA . 52443 1 454 . 1 . 1 109 109 LEU CB C 13 43.000 . . . . . . . . 196 L CB . 52443 1 455 . 1 . 1 109 109 LEU N N 15 109.970 . . . . . . . . 196 L N . 52443 1 456 . 1 . 1 110 110 GLU H H 1 8.806 . . . . . . . . 197 E H . 52443 1 457 . 1 . 1 110 110 GLU C C 13 176.332 . . . . . . . . 197 E CO . 52443 1 458 . 1 . 1 110 110 GLU CA C 13 54.123 . . . . . . . . 197 E CA . 52443 1 459 . 1 . 1 110 110 GLU CB C 13 33.935 . . . . . . . . 197 E CB . 52443 1 460 . 1 . 1 110 110 GLU N N 15 118.464 . . . . . . . . 197 E N . 52443 1 461 . 1 . 1 111 111 PHE H H 1 8.810 . . . . . . . . 198 F H . 52443 1 462 . 1 . 1 111 111 PHE C C 13 175.377 . . . . . . . . 198 F CO . 52443 1 463 . 1 . 1 111 111 PHE CA C 13 56.617 . . . . . . . . 198 F CA . 52443 1 464 . 1 . 1 111 111 PHE CB C 13 43.621 . . . . . . . . 198 F CB . 52443 1 465 . 1 . 1 111 111 PHE N N 15 124.450 . . . . . . . . 198 F N . 52443 1 466 . 1 . 1 112 112 LYS H H 1 9.151 . . . . . . . . 199 K H . 52443 1 467 . 1 . 1 112 112 LYS C C 13 177.181 . . . . . . . . 199 K CO . 52443 1 468 . 1 . 1 112 112 LYS CA C 13 56.530 . . . . . . . . 199 K CA . 52443 1 469 . 1 . 1 112 112 LYS CB C 13 32.129 . . . . . . . . 199 K CB . 52443 1 470 . 1 . 1 112 112 LYS N N 15 129.856 . . . . . . . . 199 K N . 52443 1 471 . 1 . 1 113 113 HIS H H 1 6.742 . . . . . . . . 200 H H . 52443 1 472 . 1 . 1 113 113 HIS C C 13 176.945 . . . . . . . . 200 H CO . 52443 1 473 . 1 . 1 113 113 HIS CA C 13 58.649 . . . . . . . . 200 H CA . 52443 1 474 . 1 . 1 113 113 HIS CB C 13 30.801 . . . . . . . . 200 H CB . 52443 1 475 . 1 . 1 113 113 HIS N N 15 116.565 . . . . . . . . 200 H N . 52443 1 476 . 1 . 1 114 114 ARG H H 1 9.125 . . . . . . . . 201 R H . 52443 1 477 . 1 . 1 114 114 ARG C C 13 177.331 . . . . . . . . 201 R CO . 52443 1 478 . 1 . 1 114 114 ARG CA C 13 56.660 . . . . . . . . 201 R CA . 52443 1 479 . 1 . 1 114 114 ARG CB C 13 32.088 . . . . . . . . 201 R CB . 52443 1 480 . 1 . 1 114 114 ARG N N 15 118.780 . . . . . . . . 201 R N . 52443 1 481 . 1 . 1 115 115 VAL H H 1 7.913 . . . . . . . . 202 V H . 52443 1 482 . 1 . 1 115 115 VAL C C 13 176.332 . . . . . . . . 202 V CO . 52443 1 483 . 1 . 1 115 115 VAL CA C 13 61.423 . . . . . . . . 202 V CA . 52443 1 484 . 1 . 1 115 115 VAL CB C 13 33.240 . . . . . . . . 202 V CB . 52443 1 485 . 1 . 1 115 115 VAL N N 15 119.181 . . . . . . . . 202 V N . 52443 1 486 . 1 . 1 116 116 PHE H H 1 8.821 . . . . . . . . 203 F H . 52443 1 487 . 1 . 1 116 116 PHE C C 13 177.378 . . . . . . . . 203 F CO . 52443 1 488 . 1 . 1 116 116 PHE CA C 13 59.794 . . . . . . . . 203 F CA . 52443 1 489 . 1 . 1 116 116 PHE CB C 13 39.313 . . . . . . . . 203 F CB . 52443 1 490 . 1 . 1 116 116 PHE N N 15 124.335 . . . . . . . . 203 F N . 52443 1 491 . 1 . 1 117 117 GLU H H 1 8.108 . . . . . . . . 204 E H . 52443 1 492 . 1 . 1 117 117 GLU C C 13 177.302 . . . . . . . . 204 E CO . 52443 1 493 . 1 . 1 117 117 GLU CA C 13 56.014 . . . . . . . . 204 E CA . 52443 1 494 . 1 . 1 117 117 GLU CB C 13 25.975 . . . . . . . . 204 E CB . 52443 1 495 . 1 . 1 117 117 GLU N N 15 120.788 . . . . . . . . 204 E N . 52443 1 496 . 1 . 1 118 118 LEU H H 1 7.947 . . . . . . . . 205 L H . 52443 1 497 . 1 . 1 118 118 LEU C C 13 179.490 . . . . . . . . 205 L CO . 52443 1 498 . 1 . 1 118 118 LEU CA C 13 57.729 . . . . . . . . 205 L CA . 52443 1 499 . 1 . 1 118 118 LEU CB C 13 40.791 . . . . . . . . 205 L CB . 52443 1 500 . 1 . 1 118 118 LEU N N 15 123.518 . . . . . . . . 205 L N . 52443 1 501 . 1 . 1 119 119 ASN H H 1 8.638 . . . . . . . . 206 N H . 52443 1 502 . 1 . 1 119 119 ASN C C 13 176.051 . . . . . . . . 206 N CO . 52443 1 503 . 1 . 1 119 119 ASN CA C 13 55.409 . . . . . . . . 206 N CA . 52443 1 504 . 1 . 1 119 119 ASN CB C 13 37.013 . . . . . . . . 206 N CB . 52443 1 505 . 1 . 1 119 119 ASN N N 15 113.847 . . . . . . . . 206 N N . 52443 1 506 . 1 . 1 120 120 GLN H H 1 7.729 . . . . . . . . 207 Q H . 52443 1 507 . 1 . 1 120 120 GLN C C 13 177.154 . . . . . . . . 207 Q CO . 52443 1 508 . 1 . 1 120 120 GLN CA C 13 55.453 . . . . . . . . 207 Q CA . 52443 1 509 . 1 . 1 120 120 GLN CB C 13 28.764 . . . . . . . . 207 Q CB . 52443 1 510 . 1 . 1 120 120 GLN N N 15 116.362 . . . . . . . . 207 Q N . 52443 1 511 . 1 . 1 121 121 ILE H H 1 7.719 . . . . . . . . 208 I H . 52443 1 512 . 1 . 1 121 121 ILE C C 13 176.552 . . . . . . . . 208 I CO . 52443 1 513 . 1 . 1 121 121 ILE CA C 13 62.013 . . . . . . . . 208 I CA . 52443 1 514 . 1 . 1 121 121 ILE CB C 13 36.390 . . . . . . . . 208 I CB . 52443 1 515 . 1 . 1 121 121 ILE N N 15 123.299 . . . . . . . . 208 I N . 52443 1 516 . 1 . 1 122 122 THR H H 1 8.326 . . . . . . . . 209 T H . 52443 1 517 . 1 . 1 122 122 THR C C 13 178.031 . . . . . . . . 209 T CO . 52443 1 518 . 1 . 1 122 122 THR CA C 13 61.497 . . . . . . . . 209 T CA . 52443 1 519 . 1 . 1 122 122 THR CB C 13 70.423 . . . . . . . . 209 T CB . 52443 1 520 . 1 . 1 122 122 THR N N 15 112.589 . . . . . . . . 209 T N . 52443 1 521 . 1 . 1 123 123 GLY H H 1 7.768 . . . . . . . . 210 G H . 52443 1 522 . 1 . 1 123 123 GLY C C 13 170.510 . . . . . . . . 210 G CO . 52443 1 523 . 1 . 1 123 123 GLY CA C 13 46.354 . . . . . . . . 210 G CA . 52443 1 524 . 1 . 1 123 123 GLY N N 15 109.777 . . . . . . . . 210 G N . 52443 1 525 . 1 . 1 124 124 LEU H H 1 9.080 . . . . . . . . 211 L H . 52443 1 526 . 1 . 1 124 124 LEU C C 13 176.175 . . . . . . . . 211 L CO . 52443 1 527 . 1 . 1 124 124 LEU CA C 13 53.427 . . . . . . . . 211 L CA . 52443 1 528 . 1 . 1 124 124 LEU CB C 13 46.314 . . . . . . . . 211 L CB . 52443 1 529 . 1 . 1 124 124 LEU N N 15 124.097 . . . . . . . . 211 L N . 52443 1 530 . 1 . 1 125 125 SER H H 1 9.545 . . . . . . . . 212 S H . 52443 1 531 . 1 . 1 125 125 SER C C 13 173.687 . . . . . . . . 212 S CO . 52443 1 532 . 1 . 1 125 125 SER CA C 13 57.625 . . . . . . . . 212 S CA . 52443 1 533 . 1 . 1 125 125 SER CB C 13 67.475 . . . . . . . . 212 S CB . 52443 1 534 . 1 . 1 125 125 SER N N 15 122.360 . . . . . . . . 212 S N . 52443 1 535 . 1 . 1 126 126 ILE H H 1 8.529 . . . . . . . . 213 I H . 52443 1 536 . 1 . 1 126 126 ILE C C 13 175.104 . . . . . . . . 213 I CO . 52443 1 537 . 1 . 1 126 126 ILE CA C 13 60.470 . . . . . . . . 213 I CA . 52443 1 538 . 1 . 1 126 126 ILE CB C 13 41.475 . . . . . . . . 213 I CB . 52443 1 539 . 1 . 1 126 126 ILE N N 15 122.242 . . . . . . . . 213 I N . 52443 1 540 . 1 . 1 127 127 TYR H H 1 8.740 . . . . . . . . 214 Y H . 52443 1 541 . 1 . 1 127 127 TYR C C 13 176.223 . . . . . . . . 214 Y CO . 52443 1 542 . 1 . 1 127 127 TYR CA C 13 55.219 . . . . . . . . 214 Y CA . 52443 1 543 . 1 . 1 127 127 TYR CB C 13 43.365 . . . . . . . . 214 Y CB . 52443 1 544 . 1 . 1 127 127 TYR N N 15 121.812 . . . . . . . . 214 Y N . 52443 1 545 . 1 . 1 128 128 ASN H H 1 9.699 . . . . . . . . 215 N H . 52443 1 546 . 1 . 1 128 128 ASN C C 13 179.130 . . . . . . . . 215 N CO . 52443 1 547 . 1 . 1 128 128 ASN CA C 13 55.943 . . . . . . . . 215 N CA . 52443 1 548 . 1 . 1 128 128 ASN CB C 13 37.195 . . . . . . . . 215 N CB . 52443 1 549 . 1 . 1 128 128 ASN N N 15 114.161 . . . . . . . . 215 N N . 52443 1 550 . 1 . 1 129 129 ASP H H 1 8.296 . . . . . . . . 216 D H . 52443 1 551 . 1 . 1 129 129 ASP C C 13 175.513 . . . . . . . . 216 D CO . 52443 1 552 . 1 . 1 129 129 ASP CA C 13 58.178 . . . . . . . . 216 D CA . 52443 1 553 . 1 . 1 129 129 ASP CB C 13 40.960 . . . . . . . . 216 D CB . 52443 1 554 . 1 . 1 129 129 ASP N N 15 122.309 . . . . . . . . 216 D N . 52443 1 555 . 1 . 1 130 130 VAL H H 1 9.007 . . . . . . . . 217 V H . 52443 1 556 . 1 . 1 130 130 VAL C C 13 175.380 . . . . . . . . 217 V CO . 52443 1 557 . 1 . 1 130 130 VAL CA C 13 58.944 . . . . . . . . 217 V CA . 52443 1 558 . 1 . 1 130 130 VAL CB C 13 35.835 . . . . . . . . 217 V CB . 52443 1 559 . 1 . 1 130 130 VAL N N 15 116.103 . . . . . . . . 217 V N . 52443 1 560 . 1 . 1 131 131 THR H H 1 8.757 . . . . . . . . 218 T H . 52443 1 561 . 1 . 1 131 131 THR C C 13 174.695 . . . . . . . . 218 T CO . 52443 1 562 . 1 . 1 131 131 THR CA C 13 60.660 . . . . . . . . 218 T CA . 52443 1 563 . 1 . 1 131 131 THR CB C 13 70.375 . . . . . . . . 218 T CB . 52443 1 564 . 1 . 1 131 131 THR N N 15 113.477 . . . . . . . . 218 T N . 52443 1 565 . 1 . 1 132 132 LEU H H 1 8.899 . . . . . . . . 219 L H . 52443 1 566 . 1 . 1 132 132 LEU C C 13 176.523 . . . . . . . . 219 L CO . 52443 1 567 . 1 . 1 132 132 LEU CA C 13 53.966 . . . . . . . . 219 L CA . 52443 1 568 . 1 . 1 132 132 LEU CB C 13 46.282 . . . . . . . . 219 L CB . 52443 1 569 . 1 . 1 132 132 LEU N N 15 121.296 . . . . . . . . 219 L N . 52443 1 570 . 1 . 1 133 133 SER H H 1 9.046 . . . . . . . . 220 S H . 52443 1 571 . 1 . 1 133 133 SER C C 13 175.590 . . . . . . . . 220 S CO . 52443 1 572 . 1 . 1 133 133 SER CA C 13 59.148 . . . . . . . . 220 S CA . 52443 1 573 . 1 . 1 133 133 SER CB C 13 64.205 . . . . . . . . 220 S CB . 52443 1 574 . 1 . 1 133 133 SER N N 15 115.893 . . . . . . . . 220 S N . 52443 1 575 . 1 . 1 134 134 THR H H 1 7.672 . . . . . . . . 221 T H . 52443 1 576 . 1 . 1 134 134 THR C C 13 173.555 . . . . . . . . 221 T CO . 52443 1 577 . 1 . 1 134 134 THR CA C 13 61.714 . . . . . . . . 221 T CA . 52443 1 578 . 1 . 1 134 134 THR CB C 13 73.178 . . . . . . . . 221 T CB . 52443 1 579 . 1 . 1 134 134 THR N N 15 112.237 . . . . . . . . 221 T N . 52443 1 580 . 1 . 1 135 135 VAL H H 1 8.126 . . . . . . . . 222 V H . 52443 1 581 . 1 . 1 135 135 VAL C C 13 174.705 . . . . . . . . 222 V CO . 52443 1 582 . 1 . 1 135 135 VAL CA C 13 62.133 . . . . . . . . 222 V CA . 52443 1 583 . 1 . 1 135 135 VAL CB C 13 34.866 . . . . . . . . 222 V CB . 52443 1 584 . 1 . 1 135 135 VAL N N 15 122.633 . . . . . . . . 222 V N . 52443 1 585 . 1 . 1 136 136 ASN H H 1 8.928 . . . . . . . . 223 N H . 52443 1 586 . 1 . 1 136 136 ASN C C 13 173.974 . . . . . . . . 223 N CO . 52443 1 587 . 1 . 1 136 136 ASN CA C 13 51.943 . . . . . . . . 223 N CA . 52443 1 588 . 1 . 1 136 136 ASN CB C 13 43.105 . . . . . . . . 223 N CB . 52443 1 589 . 1 . 1 136 136 ASN N N 15 123.843 . . . . . . . . 223 N N . 52443 1 590 . 1 . 1 137 137 VAL H H 1 8.541 . . . . . . . . 224 V H . 52443 1 591 . 1 . 1 137 137 VAL C C 13 175.770 . . . . . . . . 224 V CO . 52443 1 592 . 1 . 1 137 137 VAL CA C 13 61.788 . . . . . . . . 224 V CA . 52443 1 593 . 1 . 1 137 137 VAL CB C 13 34.413 . . . . . . . . 224 V CB . 52443 1 594 . 1 . 1 137 137 VAL N N 15 121.982 . . . . . . . . 224 V N . 52443 1 595 . 1 . 1 138 138 GLU H H 1 9.120 . . . . . . . . 225 E H . 52443 1 596 . 1 . 1 138 138 GLU C C 13 174.658 . . . . . . . . 225 E CO . 52443 1 597 . 1 . 1 138 138 GLU CA C 13 54.457 . . . . . . . . 225 E CA . 52443 1 598 . 1 . 1 138 138 GLU CB C 13 34.590 . . . . . . . . 225 E CB . 52443 1 599 . 1 . 1 138 138 GLU N N 15 126.162 . . . . . . . . 225 E N . 52443 1 600 . 1 . 1 139 139 THR H H 1 8.685 . . . . . . . . 226 T H . 52443 1 601 . 1 . 1 139 139 THR C C 13 175.573 . . . . . . . . 226 T CO . 52443 1 602 . 1 . 1 139 139 THR CA C 13 61.845 . . . . . . . . 226 T CA . 52443 1 603 . 1 . 1 139 139 THR CB C 13 70.315 . . . . . . . . 226 T CB . 52443 1 604 . 1 . 1 139 139 THR N N 15 116.972 . . . . . . . . 226 T N . 52443 1 605 . 1 . 1 140 140 LEU H H 1 9.144 . . . . . . . . 227 L H . 52443 1 606 . 1 . 1 140 140 LEU C C 13 176.321 . . . . . . . . 227 L CO . 52443 1 607 . 1 . 1 140 140 LEU CA C 13 55.391 . . . . . . . . 227 L CA . 52443 1 608 . 1 . 1 140 140 LEU CB C 13 42.488 . . . . . . . . 227 L CB . 52443 1 609 . 1 . 1 140 140 LEU N N 15 129.874 . . . . . . . . 227 L N . 52443 1 610 . 1 . 1 141 141 GLN H H 1 8.006 . . . . . . . . 228 Q H . 52443 1 611 . 1 . 1 141 141 GLN C C 13 171.113 . . . . . . . . 228 Q CO . 52443 1 612 . 1 . 1 141 141 GLN CA C 13 57.689 . . . . . . . . 228 Q CA . 52443 1 613 . 1 . 1 141 141 GLN CB C 13 30.319 . . . . . . . . 228 Q CB . 52443 1 614 . 1 . 1 141 141 GLN N N 15 126.859 . . . . . . . . 228 Q N . 52443 1 stop_ save_