data_4795 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4795 _Entry.Title ; Chemical Shift Assignments for Human D187N Gelsolin Domain 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-07-25 _Entry.Accession_date 2000-07-25 _Entry.Last_release_date 2000-11-13 _Entry.Original_release_date 2000-11-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Steven Kazmirski . L. . 4795 2 Mark Howard . J. . 4795 3 Rivka Isaacson . L. . 4795 4 Alan Fersht . R. . 4795 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4795 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 342 4795 '13C chemical shifts' 201 4795 '15N chemical shifts' 94 4795 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 . . 2000-11-13 2000-07-25 original author . 4795 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4794 'wild type Gelsolin' 4795 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4795 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Elucidating the Mechanism of Familial Amyloidosis--Finnish Type: NMR Studies of Human Gelsolin Domain 2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 97 _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 10706 _Citation.Page_last 10711 _Citation.Year 2000 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Steven Kazmirski . L. . 4795 1 2 Mark Howard . J. . 4795 1 3 Rivka Isaacson . L. . 4795 1 4 Alan Fersht . R. . 4795 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_gelsolin _Assembly.Sf_category assembly _Assembly.Sf_framecode gelsolin _Assembly.Entry_ID 4795 _Assembly.ID 1 _Assembly.Name 'human D187N gelsolin domain 2' _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 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4795 1 stop_ 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 'D187N gelsolin domain 2' 1 $Gelsolin_Domain_2 . . . native . . . . . 4795 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 38 38 SG . 1 . 1 CYS 51 51 SG . . . . . . . . . . 4795 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'human D187N gelsolin domain 2' system 4795 1 gelsolin abbreviation 4795 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Actin binding protein' 4795 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Gelsolin_Domain_2 _Entity.Sf_category entity _Entity.Sf_framecode Gelsolin_Domain_2 _Entity.Entry_ID 4795 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Gelsolin Domain 2' _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 ; HVVPNEVVVQRLFQVKGRRV VRATEVPVSWESFNNGNCFI LDLGNNIHQWCGSNSNRYER LKATQVSKGIRDNERSGRAR VHVSEEGTEPEAMLQVLGPK PALPAGTEDTAKEDAA ; _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . EMBL CAI14414 . 'gelsolin (amyloidosis, Finnish type) [Homo sapiens]' . . . . . 78.45 228 98.90 100.00 1.09e-46 . . . . 4795 1 . . EMBL CAI14415 . 'gelsolin (amyloidosis, Finnish type) [Homo sapiens]' . . . . . 100.00 260 99.14 100.00 2.46e-62 . . . . 4795 1 . . BMRB 4794 . 'Gelsolin Domain 2' . . . . . 100.00 116 99.14 100.00 1.21e-61 . . . . 4795 1 . . PDB 1KCQ . 'Human Gelsolin Domain 2 With A Cd2+ Bound' . . . . . 89.66 104 99.04 100.00 1.42e-54 . . . . 4795 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Gelsolin Domain 2' common 4795 1 D187N variant 4795 1 'Gelsolin Domain 2' abbreviation 4795 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 151 HIS . 4795 1 2 152 VAL . 4795 1 3 153 VAL . 4795 1 4 154 PRO . 4795 1 5 155 ASN . 4795 1 6 156 GLU . 4795 1 7 157 VAL . 4795 1 8 158 VAL . 4795 1 9 159 VAL . 4795 1 10 160 GLN . 4795 1 11 161 ARG . 4795 1 12 161 LEU . 4795 1 13 163 PHE . 4795 1 14 164 GLN . 4795 1 15 165 VAL . 4795 1 16 166 LYS . 4795 1 17 167 GLY . 4795 1 18 168 ARG . 4795 1 19 169 ARG . 4795 1 20 170 VAL . 4795 1 21 171 VAL . 4795 1 22 172 ARG . 4795 1 23 273 ALA . 4795 1 24 274 THR . 4795 1 25 275 GLU . 4795 1 26 176 VAL . 4795 1 27 177 PRO . 4795 1 28 178 VAL . 4795 1 29 179 SER . 4795 1 30 180 TRP . 4795 1 31 181 GLU . 4795 1 32 182 SER . 4795 1 33 183 PHE . 4795 1 34 184 ASN . 4795 1 35 185 ASN . 4795 1 36 186 GLY . 4795 1 37 187 ASN . 4795 1 38 188 CYS . 4795 1 39 189 PHE . 4795 1 40 190 ILE . 4795 1 41 191 LEU . 4795 1 42 192 ASP . 4795 1 43 193 LEU . 4795 1 44 194 GLY . 4795 1 45 195 ASN . 4795 1 46 196 ASN . 4795 1 47 197 ILE . 4795 1 48 198 HIS . 4795 1 49 199 GLN . 4795 1 50 200 TRP . 4795 1 51 201 CYS . 4795 1 52 202 GLY . 4795 1 53 203 SER . 4795 1 54 204 ASN . 4795 1 55 205 SER . 4795 1 56 206 ASN . 4795 1 57 207 ARG . 4795 1 58 208 TYR . 4795 1 59 209 GLU . 4795 1 60 210 ARG . 4795 1 61 211 LEU . 4795 1 62 212 LYS . 4795 1 63 213 ALA . 4795 1 64 214 THR . 4795 1 65 215 GLN . 4795 1 66 216 VAL . 4795 1 67 217 SER . 4795 1 68 218 LYS . 4795 1 69 219 GLY . 4795 1 70 220 ILE . 4795 1 71 221 ARG . 4795 1 72 222 ASP . 4795 1 73 223 ASN . 4795 1 74 224 GLU . 4795 1 75 225 ARG . 4795 1 76 226 SER . 4795 1 77 227 GLY . 4795 1 78 228 ARG . 4795 1 79 229 ALA . 4795 1 80 230 ARG . 4795 1 81 231 VAL . 4795 1 82 232 HIS . 4795 1 83 233 VAL . 4795 1 84 234 SER . 4795 1 85 235 GLU . 4795 1 86 236 GLU . 4795 1 87 237 GLY . 4795 1 88 238 THR . 4795 1 89 239 GLU . 4795 1 90 240 PRO . 4795 1 91 241 GLU . 4795 1 92 242 ALA . 4795 1 93 243 MET . 4795 1 94 244 LEU . 4795 1 95 245 GLN . 4795 1 96 246 VAL . 4795 1 97 247 LEU . 4795 1 98 248 GLY . 4795 1 99 249 PRO . 4795 1 100 250 LYS . 4795 1 101 251 PRO . 4795 1 102 252 ALA . 4795 1 103 253 LEU . 4795 1 104 254 PRO . 4795 1 105 255 ALA . 4795 1 106 256 GLY . 4795 1 107 257 THR . 4795 1 108 258 GLU . 4795 1 109 259 ASP . 4795 1 110 260 THR . 4795 1 111 261 ALA . 4795 1 112 262 LYS . 4795 1 113 263 GLU . 4795 1 114 264 ASP . 4795 1 115 265 ALA . 4795 1 116 266 ALA . 4795 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 . HIS 1 1 4795 1 . VAL 2 2 4795 1 . VAL 3 3 4795 1 . PRO 4 4 4795 1 . ASN 5 5 4795 1 . GLU 6 6 4795 1 . VAL 7 7 4795 1 . VAL 8 8 4795 1 . VAL 9 9 4795 1 . GLN 10 10 4795 1 . ARG 11 11 4795 1 . LEU 12 12 4795 1 . PHE 13 13 4795 1 . GLN 14 14 4795 1 . VAL 15 15 4795 1 . LYS 16 16 4795 1 . GLY 17 17 4795 1 . ARG 18 18 4795 1 . ARG 19 19 4795 1 . VAL 20 20 4795 1 . VAL 21 21 4795 1 . ARG 22 22 4795 1 . ALA 23 23 4795 1 . THR 24 24 4795 1 . GLU 25 25 4795 1 . VAL 26 26 4795 1 . PRO 27 27 4795 1 . VAL 28 28 4795 1 . SER 29 29 4795 1 . TRP 30 30 4795 1 . GLU 31 31 4795 1 . SER 32 32 4795 1 . PHE 33 33 4795 1 . ASN 34 34 4795 1 . ASN 35 35 4795 1 . GLY 36 36 4795 1 . ASN 37 37 4795 1 . CYS 38 38 4795 1 . PHE 39 39 4795 1 . ILE 40 40 4795 1 . LEU 41 41 4795 1 . ASP 42 42 4795 1 . LEU 43 43 4795 1 . GLY 44 44 4795 1 . ASN 45 45 4795 1 . ASN 46 46 4795 1 . ILE 47 47 4795 1 . HIS 48 48 4795 1 . GLN 49 49 4795 1 . TRP 50 50 4795 1 . CYS 51 51 4795 1 . GLY 52 52 4795 1 . SER 53 53 4795 1 . ASN 54 54 4795 1 . SER 55 55 4795 1 . ASN 56 56 4795 1 . ARG 57 57 4795 1 . TYR 58 58 4795 1 . GLU 59 59 4795 1 . ARG 60 60 4795 1 . LEU 61 61 4795 1 . LYS 62 62 4795 1 . ALA 63 63 4795 1 . THR 64 64 4795 1 . GLN 65 65 4795 1 . VAL 66 66 4795 1 . SER 67 67 4795 1 . LYS 68 68 4795 1 . GLY 69 69 4795 1 . ILE 70 70 4795 1 . ARG 71 71 4795 1 . ASP 72 72 4795 1 . ASN 73 73 4795 1 . GLU 74 74 4795 1 . ARG 75 75 4795 1 . SER 76 76 4795 1 . GLY 77 77 4795 1 . ARG 78 78 4795 1 . ALA 79 79 4795 1 . ARG 80 80 4795 1 . VAL 81 81 4795 1 . HIS 82 82 4795 1 . VAL 83 83 4795 1 . SER 84 84 4795 1 . GLU 85 85 4795 1 . GLU 86 86 4795 1 . GLY 87 87 4795 1 . THR 88 88 4795 1 . GLU 89 89 4795 1 . PRO 90 90 4795 1 . GLU 91 91 4795 1 . ALA 92 92 4795 1 . MET 93 93 4795 1 . LEU 94 94 4795 1 . GLN 95 95 4795 1 . VAL 96 96 4795 1 . LEU 97 97 4795 1 . GLY 98 98 4795 1 . PRO 99 99 4795 1 . LYS 100 100 4795 1 . PRO 101 101 4795 1 . ALA 102 102 4795 1 . LEU 103 103 4795 1 . PRO 104 104 4795 1 . ALA 105 105 4795 1 . GLY 106 106 4795 1 . THR 107 107 4795 1 . GLU 108 108 4795 1 . ASP 109 109 4795 1 . THR 110 110 4795 1 . ALA 111 111 4795 1 . LYS 112 112 4795 1 . GLU 113 113 4795 1 . ASP 114 114 4795 1 . ALA 115 115 4795 1 . ALA 116 116 4795 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 4795 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Gelsolin_Domain_2 . 9606 . . 'Homo sapien' Human . . Eukaryota Metazoa Homo sapien . . . . . . . . . . . . . . . . . . . . . 4795 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 4795 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Gelsolin_Domain_2 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4795 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4795 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Gelsolin Domain 2' '[U-13C; U-15N]' . . 1 $Gelsolin_Domain_2 . . 0.5 . . mM . . . . 4795 1 stop_ save_ ####################### # Sample conditions # ####################### save_Cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Cond_1 _Sample_condition_list.Entry_ID 4795 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 0.2 n/a 4795 1 temperature 298 0.2 K 4795 1 'ionic strength' 20 . mM 4795 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 4795 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4795 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4795 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AMX . 500 . . . 4795 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 4795 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 4795 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4795 1 2 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4795 1 3 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4795 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4795 1 5 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4795 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4795 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4795 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4795 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4795 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4795 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4795 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4795 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4795 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4795 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4795 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4795 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 PRO CB C 13 31.50 0.1 . 1 . . . . . . . . 4795 1 2 . 1 1 4 4 PRO CA C 13 62.63 0.1 . 1 . . . . . . . . 4795 1 3 . 1 1 5 5 ASN N N 15 118.67 0.1 . 1 . . . . . . . . 4795 1 4 . 1 1 5 5 ASN H H 1 8.44 0.01 . 1 . . . . . . . . 4795 1 5 . 1 1 5 5 ASN CA C 13 52.87 0.1 . 1 . . . . . . . . 4795 1 6 . 1 1 5 5 ASN HA H 1 4.35 0.01 . 1 . . . . . . . . 4795 1 7 . 1 1 5 5 ASN CB C 13 38.27 0.1 . 1 . . . . . . . . 4795 1 8 . 1 1 5 5 ASN HB2 H 1 2.77 0.01 . 1 . . . . . . . . 4795 1 9 . 1 1 5 5 ASN HB3 H 1 2.77 0.01 . 1 . . . . . . . . 4795 1 10 . 1 1 6 6 GLU N N 15 121.13 0.1 . 1 . . . . . . . . 4795 1 11 . 1 1 6 6 GLU H H 1 8.25 0.01 . 1 . . . . . . . . 4795 1 12 . 1 1 6 6 GLU CA C 13 55.82 0.1 . 1 . . . . . . . . 4795 1 13 . 1 1 6 6 GLU HA H 1 4.29 0.01 . 1 . . . . . . . . 4795 1 14 . 1 1 6 6 GLU CB C 13 29.95 0.1 . 1 . . . . . . . . 4795 1 15 . 1 1 6 6 GLU HB2 H 1 1.94 0.01 . 1 . . . . . . . . 4795 1 16 . 1 1 6 6 GLU HB3 H 1 1.94 0.01 . 1 . . . . . . . . 4795 1 17 . 1 1 7 7 VAL N N 15 122.67 0.1 . 1 . . . . . . . . 4795 1 18 . 1 1 7 7 VAL H H 1 8.19 0.01 . 1 . . . . . . . . 4795 1 19 . 1 1 7 7 VAL CA C 13 61.76 0.1 . 1 . . . . . . . . 4795 1 20 . 1 1 7 7 VAL HA H 1 4.07 0.01 . 1 . . . . . . . . 4795 1 21 . 1 1 7 7 VAL CB C 13 32.06 0.1 . 1 . . . . . . . . 4795 1 22 . 1 1 7 7 VAL HB H 1 1.97 0.01 . 1 . . . . . . . . 4795 1 23 . 1 1 7 7 VAL HG11 H 1 0.91 0.01 . 1 . . . . . . . . 4795 1 24 . 1 1 7 7 VAL HG12 H 1 0.91 0.01 . 1 . . . . . . . . 4795 1 25 . 1 1 7 7 VAL HG13 H 1 0.91 0.01 . 1 . . . . . . . . 4795 1 26 . 1 1 7 7 VAL HG21 H 1 0.91 0.01 . 1 . . . . . . . . 4795 1 27 . 1 1 7 7 VAL HG22 H 1 0.91 0.01 . 1 . . . . . . . . 4795 1 28 . 1 1 7 7 VAL HG23 H 1 0.91 0.01 . 1 . . . . . . . . 4795 1 29 . 1 1 8 8 VAL N N 15 126.53 0.1 . 1 . . . . . . . . 4795 1 30 . 1 1 8 8 VAL H H 1 8.30 0.01 . 1 . . . . . . . . 4795 1 31 . 1 1 8 8 VAL CA C 13 61.74 0.1 . 1 . . . . . . . . 4795 1 32 . 1 1 8 8 VAL HA H 1 4.38 0.01 . 1 . . . . . . . . 4795 1 33 . 1 1 8 8 VAL CB C 13 32.06 0.1 . 1 . . . . . . . . 4795 1 34 . 1 1 8 8 VAL HB H 1 2.03 0.01 . 1 . . . . . . . . 4795 1 35 . 1 1 8 8 VAL HG11 H 1 0.93 0.01 . 1 . . . . . . . . 4795 1 36 . 1 1 8 8 VAL HG12 H 1 0.93 0.01 . 1 . . . . . . . . 4795 1 37 . 1 1 8 8 VAL HG13 H 1 0.93 0.01 . 1 . . . . . . . . 4795 1 38 . 1 1 8 8 VAL HG21 H 1 0.93 0.01 . 1 . . . . . . . . 4795 1 39 . 1 1 8 8 VAL HG22 H 1 0.93 0.01 . 1 . . . . . . . . 4795 1 40 . 1 1 8 8 VAL HG23 H 1 0.93 0.01 . 1 . . . . . . . . 4795 1 41 . 1 1 9 9 VAL N N 15 127.45 0.1 . 1 . . . . . . . . 4795 1 42 . 1 1 9 9 VAL H H 1 8.21 0.01 . 1 . . . . . . . . 4795 1 43 . 1 1 9 9 VAL CA C 13 61.39 0.1 . 1 . . . . . . . . 4795 1 44 . 1 1 9 9 VAL HA H 1 3.98 0.01 . 1 . . . . . . . . 4795 1 45 . 1 1 9 9 VAL CB C 13 33.11 0.1 . 1 . . . . . . . . 4795 1 46 . 1 1 9 9 VAL HB H 1 1.64 0.01 . 1 . . . . . . . . 4795 1 47 . 1 1 9 9 VAL HG11 H 1 0.81 0.01 . 1 . . . . . . . . 4795 1 48 . 1 1 9 9 VAL HG12 H 1 0.81 0.01 . 1 . . . . . . . . 4795 1 49 . 1 1 9 9 VAL HG13 H 1 0.81 0.01 . 1 . . . . . . . . 4795 1 50 . 1 1 9 9 VAL HG21 H 1 0.81 0.01 . 1 . . . . . . . . 4795 1 51 . 1 1 9 9 VAL HG22 H 1 0.81 0.01 . 1 . . . . . . . . 4795 1 52 . 1 1 9 9 VAL HG23 H 1 0.81 0.01 . 1 . . . . . . . . 4795 1 53 . 1 1 10 10 GLN N N 15 124.03 0.1 . 1 . . . . . . . . 4795 1 54 . 1 1 10 10 GLN H H 1 8.26 0.01 . 1 . . . . . . . . 4795 1 55 . 1 1 10 10 GLN CA C 13 55.22 0.1 . 1 . . . . . . . . 4795 1 56 . 1 1 10 10 GLN HA H 1 4.92 0.01 . 1 . . . . . . . . 4795 1 57 . 1 1 10 10 GLN CB C 13 29.93 0.1 . 1 . . . . . . . . 4795 1 58 . 1 1 11 11 ARG N N 15 121.13 0.1 . 1 . . . . . . . . 4795 1 59 . 1 1 11 11 ARG H H 1 8.58 0.01 . 1 . . . . . . . . 4795 1 60 . 1 1 11 11 ARG CA C 13 53.85 0.1 . 1 . . . . . . . . 4795 1 61 . 1 1 11 11 ARG CB C 13 34.24 0.1 . 1 . . . . . . . . 4795 1 62 . 1 1 11 11 ARG HB2 H 1 1.60 0.01 . 1 . . . . . . . . 4795 1 63 . 1 1 11 11 ARG HB3 H 1 1.60 0.01 . 1 . . . . . . . . 4795 1 64 . 1 1 12 12 LEU N N 15 124.06 0.1 . 1 . . . . . . . . 4795 1 65 . 1 1 12 12 LEU H H 1 8.78 0.01 . 1 . . . . . . . . 4795 1 66 . 1 1 12 12 LEU CA C 13 52.33 0.1 . 1 . . . . . . . . 4795 1 67 . 1 1 12 12 LEU HA H 1 5.57 0.01 . 1 . . . . . . . . 4795 1 68 . 1 1 12 12 LEU CB C 13 45.96 0.1 . 1 . . . . . . . . 4795 1 69 . 1 1 12 12 LEU HB2 H 1 2.00 0.01 . 1 . . . . . . . . 4795 1 70 . 1 1 12 12 LEU HB3 H 1 2.00 0.01 . 1 . . . . . . . . 4795 1 71 . 1 1 13 13 PHE N N 15 121.29 0.1 . 1 . . . . . . . . 4795 1 72 . 1 1 13 13 PHE H H 1 9.16 0.01 . 1 . . . . . . . . 4795 1 73 . 1 1 13 13 PHE CA C 13 55.44 0.1 . 1 . . . . . . . . 4795 1 74 . 1 1 13 13 PHE HA H 1 5.29 0.01 . 1 . . . . . . . . 4795 1 75 . 1 1 13 13 PHE CB C 13 41.12 0.1 . 1 . . . . . . . . 4795 1 76 . 1 1 13 13 PHE HB2 H 1 2.65 0.01 . 1 . . . . . . . . 4795 1 77 . 1 1 13 13 PHE HB3 H 1 2.65 0.01 . 1 . . . . . . . . 4795 1 78 . 1 1 14 14 GLN N N 15 123.75 0.1 . 1 . . . . . . . . 4795 1 79 . 1 1 14 14 GLN H H 1 9.48 0.01 . 1 . . . . . . . . 4795 1 80 . 1 1 14 14 GLN CA C 13 53.94 0.1 . 1 . . . . . . . . 4795 1 81 . 1 1 14 14 GLN HA H 1 4.07 0.01 . 1 . . . . . . . . 4795 1 82 . 1 1 14 14 GLN CB C 13 30.94 0.1 . 1 . . . . . . . . 4795 1 83 . 1 1 15 15 VAL N N 15 128.53 0.1 . 1 . . . . . . . . 4795 1 84 . 1 1 15 15 VAL H H 1 8.63 0.01 . 1 . . . . . . . . 4795 1 85 . 1 1 15 15 VAL CA C 13 61.34 0.1 . 1 . . . . . . . . 4795 1 86 . 1 1 16 16 LYS N N 15 126.22 0.1 . 1 . . . . . . . . 4795 1 87 . 1 1 16 16 LYS H H 1 8.17 0.01 . 1 . . . . . . . . 4795 1 88 . 1 1 16 16 LYS CA C 13 53.66 0.1 . 1 . . . . . . . . 4795 1 89 . 1 1 16 16 LYS HA H 1 4.31 0.01 . 1 . . . . . . . . 4795 1 90 . 1 1 16 16 LYS CB C 13 37.22 0.1 . 1 . . . . . . . . 4795 1 91 . 1 1 16 16 LYS HB2 H 1 1.36 0.01 . 1 . . . . . . . . 4795 1 92 . 1 1 16 16 LYS HB3 H 1 1.36 0.01 . 1 . . . . . . . . 4795 1 93 . 1 1 17 17 GLY N N 15 118.77 0.1 . 1 . . . . . . . . 4795 1 94 . 1 1 17 17 GLY H H 1 10.23 0.01 . 1 . . . . . . . . 4795 1 95 . 1 1 17 17 GLY CA C 13 44.57 0.1 . 1 . . . . . . . . 4795 1 96 . 1 1 17 17 GLY HA2 H 1 4.89 0.01 . 2 . . . . . . . . 4795 1 97 . 1 1 17 17 GLY HA3 H 1 3.86 0.01 . 2 . . . . . . . . 4795 1 98 . 1 1 18 18 ARG N N 15 120.05 0.1 . 1 . . . . . . . . 4795 1 99 . 1 1 18 18 ARG H H 1 8.18 0.01 . 1 . . . . . . . . 4795 1 100 . 1 1 18 18 ARG CA C 13 57.18 0.1 . 1 . . . . . . . . 4795 1 101 . 1 1 18 18 ARG HA H 1 4.23 0.01 . 1 . . . . . . . . 4795 1 102 . 1 1 18 18 ARG CB C 13 30.51 0.1 . 1 . . . . . . . . 4795 1 103 . 1 1 18 18 ARG HB2 H 1 1.77 0.01 . 2 . . . . . . . . 4795 1 104 . 1 1 18 18 ARG HB3 H 1 1.57 0.01 . 2 . . . . . . . . 4795 1 105 . 1 1 20 20 VAL CA C 13 61.84 0.1 . 1 . . . . . . . . 4795 1 106 . 1 1 20 20 VAL CB C 13 31.77 0.1 . 1 . . . . . . . . 4795 1 107 . 1 1 21 21 VAL N N 15 127.61 0.1 . 1 . . . . . . . . 4795 1 108 . 1 1 21 21 VAL H H 1 8.42 0.01 . 1 . . . . . . . . 4795 1 109 . 1 1 21 21 VAL CA C 13 60.84 0.1 . 1 . . . . . . . . 4795 1 110 . 1 1 21 21 VAL HA H 1 4.23 0.01 . 1 . . . . . . . . 4795 1 111 . 1 1 21 21 VAL CB C 13 31.74 0.1 . 1 . . . . . . . . 4795 1 112 . 1 1 21 21 VAL HB H 1 1.66 0.01 . 1 . . . . . . . . 4795 1 113 . 1 1 21 21 VAL HG11 H 1 0.61 0.01 . 1 . . . . . . . . 4795 1 114 . 1 1 21 21 VAL HG12 H 1 0.61 0.01 . 1 . . . . . . . . 4795 1 115 . 1 1 21 21 VAL HG13 H 1 0.61 0.01 . 1 . . . . . . . . 4795 1 116 . 1 1 21 21 VAL HG21 H 1 0.61 0.01 . 1 . . . . . . . . 4795 1 117 . 1 1 21 21 VAL HG22 H 1 0.61 0.01 . 1 . . . . . . . . 4795 1 118 . 1 1 21 21 VAL HG23 H 1 0.61 0.01 . 1 . . . . . . . . 4795 1 119 . 1 1 22 22 ARG N N 15 125.45 0.1 . 1 . . . . . . . . 4795 1 120 . 1 1 22 22 ARG H H 1 8.10 0.01 . 1 . . . . . . . . 4795 1 121 . 1 1 22 22 ARG CA C 13 53.78 0.1 . 1 . . . . . . . . 4795 1 122 . 1 1 22 22 ARG HA H 1 4.67 0.01 . 1 . . . . . . . . 4795 1 123 . 1 1 22 22 ARG CB C 13 32.85 0.1 . 1 . . . . . . . . 4795 1 124 . 1 1 22 22 ARG HB2 H 1 1.69 0.01 . 1 . . . . . . . . 4795 1 125 . 1 1 22 22 ARG HB3 H 1 1.69 0.01 . 1 . . . . . . . . 4795 1 126 . 1 1 23 23 ALA N N 15 125.60 0.1 . 1 . . . . . . . . 4795 1 127 . 1 1 23 23 ALA H H 1 8.77 0.01 . 1 . . . . . . . . 4795 1 128 . 1 1 23 23 ALA CA C 13 49.34 0.1 . 1 . . . . . . . . 4795 1 129 . 1 1 23 23 ALA HA H 1 5.68 0.01 . 1 . . . . . . . . 4795 1 130 . 1 1 23 23 ALA CB C 13 20.46 0.1 . 1 . . . . . . . . 4795 1 131 . 1 1 23 23 ALA HB1 H 1 1.09 0.01 . 1 . . . . . . . . 4795 1 132 . 1 1 23 23 ALA HB2 H 1 1.09 0.01 . 1 . . . . . . . . 4795 1 133 . 1 1 23 23 ALA HB3 H 1 1.09 0.01 . 1 . . . . . . . . 4795 1 134 . 1 1 24 24 THR N N 15 117.43 0.1 . 1 . . . . . . . . 4795 1 135 . 1 1 24 24 THR H H 1 8.95 0.01 . 1 . . . . . . . . 4795 1 136 . 1 1 24 24 THR CA C 13 59.89 0.1 . 1 . . . . . . . . 4795 1 137 . 1 1 24 24 THR CB C 13 71.12 0.1 . 1 . . . . . . . . 4795 1 138 . 1 1 24 24 THR HB H 1 4.01 0.01 . 1 . . . . . . . . 4795 1 139 . 1 1 24 24 THR HG21 H 1 1.25 0.01 . 1 . . . . . . . . 4795 1 140 . 1 1 24 24 THR HG22 H 1 1.25 0.01 . 1 . . . . . . . . 4795 1 141 . 1 1 24 24 THR HG23 H 1 1.25 0.01 . 1 . . . . . . . . 4795 1 142 . 1 1 25 25 GLU N N 15 127.61 0.1 . 1 . . . . . . . . 4795 1 143 . 1 1 25 25 GLU H H 1 9.03 0.01 . 1 . . . . . . . . 4795 1 144 . 1 1 25 25 GLU CA C 13 56.68 0.1 . 1 . . . . . . . . 4795 1 145 . 1 1 25 25 GLU HA H 1 4.55 0.01 . 1 . . . . . . . . 4795 1 146 . 1 1 25 25 GLU CB C 13 29.21 0.1 . 1 . . . . . . . . 4795 1 147 . 1 1 25 25 GLU HB2 H 1 1.77 0.01 . 1 . . . . . . . . 4795 1 148 . 1 1 25 25 GLU HB3 H 1 1.77 0.01 . 1 . . . . . . . . 4795 1 149 . 1 1 26 26 VAL N N 15 120.21 0.1 . 1 . . . . . . . . 4795 1 150 . 1 1 26 26 VAL H H 1 8.65 0.01 . 1 . . . . . . . . 4795 1 151 . 1 1 26 26 VAL CA C 13 58.11 0.1 . 1 . . . . . . . . 4795 1 152 . 1 1 26 26 VAL HA H 1 4.83 0.01 . 1 . . . . . . . . 4795 1 153 . 1 1 26 26 VAL CB C 13 32.63 0.1 . 1 . . . . . . . . 4795 1 154 . 1 1 27 27 PRO CA C 13 62.32 0.1 . 1 . . . . . . . . 4795 1 155 . 1 1 27 27 PRO CB C 13 31.52 0.1 . 1 . . . . . . . . 4795 1 156 . 1 1 28 28 VAL N N 15 123.60 0.1 . 1 . . . . . . . . 4795 1 157 . 1 1 28 28 VAL H H 1 8.76 0.01 . 1 . . . . . . . . 4795 1 158 . 1 1 28 28 VAL CA C 13 62.22 0.1 . 1 . . . . . . . . 4795 1 159 . 1 1 28 28 VAL HA H 1 3.49 0.01 . 1 . . . . . . . . 4795 1 160 . 1 1 28 28 VAL CB C 13 28.65 0.1 . 1 . . . . . . . . 4795 1 161 . 1 1 29 29 SER N N 15 121.29 0.1 . 1 . . . . . . . . 4795 1 162 . 1 1 29 29 SER H H 1 7.23 0.01 . 1 . . . . . . . . 4795 1 163 . 1 1 29 29 SER CA C 13 55.76 0.1 . 1 . . . . . . . . 4795 1 164 . 1 1 29 29 SER HA H 1 4.52 0.01 . 1 . . . . . . . . 4795 1 165 . 1 1 29 29 SER CB C 13 63.23 0.1 . 1 . . . . . . . . 4795 1 166 . 1 1 29 29 SER HB2 H 1 3.18 0.01 . 1 . . . . . . . . 4795 1 167 . 1 1 29 29 SER HB3 H 1 3.18 0.01 . 1 . . . . . . . . 4795 1 168 . 1 1 30 30 TRP N N 15 127.68 0.1 . 1 . . . . . . . . 4795 1 169 . 1 1 30 30 TRP H H 1 9.62 0.01 . 1 . . . . . . . . 4795 1 170 . 1 1 30 30 TRP CA C 13 60.06 0.1 . 1 . . . . . . . . 4795 1 171 . 1 1 30 30 TRP CB C 13 29.84 0.1 . 1 . . . . . . . . 4795 1 172 . 1 1 31 31 GLU N N 15 118.05 0.1 . 1 . . . . . . . . 4795 1 173 . 1 1 31 31 GLU H H 1 8.77 0.01 . 1 . . . . . . . . 4795 1 174 . 1 1 31 31 GLU CA C 13 58.36 0.1 . 1 . . . . . . . . 4795 1 175 . 1 1 31 31 GLU HA H 1 4.11 0.01 . 1 . . . . . . . . 4795 1 176 . 1 1 31 31 GLU CB C 13 28.69 0.1 . 1 . . . . . . . . 4795 1 177 . 1 1 32 32 SER N N 15 112.96 0.1 . 1 . . . . . . . . 4795 1 178 . 1 1 32 32 SER H H 1 7.54 0.01 . 1 . . . . . . . . 4795 1 179 . 1 1 32 32 SER CA C 13 58.39 0.1 . 1 . . . . . . . . 4795 1 180 . 1 1 32 32 SER HA H 1 4.37 0.01 . 1 . . . . . . . . 4795 1 181 . 1 1 32 32 SER CB C 13 63.38 0.1 . 1 . . . . . . . . 4795 1 182 . 1 1 32 32 SER HB2 H 1 4.00 0.01 . 1 . . . . . . . . 4795 1 183 . 1 1 32 32 SER HB3 H 1 4.00 0.01 . 1 . . . . . . . . 4795 1 184 . 1 1 33 33 PHE N N 15 119.13 0.1 . 1 . . . . . . . . 4795 1 185 . 1 1 33 33 PHE H H 1 7.73 0.01 . 1 . . . . . . . . 4795 1 186 . 1 1 33 33 PHE CA C 13 58.29 0.1 . 1 . . . . . . . . 4795 1 187 . 1 1 33 33 PHE HA H 1 3.45 0.01 . 1 . . . . . . . . 4795 1 188 . 1 1 33 33 PHE CB C 13 40.58 0.1 . 1 . . . . . . . . 4795 1 189 . 1 1 34 34 ASN N N 15 112.50 0.1 . 1 . . . . . . . . 4795 1 190 . 1 1 34 34 ASN H H 1 7.23 0.01 . 1 . . . . . . . . 4795 1 191 . 1 1 34 34 ASN CA C 13 53.28 0.1 . 1 . . . . . . . . 4795 1 192 . 1 1 34 34 ASN CB C 13 40.98 0.1 . 1 . . . . . . . . 4795 1 193 . 1 1 37 37 ASN CA C 13 51.07 0.1 . 1 . . . . . . . . 4795 1 194 . 1 1 37 37 ASN CB C 13 42.44 0.1 . 1 . . . . . . . . 4795 1 195 . 1 1 38 38 CYS N N 15 114.35 0.1 . 1 . . . . . . . . 4795 1 196 . 1 1 38 38 CYS H H 1 7.63 0.01 . 1 . . . . . . . . 4795 1 197 . 1 1 38 38 CYS CA C 13 57.03 0.1 . 1 . . . . . . . . 4795 1 198 . 1 1 38 38 CYS CB C 13 48.79 0.1 . 1 . . . . . . . . 4795 1 199 . 1 1 39 39 PHE CA C 13 56.28 0.1 . 1 . . . . . . . . 4795 1 200 . 1 1 39 39 PHE CB C 13 43.56 0.1 . 1 . . . . . . . . 4795 1 201 . 1 1 40 40 ILE N N 15 120.36 0.1 . 1 . . . . . . . . 4795 1 202 . 1 1 40 40 ILE H H 1 9.09 0.01 . 1 . . . . . . . . 4795 1 203 . 1 1 40 40 ILE CA C 13 58.37 0.1 . 1 . . . . . . . . 4795 1 204 . 1 1 40 40 ILE HA H 1 5.20 0.01 . 1 . . . . . . . . 4795 1 205 . 1 1 40 40 ILE CB C 13 40.25 0.1 . 1 . . . . . . . . 4795 1 206 . 1 1 40 40 ILE HB H 1 1.89 0.01 . 1 . . . . . . . . 4795 1 207 . 1 1 41 41 LEU N N 15 130.54 0.1 . 1 . . . . . . . . 4795 1 208 . 1 1 41 41 LEU H H 1 9.83 0.01 . 1 . . . . . . . . 4795 1 209 . 1 1 41 41 LEU CA C 13 52.91 0.1 . 1 . . . . . . . . 4795 1 210 . 1 1 41 41 LEU HA H 1 5.22 0.01 . 1 . . . . . . . . 4795 1 211 . 1 1 41 41 LEU CB C 13 42.77 0.1 . 1 . . . . . . . . 4795 1 212 . 1 1 41 41 LEU HB2 H 1 2.30 0.01 . 1 . . . . . . . . 4795 1 213 . 1 1 41 41 LEU HB3 H 1 2.30 0.01 . 1 . . . . . . . . 4795 1 214 . 1 1 42 42 ASP N N 15 129.77 0.1 . 1 . . . . . . . . 4795 1 215 . 1 1 42 42 ASP H H 1 9.58 0.01 . 1 . . . . . . . . 4795 1 216 . 1 1 42 42 ASP CA C 13 53.11 0.1 . 1 . . . . . . . . 4795 1 217 . 1 1 42 42 ASP CB C 13 42.05 0.1 . 1 . . . . . . . . 4795 1 218 . 1 1 42 42 ASP HB2 H 1 2.40 0.01 . 1 . . . . . . . . 4795 1 219 . 1 1 42 42 ASP HB3 H 1 2.40 0.01 . 1 . . . . . . . . 4795 1 220 . 1 1 43 43 LEU N N 15 122.52 0.1 . 1 . . . . . . . . 4795 1 221 . 1 1 43 43 LEU H H 1 8.14 0.01 . 1 . . . . . . . . 4795 1 222 . 1 1 43 43 LEU CA C 13 52.29 0.1 . 1 . . . . . . . . 4795 1 223 . 1 1 43 43 LEU HA H 1 5.19 0.01 . 1 . . . . . . . . 4795 1 224 . 1 1 43 43 LEU CB C 13 41.16 0.1 . 1 . . . . . . . . 4795 1 225 . 1 1 43 43 LEU HB2 H 1 2.06 0.01 . 1 . . . . . . . . 4795 1 226 . 1 1 43 43 LEU HB3 H 1 2.06 0.01 . 1 . . . . . . . . 4795 1 227 . 1 1 44 44 GLY N N 15 111.42 0.1 . 1 . . . . . . . . 4795 1 228 . 1 1 44 44 GLY H H 1 8.59 0.01 . 1 . . . . . . . . 4795 1 229 . 1 1 44 44 GLY CA C 13 45.52 0.1 . 1 . . . . . . . . 4795 1 230 . 1 1 44 44 GLY HA2 H 1 4.47 0.01 . 2 . . . . . . . . 4795 1 231 . 1 1 44 44 GLY HA3 H 1 3.30 0.01 . 2 . . . . . . . . 4795 1 232 . 1 1 45 45 ASN CA C 13 53.17 0.1 . 1 . . . . . . . . 4795 1 233 . 1 1 45 45 ASN CB C 13 37.36 0.1 . 1 . . . . . . . . 4795 1 234 . 1 1 46 46 ASN N N 15 116.51 0.1 . 1 . . . . . . . . 4795 1 235 . 1 1 46 46 ASN H H 1 7.04 0.01 . 1 . . . . . . . . 4795 1 236 . 1 1 46 46 ASN CA C 13 52.24 0.1 . 1 . . . . . . . . 4795 1 237 . 1 1 46 46 ASN HA H 1 5.50 0.01 . 1 . . . . . . . . 4795 1 238 . 1 1 46 46 ASN CB C 13 44.10 0.1 . 1 . . . . . . . . 4795 1 239 . 1 1 46 46 ASN HB2 H 1 2.67 0.01 . 1 . . . . . . . . 4795 1 240 . 1 1 46 46 ASN HB3 H 1 2.67 0.01 . 1 . . . . . . . . 4795 1 241 . 1 1 47 47 ILE N N 15 123.14 0.1 . 1 . . . . . . . . 4795 1 242 . 1 1 47 47 ILE H H 1 9.06 0.01 . 1 . . . . . . . . 4795 1 243 . 1 1 47 47 ILE CA C 13 59.63 0.1 . 1 . . . . . . . . 4795 1 244 . 1 1 47 47 ILE HA H 1 4.65 0.01 . 1 . . . . . . . . 4795 1 245 . 1 1 47 47 ILE CB C 13 41.02 0.1 . 1 . . . . . . . . 4795 1 246 . 1 1 47 47 ILE HB H 1 1.49 0.01 . 1 . . . . . . . . 4795 1 247 . 1 1 48 48 HIS N N 15 127.76 0.1 . 1 . . . . . . . . 4795 1 248 . 1 1 48 48 HIS H H 1 9.57 0.01 . 1 . . . . . . . . 4795 1 249 . 1 1 48 48 HIS CA C 13 55.46 0.1 . 1 . . . . . . . . 4795 1 250 . 1 1 48 48 HIS HA H 1 5.10 0.01 . 1 . . . . . . . . 4795 1 251 . 1 1 48 48 HIS CB C 13 32.30 0.1 . 1 . . . . . . . . 4795 1 252 . 1 1 48 48 HIS HB2 H 1 3.27 0.01 . 1 . . . . . . . . 4795 1 253 . 1 1 48 48 HIS HB3 H 1 3.27 0.01 . 1 . . . . . . . . 4795 1 254 . 1 1 49 49 GLN N N 15 127.30 0.1 . 1 . . . . . . . . 4795 1 255 . 1 1 49 49 GLN H H 1 9.21 0.01 . 1 . . . . . . . . 4795 1 256 . 1 1 49 49 GLN CA C 13 54.10 0.1 . 1 . . . . . . . . 4795 1 257 . 1 1 49 49 GLN HA H 1 5.02 0.01 . 1 . . . . . . . . 4795 1 258 . 1 1 49 49 GLN CB C 13 30.52 0.1 . 1 . . . . . . . . 4795 1 259 . 1 1 50 50 TRP N N 15 130.38 0.1 . 1 . . . . . . . . 4795 1 260 . 1 1 50 50 TRP H H 1 9.44 0.01 . 1 . . . . . . . . 4795 1 261 . 1 1 50 50 TRP CA C 13 56.06 0.1 . 1 . . . . . . . . 4795 1 262 . 1 1 50 50 TRP HA H 1 5.53 0.01 . 1 . . . . . . . . 4795 1 263 . 1 1 50 50 TRP CB C 13 33.72 0.1 . 1 . . . . . . . . 4795 1 264 . 1 1 50 50 TRP HB2 H 1 3.47 0.01 . 1 . . . . . . . . 4795 1 265 . 1 1 50 50 TRP HB3 H 1 3.47 0.01 . 1 . . . . . . . . 4795 1 266 . 1 1 51 51 CYS N N 15 123.14 0.1 . 1 . . . . . . . . 4795 1 267 . 1 1 51 51 CYS H H 1 7.39 0.01 . 1 . . . . . . . . 4795 1 268 . 1 1 51 51 CYS CA C 13 55.78 0.1 . 1 . . . . . . . . 4795 1 269 . 1 1 51 51 CYS HA H 1 5.32 0.01 . 1 . . . . . . . . 4795 1 270 . 1 1 51 51 CYS CB C 13 45.91 0.1 . 1 . . . . . . . . 4795 1 271 . 1 1 52 52 GLY N N 15 108.49 0.1 . 1 . . . . . . . . 4795 1 272 . 1 1 52 52 GLY H H 1 8.19 0.01 . 1 . . . . . . . . 4795 1 273 . 1 1 52 52 GLY CA C 13 44.66 0.1 . 1 . . . . . . . . 4795 1 274 . 1 1 52 52 GLY HA2 H 1 3.97 0.01 . 1 . . . . . . . . 4795 1 275 . 1 1 52 52 GLY HA3 H 1 3.97 0.01 . 1 . . . . . . . . 4795 1 276 . 1 1 53 53 SER CA C 13 61.00 0.1 . 1 . . . . . . . . 4795 1 277 . 1 1 53 53 SER CB C 13 62.52 0.1 . 1 . . . . . . . . 4795 1 278 . 1 1 54 54 ASN N N 15 117.28 0.1 . 1 . . . . . . . . 4795 1 279 . 1 1 54 54 ASN H H 1 8.64 0.01 . 1 . . . . . . . . 4795 1 280 . 1 1 54 54 ASN CA C 13 51.00 0.1 . 1 . . . . . . . . 4795 1 281 . 1 1 54 54 ASN HA H 1 5.13 0.01 . 1 . . . . . . . . 4795 1 282 . 1 1 54 54 ASN CB C 13 37.53 0.1 . 1 . . . . . . . . 4795 1 283 . 1 1 54 54 ASN HB2 H 1 2.60 0.01 . 1 . . . . . . . . 4795 1 284 . 1 1 54 54 ASN HB3 H 1 2.60 0.01 . 1 . . . . . . . . 4795 1 285 . 1 1 55 55 SER N N 15 116.66 0.1 . 1 . . . . . . . . 4795 1 286 . 1 1 55 55 SER H H 1 7.44 0.01 . 1 . . . . . . . . 4795 1 287 . 1 1 55 55 SER CA C 13 57.09 0.1 . 1 . . . . . . . . 4795 1 288 . 1 1 55 55 SER CB C 13 62.96 0.1 . 1 . . . . . . . . 4795 1 289 . 1 1 56 56 ASN N N 15 121.60 0.1 . 1 . . . . . . . . 4795 1 290 . 1 1 56 56 ASN H H 1 9.67 0.01 . 1 . . . . . . . . 4795 1 291 . 1 1 56 56 ASN CA C 13 51.03 0.1 . 1 . . . . . . . . 4795 1 292 . 1 1 56 56 ASN HA H 1 5.10 0.01 . 1 . . . . . . . . 4795 1 293 . 1 1 56 56 ASN CB C 13 40.51 0.1 . 1 . . . . . . . . 4795 1 294 . 1 1 56 56 ASN HB2 H 1 2.92 0.01 . 1 . . . . . . . . 4795 1 295 . 1 1 56 56 ASN HB3 H 1 2.92 0.01 . 1 . . . . . . . . 4795 1 296 . 1 1 57 57 ARG N N 15 116.20 0.1 . 1 . . . . . . . . 4795 1 297 . 1 1 57 57 ARG H H 1 8.67 0.01 . 1 . . . . . . . . 4795 1 298 . 1 1 57 57 ARG CA C 13 58.50 0.1 . 1 . . . . . . . . 4795 1 299 . 1 1 57 57 ARG CB C 13 29.28 0.1 . 1 . . . . . . . . 4795 1 300 . 1 1 58 58 TYR N N 15 121.75 0.1 . 1 . . . . . . . . 4795 1 301 . 1 1 58 58 TYR H H 1 8.02 0.01 . 1 . . . . . . . . 4795 1 302 . 1 1 58 58 TYR CA C 13 60.00 0.1 . 1 . . . . . . . . 4795 1 303 . 1 1 58 58 TYR HA H 1 4.17 0.01 . 1 . . . . . . . . 4795 1 304 . 1 1 58 58 TYR CB C 13 36.31 0.1 . 1 . . . . . . . . 4795 1 305 . 1 1 58 58 TYR HB2 H 1 3.07 0.01 . 2 . . . . . . . . 4795 1 306 . 1 1 58 58 TYR HB3 H 1 2.85 0.01 . 2 . . . . . . . . 4795 1 307 . 1 1 59 59 GLU N N 15 124.22 0.1 . 1 . . . . . . . . 4795 1 308 . 1 1 59 59 GLU H H 1 8.55 0.01 . 1 . . . . . . . . 4795 1 309 . 1 1 59 59 GLU CA C 13 59.08 0.1 . 1 . . . . . . . . 4795 1 310 . 1 1 59 59 GLU HA H 1 3.68 0.01 . 1 . . . . . . . . 4795 1 311 . 1 1 59 59 GLU CB C 13 29.31 0.1 . 1 . . . . . . . . 4795 1 312 . 1 1 60 60 ARG N N 15 118.36 0.1 . 1 . . . . . . . . 4795 1 313 . 1 1 60 60 ARG H H 1 7.95 0.01 . 1 . . . . . . . . 4795 1 314 . 1 1 60 60 ARG CA C 13 59.30 0.1 . 1 . . . . . . . . 4795 1 315 . 1 1 60 60 ARG HA H 1 4.10 0.01 . 1 . . . . . . . . 4795 1 316 . 1 1 60 60 ARG CB C 13 29.34 0.1 . 1 . . . . . . . . 4795 1 317 . 1 1 61 61 LEU N N 15 120.05 0.1 . 1 . . . . . . . . 4795 1 318 . 1 1 61 61 LEU H H 1 7.75 0.01 . 1 . . . . . . . . 4795 1 319 . 1 1 61 61 LEU CA C 13 57.36 0.1 . 1 . . . . . . . . 4795 1 320 . 1 1 61 61 LEU HA H 1 4.13 0.01 . 1 . . . . . . . . 4795 1 321 . 1 1 61 61 LEU CB C 13 41.55 0.1 . 1 . . . . . . . . 4795 1 322 . 1 1 61 61 LEU HB2 H 1 1.69 0.01 . 1 . . . . . . . . 4795 1 323 . 1 1 61 61 LEU HB3 H 1 1.69 0.01 . 1 . . . . . . . . 4795 1 324 . 1 1 62 62 LYS N N 15 119.90 0.1 . 1 . . . . . . . . 4795 1 325 . 1 1 62 62 LYS H H 1 7.98 0.01 . 1 . . . . . . . . 4795 1 326 . 1 1 62 62 LYS CA C 13 56.56 0.1 . 1 . . . . . . . . 4795 1 327 . 1 1 62 62 LYS HA H 1 4.20 0.01 . 1 . . . . . . . . 4795 1 328 . 1 1 62 62 LYS CB C 13 30.46 0.1 . 1 . . . . . . . . 4795 1 329 . 1 1 62 62 LYS HB2 H 1 1.80 0.01 . 1 . . . . . . . . 4795 1 330 . 1 1 62 62 LYS HB3 H 1 1.80 0.01 . 1 . . . . . . . . 4795 1 331 . 1 1 62 62 LYS HG2 H 1 0.75 0.01 . 1 . . . . . . . . 4795 1 332 . 1 1 62 62 LYS HG3 H 1 0.75 0.01 . 1 . . . . . . . . 4795 1 333 . 1 1 63 63 ALA N N 15 121.13 0.1 . 1 . . . . . . . . 4795 1 334 . 1 1 63 63 ALA H H 1 8.78 0.01 . 1 . . . . . . . . 4795 1 335 . 1 1 63 63 ALA CA C 13 55.14 0.1 . 1 . . . . . . . . 4795 1 336 . 1 1 63 63 ALA HA H 1 3.70 0.01 . 1 . . . . . . . . 4795 1 337 . 1 1 63 63 ALA CB C 13 16.47 0.1 . 1 . . . . . . . . 4795 1 338 . 1 1 63 63 ALA HB1 H 1 1.28 0.01 . 1 . . . . . . . . 4795 1 339 . 1 1 63 63 ALA HB2 H 1 1.28 0.01 . 1 . . . . . . . . 4795 1 340 . 1 1 63 63 ALA HB3 H 1 1.28 0.01 . 1 . . . . . . . . 4795 1 341 . 1 1 64 64 THR N N 15 114.66 0.1 . 1 . . . . . . . . 4795 1 342 . 1 1 64 64 THR H H 1 7.51 0.01 . 1 . . . . . . . . 4795 1 343 . 1 1 64 64 THR CA C 13 65.19 0.1 . 1 . . . . . . . . 4795 1 344 . 1 1 64 64 THR HA H 1 4.35 0.01 . 1 . . . . . . . . 4795 1 345 . 1 1 64 64 THR CB C 13 68.55 0.1 . 1 . . . . . . . . 4795 1 346 . 1 1 65 65 GLN N N 15 120.67 0.1 . 1 . . . . . . . . 4795 1 347 . 1 1 65 65 GLN H H 1 7.59 0.01 . 1 . . . . . . . . 4795 1 348 . 1 1 65 65 GLN CA C 13 58.35 0.1 . 1 . . . . . . . . 4795 1 349 . 1 1 65 65 GLN HA H 1 3.95 0.01 . 1 . . . . . . . . 4795 1 350 . 1 1 65 65 GLN CB C 13 27.79 0.1 . 1 . . . . . . . . 4795 1 351 . 1 1 65 65 GLN HB2 H 1 2.24 0.01 . 1 . . . . . . . . 4795 1 352 . 1 1 65 65 GLN HB3 H 1 2.24 0.01 . 1 . . . . . . . . 4795 1 353 . 1 1 66 66 VAL N N 15 122.06 0.1 . 1 . . . . . . . . 4795 1 354 . 1 1 66 66 VAL H H 1 8.79 0.01 . 1 . . . . . . . . 4795 1 355 . 1 1 66 66 VAL CA C 13 65.22 0.1 . 1 . . . . . . . . 4795 1 356 . 1 1 66 66 VAL HA H 1 3.58 0.01 . 1 . . . . . . . . 4795 1 357 . 1 1 66 66 VAL CB C 13 30.72 0.1 . 1 . . . . . . . . 4795 1 358 . 1 1 66 66 VAL HB H 1 1.94 0.01 . 1 . . . . . . . . 4795 1 359 . 1 1 67 67 SER N N 15 118.05 0.1 . 1 . . . . . . . . 4795 1 360 . 1 1 67 67 SER H H 1 8.56 0.01 . 1 . . . . . . . . 4795 1 361 . 1 1 67 67 SER CA C 13 62.53 0.1 . 1 . . . . . . . . 4795 1 362 . 1 1 67 67 SER HA H 1 3.79 0.01 . 1 . . . . . . . . 4795 1 363 . 1 1 67 67 SER CB C 13 65.19 0.1 . 1 . . . . . . . . 4795 1 364 . 1 1 68 68 LYS N N 15 120.52 0.1 . 1 . . . . . . . . 4795 1 365 . 1 1 68 68 LYS H H 1 7.87 0.01 . 1 . . . . . . . . 4795 1 366 . 1 1 68 68 LYS CA C 13 59.39 0.1 . 1 . . . . . . . . 4795 1 367 . 1 1 68 68 LYS HA H 1 4.37 0.01 . 1 . . . . . . . . 4795 1 368 . 1 1 68 68 LYS CB C 13 31.78 0.1 . 1 . . . . . . . . 4795 1 369 . 1 1 68 68 LYS HB2 H 1 1.82 0.01 . 1 . . . . . . . . 4795 1 370 . 1 1 68 68 LYS HB3 H 1 1.82 0.01 . 1 . . . . . . . . 4795 1 371 . 1 1 69 69 GLY N N 15 106.95 0.1 . 1 . . . . . . . . 4795 1 372 . 1 1 69 69 GLY H H 1 7.95 0.01 . 1 . . . . . . . . 4795 1 373 . 1 1 69 69 GLY CA C 13 46.43 0.1 . 1 . . . . . . . . 4795 1 374 . 1 1 69 69 GLY HA2 H 1 3.82 0.01 . 2 . . . . . . . . 4795 1 375 . 1 1 69 69 GLY HA3 H 1 4.34 0.01 . 2 . . . . . . . . 4795 1 376 . 1 1 70 70 ILE N N 15 122.37 0.1 . 1 . . . . . . . . 4795 1 377 . 1 1 70 70 ILE H H 1 7.89 0.01 . 1 . . . . . . . . 4795 1 378 . 1 1 70 70 ILE CA C 13 65.10 0.1 . 1 . . . . . . . . 4795 1 379 . 1 1 70 70 ILE HA H 1 3.56 0.01 . 1 . . . . . . . . 4795 1 380 . 1 1 70 70 ILE CB C 13 37.99 0.1 . 1 . . . . . . . . 4795 1 381 . 1 1 70 70 ILE HB H 1 0.85 0.01 . 1 . . . . . . . . 4795 1 382 . 1 1 71 71 ARG N N 15 118.36 0.1 . 1 . . . . . . . . 4795 1 383 . 1 1 71 71 ARG H H 1 7.62 0.01 . 1 . . . . . . . . 4795 1 384 . 1 1 71 71 ARG CA C 13 59.52 0.1 . 1 . . . . . . . . 4795 1 385 . 1 1 71 71 ARG CB C 13 29.40 0.1 . 1 . . . . . . . . 4795 1 386 . 1 1 72 72 ASP N N 15 116.35 0.1 . 1 . . . . . . . . 4795 1 387 . 1 1 72 72 ASP H H 1 8.94 0.01 . 1 . . . . . . . . 4795 1 388 . 1 1 72 72 ASP CA C 13 56.56 0.1 . 1 . . . . . . . . 4795 1 389 . 1 1 72 72 ASP HA H 1 4.32 0.01 . 1 . . . . . . . . 4795 1 390 . 1 1 72 72 ASP CB C 13 39.67 0.1 . 1 . . . . . . . . 4795 1 391 . 1 1 73 73 ASN N N 15 116.05 0.1 . 1 . . . . . . . . 4795 1 392 . 1 1 73 73 ASN H H 1 8.51 0.01 . 1 . . . . . . . . 4795 1 393 . 1 1 73 73 ASN CA C 13 53.74 0.1 . 1 . . . . . . . . 4795 1 394 . 1 1 73 73 ASN HA H 1 4.88 0.01 . 1 . . . . . . . . 4795 1 395 . 1 1 73 73 ASN CB C 13 38.16 0.1 . 1 . . . . . . . . 4795 1 396 . 1 1 73 73 ASN HB2 H 1 3.06 0.01 . 2 . . . . . . . . 4795 1 397 . 1 1 73 73 ASN HB3 H 1 2.91 0.01 . 2 . . . . . . . . 4795 1 398 . 1 1 74 74 GLU N N 15 116.97 0.1 . 1 . . . . . . . . 4795 1 399 . 1 1 74 74 GLU H H 1 7.75 0.01 . 1 . . . . . . . . 4795 1 400 . 1 1 74 74 GLU CA C 13 57.17 0.1 . 1 . . . . . . . . 4795 1 401 . 1 1 74 74 GLU HA H 1 4.58 0.01 . 1 . . . . . . . . 4795 1 402 . 1 1 74 74 GLU CB C 13 29.81 0.1 . 1 . . . . . . . . 4795 1 403 . 1 1 74 74 GLU HB2 H 1 2.27 0.01 . 1 . . . . . . . . 4795 1 404 . 1 1 74 74 GLU HB3 H 1 2.27 0.01 . 1 . . . . . . . . 4795 1 405 . 1 1 75 75 ARG N N 15 114.66 0.1 . 1 . . . . . . . . 4795 1 406 . 1 1 75 75 ARG H H 1 7.12 0.01 . 1 . . . . . . . . 4795 1 407 . 1 1 75 75 ARG CA C 13 52.13 0.1 . 1 . . . . . . . . 4795 1 408 . 1 1 75 75 ARG HA H 1 4.88 0.01 . 1 . . . . . . . . 4795 1 409 . 1 1 75 75 ARG CB C 13 28.34 0.1 . 1 . . . . . . . . 4795 1 410 . 1 1 75 75 ARG HB2 H 1 2.04 0.01 . 1 . . . . . . . . 4795 1 411 . 1 1 75 75 ARG HB3 H 1 2.04 0.01 . 1 . . . . . . . . 4795 1 412 . 1 1 76 76 SER N N 15 114.20 0.1 . 1 . . . . . . . . 4795 1 413 . 1 1 76 76 SER H H 1 8.05 0.01 . 1 . . . . . . . . 4795 1 414 . 1 1 76 76 SER CA C 13 58.57 0.1 . 1 . . . . . . . . 4795 1 415 . 1 1 76 76 SER HA H 1 4.25 0.01 . 1 . . . . . . . . 4795 1 416 . 1 1 76 76 SER CB C 13 60.99 0.1 . 1 . . . . . . . . 4795 1 417 . 1 1 77 77 GLY N N 15 105.72 0.1 . 1 . . . . . . . . 4795 1 418 . 1 1 77 77 GLY H H 1 8.87 0.01 . 1 . . . . . . . . 4795 1 419 . 1 1 77 77 GLY CA C 13 44.77 0.1 . 1 . . . . . . . . 4795 1 420 . 1 1 77 77 GLY HA2 H 1 3.68 0.01 . 2 . . . . . . . . 4795 1 421 . 1 1 77 77 GLY HA3 H 1 4.32 0.01 . 2 . . . . . . . . 4795 1 422 . 1 1 78 78 ARG N N 15 120.98 0.1 . 1 . . . . . . . . 4795 1 423 . 1 1 78 78 ARG H H 1 7.91 0.01 . 1 . . . . . . . . 4795 1 424 . 1 1 78 78 ARG CA C 13 55.26 0.1 . 1 . . . . . . . . 4795 1 425 . 1 1 78 78 ARG HA H 1 4.37 0.01 . 1 . . . . . . . . 4795 1 426 . 1 1 78 78 ARG CB C 13 28.93 0.1 . 1 . . . . . . . . 4795 1 427 . 1 1 78 78 ARG HB2 H 1 1.84 0.01 . 1 . . . . . . . . 4795 1 428 . 1 1 78 78 ARG HB3 H 1 1.84 0.01 . 1 . . . . . . . . 4795 1 429 . 1 1 79 79 ALA N N 15 119.13 0.1 . 1 . . . . . . . . 4795 1 430 . 1 1 79 79 ALA H H 1 6.89 0.01 . 1 . . . . . . . . 4795 1 431 . 1 1 79 79 ALA CA C 13 50.85 0.1 . 1 . . . . . . . . 4795 1 432 . 1 1 79 79 ALA HA H 1 4.56 0.01 . 1 . . . . . . . . 4795 1 433 . 1 1 79 79 ALA CB C 13 20.77 0.1 . 1 . . . . . . . . 4795 1 434 . 1 1 79 79 ALA HB1 H 1 1.16 0.01 . 1 . . . . . . . . 4795 1 435 . 1 1 79 79 ALA HB2 H 1 1.16 0.01 . 1 . . . . . . . . 4795 1 436 . 1 1 79 79 ALA HB3 H 1 1.16 0.01 . 1 . . . . . . . . 4795 1 437 . 1 1 80 80 ARG N N 15 119.59 0.1 . 1 . . . . . . . . 4795 1 438 . 1 1 80 80 ARG H H 1 7.67 0.01 . 1 . . . . . . . . 4795 1 439 . 1 1 80 80 ARG CA C 13 54.20 0.1 . 1 . . . . . . . . 4795 1 440 . 1 1 80 80 ARG HA H 1 4.43 0.01 . 1 . . . . . . . . 4795 1 441 . 1 1 80 80 ARG CB C 13 31.85 0.1 . 1 . . . . . . . . 4795 1 442 . 1 1 80 80 ARG HB2 H 1 1.64 0.01 . 1 . . . . . . . . 4795 1 443 . 1 1 80 80 ARG HB3 H 1 1.64 0.01 . 1 . . . . . . . . 4795 1 444 . 1 1 81 81 VAL N N 15 124.22 0.1 . 1 . . . . . . . . 4795 1 445 . 1 1 81 81 VAL H H 1 8.39 0.01 . 1 . . . . . . . . 4795 1 446 . 1 1 81 81 VAL CA C 13 60.53 0.1 . 1 . . . . . . . . 4795 1 447 . 1 1 81 81 VAL HA H 1 4.65 0.01 . 1 . . . . . . . . 4795 1 448 . 1 1 81 81 VAL CB C 13 31.87 0.1 . 1 . . . . . . . . 4795 1 449 . 1 1 81 81 VAL HB H 1 1.82 0.01 . 1 . . . . . . . . 4795 1 450 . 1 1 81 81 VAL HG11 H 1 0.78 0.01 . 1 . . . . . . . . 4795 1 451 . 1 1 81 81 VAL HG12 H 1 0.78 0.01 . 1 . . . . . . . . 4795 1 452 . 1 1 81 81 VAL HG13 H 1 0.78 0.01 . 1 . . . . . . . . 4795 1 453 . 1 1 81 81 VAL HG21 H 1 0.78 0.01 . 1 . . . . . . . . 4795 1 454 . 1 1 81 81 VAL HG22 H 1 0.78 0.01 . 1 . . . . . . . . 4795 1 455 . 1 1 81 81 VAL HG23 H 1 0.78 0.01 . 1 . . . . . . . . 4795 1 456 . 1 1 82 82 HIS N N 15 129.46 0.1 . 1 . . . . . . . . 4795 1 457 . 1 1 82 82 HIS H H 1 9.19 0.01 . 1 . . . . . . . . 4795 1 458 . 1 1 82 82 HIS CA C 13 53.65 0.1 . 1 . . . . . . . . 4795 1 459 . 1 1 82 82 HIS HA H 1 4.80 0.01 . 1 . . . . . . . . 4795 1 460 . 1 1 82 82 HIS CB C 13 32.06 0.1 . 1 . . . . . . . . 4795 1 461 . 1 1 82 82 HIS HB2 H 1 2.85 0.01 . 1 . . . . . . . . 4795 1 462 . 1 1 82 82 HIS HB3 H 1 2.85 0.01 . 1 . . . . . . . . 4795 1 463 . 1 1 83 83 VAL N N 15 128.69 0.1 . 1 . . . . . . . . 4795 1 464 . 1 1 83 83 VAL H H 1 9.16 0.01 . 1 . . . . . . . . 4795 1 465 . 1 1 83 83 VAL CA C 13 61.80 0.1 . 1 . . . . . . . . 4795 1 466 . 1 1 83 83 VAL HA H 1 4.95 0.01 . 1 . . . . . . . . 4795 1 467 . 1 1 83 83 VAL HB H 1 2.06 0.01 . 1 . . . . . . . . 4795 1 468 . 1 1 83 83 VAL HG11 H 1 0.93 0.01 . 1 . . . . . . . . 4795 1 469 . 1 1 83 83 VAL HG12 H 1 0.93 0.01 . 1 . . . . . . . . 4795 1 470 . 1 1 83 83 VAL HG13 H 1 0.93 0.01 . 1 . . . . . . . . 4795 1 471 . 1 1 83 83 VAL HG21 H 1 0.93 0.01 . 1 . . . . . . . . 4795 1 472 . 1 1 83 83 VAL HG22 H 1 0.93 0.01 . 1 . . . . . . . . 4795 1 473 . 1 1 83 83 VAL HG23 H 1 0.93 0.01 . 1 . . . . . . . . 4795 1 474 . 1 1 84 84 SER N N 15 123.04 0.1 . 1 . . . . . . . . 4795 1 475 . 1 1 84 84 SER H H 1 9.50 0.01 . 1 . . . . . . . . 4795 1 476 . 1 1 84 84 SER CA C 13 57.19 0.1 . 1 . . . . . . . . 4795 1 477 . 1 1 84 84 SER CB C 13 65.81 0.1 . 1 . . . . . . . . 4795 1 478 . 1 1 88 88 THR CA C 13 59.26 0.1 . 1 . . . . . . . . 4795 1 479 . 1 1 88 88 THR CB C 13 68.49 0.1 . 1 . . . . . . . . 4795 1 480 . 1 1 89 89 GLU N N 15 123.13 0.1 . 1 . . . . . . . . 4795 1 481 . 1 1 89 89 GLU H H 1 9.02 0.01 . 1 . . . . . . . . 4795 1 482 . 1 1 89 89 GLU CA C 13 56.55 0.1 . 1 . . . . . . . . 4795 1 483 . 1 1 89 89 GLU CB C 13 27.39 0.1 . 1 . . . . . . . . 4795 1 484 . 1 1 90 90 PRO CA C 13 61.38 0.1 . 1 . . . . . . . . 4795 1 485 . 1 1 90 90 PRO CB C 13 31.90 0.1 . 1 . . . . . . . . 4795 1 486 . 1 1 91 91 GLU N N 15 123.60 0.1 . 1 . . . . . . . . 4795 1 487 . 1 1 91 91 GLU H H 1 8.84 0.01 . 1 . . . . . . . . 4795 1 488 . 1 1 91 91 GLU CA C 13 59.20 0.1 . 1 . . . . . . . . 4795 1 489 . 1 1 91 91 GLU CB C 13 28.79 0.1 . 1 . . . . . . . . 4795 1 490 . 1 1 92 92 ALA N N 15 118.20 0.1 . 1 . . . . . . . . 4795 1 491 . 1 1 92 92 ALA H H 1 8.58 0.01 . 1 . . . . . . . . 4795 1 492 . 1 1 92 92 ALA CA C 13 54.25 0.1 . 1 . . . . . . . . 4795 1 493 . 1 1 92 92 ALA CB C 13 18.75 0.1 . 1 . . . . . . . . 4795 1 494 . 1 1 93 93 MET N N 15 112.96 0.1 . 1 . . . . . . . . 4795 1 495 . 1 1 93 93 MET H H 1 6.86 0.01 . 1 . . . . . . . . 4795 1 496 . 1 1 93 93 MET CA C 13 58.52 0.1 . 1 . . . . . . . . 4795 1 497 . 1 1 93 93 MET HA H 1 3.40 0.01 . 1 . . . . . . . . 4795 1 498 . 1 1 93 93 MET CB C 13 32.37 0.1 . 1 . . . . . . . . 4795 1 499 . 1 1 93 93 MET HB2 H 1 1.51 0.01 . 1 . . . . . . . . 4795 1 500 . 1 1 93 93 MET HB3 H 1 1.51 0.01 . 1 . . . . . . . . 4795 1 501 . 1 1 94 94 LEU N N 15 118.82 0.1 . 1 . . . . . . . . 4795 1 502 . 1 1 94 94 LEU H H 1 7.13 0.01 . 1 . . . . . . . . 4795 1 503 . 1 1 94 94 LEU CA C 13 56.51 0.1 . 1 . . . . . . . . 4795 1 504 . 1 1 94 94 LEU HA H 1 4.01 0.01 . 1 . . . . . . . . 4795 1 505 . 1 1 94 94 LEU CB C 13 39.90 0.1 . 1 . . . . . . . . 4795 1 506 . 1 1 94 94 LEU HB2 H 1 1.77 0.01 . 1 . . . . . . . . 4795 1 507 . 1 1 94 94 LEU HB3 H 1 1.77 0.01 . 1 . . . . . . . . 4795 1 508 . 1 1 95 95 GLN N N 15 118.97 0.1 . 1 . . . . . . . . 4795 1 509 . 1 1 95 95 GLN H H 1 8.31 0.01 . 1 . . . . . . . . 4795 1 510 . 1 1 95 95 GLN CA C 13 57.82 0.1 . 1 . . . . . . . . 4795 1 511 . 1 1 95 95 GLN HA H 1 3.92 0.01 . 1 . . . . . . . . 4795 1 512 . 1 1 95 95 GLN CB C 13 27.81 0.1 . 1 . . . . . . . . 4795 1 513 . 1 1 95 95 GLN HB2 H 1 1.97 0.01 . 1 . . . . . . . . 4795 1 514 . 1 1 95 95 GLN HB3 H 1 1.97 0.01 . 1 . . . . . . . . 4795 1 515 . 1 1 96 96 VAL N N 15 116.20 0.1 . 1 . . . . . . . . 4795 1 516 . 1 1 96 96 VAL H H 1 6.73 0.01 . 1 . . . . . . . . 4795 1 517 . 1 1 96 96 VAL CA C 13 63.94 0.1 . 1 . . . . . . . . 4795 1 518 . 1 1 96 96 VAL HA H 1 3.76 0.01 . 1 . . . . . . . . 4795 1 519 . 1 1 96 96 VAL CB C 13 32.21 0.1 . 1 . . . . . . . . 4795 1 520 . 1 1 96 96 VAL HB H 1 1.75 0.01 . 1 . . . . . . . . 4795 1 521 . 1 1 96 96 VAL HG11 H 1 0.72 0.01 . 1 . . . . . . . . 4795 1 522 . 1 1 96 96 VAL HG12 H 1 0.72 0.01 . 1 . . . . . . . . 4795 1 523 . 1 1 96 96 VAL HG13 H 1 0.72 0.01 . 1 . . . . . . . . 4795 1 524 . 1 1 96 96 VAL HG21 H 1 0.72 0.01 . 1 . . . . . . . . 4795 1 525 . 1 1 96 96 VAL HG22 H 1 0.72 0.01 . 1 . . . . . . . . 4795 1 526 . 1 1 96 96 VAL HG23 H 1 0.72 0.01 . 1 . . . . . . . . 4795 1 527 . 1 1 97 97 LEU N N 15 116.97 0.1 . 1 . . . . . . . . 4795 1 528 . 1 1 97 97 LEU H H 1 7.58 0.01 . 1 . . . . . . . . 4795 1 529 . 1 1 97 97 LEU CA C 13 54.86 0.1 . 1 . . . . . . . . 4795 1 530 . 1 1 97 97 LEU HA H 1 3.88 0.01 . 1 . . . . . . . . 4795 1 531 . 1 1 97 97 LEU CB C 13 40.58 0.1 . 1 . . . . . . . . 4795 1 532 . 1 1 97 97 LEU HB2 H 1 0.91 0.01 . 1 . . . . . . . . 4795 1 533 . 1 1 97 97 LEU HB3 H 1 0.91 0.01 . 1 . . . . . . . . 4795 1 534 . 1 1 98 98 GLY N N 15 108.49 0.1 . 1 . . . . . . . . 4795 1 535 . 1 1 98 98 GLY H H 1 7.75 0.01 . 1 . . . . . . . . 4795 1 536 . 1 1 98 98 GLY CA C 13 43.61 0.1 . 1 . . . . . . . . 4795 1 537 . 1 1 98 98 GLY HA2 H 1 3.88 0.01 . 2 . . . . . . . . 4795 1 538 . 1 1 98 98 GLY HA3 H 1 4.41 0.01 . 2 . . . . . . . . 4795 1 539 . 1 1 101 101 PRO CA C 13 61.47 0.1 . 1 . . . . . . . . 4795 1 540 . 1 1 101 101 PRO CB C 13 31.47 0.1 . 1 . . . . . . . . 4795 1 541 . 1 1 102 102 ALA N N 15 121.29 0.1 . 1 . . . . . . . . 4795 1 542 . 1 1 102 102 ALA H H 1 7.99 0.01 . 1 . . . . . . . . 4795 1 543 . 1 1 102 102 ALA CA C 13 51.77 0.1 . 1 . . . . . . . . 4795 1 544 . 1 1 102 102 ALA HA H 1 4.14 0.01 . 1 . . . . . . . . 4795 1 545 . 1 1 102 102 ALA CB C 13 17.47 0.1 . 1 . . . . . . . . 4795 1 546 . 1 1 102 102 ALA HB1 H 1 1.24 0.01 . 1 . . . . . . . . 4795 1 547 . 1 1 102 102 ALA HB2 H 1 1.24 0.01 . 1 . . . . . . . . 4795 1 548 . 1 1 102 102 ALA HB3 H 1 1.24 0.01 . 1 . . . . . . . . 4795 1 549 . 1 1 103 103 LEU N N 15 124.35 0.1 . 1 . . . . . . . . 4795 1 550 . 1 1 103 103 LEU H H 1 8.25 0.01 . 1 . . . . . . . . 4795 1 551 . 1 1 103 103 LEU CA C 13 51.67 0.1 . 1 . . . . . . . . 4795 1 552 . 1 1 103 103 LEU HA H 1 4.61 0.01 . 1 . . . . . . . . 4795 1 553 . 1 1 103 103 LEU CB C 13 41.79 0.1 . 1 . . . . . . . . 4795 1 554 . 1 1 103 103 LEU HB2 H 1 1.82 0.01 . 1 . . . . . . . . 4795 1 555 . 1 1 103 103 LEU HB3 H 1 1.82 0.01 . 1 . . . . . . . . 4795 1 556 . 1 1 104 104 PRO CA C 13 62.06 0.1 . 1 . . . . . . . . 4795 1 557 . 1 1 104 104 PRO CB C 13 31.87 0.1 . 1 . . . . . . . . 4795 1 558 . 1 1 105 105 ALA N N 15 123.29 0.1 . 1 . . . . . . . . 4795 1 559 . 1 1 105 105 ALA H H 1 8.52 0.01 . 1 . . . . . . . . 4795 1 560 . 1 1 105 105 ALA CA C 13 52.59 0.1 . 1 . . . . . . . . 4795 1 561 . 1 1 105 105 ALA HA H 1 4.32 0.01 . 1 . . . . . . . . 4795 1 562 . 1 1 105 105 ALA CB C 13 18.90 0.1 . 1 . . . . . . . . 4795 1 563 . 1 1 105 105 ALA HB1 H 1 1.46 0.01 . 1 . . . . . . . . 4795 1 564 . 1 1 105 105 ALA HB2 H 1 1.46 0.01 . 1 . . . . . . . . 4795 1 565 . 1 1 105 105 ALA HB3 H 1 1.46 0.01 . 1 . . . . . . . . 4795 1 566 . 1 1 106 106 GLY N N 15 105.56 0.1 . 1 . . . . . . . . 4795 1 567 . 1 1 106 106 GLY H H 1 8.36 0.01 . 1 . . . . . . . . 4795 1 568 . 1 1 106 106 GLY CA C 13 44.59 0.1 . 1 . . . . . . . . 4795 1 569 . 1 1 106 106 GLY HA2 H 1 3.95 0.01 . 1 . . . . . . . . 4795 1 570 . 1 1 106 106 GLY HA3 H 1 3.95 0.01 . 1 . . . . . . . . 4795 1 571 . 1 1 107 107 THR N N 15 112.35 0.1 . 1 . . . . . . . . 4795 1 572 . 1 1 107 107 THR H H 1 7.96 0.01 . 1 . . . . . . . . 4795 1 573 . 1 1 107 107 THR CA C 13 60.82 0.1 . 1 . . . . . . . . 4795 1 574 . 1 1 107 107 THR HA H 1 4.35 0.01 . 1 . . . . . . . . 4795 1 575 . 1 1 107 107 THR CB C 13 69.32 0.1 . 1 . . . . . . . . 4795 1 576 . 1 1 108 108 GLU N N 15 123.44 0.1 . 1 . . . . . . . . 4795 1 577 . 1 1 108 108 GLU H H 1 8.64 0.01 . 1 . . . . . . . . 4795 1 578 . 1 1 108 108 GLU CA C 13 56.09 0.1 . 1 . . . . . . . . 4795 1 579 . 1 1 108 108 GLU HA H 1 4.34 0.01 . 1 . . . . . . . . 4795 1 580 . 1 1 108 108 GLU CB C 13 29.74 0.1 . 1 . . . . . . . . 4795 1 581 . 1 1 108 108 GLU HB2 H 1 1.98 0.01 . 1 . . . . . . . . 4795 1 582 . 1 1 108 108 GLU HB3 H 1 1.98 0.01 . 1 . . . . . . . . 4795 1 583 . 1 1 109 109 ASP N N 15 122.37 0.1 . 1 . . . . . . . . 4795 1 584 . 1 1 109 109 ASP H H 1 8.52 0.01 . 1 . . . . . . . . 4795 1 585 . 1 1 109 109 ASP CA C 13 54.01 0.1 . 1 . . . . . . . . 4795 1 586 . 1 1 109 109 ASP CB C 13 40.62 0.1 . 1 . . . . . . . . 4795 1 587 . 1 1 109 109 ASP HB2 H 1 2.68 0.01 . 1 . . . . . . . . 4795 1 588 . 1 1 109 109 ASP HB3 H 1 2.68 0.01 . 1 . . . . . . . . 4795 1 589 . 1 1 110 110 THR N N 15 114.35 0.1 . 1 . . . . . . . . 4795 1 590 . 1 1 110 110 THR H H 1 8.08 0.01 . 1 . . . . . . . . 4795 1 591 . 1 1 110 110 THR CA C 13 61.45 0.1 . 1 . . . . . . . . 4795 1 592 . 1 1 110 110 THR HA H 1 4.25 0.01 . 1 . . . . . . . . 4795 1 593 . 1 1 110 110 THR CB C 13 69.03 0.1 . 1 . . . . . . . . 4795 1 594 . 1 1 111 111 ALA N N 15 126.22 0.1 . 1 . . . . . . . . 4795 1 595 . 1 1 111 111 ALA H H 1 8.26 0.01 . 1 . . . . . . . . 4795 1 596 . 1 1 111 111 ALA CA C 13 52.08 0.1 . 1 . . . . . . . . 4795 1 597 . 1 1 111 111 ALA CB C 13 18.60 0.1 . 1 . . . . . . . . 4795 1 598 . 1 1 111 111 ALA HB1 H 1 1.39 0.01 . 1 . . . . . . . . 4795 1 599 . 1 1 111 111 ALA HB2 H 1 1.39 0.01 . 1 . . . . . . . . 4795 1 600 . 1 1 111 111 ALA HB3 H 1 1.39 0.01 . 1 . . . . . . . . 4795 1 601 . 1 1 112 112 LYS N N 15 120.67 0.1 . 1 . . . . . . . . 4795 1 602 . 1 1 112 112 LYS H H 1 8.17 0.01 . 1 . . . . . . . . 4795 1 603 . 1 1 112 112 LYS CA C 13 55.84 0.1 . 1 . . . . . . . . 4795 1 604 . 1 1 112 112 LYS HA H 1 4.22 0.01 . 1 . . . . . . . . 4795 1 605 . 1 1 112 112 LYS CB C 13 32.43 0.1 . 1 . . . . . . . . 4795 1 606 . 1 1 112 112 LYS HB2 H 1 1.76 0.01 . 1 . . . . . . . . 4795 1 607 . 1 1 112 112 LYS HB3 H 1 1.76 0.01 . 1 . . . . . . . . 4795 1 608 . 1 1 113 113 GLU N N 15 121.75 0.1 . 1 . . . . . . . . 4795 1 609 . 1 1 113 113 GLU H H 1 8.43 0.01 . 1 . . . . . . . . 4795 1 610 . 1 1 113 113 GLU CA C 13 56.07 0.1 . 1 . . . . . . . . 4795 1 611 . 1 1 113 113 GLU HA H 1 4.25 0.01 . 1 . . . . . . . . 4795 1 612 . 1 1 113 113 GLU CB C 13 29.72 0.1 . 1 . . . . . . . . 4795 1 613 . 1 1 113 113 GLU HB2 H 1 1.94 0.01 . 1 . . . . . . . . 4795 1 614 . 1 1 113 113 GLU HB3 H 1 1.94 0.01 . 1 . . . . . . . . 4795 1 615 . 1 1 114 114 ASP N N 15 121.29 0.1 . 1 . . . . . . . . 4795 1 616 . 1 1 114 114 ASP H H 1 8.31 0.01 . 1 . . . . . . . . 4795 1 617 . 1 1 114 114 ASP CA C 13 53.75 0.1 . 1 . . . . . . . . 4795 1 618 . 1 1 114 114 ASP HA H 1 4.65 0.01 . 1 . . . . . . . . 4795 1 619 . 1 1 114 114 ASP CB C 13 40.61 0.1 . 1 . . . . . . . . 4795 1 620 . 1 1 114 114 ASP HB2 H 1 2.62 0.01 . 1 . . . . . . . . 4795 1 621 . 1 1 114 114 ASP HB3 H 1 2.62 0.01 . 1 . . . . . . . . 4795 1 622 . 1 1 115 115 ALA N N 15 124.37 0.1 . 1 . . . . . . . . 4795 1 623 . 1 1 115 115 ALA H H 1 8.05 0.01 . 1 . . . . . . . . 4795 1 624 . 1 1 115 115 ALA CA C 13 51.72 0.1 . 1 . . . . . . . . 4795 1 625 . 1 1 115 115 ALA HA H 1 4.32 0.01 . 1 . . . . . . . . 4795 1 626 . 1 1 115 115 ALA CB C 13 18.84 0.1 . 1 . . . . . . . . 4795 1 627 . 1 1 115 115 ALA HB1 H 1 1.36 0.01 . 1 . . . . . . . . 4795 1 628 . 1 1 115 115 ALA HB2 H 1 1.36 0.01 . 1 . . . . . . . . 4795 1 629 . 1 1 115 115 ALA HB3 H 1 1.36 0.01 . 1 . . . . . . . . 4795 1 630 . 1 1 116 116 ALA N N 15 129.15 0.1 . 1 . . . . . . . . 4795 1 631 . 1 1 116 116 ALA H H 1 7.86 0.01 . 1 . . . . . . . . 4795 1 632 . 1 1 116 116 ALA CA C 13 53.22 0.1 . 1 . . . . . . . . 4795 1 633 . 1 1 116 116 ALA HA H 1 4.07 0.01 . 1 . . . . . . . . 4795 1 634 . 1 1 116 116 ALA CB C 13 19.39 0.1 . 1 . . . . . . . . 4795 1 635 . 1 1 116 116 ALA HB1 H 1 1.31 0.01 . 1 . . . . . . . . 4795 1 636 . 1 1 116 116 ALA HB2 H 1 1.31 0.01 . 1 . . . . . . . . 4795 1 637 . 1 1 116 116 ALA HB3 H 1 1.31 0.01 . 1 . . . . . . . . 4795 1 stop_ save_