data_4729 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4729 _Entry.Title ; 1H, 15N, 13CA, 13CB, 13C' assignments of the EGF-like module pair 3-4 from vitamin K-dependent protein S ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-04-28 _Entry.Accession_date 2000-05-01 _Entry.Last_release_date 2000-05-11 _Entry.Original_release_date 2000-05-11 _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 Andreas Muranyi . . . 4729 2 Johan Evenas . . . 4729 3 Yvonne Stenberg . . . 4729 4 Johan Stenflo . . . 4729 5 Torbjorn Drakenberg . . . 4729 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4729 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 947 4729 '13C chemical shifts' 404 4729 '15N chemical shifts' 170 4729 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 . . 2000-05-11 2000-04-28 original author . 4729 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4729 _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 ; 1H, 15N and 13C assignments and secondary structure of the EGF-like module pair 3-4 from vitamin K-dependent protein S ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _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.Entry_ID _Citation_author.Citation_ID 1 Andreas Muranyi . . . 4729 1 2 Johan Evenas . . . 4729 1 3 Yvonne Stenberg . . . 4729 1 4 Johan Stenflo . . . 4729 1 5 Torbjorn Drakenberg . . . 4729 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_pS_EGF_3-4 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_pS_EGF_3-4 _Assembly.Entry_ID 4729 _Assembly.ID 1 _Assembly.Name 'EGF-like module pair 3-4 from human vitamin K-dependent protein S' _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 'not reported' _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 dimer 4729 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 'monomer 1' 1 $pS_EGF_3-4 . . . native . . 1 . . 4729 1 2 'monomer 2' 1 $pS_EGF_3-4 . . . native . . 1 . . 4729 1 3 'Ca 1' 2 $CA . . . native . . . . . 4729 1 4 'Ca 2' 2 $CA . . . native . . . . . 4729 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 dilsulfide single . 1 . 1 CYS 8 8 SG . 1 . 1 CYS 20 20 SG . . . . . . . . . . 4729 1 2 dilsulfide single . 1 . 1 CYS 15 15 SG . 1 . 1 CYS 29 29 SG . . . . . . . . . . 4729 1 3 dilsulfide single . 1 . 1 CYS 31 31 SG . 1 . 1 CYS 44 44 SG . . . . . . . . . . 4729 1 4 dilsulfide single . 1 . 1 CYS 50 50 SG . 1 . 1 CYS 59 59 SG . . . . . . . . . . 4729 1 5 dilsulfide single . 1 . 1 CYS 55 55 SG . 1 . 1 CYS 68 68 SG . . . . . . . . . . 4729 1 6 dilsulfide single . 1 . 1 CYS 70 70 SG . 1 . 1 CYS 85 85 SG . . . . . . . . . . 4729 1 7 dilsulfide single . 2 . 1 CYS 8 8 SG . 2 . 1 CYS 20 20 SG . . . . . . . . . . 4729 1 8 dilsulfide single . 2 . 1 CYS 15 15 SG . 2 . 1 CYS 29 29 SG . . . . . . . . . . 4729 1 9 dilsulfide single . 2 . 1 CYS 31 31 SG . 2 . 1 CYS 44 44 SG . . . . . . . . . . 4729 1 10 dilsulfide single . 2 . 1 CYS 50 50 SG . 2 . 1 CYS 59 59 SG . . . . . . . . . . 4729 1 11 dilsulfide single . 2 . 1 CYS 55 55 SG . 2 . 1 CYS 68 68 SG . . . . . . . . . . 4729 1 12 dilsulfide single . 2 . 1 CYS 70 70 SG . 2 . 1 CYS 85 85 SG . . . . . . . . . . 4729 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'EGF-like module pair 3-4 from human vitamin K-dependent protein S' system 4729 1 'pS EGF 3-4' abbreviation 4729 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID anticoagulant 4729 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_pS_EGF_3-4 _Entity.Sf_category entity _Entity.Sf_framecode pS_EGF_3-4 _Entity.Entry_ID 4729 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'EGF-like module pair 3-4 from human vitamin K-dependent protein S' _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 ; HMKDVDECSLKPSICGTAVC KNIPGDFECECPEGYRYNLK SKSCEDIDECSENMCAQLCV NYPGGYTCYCDGKKGFKLAQ DQKSCEVVS ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _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 ; The sequence of the protein in this study comprises residues 159-245 of human protein S with the addition of an N-terminal dipeptide (His - Met) derived from the His-tag. In the wild-type protein residues 178 and 217 are beta-hydroxylated aspargine (Hyn). The protein used in this study was expressed in E. coli with Asn in position 178 and 217. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17338 . EGF34 . . . . . 100.00 109 100.00 100.00 4.50e-57 . . . . 4729 1 2 no BMRB 17462 . EGF . . . . . 100.00 109 100.00 100.00 4.50e-57 . . . . 4729 1 3 no BMRB 4728 . "EGF 3 module from human vitamin K-dependent protein S" . . . . . 50.56 45 100.00 100.00 4.49e-22 . . . . 4729 1 4 no PDB 1Z6C . "Solution Structure Of An Egf Pair (Egf34) From Vitamin K- Dependent Protein S" . . . . . 97.75 87 100.00 100.00 5.96e-54 . . . . 4729 1 5 no GB EAW68856 . "hCG1789240 [Homo sapiens]" . . . . . 95.51 168 98.82 98.82 1.35e-50 . . . . 4729 1 6 no REF XP_009444184 . "PREDICTED: LOW QUALITY PROTEIN: vitamin K-dependent protein S-like [Pan troglodytes]" . . . . . 97.75 671 97.70 97.70 3.45e-49 . . . . 4729 1 7 no REF XP_014199791 . "PREDICTED: vitamin K-dependent protein S [Pan paniscus]" . . . . . 97.75 676 100.00 100.00 7.03e-52 . . . . 4729 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'EGF-like module pair 3-4 from human vitamin K-dependent protein S' common 4729 1 'pS EGF 3-4' abbreviation 4729 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 1 157 HIS . 4729 1 2 158 MET . 4729 1 3 159 LYS . 4729 1 4 160 ASP . 4729 1 5 161 VAL . 4729 1 6 162 ASP . 4729 1 7 163 GLU . 4729 1 8 164 CYS . 4729 1 9 165 SER . 4729 1 10 166 LEU . 4729 1 11 167 LYS . 4729 1 12 168 PRO . 4729 1 13 169 SER . 4729 1 14 170 ILE . 4729 1 15 171 CYS . 4729 1 16 172 GLY . 4729 1 17 173 THR . 4729 1 18 174 ALA . 4729 1 19 175 VAL . 4729 1 20 176 CYS . 4729 1 21 177 LYS . 4729 1 22 178 ASN . 4729 1 23 179 ILE . 4729 1 24 180 PRO . 4729 1 25 181 GLY . 4729 1 26 182 ASP . 4729 1 27 183 PHE . 4729 1 28 184 GLU . 4729 1 29 185 CYS . 4729 1 30 186 GLU . 4729 1 31 187 CYS . 4729 1 32 188 PRO . 4729 1 33 189 GLU . 4729 1 34 190 GLY . 4729 1 35 191 TYR . 4729 1 36 192 ARG . 4729 1 37 193 TYR . 4729 1 38 194 ASN . 4729 1 39 195 LEU . 4729 1 40 196 LYS . 4729 1 41 197 SER . 4729 1 42 198 LYS . 4729 1 43 199 SER . 4729 1 44 200 CYS . 4729 1 45 201 GLU . 4729 1 46 202 ASP . 4729 1 47 203 ILE . 4729 1 48 204 ASP . 4729 1 49 205 GLU . 4729 1 50 206 CYS . 4729 1 51 207 SER . 4729 1 52 208 GLU . 4729 1 53 209 ASN . 4729 1 54 210 MET . 4729 1 55 211 CYS . 4729 1 56 212 ALA . 4729 1 57 213 GLN . 4729 1 58 214 LEU . 4729 1 59 215 CYS . 4729 1 60 216 VAL . 4729 1 61 217 ASN . 4729 1 62 218 TYR . 4729 1 63 219 PRO . 4729 1 64 220 GLY . 4729 1 65 221 GLY . 4729 1 66 222 TYR . 4729 1 67 223 THR . 4729 1 68 224 CYS . 4729 1 69 225 TYR . 4729 1 70 226 CYS . 4729 1 71 227 ASP . 4729 1 72 228 GLY . 4729 1 73 229 LYS . 4729 1 74 230 LYS . 4729 1 75 231 GLY . 4729 1 76 232 PHE . 4729 1 77 233 LYS . 4729 1 78 234 LEU . 4729 1 79 235 ALA . 4729 1 80 236 GLN . 4729 1 81 237 ASP . 4729 1 82 238 GLN . 4729 1 83 239 LYS . 4729 1 84 240 SER . 4729 1 85 241 CYS . 4729 1 86 242 GLU . 4729 1 87 243 VAL . 4729 1 88 244 VAL . 4729 1 89 245 SER . 4729 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 4729 1 . MET 2 2 4729 1 . LYS 3 3 4729 1 . ASP 4 4 4729 1 . VAL 5 5 4729 1 . ASP 6 6 4729 1 . GLU 7 7 4729 1 . CYS 8 8 4729 1 . SER 9 9 4729 1 . LEU 10 10 4729 1 . LYS 11 11 4729 1 . PRO 12 12 4729 1 . SER 13 13 4729 1 . ILE 14 14 4729 1 . CYS 15 15 4729 1 . GLY 16 16 4729 1 . THR 17 17 4729 1 . ALA 18 18 4729 1 . VAL 19 19 4729 1 . CYS 20 20 4729 1 . LYS 21 21 4729 1 . ASN 22 22 4729 1 . ILE 23 23 4729 1 . PRO 24 24 4729 1 . GLY 25 25 4729 1 . ASP 26 26 4729 1 . PHE 27 27 4729 1 . GLU 28 28 4729 1 . CYS 29 29 4729 1 . GLU 30 30 4729 1 . CYS 31 31 4729 1 . PRO 32 32 4729 1 . GLU 33 33 4729 1 . GLY 34 34 4729 1 . TYR 35 35 4729 1 . ARG 36 36 4729 1 . TYR 37 37 4729 1 . ASN 38 38 4729 1 . LEU 39 39 4729 1 . LYS 40 40 4729 1 . SER 41 41 4729 1 . LYS 42 42 4729 1 . SER 43 43 4729 1 . CYS 44 44 4729 1 . GLU 45 45 4729 1 . ASP 46 46 4729 1 . ILE 47 47 4729 1 . ASP 48 48 4729 1 . GLU 49 49 4729 1 . CYS 50 50 4729 1 . SER 51 51 4729 1 . GLU 52 52 4729 1 . ASN 53 53 4729 1 . MET 54 54 4729 1 . CYS 55 55 4729 1 . ALA 56 56 4729 1 . GLN 57 57 4729 1 . LEU 58 58 4729 1 . CYS 59 59 4729 1 . VAL 60 60 4729 1 . ASN 61 61 4729 1 . TYR 62 62 4729 1 . PRO 63 63 4729 1 . GLY 64 64 4729 1 . GLY 65 65 4729 1 . TYR 66 66 4729 1 . THR 67 67 4729 1 . CYS 68 68 4729 1 . TYR 69 69 4729 1 . CYS 70 70 4729 1 . ASP 71 71 4729 1 . GLY 72 72 4729 1 . LYS 73 73 4729 1 . LYS 74 74 4729 1 . GLY 75 75 4729 1 . PHE 76 76 4729 1 . LYS 77 77 4729 1 . LEU 78 78 4729 1 . ALA 79 79 4729 1 . GLN 80 80 4729 1 . ASP 81 81 4729 1 . GLN 82 82 4729 1 . LYS 83 83 4729 1 . SER 84 84 4729 1 . CYS 85 85 4729 1 . GLU 86 86 4729 1 . VAL 87 87 4729 1 . VAL 88 88 4729 1 . SER 89 89 4729 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 4729 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . CA . 4729 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4729 _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 $pS_EGF_3-4 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4729 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 4729 _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 $pS_EGF_3-4 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 (DE3) pLysS' . . . . . . . . . . . . . . . . . . . . . . 4729 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 4729 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 10:53:37 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Ca+2] SMILES ACDLabs 10.04 4729 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 4729 CA [Ca++] SMILES CACTVS 3.341 4729 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4729 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 4729 CA InChI=1S/Ca/q+2 InChI InChI 1.03 4729 CA BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 4729 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 4729 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4729 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4729 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4729 _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 'EGF-like module pair 3-4 from human vitamin K-dependent protein S' . . . 1 $pS_EGF_3-4 . . 1.5 . . mM . . . . 4729 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4729 _Sample.ID 2 _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 'EGF-like module pair 3-4 from human vitamin K-dependent protein S' '[U-99% 15N]' . . 1 $pS_EGF_3-4 . . . 0.5 1.5 mM . . . . 4729 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4729 _Sample.ID 3 _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 'EGF-like module pair 3-4 from human vitamin K-dependent protein S' '[U-99% 15N; U-99% 13C]' . . 1 $pS_EGF_3-4 . . . 1.2 1.9 mM . . . . 4729 3 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4729 _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 6.0 0.1 n/a 4729 1 temperature 309 1 K 4729 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4729 _Software.ID 1 _Software.Name FELIX _Software.Version 98.0 _Software.Details . save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4729 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4729 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varain _NMR_spectrometer.Model Unity-Inova _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 4729 _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 Varain Unity-Inova . 600 . . . 4729 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 4729 _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 NOESY, with mixing times 80 and 150 ms.' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4729 1 2 '1H TOCSY, with DIPSI isotropic mixing times of 40 and 110 ms.' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4729 1 3 '1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4729 1 4 '1H-15N TOCSY-HSQC, with a DIPSI mixing sequence (40-110 ms)' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4729 1 5 '1H-15N NOESY-HSQC, with mixing times of 80 and 150 ms' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4729 1 6 HNCA . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4729 1 7 HN(CO)CA . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4729 1 8 HNCACB . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4729 1 9 HNCO . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4729 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 4729 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H NOESY, with mixing times 80 and 150 ms.' _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 4729 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H TOCSY, with DIPSI isotropic mixing times of 40 and 110 ms.' _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 4729 _NMR_spec_expt.ID 3 _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 4729 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-15N TOCSY-HSQC, with a DIPSI mixing sequence (40-110 ms)' _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 4729 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H-15N NOESY-HSQC, with mixing times of 80 and 150 ms' _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4729 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCA _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4729 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(CO)CA _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4729 _NMR_spec_expt.ID 8 _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4729 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCO _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 4729 _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 1.0 . . . 1 $entry_citation . . 1 $entry_citation 4729 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4729 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4729 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_pS_EGF_3-4_major_form _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode pS_EGF_3-4_major_form _Assigned_chem_shift_list.Entry_ID 4729 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 'Major form, in which the Lys 167 - Pro 168 peptide bond is trans.' _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 . 4729 1 . . 2 $sample_2 . 4729 1 . . 3 $sample_3 . 4729 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 MET CA C 13 56.07 0.015 . 1 . . . . . . . . 4729 1 2 . 1 1 3 3 LYS CA C 13 56.83 0.015 . 1 . . . . . . . . 4729 1 3 . 1 1 3 3 LYS CB C 13 33.16 0.015 . 1 . . . . . . . . 4729 1 4 . 1 1 3 3 LYS H H 1 8.53 0.015 . 1 . . . . . . . . 4729 1 5 . 1 1 3 3 LYS HA H 1 4.30 0.015 . 1 . . . . . . . . 4729 1 6 . 1 1 3 3 LYS HB2 H 1 1.81 0.015 . 1 . . . . . . . . 4729 1 7 . 1 1 3 3 LYS HB3 H 1 1.81 0.015 . 1 . . . . . . . . 4729 1 8 . 1 1 3 3 LYS HG2 H 1 1.44 0.015 . 1 . . . . . . . . 4729 1 9 . 1 1 3 3 LYS HG3 H 1 1.44 0.015 . 1 . . . . . . . . 4729 1 10 . 1 1 3 3 LYS N N 15 122.47 0.015 . 1 . . . . . . . . 4729 1 11 . 1 1 4 4 ASP CA C 13 54.87 0.015 . 1 . . . . . . . . 4729 1 12 . 1 1 4 4 ASP CB C 13 41.52 0.015 . 1 . . . . . . . . 4729 1 13 . 1 1 4 4 ASP H H 1 8.30 0.015 . 1 . . . . . . . . 4729 1 14 . 1 1 4 4 ASP HA H 1 4.63 0.015 . 1 . . . . . . . . 4729 1 15 . 1 1 4 4 ASP HB2 H 1 2.65 0.015 . 1 . . . . . . . . 4729 1 16 . 1 1 4 4 ASP HB3 H 1 2.65 0.015 . 1 . . . . . . . . 4729 1 17 . 1 1 4 4 ASP N N 15 121.43 0.015 . 1 . . . . . . . . 4729 1 18 . 1 1 5 5 VAL CA C 13 62.02 0.015 . 1 . . . . . . . . 4729 1 19 . 1 1 5 5 VAL CB C 13 33.55 0.015 . 1 . . . . . . . . 4729 1 20 . 1 1 5 5 VAL H H 1 7.96 0.015 . 1 . . . . . . . . 4729 1 21 . 1 1 5 5 VAL HA H 1 4.10 0.015 . 1 . . . . . . . . 4729 1 22 . 1 1 5 5 VAL HB H 1 2.05 0.015 . 1 . . . . . . . . 4729 1 23 . 1 1 5 5 VAL HG11 H 1 0.88 0.015 . 1 . . . . . . . . 4729 1 24 . 1 1 5 5 VAL HG12 H 1 0.88 0.015 . 1 . . . . . . . . 4729 1 25 . 1 1 5 5 VAL HG13 H 1 0.88 0.015 . 1 . . . . . . . . 4729 1 26 . 1 1 5 5 VAL HG21 H 1 0.88 0.015 . 1 . . . . . . . . 4729 1 27 . 1 1 5 5 VAL HG22 H 1 0.88 0.015 . 1 . . . . . . . . 4729 1 28 . 1 1 5 5 VAL HG23 H 1 0.88 0.015 . 1 . . . . . . . . 4729 1 29 . 1 1 5 5 VAL N N 15 119.19 0.015 . 1 . . . . . . . . 4729 1 30 . 1 1 6 6 ASP CA C 13 52.95 0.015 . 1 . . . . . . . . 4729 1 31 . 1 1 6 6 ASP H H 1 8.30 0.015 . 1 . . . . . . . . 4729 1 32 . 1 1 6 6 ASP HA H 1 4.68 0.015 . 1 . . . . . . . . 4729 1 33 . 1 1 6 6 ASP HB2 H 1 2.57 0.015 . 2 . . . . . . . . 4729 1 34 . 1 1 6 6 ASP HB3 H 1 2.82 0.015 . 2 . . . . . . . . 4729 1 35 . 1 1 6 6 ASP N N 15 124.13 0.015 . 1 . . . . . . . . 4729 1 36 . 1 1 6 6 ASP C C 13 174.55 0.015 . 1 . . . . . . . . 4729 1 37 . 1 1 7 7 GLU CA C 13 59.47 0.015 . 1 . . . . . . . . 4729 1 38 . 1 1 7 7 GLU H H 1 8.59 0.015 . 1 . . . . . . . . 4729 1 39 . 1 1 7 7 GLU HA H 1 3.96 0.015 . 1 . . . . . . . . 4729 1 40 . 1 1 7 7 GLU HB2 H 1 1.92 0.015 . 1 . . . . . . . . 4729 1 41 . 1 1 7 7 GLU HB3 H 1 1.92 0.015 . 1 . . . . . . . . 4729 1 42 . 1 1 7 7 GLU HG2 H 1 2.27 0.015 . 1 . . . . . . . . 4729 1 43 . 1 1 7 7 GLU HG3 H 1 2.27 0.015 . 1 . . . . . . . . 4729 1 44 . 1 1 7 7 GLU N N 15 124.52 0.015 . 1 . . . . . . . . 4729 1 45 . 1 1 8 8 CYS CA C 13 57.11 0.015 . 1 . . . . . . . . 4729 1 46 . 1 1 8 8 CYS H H 1 8.37 0.015 . 1 . . . . . . . . 4729 1 47 . 1 1 8 8 CYS HA H 1 4.17 0.015 . 1 . . . . . . . . 4729 1 48 . 1 1 8 8 CYS HB2 H 1 2.97 0.015 . 1 . . . . . . . . 4729 1 49 . 1 1 8 8 CYS HB3 H 1 2.97 0.015 . 1 . . . . . . . . 4729 1 50 . 1 1 8 8 CYS N N 15 114.75 0.015 . 1 . . . . . . . . 4729 1 51 . 1 1 9 9 SER CA C 13 60.38 0.015 . 1 . . . . . . . . 4729 1 52 . 1 1 9 9 SER H H 1 7.68 0.015 . 1 . . . . . . . . 4729 1 53 . 1 1 9 9 SER HA H 1 4.25 0.015 . 1 . . . . . . . . 4729 1 54 . 1 1 9 9 SER HB2 H 1 3.82 0.015 . 1 . . . . . . . . 4729 1 55 . 1 1 9 9 SER HB3 H 1 3.82 0.015 . 1 . . . . . . . . 4729 1 56 . 1 1 9 9 SER N N 15 114.07 0.015 . 1 . . . . . . . . 4729 1 57 . 1 1 9 9 SER C C 13 175.58 0.015 . 1 . . . . . . . . 4729 1 58 . 1 1 10 10 LEU C C 13 170.61 0.015 . 1 . . . . . . . . 4729 1 59 . 1 1 10 10 LEU CA C 13 56.75 0.015 . 1 . . . . . . . . 4729 1 60 . 1 1 10 10 LEU CB C 13 42.98 0.015 . 1 . . . . . . . . 4729 1 61 . 1 1 10 10 LEU H H 1 7.44 0.015 . 1 . . . . . . . . 4729 1 62 . 1 1 10 10 LEU HA H 1 4.19 0.015 . 1 . . . . . . . . 4729 1 63 . 1 1 10 10 LEU HB2 H 1 1.57 0.015 . 2 . . . . . . . . 4729 1 64 . 1 1 10 10 LEU HB3 H 1 1.70 0.015 . 2 . . . . . . . . 4729 1 65 . 1 1 10 10 LEU HG H 1 1.65 0.015 . 1 . . . . . . . . 4729 1 66 . 1 1 10 10 LEU HD11 H 1 0.83 0.015 . 1 . . . . . . . . 4729 1 67 . 1 1 10 10 LEU HD12 H 1 0.83 0.015 . 1 . . . . . . . . 4729 1 68 . 1 1 10 10 LEU HD13 H 1 0.83 0.015 . 1 . . . . . . . . 4729 1 69 . 1 1 10 10 LEU HD21 H 1 0.83 0.015 . 1 . . . . . . . . 4729 1 70 . 1 1 10 10 LEU HD22 H 1 0.83 0.015 . 1 . . . . . . . . 4729 1 71 . 1 1 10 10 LEU HD23 H 1 0.83 0.015 . 1 . . . . . . . . 4729 1 72 . 1 1 10 10 LEU N N 15 120.75 0.015 . 1 . . . . . . . . 4729 1 73 . 1 1 11 11 LYS CA C 13 53.51 0.015 . 1 . . . . . . . . 4729 1 74 . 1 1 11 11 LYS CB C 13 33.24 0.015 . 1 . . . . . . . . 4729 1 75 . 1 1 11 11 LYS H H 1 7.45 0.015 . 1 . . . . . . . . 4729 1 76 . 1 1 11 11 LYS HA H 1 4.68 0.015 . 1 . . . . . . . . 4729 1 77 . 1 1 11 11 LYS HB2 H 1 1.59 0.015 . 4 . . . . . . . . 4729 1 78 . 1 1 11 11 LYS HB3 H 1 1.59 0.015 . 4 . . . . . . . . 4729 1 79 . 1 1 11 11 LYS HG2 H 1 1.25 0.015 . 1 . . . . . . . . 4729 1 80 . 1 1 11 11 LYS HG3 H 1 1.25 0.015 . 1 . . . . . . . . 4729 1 81 . 1 1 11 11 LYS HD2 H 1 1.59 0.015 . 4 . . . . . . . . 4729 1 82 . 1 1 11 11 LYS HD3 H 1 1.59 0.015 . 4 . . . . . . . . 4729 1 83 . 1 1 11 11 LYS N N 15 118.42 0.015 . 1 . . . . . . . . 4729 1 84 . 1 1 12 12 PRO C C 13 178.19 0.015 . 1 . . . . . . . . 4729 1 85 . 1 1 12 12 PRO CA C 13 64.26 0.015 . 1 . . . . . . . . 4729 1 86 . 1 1 12 12 PRO HA H 1 4.44 0.015 . 1 . . . . . . . . 4729 1 87 . 1 1 12 12 PRO HG2 H 1 1.96 0.015 . 1 . . . . . . . . 4729 1 88 . 1 1 12 12 PRO HG3 H 1 1.96 0.015 . 1 . . . . . . . . 4729 1 89 . 1 1 13 13 SER HB3 H 1 4.52 0.015 . 2 . . . . . . . . 4729 1 90 . 1 1 13 13 SER N N 15 113.13 0.015 . 1 . . . . . . . . 4729 1 91 . 1 1 13 13 SER C C 13 177.18 0.015 . 1 . . . . . . . . 4729 1 92 . 1 1 13 13 SER CA C 13 59.11 0.015 . 1 . . . . . . . . 4729 1 93 . 1 1 13 13 SER H H 1 8.37 0.015 . 1 . . . . . . . . 4729 1 94 . 1 1 13 13 SER HA H 1 4.66 0.015 . 1 . . . . . . . . 4729 1 95 . 1 1 13 13 SER HB2 H 1 4.01 0.015 . 2 . . . . . . . . 4729 1 96 . 1 1 14 14 ILE H H 1 7.76 0.015 . 1 . . . . . . . . 4729 1 97 . 1 1 14 14 ILE HA H 1 4.00 0.015 . 1 . . . . . . . . 4729 1 98 . 1 1 14 14 ILE HB H 1 1.80 0.015 . 1 . . . . . . . . 4729 1 99 . 1 1 14 14 ILE HG12 H 1 1.24 0.015 . 2 . . . . . . . . 4729 1 100 . 1 1 14 14 ILE HG13 H 1 1.62 0.015 . 2 . . . . . . . . 4729 1 101 . 1 1 14 14 ILE HG21 H 1 0.96 0.015 . 1 . . . . . . . . 4729 1 102 . 1 1 14 14 ILE HG22 H 1 0.96 0.015 . 1 . . . . . . . . 4729 1 103 . 1 1 14 14 ILE HG23 H 1 0.96 0.015 . 1 . . . . . . . . 4729 1 104 . 1 1 14 14 ILE HD11 H 1 0.64 0.015 . 1 . . . . . . . . 4729 1 105 . 1 1 14 14 ILE HD12 H 1 0.64 0.015 . 1 . . . . . . . . 4729 1 106 . 1 1 14 14 ILE HD13 H 1 0.64 0.015 . 1 . . . . . . . . 4729 1 107 . 1 1 14 14 ILE N N 15 124.20 0.015 . 1 . . . . . . . . 4729 1 108 . 1 1 14 14 ILE C C 13 176.00 0.015 . 1 . . . . . . . . 4729 1 109 . 1 1 14 14 ILE CA C 13 63.50 0.015 . 1 . . . . . . . . 4729 1 110 . 1 1 15 15 CYS H H 1 8.43 0.015 . 1 . . . . . . . . 4729 1 111 . 1 1 15 15 CYS HA H 1 5.10 0.015 . 1 . . . . . . . . 4729 1 112 . 1 1 15 15 CYS HB2 H 1 2.35 0.015 . 2 . . . . . . . . 4729 1 113 . 1 1 15 15 CYS HB3 H 1 2.87 0.015 . 2 . . . . . . . . 4729 1 114 . 1 1 15 15 CYS N N 15 117.92 0.015 . 1 . . . . . . . . 4729 1 115 . 1 1 15 15 CYS C C 13 175.42 0.015 . 1 . . . . . . . . 4729 1 116 . 1 1 15 15 CYS CA C 13 53.91 0.015 . 1 . . . . . . . . 4729 1 117 . 1 1 16 16 GLY H H 1 7.94 0.015 . 1 . . . . . . . . 4729 1 118 . 1 1 16 16 GLY HA2 H 1 3.75 0.015 . 2 . . . . . . . . 4729 1 119 . 1 1 16 16 GLY HA3 H 1 4.67 0.015 . 2 . . . . . . . . 4729 1 120 . 1 1 16 16 GLY N N 15 108.23 0.015 . 1 . . . . . . . . 4729 1 121 . 1 1 16 16 GLY C C 13 176.18 0.015 . 1 . . . . . . . . 4729 1 122 . 1 1 16 16 GLY CA C 13 47.59 0.015 . 1 . . . . . . . . 4729 1 123 . 1 1 17 17 THR H H 1 8.44 0.015 . 1 . . . . . . . . 4729 1 124 . 1 1 17 17 THR HA H 1 4.45 0.015 . 1 . . . . . . . . 4729 1 125 . 1 1 17 17 THR HG21 H 1 1.28 0.015 . 1 . . . . . . . . 4729 1 126 . 1 1 17 17 THR HG22 H 1 1.28 0.015 . 1 . . . . . . . . 4729 1 127 . 1 1 17 17 THR HG23 H 1 1.28 0.015 . 1 . . . . . . . . 4729 1 128 . 1 1 17 17 THR N N 15 116.87 0.015 . 1 . . . . . . . . 4729 1 129 . 1 1 17 17 THR C C 13 175.52 0.015 . 1 . . . . . . . . 4729 1 130 . 1 1 17 17 THR CA C 13 61.86 0.015 . 1 . . . . . . . . 4729 1 131 . 1 1 18 18 ALA H H 1 8.26 0.015 . 1 . . . . . . . . 4729 1 132 . 1 1 18 18 ALA HA H 1 4.58 0.015 . 1 . . . . . . . . 4729 1 133 . 1 1 18 18 ALA HB1 H 1 1.45 0.015 . 1 . . . . . . . . 4729 1 134 . 1 1 18 18 ALA HB2 H 1 1.45 0.015 . 1 . . . . . . . . 4729 1 135 . 1 1 18 18 ALA HB3 H 1 1.45 0.015 . 1 . . . . . . . . 4729 1 136 . 1 1 18 18 ALA N N 15 126.32 0.015 . 1 . . . . . . . . 4729 1 137 . 1 1 18 18 ALA C C 13 175.11 0.015 . 1 . . . . . . . . 4729 1 138 . 1 1 18 18 ALA CA C 13 51.74 0.015 . 1 . . . . . . . . 4729 1 139 . 1 1 18 18 ALA CB C 13 20.86 0.015 . 1 . . . . . . . . 4729 1 140 . 1 1 19 19 VAL H H 1 7.83 0.015 . 1 . . . . . . . . 4729 1 141 . 1 1 19 19 VAL HA H 1 4.01 0.015 . 1 . . . . . . . . 4729 1 142 . 1 1 19 19 VAL HB H 1 1.92 0.015 . 1 . . . . . . . . 4729 1 143 . 1 1 19 19 VAL HG11 H 1 0.86 0.015 . 2 . . . . . . . . 4729 1 144 . 1 1 19 19 VAL HG12 H 1 0.86 0.015 . 2 . . . . . . . . 4729 1 145 . 1 1 19 19 VAL HG13 H 1 0.86 0.015 . 2 . . . . . . . . 4729 1 146 . 1 1 19 19 VAL HG21 H 1 0.94 0.015 . 2 . . . . . . . . 4729 1 147 . 1 1 19 19 VAL HG22 H 1 0.94 0.015 . 2 . . . . . . . . 4729 1 148 . 1 1 19 19 VAL HG23 H 1 0.94 0.015 . 2 . . . . . . . . 4729 1 149 . 1 1 19 19 VAL N N 15 118.39 0.015 . 1 . . . . . . . . 4729 1 150 . 1 1 19 19 VAL C C 13 175.09 0.015 . 1 . . . . . . . . 4729 1 151 . 1 1 19 19 VAL CA C 13 62.67 0.015 . 1 . . . . . . . . 4729 1 152 . 1 1 19 19 VAL CB C 13 34.14 0.015 . 1 . . . . . . . . 4729 1 153 . 1 1 20 20 CYS H H 1 8.51 0.015 . 1 . . . . . . . . 4729 1 154 . 1 1 20 20 CYS HA H 1 5.06 0.015 . 1 . . . . . . . . 4729 1 155 . 1 1 20 20 CYS HB2 H 1 2.57 0.015 . 2 . . . . . . . . 4729 1 156 . 1 1 20 20 CYS HB3 H 1 3.04 0.015 . 2 . . . . . . . . 4729 1 157 . 1 1 20 20 CYS N N 15 127.15 0.015 . 1 . . . . . . . . 4729 1 158 . 1 1 21 21 LYS HA H 1 4.61 0.015 . 1 . . . . . . . . 4729 1 159 . 1 1 21 21 LYS HB2 H 1 1.82 0.015 . 1 . . . . . . . . 4729 1 160 . 1 1 21 21 LYS HB3 H 1 1.82 0.015 . 1 . . . . . . . . 4729 1 161 . 1 1 21 21 LYS HG2 H 1 1.28 0.015 . 2 . . . . . . . . 4729 1 162 . 1 1 21 21 LYS HG3 H 1 1.40 0.015 . 2 . . . . . . . . 4729 1 163 . 1 1 21 21 LYS HD2 H 1 1.64 0.015 . 1 . . . . . . . . 4729 1 164 . 1 1 21 21 LYS HD3 H 1 1.64 0.015 . 1 . . . . . . . . 4729 1 165 . 1 1 22 22 ASN H H 1 8.66 0.015 . 1 . . . . . . . . 4729 1 166 . 1 1 22 22 ASN HA H 1 4.87 0.015 . 1 . . . . . . . . 4729 1 167 . 1 1 22 22 ASN HB2 H 1 2.72 0.015 . 2 . . . . . . . . 4729 1 168 . 1 1 22 22 ASN HB3 H 1 2.81 0.015 . 2 . . . . . . . . 4729 1 169 . 1 1 22 22 ASN HD21 H 1 7.37 0.015 . 2 . . . . . . . . 4729 1 170 . 1 1 22 22 ASN HD22 H 1 7.45 0.015 . 2 . . . . . . . . 4729 1 171 . 1 1 22 22 ASN N N 15 123.55 0.015 . 1 . . . . . . . . 4729 1 172 . 1 1 22 22 ASN ND2 N 15 114.58 0.015 . 1 . . . . . . . . 4729 1 173 . 1 1 22 22 ASN C C 13 175.10 0.015 . 1 . . . . . . . . 4729 1 174 . 1 1 22 22 ASN CA C 13 54.87 0.015 . 1 . . . . . . . . 4729 1 175 . 1 1 23 23 ILE H H 1 7.91 0.015 . 1 . . . . . . . . 4729 1 176 . 1 1 23 23 ILE HA H 1 4.71 0.015 . 1 . . . . . . . . 4729 1 177 . 1 1 23 23 ILE HB H 1 1.94 0.015 . 1 . . . . . . . . 4729 1 178 . 1 1 23 23 ILE HG12 H 1 0.83 0.015 . 2 . . . . . . . . 4729 1 179 . 1 1 23 23 ILE HG13 H 1 0.95 0.015 . 2 . . . . . . . . 4729 1 180 . 1 1 23 23 ILE HG21 H 1 0.71 0.015 . 1 . . . . . . . . 4729 1 181 . 1 1 23 23 ILE HG22 H 1 0.71 0.015 . 1 . . . . . . . . 4729 1 182 . 1 1 23 23 ILE HG23 H 1 0.71 0.015 . 1 . . . . . . . . 4729 1 183 . 1 1 23 23 ILE HD11 H 1 0.55 0.015 . 1 . . . . . . . . 4729 1 184 . 1 1 23 23 ILE HD12 H 1 0.55 0.015 . 1 . . . . . . . . 4729 1 185 . 1 1 23 23 ILE HD13 H 1 0.55 0.015 . 1 . . . . . . . . 4729 1 186 . 1 1 23 23 ILE N N 15 119.84 0.015 . 1 . . . . . . . . 4729 1 187 . 1 1 23 23 ILE CA C 13 59.43 0.015 . 1 . . . . . . . . 4729 1 188 . 1 1 24 24 PRO HA H 1 4.32 0.015 . 1 . . . . . . . . 4729 1 189 . 1 1 25 25 GLY H H 1 8.81 0.015 . 1 . . . . . . . . 4729 1 190 . 1 1 25 25 GLY HA2 H 1 3.87 0.015 . 2 . . . . . . . . 4729 1 191 . 1 1 25 25 GLY HA3 H 1 4.05 0.015 . 2 . . . . . . . . 4729 1 192 . 1 1 25 25 GLY N N 15 114.69 0.015 . 1 . . . . . . . . 4729 1 193 . 1 1 25 25 GLY C C 13 176.58 0.015 . 1 . . . . . . . . 4729 1 194 . 1 1 25 25 GLY CA C 13 46.75 0.015 . 1 . . . . . . . . 4729 1 195 . 1 1 26 26 ASP H H 1 8.27 0.015 . 1 . . . . . . . . 4729 1 196 . 1 1 26 26 ASP HA H 1 4.87 0.015 . 1 . . . . . . . . 4729 1 197 . 1 1 26 26 ASP HB2 H 1 2.44 0.015 . 2 . . . . . . . . 4729 1 198 . 1 1 26 26 ASP HB3 H 1 2.54 0.015 . 2 . . . . . . . . 4729 1 199 . 1 1 26 26 ASP N N 15 121.13 0.015 . 1 . . . . . . . . 4729 1 200 . 1 1 26 26 ASP CA C 13 54.39 0.015 . 1 . . . . . . . . 4729 1 201 . 1 1 27 27 PHE H H 1 8.75 0.015 . 1 . . . . . . . . 4729 1 202 . 1 1 27 27 PHE HA H 1 5.28 0.015 . 1 . . . . . . . . 4729 1 203 . 1 1 27 27 PHE HB2 H 1 2.97 0.015 . 1 . . . . . . . . 4729 1 204 . 1 1 27 27 PHE HB3 H 1 2.97 0.015 . 1 . . . . . . . . 4729 1 205 . 1 1 27 27 PHE N N 15 117.41 0.015 . 1 . . . . . . . . 4729 1 206 . 1 1 27 27 PHE CA C 13 56.79 0.015 . 1 . . . . . . . . 4729 1 207 . 1 1 28 28 GLU H H 1 9.03 0.015 . 1 . . . . . . . . 4729 1 208 . 1 1 28 28 GLU HA H 1 4.36 0.015 . 1 . . . . . . . . 4729 1 209 . 1 1 28 28 GLU HB2 H 1 1.82 0.015 . 1 . . . . . . . . 4729 1 210 . 1 1 28 28 GLU HB3 H 1 1.82 0.015 . 1 . . . . . . . . 4729 1 211 . 1 1 28 28 GLU N N 15 119.53 0.015 . 1 . . . . . . . . 4729 1 212 . 1 1 28 28 GLU C C 13 174.07 0.015 . 1 . . . . . . . . 4729 1 213 . 1 1 29 29 CYS H H 1 8.14 0.015 . 1 . . . . . . . . 4729 1 214 . 1 1 29 29 CYS N N 15 120.16 0.015 . 1 . . . . . . . . 4729 1 215 . 1 1 30 30 GLU CA C 13 55.74 0.015 . 1 . . . . . . . . 4729 1 216 . 1 1 30 30 GLU H H 1 9.43 0.015 . 1 . . . . . . . . 4729 1 217 . 1 1 30 30 GLU HA H 1 4.54 0.015 . 1 . . . . . . . . 4729 1 218 . 1 1 30 30 GLU HB2 H 1 1.84 0.015 . 2 . . . . . . . . 4729 1 219 . 1 1 30 30 GLU HB3 H 1 1.96 0.015 . 2 . . . . . . . . 4729 1 220 . 1 1 30 30 GLU HG2 H 1 2.08 0.015 . 2 . . . . . . . . 4729 1 221 . 1 1 30 30 GLU HG3 H 1 2.21 0.015 . 2 . . . . . . . . 4729 1 222 . 1 1 30 30 GLU N N 15 123.98 0.015 . 1 . . . . . . . . 4729 1 223 . 1 1 30 30 GLU C C 13 174.87 0.015 . 1 . . . . . . . . 4729 1 224 . 1 1 31 31 CYS CA C 13 53.18 0.015 . 1 . . . . . . . . 4729 1 225 . 1 1 31 31 CYS H H 1 8.65 0.015 . 1 . . . . . . . . 4729 1 226 . 1 1 31 31 CYS HA H 1 5.28 0.015 . 1 . . . . . . . . 4729 1 227 . 1 1 31 31 CYS HB2 H 1 2.55 0.015 . 2 . . . . . . . . 4729 1 228 . 1 1 31 31 CYS HB3 H 1 2.95 0.015 . 2 . . . . . . . . 4729 1 229 . 1 1 31 31 CYS N N 15 122.04 0.015 . 1 . . . . . . . . 4729 1 230 . 1 1 32 32 PRO CA C 13 62.54 0.015 . 1 . . . . . . . . 4729 1 231 . 1 1 32 32 PRO CB C 13 32.48 0.015 . 1 . . . . . . . . 4729 1 232 . 1 1 32 32 PRO HA H 1 4.56 0.015 . 1 . . . . . . . . 4729 1 233 . 1 1 32 32 PRO HB2 H 1 1.82 0.015 . 2 . . . . . . . . 4729 1 234 . 1 1 32 32 PRO HD2 H 1 3.07 0.015 . 2 . . . . . . . . 4729 1 235 . 1 1 32 32 PRO C C 13 174.86 0.015 . 1 . . . . . . . . 4729 1 236 . 1 1 33 33 GLU CA C 13 58.60 0.015 . 1 . . . . . . . . 4729 1 237 . 1 1 33 33 GLU CB C 13 30.04 0.015 . 1 . . . . . . . . 4729 1 238 . 1 1 33 33 GLU H H 1 8.39 0.015 . 1 . . . . . . . . 4729 1 239 . 1 1 33 33 GLU HA H 1 4.17 0.015 . 1 . . . . . . . . 4729 1 240 . 1 1 33 33 GLU HB2 H 1 1.91 0.015 . 2 . . . . . . . . 4729 1 241 . 1 1 33 33 GLU HB3 H 1 2.08 0.015 . 2 . . . . . . . . 4729 1 242 . 1 1 33 33 GLU HG2 H 1 2.42 0.015 . 1 . . . . . . . . 4729 1 243 . 1 1 33 33 GLU HG3 H 1 2.42 0.015 . 1 . . . . . . . . 4729 1 244 . 1 1 33 33 GLU N N 15 119.92 0.015 . 1 . . . . . . . . 4729 1 245 . 1 1 33 33 GLU C C 13 177.39 0.015 . 1 . . . . . . . . 4729 1 246 . 1 1 34 34 GLY CA C 13 45.09 0.015 . 1 . . . . . . . . 4729 1 247 . 1 1 34 34 GLY H H 1 8.84 0.015 . 1 . . . . . . . . 4729 1 248 . 1 1 34 34 GLY HA2 H 1 3.42 0.015 . 2 . . . . . . . . 4729 1 249 . 1 1 34 34 GLY HA3 H 1 4.37 0.015 . 2 . . . . . . . . 4729 1 250 . 1 1 34 34 GLY N N 15 111.00 0.015 . 1 . . . . . . . . 4729 1 251 . 1 1 34 34 GLY C C 13 173.45 0.015 . 1 . . . . . . . . 4729 1 252 . 1 1 35 35 TYR CA C 13 56.89 0.015 . 1 . . . . . . . . 4729 1 253 . 1 1 35 35 TYR CB C 13 42.34 0.015 . 1 . . . . . . . . 4729 1 254 . 1 1 35 35 TYR H H 1 8.31 0.015 . 1 . . . . . . . . 4729 1 255 . 1 1 35 35 TYR HA H 1 5.17 0.015 . 1 . . . . . . . . 4729 1 256 . 1 1 35 35 TYR HB2 H 1 2.54 0.015 . 2 . . . . . . . . 4729 1 257 . 1 1 35 35 TYR HB3 H 1 3.10 0.015 . 2 . . . . . . . . 4729 1 258 . 1 1 35 35 TYR HD1 H 1 6.80 0.015 . 1 . . . . . . . . 4729 1 259 . 1 1 35 35 TYR HD2 H 1 6.80 0.015 . 1 . . . . . . . . 4729 1 260 . 1 1 35 35 TYR N N 15 117.95 0.015 . 1 . . . . . . . . 4729 1 261 . 1 1 35 35 TYR C C 13 174.13 0.015 . 1 . . . . . . . . 4729 1 262 . 1 1 36 36 ARG CA C 13 54.67 0.015 . 1 . . . . . . . . 4729 1 263 . 1 1 36 36 ARG CB C 13 34.65 0.015 . 1 . . . . . . . . 4729 1 264 . 1 1 36 36 ARG CG C 13 27.36 0.015 . 1 . . . . . . . . 4729 1 265 . 1 1 36 36 ARG CD C 13 44.11 0.015 . 1 . . . . . . . . 4729 1 266 . 1 1 36 36 ARG H H 1 9.41 0.015 . 1 . . . . . . . . 4729 1 267 . 1 1 36 36 ARG HA H 1 4.76 0.015 . 1 . . . . . . . . 4729 1 268 . 1 1 36 36 ARG HB2 H 1 1.72 0.015 . 1 . . . . . . . . 4729 1 269 . 1 1 36 36 ARG HB3 H 1 1.72 0.015 . 1 . . . . . . . . 4729 1 270 . 1 1 36 36 ARG HG2 H 1 1.59 0.015 . 1 . . . . . . . . 4729 1 271 . 1 1 36 36 ARG HG3 H 1 1.59 0.015 . 1 . . . . . . . . 4729 1 272 . 1 1 36 36 ARG HD2 H 1 3.19 0.015 . 1 . . . . . . . . 4729 1 273 . 1 1 36 36 ARG HD3 H 1 3.19 0.015 . 1 . . . . . . . . 4729 1 274 . 1 1 36 36 ARG HE H 1 7.15 0.015 . 1 . . . . . . . . 4729 1 275 . 1 1 36 36 ARG N N 15 118.42 0.015 . 1 . . . . . . . . 4729 1 276 . 1 1 36 36 ARG NE N 15 84.13 0.015 . 1 . . . . . . . . 4729 1 277 . 1 1 36 36 ARG C C 13 175.40 0.015 . 1 . . . . . . . . 4729 1 278 . 1 1 37 37 TYR CA C 13 59.70 0.015 . 1 . . . . . . . . 4729 1 279 . 1 1 37 37 TYR CB C 13 38.88 0.015 . 1 . . . . . . . . 4729 1 280 . 1 1 37 37 TYR H H 1 9.12 0.015 . 1 . . . . . . . . 4729 1 281 . 1 1 37 37 TYR HA H 1 4.50 0.015 . 1 . . . . . . . . 4729 1 282 . 1 1 37 37 TYR HB2 H 1 2.88 0.015 . 1 . . . . . . . . 4729 1 283 . 1 1 37 37 TYR HB3 H 1 2.88 0.015 . 1 . . . . . . . . 4729 1 284 . 1 1 37 37 TYR HD1 H 1 6.73 0.015 . 1 . . . . . . . . 4729 1 285 . 1 1 37 37 TYR HD2 H 1 6.73 0.015 . 1 . . . . . . . . 4729 1 286 . 1 1 37 37 TYR HE1 H 1 6.59 0.015 . 1 . . . . . . . . 4729 1 287 . 1 1 37 37 TYR HE2 H 1 6.59 0.015 . 1 . . . . . . . . 4729 1 288 . 1 1 37 37 TYR N N 15 127.38 0.015 . 1 . . . . . . . . 4729 1 289 . 1 1 37 37 TYR C C 13 174.42 0.015 . 1 . . . . . . . . 4729 1 290 . 1 1 38 38 ASN CA C 13 52.05 0.015 . 1 . . . . . . . . 4729 1 291 . 1 1 38 38 ASN CB C 13 39.59 0.015 . 1 . . . . . . . . 4729 1 292 . 1 1 38 38 ASN H H 1 8.29 0.015 . 1 . . . . . . . . 4729 1 293 . 1 1 38 38 ASN HA H 1 4.67 0.015 . 1 . . . . . . . . 4729 1 294 . 1 1 38 38 ASN HB2 H 1 2.28 0.015 . 1 . . . . . . . . 4729 1 295 . 1 1 38 38 ASN HB3 H 1 2.28 0.015 . 1 . . . . . . . . 4729 1 296 . 1 1 38 38 ASN HD21 H 1 6.78 0.015 . 2 . . . . . . . . 4729 1 297 . 1 1 38 38 ASN HD22 H 1 7.90 0.015 . 2 . . . . . . . . 4729 1 298 . 1 1 38 38 ASN N N 15 128.83 0.015 . 1 . . . . . . . . 4729 1 299 . 1 1 38 38 ASN ND2 N 15 113.52 0.015 . 1 . . . . . . . . 4729 1 300 . 1 1 38 38 ASN C C 13 174.81 0.015 . 1 . . . . . . . . 4729 1 301 . 1 1 39 39 LEU CA C 13 58.03 0.015 . 1 . . . . . . . . 4729 1 302 . 1 1 39 39 LEU CB C 13 42.76 0.015 . 1 . . . . . . . . 4729 1 303 . 1 1 39 39 LEU H H 1 8.35 0.015 . 1 . . . . . . . . 4729 1 304 . 1 1 39 39 LEU HA H 1 3.79 0.015 . 1 . . . . . . . . 4729 1 305 . 1 1 39 39 LEU HB2 H 1 1.74 0.015 . 1 . . . . . . . . 4729 1 306 . 1 1 39 39 LEU HB3 H 1 1.74 0.015 . 1 . . . . . . . . 4729 1 307 . 1 1 39 39 LEU HD11 H 1 1.04 0.015 . 1 . . . . . . . . 4729 1 308 . 1 1 39 39 LEU HD12 H 1 1.04 0.015 . 1 . . . . . . . . 4729 1 309 . 1 1 39 39 LEU HD13 H 1 1.04 0.015 . 1 . . . . . . . . 4729 1 310 . 1 1 39 39 LEU HD21 H 1 1.04 0.015 . 1 . . . . . . . . 4729 1 311 . 1 1 39 39 LEU HD22 H 1 1.04 0.015 . 1 . . . . . . . . 4729 1 312 . 1 1 39 39 LEU HD23 H 1 1.04 0.015 . 1 . . . . . . . . 4729 1 313 . 1 1 39 39 LEU N N 15 125.40 0.015 . 1 . . . . . . . . 4729 1 314 . 1 1 39 39 LEU C C 13 178.03 0.015 . 1 . . . . . . . . 4729 1 315 . 1 1 40 40 LYS CA C 13 58.85 0.015 . 1 . . . . . . . . 4729 1 316 . 1 1 40 40 LYS CB C 13 32.56 0.015 . 1 . . . . . . . . 4729 1 317 . 1 1 40 40 LYS H H 1 8.10 0.015 . 1 . . . . . . . . 4729 1 318 . 1 1 40 40 LYS HA H 1 4.11 0.015 . 1 . . . . . . . . 4729 1 319 . 1 1 40 40 LYS HB2 H 1 1.87 0.015 . 1 . . . . . . . . 4729 1 320 . 1 1 40 40 LYS HB3 H 1 1.87 0.015 . 1 . . . . . . . . 4729 1 321 . 1 1 40 40 LYS HG2 H 1 1.40 0.015 . 2 . . . . . . . . 4729 1 322 . 1 1 40 40 LYS HG3 H 1 1.50 0.015 . 2 . . . . . . . . 4729 1 323 . 1 1 40 40 LYS HD2 H 1 1.72 0.015 . 1 . . . . . . . . 4729 1 324 . 1 1 40 40 LYS HD3 H 1 1.72 0.015 . 1 . . . . . . . . 4729 1 325 . 1 1 40 40 LYS HE2 H 1 3.10 0.015 . 1 . . . . . . . . 4729 1 326 . 1 1 40 40 LYS HE3 H 1 3.10 0.015 . 1 . . . . . . . . 4729 1 327 . 1 1 40 40 LYS N N 15 117.43 0.015 . 1 . . . . . . . . 4729 1 328 . 1 1 40 40 LYS C C 13 177.96 0.015 . 1 . . . . . . . . 4729 1 329 . 1 1 41 41 SER CA C 13 57.95 0.015 . 1 . . . . . . . . 4729 1 330 . 1 1 41 41 SER CB C 13 64.53 0.015 . 1 . . . . . . . . 4729 1 331 . 1 1 41 41 SER H H 1 7.46 0.015 . 1 . . . . . . . . 4729 1 332 . 1 1 41 41 SER HA H 1 4.35 0.015 . 1 . . . . . . . . 4729 1 333 . 1 1 41 41 SER HB2 H 1 3.58 0.015 . 2 . . . . . . . . 4729 1 334 . 1 1 41 41 SER HB3 H 1 3.96 0.015 . 2 . . . . . . . . 4729 1 335 . 1 1 41 41 SER N N 15 111.49 0.015 . 1 . . . . . . . . 4729 1 336 . 1 1 41 41 SER C C 13 174.63 0.015 . 1 . . . . . . . . 4729 1 337 . 1 1 42 42 LYS CA C 13 57.49 0.015 . 1 . . . . . . . . 4729 1 338 . 1 1 42 42 LYS CB C 13 30.03 0.015 . 1 . . . . . . . . 4729 1 339 . 1 1 42 42 LYS H H 1 8.00 0.015 . 1 . . . . . . . . 4729 1 340 . 1 1 42 42 LYS HA H 1 3.83 0.015 . 1 . . . . . . . . 4729 1 341 . 1 1 42 42 LYS HB2 H 1 2.12 0.015 . 1 . . . . . . . . 4729 1 342 . 1 1 42 42 LYS HB3 H 1 2.12 0.015 . 1 . . . . . . . . 4729 1 343 . 1 1 42 42 LYS HG2 H 1 1.38 0.015 . 1 . . . . . . . . 4729 1 344 . 1 1 42 42 LYS HG3 H 1 1.38 0.015 . 1 . . . . . . . . 4729 1 345 . 1 1 42 42 LYS HD2 H 1 1.74 0.015 . 1 . . . . . . . . 4729 1 346 . 1 1 42 42 LYS HD3 H 1 1.74 0.015 . 1 . . . . . . . . 4729 1 347 . 1 1 42 42 LYS HE2 H 1 3.09 0.015 . 1 . . . . . . . . 4729 1 348 . 1 1 42 42 LYS HE3 H 1 3.09 0.015 . 1 . . . . . . . . 4729 1 349 . 1 1 42 42 LYS N N 15 121.65 0.015 . 1 . . . . . . . . 4729 1 350 . 1 1 42 42 LYS C C 13 174.84 0.015 . 1 . . . . . . . . 4729 1 351 . 1 1 43 43 SER CA C 13 56.73 0.015 . 1 . . . . . . . . 4729 1 352 . 1 1 43 43 SER CB C 13 66.84 0.015 . 1 . . . . . . . . 4729 1 353 . 1 1 43 43 SER H H 1 7.20 0.015 . 1 . . . . . . . . 4729 1 354 . 1 1 43 43 SER HA H 1 4.90 0.015 . 1 . . . . . . . . 4729 1 355 . 1 1 43 43 SER HB2 H 1 3.71 0.015 . 1 . . . . . . . . 4729 1 356 . 1 1 43 43 SER HB3 H 1 3.71 0.015 . 1 . . . . . . . . 4729 1 357 . 1 1 43 43 SER N N 15 109.47 0.015 . 1 . . . . . . . . 4729 1 358 . 1 1 43 43 SER C C 13 172.78 0.015 . 1 . . . . . . . . 4729 1 359 . 1 1 44 44 CYS CA C 13 55.24 0.015 . 1 . . . . . . . . 4729 1 360 . 1 1 44 44 CYS CB C 13 41.38 0.015 . 1 . . . . . . . . 4729 1 361 . 1 1 44 44 CYS H H 1 8.63 0.015 . 1 . . . . . . . . 4729 1 362 . 1 1 44 44 CYS HA H 1 5.16 0.015 . 1 . . . . . . . . 4729 1 363 . 1 1 44 44 CYS HB2 H 1 2.76 0.015 . 1 . . . . . . . . 4729 1 364 . 1 1 44 44 CYS HB3 H 1 2.76 0.015 . 1 . . . . . . . . 4729 1 365 . 1 1 44 44 CYS N N 15 118.70 0.015 . 1 . . . . . . . . 4729 1 366 . 1 1 44 44 CYS C C 13 174.30 0.015 . 1 . . . . . . . . 4729 1 367 . 1 1 45 45 GLU CA C 13 54.56 0.015 . 1 . . . . . . . . 4729 1 368 . 1 1 45 45 GLU CB C 13 33.20 0.015 . 1 . . . . . . . . 4729 1 369 . 1 1 45 45 GLU H H 1 9.16 0.015 . 1 . . . . . . . . 4729 1 370 . 1 1 45 45 GLU HA H 1 4.88 0.015 . 1 . . . . . . . . 4729 1 371 . 1 1 45 45 GLU HB2 H 1 1.96 0.015 . 2 . . . . . . . . 4729 1 372 . 1 1 45 45 GLU HB3 H 1 2.11 0.015 . 2 . . . . . . . . 4729 1 373 . 1 1 45 45 GLU HG2 H 1 2.25 0.015 . 1 . . . . . . . . 4729 1 374 . 1 1 45 45 GLU HG3 H 1 2.25 0.015 . 1 . . . . . . . . 4729 1 375 . 1 1 45 45 GLU N N 15 124.19 0.015 . 1 . . . . . . . . 4729 1 376 . 1 1 45 45 GLU C C 13 175.71 0.015 . 1 . . . . . . . . 4729 1 377 . 1 1 46 46 ASP CA C 13 55.82 0.015 . 1 . . . . . . . . 4729 1 378 . 1 1 46 46 ASP CB C 13 43.23 0.015 . 1 . . . . . . . . 4729 1 379 . 1 1 46 46 ASP H H 1 9.05 0.015 . 1 . . . . . . . . 4729 1 380 . 1 1 46 46 ASP HA H 1 3.98 0.015 . 1 . . . . . . . . 4729 1 381 . 1 1 46 46 ASP HB2 H 1 2.28 0.015 . 2 . . . . . . . . 4729 1 382 . 1 1 46 46 ASP HB3 H 1 2.39 0.015 . 2 . . . . . . . . 4729 1 383 . 1 1 46 46 ASP N N 15 122.87 0.015 . 1 . . . . . . . . 4729 1 384 . 1 1 46 46 ASP C C 13 176.18 0.015 . 1 . . . . . . . . 4729 1 385 . 1 1 47 47 ILE CA C 13 61.93 0.015 . 1 . . . . . . . . 4729 1 386 . 1 1 47 47 ILE CB C 13 40.22 0.015 . 1 . . . . . . . . 4729 1 387 . 1 1 47 47 ILE H H 1 7.70 0.015 . 1 . . . . . . . . 4729 1 388 . 1 1 47 47 ILE HA H 1 3.63 0.015 . 1 . . . . . . . . 4729 1 389 . 1 1 47 47 ILE HG12 H 1 1.31 0.015 . 1 . . . . . . . . 4729 1 390 . 1 1 47 47 ILE HG13 H 1 1.31 0.015 . 1 . . . . . . . . 4729 1 391 . 1 1 47 47 ILE HG21 H 1 0.62 0.015 . 1 . . . . . . . . 4729 1 392 . 1 1 47 47 ILE HG22 H 1 0.62 0.015 . 1 . . . . . . . . 4729 1 393 . 1 1 47 47 ILE HG23 H 1 0.62 0.015 . 1 . . . . . . . . 4729 1 394 . 1 1 47 47 ILE HD11 H 1 0.49 0.015 . 1 . . . . . . . . 4729 1 395 . 1 1 47 47 ILE HD12 H 1 0.49 0.015 . 1 . . . . . . . . 4729 1 396 . 1 1 47 47 ILE HD13 H 1 0.49 0.015 . 1 . . . . . . . . 4729 1 397 . 1 1 47 47 ILE N N 15 128.00 0.015 . 1 . . . . . . . . 4729 1 398 . 1 1 47 47 ILE C C 13 174.26 0.015 . 1 . . . . . . . . 4729 1 399 . 1 1 48 48 ASP CA C 13 51.14 0.015 . 1 . . . . . . . . 4729 1 400 . 1 1 48 48 ASP CB C 13 39.20 0.015 . 1 . . . . . . . . 4729 1 401 . 1 1 48 48 ASP H H 1 8.95 0.015 . 1 . . . . . . . . 4729 1 402 . 1 1 48 48 ASP HA H 1 4.81 0.015 . 1 . . . . . . . . 4729 1 403 . 1 1 48 48 ASP HB2 H 1 2.88 0.015 . 1 . . . . . . . . 4729 1 404 . 1 1 48 48 ASP HB3 H 1 2.88 0.015 . 1 . . . . . . . . 4729 1 405 . 1 1 48 48 ASP N N 15 127.77 0.015 . 1 . . . . . . . . 4729 1 406 . 1 1 48 48 ASP C C 13 176.68 0.015 . 1 . . . . . . . . 4729 1 407 . 1 1 49 49 GLU CA C 13 61.88 0.015 . 1 . . . . . . . . 4729 1 408 . 1 1 49 49 GLU CB C 13 27.48 0.015 . 1 . . . . . . . . 4729 1 409 . 1 1 49 49 GLU H H 1 9.20 0.015 . 1 . . . . . . . . 4729 1 410 . 1 1 49 49 GLU HA H 1 3.32 0.015 . 1 . . . . . . . . 4729 1 411 . 1 1 49 49 GLU N N 15 125.99 0.015 . 1 . . . . . . . . 4729 1 412 . 1 1 49 49 GLU C C 13 178.36 0.015 . 1 . . . . . . . . 4729 1 413 . 1 1 50 50 CYS CA C 13 54.12 0.015 . 1 . . . . . . . . 4729 1 414 . 1 1 50 50 CYS CB C 13 33.77 0.015 . 1 . . . . . . . . 4729 1 415 . 1 1 50 50 CYS H H 1 7.72 0.015 . 1 . . . . . . . . 4729 1 416 . 1 1 50 50 CYS HA H 1 4.55 0.015 . 1 . . . . . . . . 4729 1 417 . 1 1 50 50 CYS HB2 H 1 3.29 0.015 . 1 . . . . . . . . 4729 1 418 . 1 1 50 50 CYS HB3 H 1 3.29 0.015 . 1 . . . . . . . . 4729 1 419 . 1 1 50 50 CYS N N 15 114.24 0.015 . 1 . . . . . . . . 4729 1 420 . 1 1 50 50 CYS C C 13 179.11 0.015 . 1 . . . . . . . . 4729 1 421 . 1 1 51 51 SER CA C 13 60.47 0.015 . 1 . . . . . . . . 4729 1 422 . 1 1 51 51 SER CB C 13 63.66 0.015 . 1 . . . . . . . . 4729 1 423 . 1 1 51 51 SER H H 1 7.53 0.015 . 1 . . . . . . . . 4729 1 424 . 1 1 51 51 SER HA H 1 4.37 0.015 . 1 . . . . . . . . 4729 1 425 . 1 1 51 51 SER HB2 H 1 3.88 0.015 . 1 . . . . . . . . 4729 1 426 . 1 1 51 51 SER HB3 H 1 3.88 0.015 . 1 . . . . . . . . 4729 1 427 . 1 1 51 51 SER N N 15 117.80 0.015 . 1 . . . . . . . . 4729 1 428 . 1 1 51 51 SER C C 13 174.34 0.015 . 1 . . . . . . . . 4729 1 429 . 1 1 52 52 GLU CA C 13 55.87 0.015 . 1 . . . . . . . . 4729 1 430 . 1 1 52 52 GLU CB C 13 29.24 0.015 . 1 . . . . . . . . 4729 1 431 . 1 1 52 52 GLU H H 1 7.05 0.015 . 1 . . . . . . . . 4729 1 432 . 1 1 52 52 GLU HA H 1 4.35 0.015 . 1 . . . . . . . . 4729 1 433 . 1 1 52 52 GLU HB2 H 1 1.56 0.015 . 2 . . . . . . . . 4729 1 434 . 1 1 52 52 GLU HB3 H 1 2.00 0.015 . 2 . . . . . . . . 4729 1 435 . 1 1 52 52 GLU N N 15 118.96 0.015 . 1 . . . . . . . . 4729 1 436 . 1 1 52 52 GLU C C 13 175.35 0.015 . 1 . . . . . . . . 4729 1 437 . 1 1 53 53 ASN CA C 13 54.71 0.015 . 1 . . . . . . . . 4729 1 438 . 1 1 53 53 ASN CB C 13 37.02 0.015 . 1 . . . . . . . . 4729 1 439 . 1 1 53 53 ASN H H 1 7.86 0.015 . 1 . . . . . . . . 4729 1 440 . 1 1 53 53 ASN HA H 1 4.54 0.015 . 1 . . . . . . . . 4729 1 441 . 1 1 53 53 ASN HB2 H 1 2.72 0.015 . 2 . . . . . . . . 4729 1 442 . 1 1 53 53 ASN HB3 H 1 2.98 0.015 . 2 . . . . . . . . 4729 1 443 . 1 1 53 53 ASN HD21 H 1 6.70 0.015 . 2 . . . . . . . . 4729 1 444 . 1 1 53 53 ASN HD22 H 1 7.43 0.015 . 2 . . . . . . . . 4729 1 445 . 1 1 53 53 ASN N N 15 114.18 0.015 . 1 . . . . . . . . 4729 1 446 . 1 1 53 53 ASN ND2 N 15 112.31 0.015 . 1 . . . . . . . . 4729 1 447 . 1 1 53 53 ASN C C 13 175.09 0.015 . 1 . . . . . . . . 4729 1 448 . 1 1 54 54 MET CA C 13 57.07 0.015 . 1 . . . . . . . . 4729 1 449 . 1 1 54 54 MET CB C 13 32.91 0.015 . 1 . . . . . . . . 4729 1 450 . 1 1 54 54 MET H H 1 7.29 0.015 . 1 . . . . . . . . 4729 1 451 . 1 1 54 54 MET HA H 1 4.26 0.015 . 1 . . . . . . . . 4729 1 452 . 1 1 54 54 MET HB2 H 1 2.07 0.015 . 2 . . . . . . . . 4729 1 453 . 1 1 54 54 MET HB3 H 1 2.17 0.015 . 2 . . . . . . . . 4729 1 454 . 1 1 54 54 MET HG2 H 1 1.80 0.015 . 1 . . . . . . . . 4729 1 455 . 1 1 54 54 MET HG3 H 1 1.80 0.015 . 1 . . . . . . . . 4729 1 456 . 1 1 54 54 MET HE1 H 1 1.48 0.015 . 1 . . . . . . . . 4729 1 457 . 1 1 54 54 MET HE2 H 1 1.48 0.015 . 1 . . . . . . . . 4729 1 458 . 1 1 54 54 MET HE3 H 1 1.48 0.015 . 1 . . . . . . . . 4729 1 459 . 1 1 54 54 MET N N 15 114.78 0.015 . 1 . . . . . . . . 4729 1 460 . 1 1 54 54 MET C C 13 176.43 0.015 . 1 . . . . . . . . 4729 1 461 . 1 1 55 55 CYS CA C 13 52.26 0.015 . 1 . . . . . . . . 4729 1 462 . 1 1 55 55 CYS CB C 13 38.73 0.015 . 1 . . . . . . . . 4729 1 463 . 1 1 55 55 CYS H H 1 8.00 0.015 . 1 . . . . . . . . 4729 1 464 . 1 1 55 55 CYS HA H 1 4.93 0.015 . 1 . . . . . . . . 4729 1 465 . 1 1 55 55 CYS HB2 H 1 2.33 0.015 . 2 . . . . . . . . 4729 1 466 . 1 1 55 55 CYS HB3 H 1 3.56 0.015 . 2 . . . . . . . . 4729 1 467 . 1 1 55 55 CYS N N 15 115.61 0.015 . 1 . . . . . . . . 4729 1 468 . 1 1 55 55 CYS C C 13 174.90 0.015 . 1 . . . . . . . . 4729 1 469 . 1 1 56 56 ALA H H 1 8.01 0.015 . 1 . . . . . . . . 4729 1 470 . 1 1 56 56 ALA HA H 1 4.12 0.015 . 1 . . . . . . . . 4729 1 471 . 1 1 56 56 ALA HB1 H 1 1.52 0.015 . 1 . . . . . . . . 4729 1 472 . 1 1 56 56 ALA HB2 H 1 1.52 0.015 . 1 . . . . . . . . 4729 1 473 . 1 1 56 56 ALA HB3 H 1 1.52 0.015 . 1 . . . . . . . . 4729 1 474 . 1 1 56 56 ALA N N 15 124.21 0.015 . 1 . . . . . . . . 4729 1 475 . 1 1 56 56 ALA C C 13 178.92 0.015 . 1 . . . . . . . . 4729 1 476 . 1 1 57 57 GLN CA C 13 56.33 0.015 . 1 . . . . . . . . 4729 1 477 . 1 1 57 57 GLN CB C 13 29.66 0.015 . 1 . . . . . . . . 4729 1 478 . 1 1 57 57 GLN H H 1 8.65 0.015 . 1 . . . . . . . . 4729 1 479 . 1 1 57 57 GLN HA H 1 4.50 0.015 . 1 . . . . . . . . 4729 1 480 . 1 1 57 57 GLN HB2 H 1 2.11 0.015 . 1 . . . . . . . . 4729 1 481 . 1 1 57 57 GLN HB3 H 1 2.11 0.015 . 1 . . . . . . . . 4729 1 482 . 1 1 57 57 GLN N N 15 115.91 0.015 . 1 . . . . . . . . 4729 1 483 . 1 1 57 57 GLN C C 13 174.34 0.015 . 1 . . . . . . . . 4729 1 484 . 1 1 58 58 LEU CA C 13 55.11 0.015 . 1 . . . . . . . . 4729 1 485 . 1 1 58 58 LEU CB C 13 43.33 0.015 . 1 . . . . . . . . 4729 1 486 . 1 1 58 58 LEU H H 1 7.34 0.015 . 1 . . . . . . . . 4729 1 487 . 1 1 58 58 LEU HA H 1 4.50 0.015 . 1 . . . . . . . . 4729 1 488 . 1 1 58 58 LEU HB2 H 1 1.44 0.015 . 1 . . . . . . . . 4729 1 489 . 1 1 58 58 LEU HB3 H 1 1.44 0.015 . 1 . . . . . . . . 4729 1 490 . 1 1 58 58 LEU HG H 1 1.30 0.015 . 1 . . . . . . . . 4729 1 491 . 1 1 58 58 LEU HD11 H 1 0.76 0.015 . 2 . . . . . . . . 4729 1 492 . 1 1 58 58 LEU HD12 H 1 0.76 0.015 . 2 . . . . . . . . 4729 1 493 . 1 1 58 58 LEU HD13 H 1 0.76 0.015 . 2 . . . . . . . . 4729 1 494 . 1 1 58 58 LEU HD21 H 1 1.08 0.015 . 2 . . . . . . . . 4729 1 495 . 1 1 58 58 LEU HD22 H 1 1.08 0.015 . 2 . . . . . . . . 4729 1 496 . 1 1 58 58 LEU HD23 H 1 1.08 0.015 . 2 . . . . . . . . 4729 1 497 . 1 1 58 58 LEU N N 15 122.28 0.015 . 1 . . . . . . . . 4729 1 498 . 1 1 58 58 LEU C C 13 174.92 0.015 . 1 . . . . . . . . 4729 1 499 . 1 1 59 59 CYS CA C 13 55.84 0.015 . 1 . . . . . . . . 4729 1 500 . 1 1 59 59 CYS CB C 13 41.77 0.015 . 1 . . . . . . . . 4729 1 501 . 1 1 59 59 CYS H H 1 8.19 0.015 . 1 . . . . . . . . 4729 1 502 . 1 1 59 59 CYS HA H 1 5.63 0.015 . 1 . . . . . . . . 4729 1 503 . 1 1 59 59 CYS HB2 H 1 2.81 0.015 . 1 . . . . . . . . 4729 1 504 . 1 1 59 59 CYS HB3 H 1 2.81 0.015 . 1 . . . . . . . . 4729 1 505 . 1 1 59 59 CYS N N 15 121.07 0.015 . 1 . . . . . . . . 4729 1 506 . 1 1 59 59 CYS C C 13 173.59 0.015 . 1 . . . . . . . . 4729 1 507 . 1 1 60 60 VAL CA C 13 62.41 0.015 . 1 . . . . . . . . 4729 1 508 . 1 1 60 60 VAL CB C 13 35.45 0.015 . 1 . . . . . . . . 4729 1 509 . 1 1 60 60 VAL H H 1 9.49 0.015 . 1 . . . . . . . . 4729 1 510 . 1 1 60 60 VAL HA H 1 4.48 0.015 . 1 . . . . . . . . 4729 1 511 . 1 1 60 60 VAL HB H 1 2.22 0.015 . 1 . . . . . . . . 4729 1 512 . 1 1 60 60 VAL HG11 H 1 1.07 0.015 . 1 . . . . . . . . 4729 1 513 . 1 1 60 60 VAL HG12 H 1 1.07 0.015 . 1 . . . . . . . . 4729 1 514 . 1 1 60 60 VAL HG13 H 1 1.07 0.015 . 1 . . . . . . . . 4729 1 515 . 1 1 60 60 VAL HG21 H 1 1.07 0.015 . 1 . . . . . . . . 4729 1 516 . 1 1 60 60 VAL HG22 H 1 1.07 0.015 . 1 . . . . . . . . 4729 1 517 . 1 1 60 60 VAL HG23 H 1 1.07 0.015 . 1 . . . . . . . . 4729 1 518 . 1 1 60 60 VAL N N 15 130.13 0.015 . 1 . . . . . . . . 4729 1 519 . 1 1 60 60 VAL C C 13 173.92 0.015 . 1 . . . . . . . . 4729 1 520 . 1 1 61 61 ASN CA C 13 53.23 0.015 . 1 . . . . . . . . 4729 1 521 . 1 1 61 61 ASN CB C 13 41.72 0.015 . 1 . . . . . . . . 4729 1 522 . 1 1 61 61 ASN H H 1 9.00 0.015 . 1 . . . . . . . . 4729 1 523 . 1 1 61 61 ASN HA H 1 5.07 0.015 . 1 . . . . . . . . 4729 1 524 . 1 1 61 61 ASN HB2 H 1 2.66 0.015 . 1 . . . . . . . . 4729 1 525 . 1 1 61 61 ASN HB3 H 1 2.66 0.015 . 1 . . . . . . . . 4729 1 526 . 1 1 61 61 ASN N N 15 125.26 0.015 . 1 . . . . . . . . 4729 1 527 . 1 1 61 61 ASN C C 13 173.78 0.015 . 1 . . . . . . . . 4729 1 528 . 1 1 62 62 TYR CA C 13 56.24 0.015 . 1 . . . . . . . . 4729 1 529 . 1 1 62 62 TYR CB C 13 37.74 0.015 . 1 . . . . . . . . 4729 1 530 . 1 1 62 62 TYR H H 1 7.37 0.015 . 1 . . . . . . . . 4729 1 531 . 1 1 62 62 TYR HB2 H 1 2.96 0.015 . 1 . . . . . . . . 4729 1 532 . 1 1 62 62 TYR HB3 H 1 2.96 0.015 . 1 . . . . . . . . 4729 1 533 . 1 1 62 62 TYR HD1 H 1 6.67 0.015 . 1 . . . . . . . . 4729 1 534 . 1 1 62 62 TYR HD2 H 1 6.67 0.015 . 1 . . . . . . . . 4729 1 535 . 1 1 62 62 TYR N N 15 120.89 0.015 . 1 . . . . . . . . 4729 1 536 . 1 1 63 63 PRO CA C 13 64.16 0.015 . 1 . . . . . . . . 4729 1 537 . 1 1 63 63 PRO CB C 13 31.46 0.015 . 1 . . . . . . . . 4729 1 538 . 1 1 63 63 PRO HA H 1 4.15 0.015 . 1 . . . . . . . . 4729 1 539 . 1 1 63 63 PRO HD2 H 1 3.78 0.015 . 1 . . . . . . . . 4729 1 540 . 1 1 63 63 PRO HD3 H 1 3.78 0.015 . 1 . . . . . . . . 4729 1 541 . 1 1 63 63 PRO C C 13 176.85 0.015 . 1 . . . . . . . . 4729 1 542 . 1 1 64 64 GLY CA C 13 47.02 0.015 . 1 . . . . . . . . 4729 1 543 . 1 1 64 64 GLY H H 1 8.57 0.015 . 1 . . . . . . . . 4729 1 544 . 1 1 64 64 GLY HA2 H 1 3.27 0.015 . 2 . . . . . . . . 4729 1 545 . 1 1 64 64 GLY HA3 H 1 4.39 0.015 . 2 . . . . . . . . 4729 1 546 . 1 1 64 64 GLY N N 15 116.11 0.015 . 1 . . . . . . . . 4729 1 547 . 1 1 64 64 GLY C C 13 174.38 0.015 . 1 . . . . . . . . 4729 1 548 . 1 1 65 65 GLY CA C 13 46.30 0.015 . 1 . . . . . . . . 4729 1 549 . 1 1 65 65 GLY H H 1 6.75 0.015 . 1 . . . . . . . . 4729 1 550 . 1 1 65 65 GLY HA2 H 1 3.61 0.015 . 2 . . . . . . . . 4729 1 551 . 1 1 65 65 GLY HA3 H 1 4.20 0.015 . 2 . . . . . . . . 4729 1 552 . 1 1 65 65 GLY N N 15 108.41 0.015 . 1 . . . . . . . . 4729 1 553 . 1 1 65 65 GLY C C 13 173.53 0.015 . 1 . . . . . . . . 4729 1 554 . 1 1 66 66 TYR CA C 13 57.50 0.015 . 1 . . . . . . . . 4729 1 555 . 1 1 66 66 TYR CB C 13 38.37 0.015 . 1 . . . . . . . . 4729 1 556 . 1 1 66 66 TYR H H 1 7.50 0.015 . 1 . . . . . . . . 4729 1 557 . 1 1 66 66 TYR HA H 1 4.75 0.015 . 1 . . . . . . . . 4729 1 558 . 1 1 66 66 TYR HB2 H 1 3.78 0.015 . 1 . . . . . . . . 4729 1 559 . 1 1 66 66 TYR HB3 H 1 3.78 0.015 . 1 . . . . . . . . 4729 1 560 . 1 1 66 66 TYR HD1 H 1 6.66 0.015 . 1 . . . . . . . . 4729 1 561 . 1 1 66 66 TYR HD2 H 1 6.66 0.015 . 1 . . . . . . . . 4729 1 562 . 1 1 66 66 TYR N N 15 118.36 0.015 . 1 . . . . . . . . 4729 1 563 . 1 1 66 66 TYR C C 13 173.18 0.015 . 1 . . . . . . . . 4729 1 564 . 1 1 67 67 THR CA C 13 62.68 0.015 . 1 . . . . . . . . 4729 1 565 . 1 1 67 67 THR CB C 13 72.75 0.015 . 1 . . . . . . . . 4729 1 566 . 1 1 67 67 THR H H 1 9.22 0.015 . 1 . . . . . . . . 4729 1 567 . 1 1 67 67 THR HA H 1 4.29 0.015 . 1 . . . . . . . . 4729 1 568 . 1 1 67 67 THR HB H 1 3.86 0.015 . 1 . . . . . . . . 4729 1 569 . 1 1 67 67 THR HG21 H 1 1.03 0.015 . 1 . . . . . . . . 4729 1 570 . 1 1 67 67 THR HG22 H 1 1.03 0.015 . 1 . . . . . . . . 4729 1 571 . 1 1 67 67 THR HG23 H 1 1.03 0.015 . 1 . . . . . . . . 4729 1 572 . 1 1 67 67 THR N N 15 116.54 0.015 . 1 . . . . . . . . 4729 1 573 . 1 1 67 67 THR C C 13 172.60 0.015 . 1 . . . . . . . . 4729 1 574 . 1 1 68 68 CYS CA C 13 51.90 0.015 . 1 . . . . . . . . 4729 1 575 . 1 1 68 68 CYS CB C 13 37.44 0.015 . 1 . . . . . . . . 4729 1 576 . 1 1 68 68 CYS H H 1 8.71 0.015 . 1 . . . . . . . . 4729 1 577 . 1 1 68 68 CYS HA H 1 5.78 0.015 . 1 . . . . . . . . 4729 1 578 . 1 1 68 68 CYS HB2 H 1 2.85 0.015 . 2 . . . . . . . . 4729 1 579 . 1 1 68 68 CYS HB3 H 1 3.63 0.015 . 2 . . . . . . . . 4729 1 580 . 1 1 68 68 CYS N N 15 123.56 0.015 . 1 . . . . . . . . 4729 1 581 . 1 1 68 68 CYS C C 13 173.84 0.015 . 1 . . . . . . . . 4729 1 582 . 1 1 69 69 TYR CA C 13 57.32 0.015 . 4 . . . . . . . . 4729 1 583 . 1 1 69 69 TYR H H 1 8.60 0.015 . 4 . . . . . . . . 4729 1 584 . 1 1 69 69 TYR HA H 1 4.80 0.015 . 4 . . . . . . . . 4729 1 585 . 1 1 69 69 TYR HB2 H 1 2.79 0.015 . 4 . . . . . . . . 4729 1 586 . 1 1 69 69 TYR HB3 H 1 3.14 0.015 . 4 . . . . . . . . 4729 1 587 . 1 1 69 69 TYR HD1 H 1 6.99 0.015 . 4 . . . . . . . . 4729 1 588 . 1 1 69 69 TYR HD2 H 1 6.99 0.015 . 4 . . . . . . . . 4729 1 589 . 1 1 69 69 TYR N N 15 116.14 0.015 . 4 . . . . . . . . 4729 1 590 . 1 1 69 69 TYR C C 13 175.17 0.015 . 4 . . . . . . . . 4729 1 591 . 1 1 70 70 CYS CA C 13 54.40 0.015 . 4 . . . . . . . . 4729 1 592 . 1 1 70 70 CYS CB C 13 45.19 0.015 . 4 . . . . . . . . 4729 1 593 . 1 1 70 70 CYS H H 1 8.92 0.015 . 4 . . . . . . . . 4729 1 594 . 1 1 70 70 CYS HA H 1 4.98 0.015 . 4 . . . . . . . . 4729 1 595 . 1 1 70 70 CYS HB2 H 1 2.55 0.015 . 4 . . . . . . . . 4729 1 596 . 1 1 70 70 CYS HB3 H 1 2.55 0.015 . 4 . . . . . . . . 4729 1 597 . 1 1 70 70 CYS N N 15 119.19 0.015 . 4 . . . . . . . . 4729 1 598 . 1 1 70 70 CYS C C 13 173.47 0.015 . 4 . . . . . . . . 4729 1 599 . 1 1 71 71 ASP CA C 13 54.07 0.015 . 1 . . . . . . . . 4729 1 600 . 1 1 71 71 ASP H H 1 8.64 0.015 . 1 . . . . . . . . 4729 1 601 . 1 1 71 71 ASP HA H 1 4.67 0.015 . 1 . . . . . . . . 4729 1 602 . 1 1 71 71 ASP HB2 H 1 2.45 0.015 . 2 . . . . . . . . 4729 1 603 . 1 1 71 71 ASP HB3 H 1 3.04 0.015 . 2 . . . . . . . . 4729 1 604 . 1 1 71 71 ASP N N 15 119.70 0.015 . 1 . . . . . . . . 4729 1 605 . 1 1 71 71 ASP C C 13 177.07 0.015 . 1 . . . . . . . . 4729 1 606 . 1 1 72 72 GLY CA C 13 47.31 0.015 . 1 . . . . . . . . 4729 1 607 . 1 1 72 72 GLY H H 1 8.63 0.015 . 1 . . . . . . . . 4729 1 608 . 1 1 72 72 GLY HA2 H 1 4.28 0.015 . 1 . . . . . . . . 4729 1 609 . 1 1 72 72 GLY HA3 H 1 4.28 0.015 . 1 . . . . . . . . 4729 1 610 . 1 1 72 72 GLY N N 15 116.20 0.015 . 1 . . . . . . . . 4729 1 611 . 1 1 72 72 GLY C C 13 177.70 0.015 . 1 . . . . . . . . 4729 1 612 . 1 1 73 73 LYS CA C 13 58.70 0.015 . 4 . . . . . . . . 4729 1 613 . 1 1 73 73 LYS CB C 13 31.99 0.015 . 4 . . . . . . . . 4729 1 614 . 1 1 73 73 LYS H H 1 8.38 0.015 . 4 . . . . . . . . 4729 1 615 . 1 1 73 73 LYS HA H 1 4.24 0.015 . 4 . . . . . . . . 4729 1 616 . 1 1 73 73 LYS HB2 H 1 2.09 0.015 . 4 . . . . . . . . 4729 1 617 . 1 1 73 73 LYS HB3 H 1 2.09 0.015 . 4 . . . . . . . . 4729 1 618 . 1 1 73 73 LYS HG2 H 1 1.53 0.015 . 4 . . . . . . . . 4729 1 619 . 1 1 73 73 LYS HG3 H 1 1.53 0.015 . 4 . . . . . . . . 4729 1 620 . 1 1 73 73 LYS HD2 H 1 1.93 0.015 . 4 . . . . . . . . 4729 1 621 . 1 1 73 73 LYS HD3 H 1 1.93 0.015 . 4 . . . . . . . . 4729 1 622 . 1 1 73 73 LYS N N 15 121.73 0.015 . 4 . . . . . . . . 4729 1 623 . 1 1 73 73 LYS C C 13 178.38 0.015 . 4 . . . . . . . . 4729 1 624 . 1 1 74 74 LYS CA C 13 55.94 0.015 . 4 . . . . . . . . 4729 1 625 . 1 1 74 74 LYS H H 1 7.33 0.015 . 4 . . . . . . . . 4729 1 626 . 1 1 74 74 LYS HA H 1 4.43 0.015 . 4 . . . . . . . . 4729 1 627 . 1 1 74 74 LYS HB2 H 1 2.29 0.015 . 4 . . . . . . . . 4729 1 628 . 1 1 74 74 LYS HB3 H 1 2.29 0.015 . 4 . . . . . . . . 4729 1 629 . 1 1 74 74 LYS HG2 H 1 1.37 0.015 . 4 . . . . . . . . 4729 1 630 . 1 1 74 74 LYS HG3 H 1 1.37 0.015 . 4 . . . . . . . . 4729 1 631 . 1 1 74 74 LYS HD2 H 1 1.79 0.015 . 4 . . . . . . . . 4729 1 632 . 1 1 74 74 LYS HD3 H 1 1.79 0.015 . 4 . . . . . . . . 4729 1 633 . 1 1 74 74 LYS N N 15 117.00 0.015 . 4 . . . . . . . . 4729 1 634 . 1 1 74 74 LYS C C 13 175.85 0.015 . 4 . . . . . . . . 4729 1 635 . 1 1 75 75 GLY CA C 13 46.08 0.015 . 1 . . . . . . . . 4729 1 636 . 1 1 75 75 GLY H H 1 7.63 0.015 . 1 . . . . . . . . 4729 1 637 . 1 1 75 75 GLY HA2 H 1 3.68 0.015 . 2 . . . . . . . . 4729 1 638 . 1 1 75 75 GLY HA3 H 1 4.00 0.015 . 2 . . . . . . . . 4729 1 639 . 1 1 75 75 GLY N N 15 105.23 0.015 . 1 . . . . . . . . 4729 1 640 . 1 1 75 75 GLY C C 13 173.51 0.015 . 1 . . . . . . . . 4729 1 641 . 1 1 76 76 PHE CA C 13 57.37 0.015 . 1 . . . . . . . . 4729 1 642 . 1 1 76 76 PHE CB C 13 43.44 0.015 . 1 . . . . . . . . 4729 1 643 . 1 1 76 76 PHE H H 1 7.45 0.015 . 1 . . . . . . . . 4729 1 644 . 1 1 76 76 PHE HA H 1 5.31 0.015 . 1 . . . . . . . . 4729 1 645 . 1 1 76 76 PHE HB2 H 1 2.77 0.015 . 1 . . . . . . . . 4729 1 646 . 1 1 76 76 PHE HB3 H 1 2.77 0.015 . 1 . . . . . . . . 4729 1 647 . 1 1 76 76 PHE HD1 H 1 7.08 0.015 . 1 . . . . . . . . 4729 1 648 . 1 1 76 76 PHE HD2 H 1 7.08 0.015 . 1 . . . . . . . . 4729 1 649 . 1 1 76 76 PHE N N 15 116.08 0.015 . 1 . . . . . . . . 4729 1 650 . 1 1 76 76 PHE C C 13 175.29 0.015 . 1 . . . . . . . . 4729 1 651 . 1 1 77 77 LYS CA C 13 54.69 0.015 . 1 . . . . . . . . 4729 1 652 . 1 1 77 77 LYS H H 1 9.26 0.015 . 1 . . . . . . . . 4729 1 653 . 1 1 77 77 LYS HA H 1 4.60 0.015 . 1 . . . . . . . . 4729 1 654 . 1 1 77 77 LYS HB2 H 1 1.69 0.015 . 2 . . . . . . . . 4729 1 655 . 1 1 77 77 LYS HB3 H 1 1.79 0.015 . 2 . . . . . . . . 4729 1 656 . 1 1 77 77 LYS HG2 H 1 0.81 0.015 . 1 . . . . . . . . 4729 1 657 . 1 1 77 77 LYS HG3 H 1 0.81 0.015 . 1 . . . . . . . . 4729 1 658 . 1 1 77 77 LYS HD2 H 1 1.33 0.015 . 1 . . . . . . . . 4729 1 659 . 1 1 77 77 LYS HD3 H 1 1.33 0.015 . 1 . . . . . . . . 4729 1 660 . 1 1 77 77 LYS N N 15 118.90 0.015 . 1 . . . . . . . . 4729 1 661 . 1 1 77 77 LYS C C 13 174.42 0.015 . 1 . . . . . . . . 4729 1 662 . 1 1 78 78 LEU CA C 13 56.47 0.015 . 1 . . . . . . . . 4729 1 663 . 1 1 78 78 LEU CB C 13 43.62 0.015 . 1 . . . . . . . . 4729 1 664 . 1 1 78 78 LEU H H 1 8.45 0.015 . 1 . . . . . . . . 4729 1 665 . 1 1 78 78 LEU HA H 1 4.71 0.015 . 1 . . . . . . . . 4729 1 666 . 1 1 78 78 LEU HB2 H 1 1.76 0.015 . 1 . . . . . . . . 4729 1 667 . 1 1 78 78 LEU HB3 H 1 1.76 0.015 . 1 . . . . . . . . 4729 1 668 . 1 1 78 78 LEU HG H 1 1.32 0.015 . 1 . . . . . . . . 4729 1 669 . 1 1 78 78 LEU HD11 H 1 0.71 0.015 . 2 . . . . . . . . 4729 1 670 . 1 1 78 78 LEU HD12 H 1 0.71 0.015 . 2 . . . . . . . . 4729 1 671 . 1 1 78 78 LEU HD13 H 1 0.71 0.015 . 2 . . . . . . . . 4729 1 672 . 1 1 78 78 LEU HD21 H 1 0.76 0.015 . 2 . . . . . . . . 4729 1 673 . 1 1 78 78 LEU HD22 H 1 0.76 0.015 . 2 . . . . . . . . 4729 1 674 . 1 1 78 78 LEU HD23 H 1 0.76 0.015 . 2 . . . . . . . . 4729 1 675 . 1 1 78 78 LEU N N 15 125.33 0.015 . 1 . . . . . . . . 4729 1 676 . 1 1 78 78 LEU C C 13 177.14 0.015 . 1 . . . . . . . . 4729 1 677 . 1 1 79 79 ALA CA C 13 51.81 0.015 . 1 . . . . . . . . 4729 1 678 . 1 1 79 79 ALA CB C 13 21.12 0.015 . 1 . . . . . . . . 4729 1 679 . 1 1 79 79 ALA H H 1 8.55 0.015 . 1 . . . . . . . . 4729 1 680 . 1 1 79 79 ALA HA H 1 4.39 0.015 . 1 . . . . . . . . 4729 1 681 . 1 1 79 79 ALA HB1 H 1 1.45 0.015 . 1 . . . . . . . . 4729 1 682 . 1 1 79 79 ALA HB2 H 1 1.45 0.015 . 1 . . . . . . . . 4729 1 683 . 1 1 79 79 ALA HB3 H 1 1.45 0.015 . 1 . . . . . . . . 4729 1 684 . 1 1 79 79 ALA N N 15 128.38 0.015 . 1 . . . . . . . . 4729 1 685 . 1 1 79 79 ALA C C 13 178.61 0.015 . 1 . . . . . . . . 4729 1 686 . 1 1 80 80 GLN CA C 13 58.77 0.015 . 1 . . . . . . . . 4729 1 687 . 1 1 80 80 GLN CB C 13 28.79 0.015 . 1 . . . . . . . . 4729 1 688 . 1 1 80 80 GLN H H 1 8.71 0.015 . 1 . . . . . . . . 4729 1 689 . 1 1 80 80 GLN HA H 1 4.04 0.015 . 1 . . . . . . . . 4729 1 690 . 1 1 80 80 GLN HB2 H 1 2.38 0.015 . 2 . . . . . . . . 4729 1 691 . 1 1 80 80 GLN HB3 H 1 2.46 0.015 . 2 . . . . . . . . 4729 1 692 . 1 1 80 80 GLN HG2 H 1 2.12 0.015 . 1 . . . . . . . . 4729 1 693 . 1 1 80 80 GLN HG3 H 1 2.12 0.015 . 1 . . . . . . . . 4729 1 694 . 1 1 80 80 GLN N N 15 119.40 0.015 . 1 . . . . . . . . 4729 1 695 . 1 1 80 80 GLN C C 13 176.60 0.015 . 1 . . . . . . . . 4729 1 696 . 1 1 81 81 ASP CA C 13 54.59 0.015 . 1 . . . . . . . . 4729 1 697 . 1 1 81 81 ASP CB C 13 40.22 0.015 . 1 . . . . . . . . 4729 1 698 . 1 1 81 81 ASP H H 1 7.62 0.015 . 1 . . . . . . . . 4729 1 699 . 1 1 81 81 ASP HA H 1 4.37 0.015 . 1 . . . . . . . . 4729 1 700 . 1 1 81 81 ASP HB2 H 1 2.68 0.015 . 2 . . . . . . . . 4729 1 701 . 1 1 81 81 ASP HB3 H 1 3.04 0.015 . 2 . . . . . . . . 4729 1 702 . 1 1 81 81 ASP N N 15 116.32 0.015 . 1 . . . . . . . . 4729 1 703 . 1 1 81 81 ASP C C 13 176.31 0.015 . 1 . . . . . . . . 4729 1 704 . 1 1 82 82 GLN CA C 13 57.67 0.015 . 1 . . . . . . . . 4729 1 705 . 1 1 82 82 GLN H H 1 8.24 0.015 . 1 . . . . . . . . 4729 1 706 . 1 1 82 82 GLN HA H 1 3.72 0.015 . 1 . . . . . . . . 4729 1 707 . 1 1 82 82 GLN HB2 H 1 2.28 0.015 . 2 . . . . . . . . 4729 1 708 . 1 1 82 82 GLN HB3 H 1 2.41 0.015 . 2 . . . . . . . . 4729 1 709 . 1 1 82 82 GLN HG2 H 1 1.79 0.015 . 1 . . . . . . . . 4729 1 710 . 1 1 82 82 GLN HG3 H 1 1.79 0.015 . 1 . . . . . . . . 4729 1 711 . 1 1 82 82 GLN N N 15 111.65 0.015 . 1 . . . . . . . . 4729 1 712 . 1 1 82 82 GLN C C 13 174.63 0.015 . 1 . . . . . . . . 4729 1 713 . 1 1 83 83 LYS CA C 13 58.32 0.015 . 1 . . . . . . . . 4729 1 714 . 1 1 83 83 LYS CB C 13 37.13 0.015 . 1 . . . . . . . . 4729 1 715 . 1 1 83 83 LYS H H 1 8.47 0.015 . 1 . . . . . . . . 4729 1 716 . 1 1 83 83 LYS HA H 1 4.76 0.015 . 1 . . . . . . . . 4729 1 717 . 1 1 83 83 LYS HB2 H 1 2.02 0.015 . 1 . . . . . . . . 4729 1 718 . 1 1 83 83 LYS HB3 H 1 2.02 0.015 . 1 . . . . . . . . 4729 1 719 . 1 1 83 83 LYS HG2 H 1 1.41 0.015 . 1 . . . . . . . . 4729 1 720 . 1 1 83 83 LYS HG3 H 1 1.41 0.015 . 1 . . . . . . . . 4729 1 721 . 1 1 83 83 LYS HD2 H 1 1.59 0.015 . 1 . . . . . . . . 4729 1 722 . 1 1 83 83 LYS HD3 H 1 1.59 0.015 . 1 . . . . . . . . 4729 1 723 . 1 1 83 83 LYS N N 15 117.81 0.015 . 1 . . . . . . . . 4729 1 724 . 1 1 84 84 SER CA C 13 58.81 0.015 . 1 . . . . . . . . 4729 1 725 . 1 1 84 84 SER H H 1 9.69 0.015 . 1 . . . . . . . . 4729 1 726 . 1 1 84 84 SER HA H 1 4.49 0.015 . 1 . . . . . . . . 4729 1 727 . 1 1 84 84 SER HB2 H 1 3.92 0.015 . 1 . . . . . . . . 4729 1 728 . 1 1 84 84 SER HB3 H 1 3.92 0.015 . 1 . . . . . . . . 4729 1 729 . 1 1 84 84 SER C C 13 172.50 0.015 . 1 . . . . . . . . 4729 1 730 . 1 1 85 85 CYS CA C 13 53.73 0.015 . 1 . . . . . . . . 4729 1 731 . 1 1 85 85 CYS CB C 13 44.21 0.015 . 1 . . . . . . . . 4729 1 732 . 1 1 85 85 CYS H H 1 8.37 0.015 . 1 . . . . . . . . 4729 1 733 . 1 1 85 85 CYS HA H 1 5.50 0.015 . 1 . . . . . . . . 4729 1 734 . 1 1 85 85 CYS HB2 H 1 2.52 0.015 . 2 . . . . . . . . 4729 1 735 . 1 1 85 85 CYS HB3 H 1 2.69 0.015 . 2 . . . . . . . . 4729 1 736 . 1 1 85 85 CYS N N 15 117.67 0.015 . 1 . . . . . . . . 4729 1 737 . 1 1 85 85 CYS C C 13 174.01 0.015 . 1 . . . . . . . . 4729 1 738 . 1 1 86 86 GLU CA C 13 54.53 0.015 . 1 . . . . . . . . 4729 1 739 . 1 1 86 86 GLU H H 1 9.45 0.015 . 1 . . . . . . . . 4729 1 740 . 1 1 86 86 GLU HA H 1 4.88 0.015 . 1 . . . . . . . . 4729 1 741 . 1 1 86 86 GLU HB2 H 1 1.98 0.015 . 1 . . . . . . . . 4729 1 742 . 1 1 86 86 GLU HB3 H 1 1.98 0.015 . 1 . . . . . . . . 4729 1 743 . 1 1 86 86 GLU HG2 H 1 2.15 0.015 . 1 . . . . . . . . 4729 1 744 . 1 1 86 86 GLU HG3 H 1 2.15 0.015 . 1 . . . . . . . . 4729 1 745 . 1 1 86 86 GLU N N 15 123.08 0.015 . 1 . . . . . . . . 4729 1 746 . 1 1 86 86 GLU C C 13 175.25 0.015 . 1 . . . . . . . . 4729 1 747 . 1 1 87 87 VAL CA C 13 62.70 0.015 . 1 . . . . . . . . 4729 1 748 . 1 1 87 87 VAL CB C 13 33.01 0.015 . 1 . . . . . . . . 4729 1 749 . 1 1 87 87 VAL H H 1 8.51 0.015 . 1 . . . . . . . . 4729 1 750 . 1 1 87 87 VAL HA H 1 4.13 0.015 . 1 . . . . . . . . 4729 1 751 . 1 1 87 87 VAL HB H 1 1.91 0.015 . 1 . . . . . . . . 4729 1 752 . 1 1 87 87 VAL HG11 H 1 0.79 0.015 . 1 . . . . . . . . 4729 1 753 . 1 1 87 87 VAL HG12 H 1 0.79 0.015 . 1 . . . . . . . . 4729 1 754 . 1 1 87 87 VAL HG13 H 1 0.79 0.015 . 1 . . . . . . . . 4729 1 755 . 1 1 87 87 VAL HG21 H 1 0.79 0.015 . 1 . . . . . . . . 4729 1 756 . 1 1 87 87 VAL HG22 H 1 0.79 0.015 . 1 . . . . . . . . 4729 1 757 . 1 1 87 87 VAL HG23 H 1 0.79 0.015 . 1 . . . . . . . . 4729 1 758 . 1 1 87 87 VAL N N 15 121.75 0.015 . 1 . . . . . . . . 4729 1 759 . 1 1 87 87 VAL C C 13 176.62 0.015 . 1 . . . . . . . . 4729 1 760 . 1 1 88 88 VAL CA C 13 62.96 0.015 . 1 . . . . . . . . 4729 1 761 . 1 1 88 88 VAL CB C 13 33.12 0.015 . 1 . . . . . . . . 4729 1 762 . 1 1 88 88 VAL H H 1 8.12 0.015 . 1 . . . . . . . . 4729 1 763 . 1 1 88 88 VAL HA H 1 4.02 0.015 . 1 . . . . . . . . 4729 1 764 . 1 1 88 88 VAL HB H 1 1.96 0.015 . 1 . . . . . . . . 4729 1 765 . 1 1 88 88 VAL HG11 H 1 0.86 0.015 . 1 . . . . . . . . 4729 1 766 . 1 1 88 88 VAL HG12 H 1 0.86 0.015 . 1 . . . . . . . . 4729 1 767 . 1 1 88 88 VAL HG13 H 1 0.86 0.015 . 1 . . . . . . . . 4729 1 768 . 1 1 88 88 VAL HG21 H 1 0.86 0.015 . 1 . . . . . . . . 4729 1 769 . 1 1 88 88 VAL HG22 H 1 0.86 0.015 . 1 . . . . . . . . 4729 1 770 . 1 1 88 88 VAL HG23 H 1 0.86 0.015 . 1 . . . . . . . . 4729 1 771 . 1 1 88 88 VAL N N 15 124.97 0.015 . 1 . . . . . . . . 4729 1 772 . 1 1 88 88 VAL C C 13 175.21 0.015 . 1 . . . . . . . . 4729 1 773 . 1 1 89 89 SER CA C 13 60.14 0.015 . 1 . . . . . . . . 4729 1 774 . 1 1 89 89 SER CB C 13 65.22 0.015 . 1 . . . . . . . . 4729 1 775 . 1 1 89 89 SER H H 1 7.83 0.015 . 1 . . . . . . . . 4729 1 776 . 1 1 89 89 SER HA H 1 4.25 0.015 . 1 . . . . . . . . 4729 1 777 . 1 1 89 89 SER HB2 H 1 3.80 0.015 . 1 . . . . . . . . 4729 1 778 . 1 1 89 89 SER HB3 H 1 3.80 0.015 . 1 . . . . . . . . 4729 1 779 . 1 1 89 89 SER N N 15 125.25 0.015 . 1 . . . . . . . . 4729 1 stop_ save_ save_pS_EGF_3-4_minor_form _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode pS_EGF_3-4_minor_form _Assigned_chem_shift_list.Entry_ID 4729 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 'Minor form, in which the Lys 167 - Pro 168 peptide bond is cis.' _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 . 4729 2 . . 2 $sample_2 . 4729 2 . . 3 $sample_3 . 4729 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 MET CA C 13 56.07 0.015 . 1 . . . . . . . . 4729 2 2 . 1 1 3 3 LYS CA C 13 56.83 0.015 . 1 . . . . . . . . 4729 2 3 . 1 1 3 3 LYS CB C 13 33.16 0.015 . 1 . . . . . . . . 4729 2 4 . 1 1 3 3 LYS H H 1 8.53 0.015 . 1 . . . . . . . . 4729 2 5 . 1 1 3 3 LYS HA H 1 4.30 0.015 . 1 . . . . . . . . 4729 2 6 . 1 1 3 3 LYS HB2 H 1 1.81 0.015 . 1 . . . . . . . . 4729 2 7 . 1 1 3 3 LYS HB3 H 1 1.81 0.015 . 1 . . . . . . . . 4729 2 8 . 1 1 3 3 LYS HG2 H 1 1.44 0.015 . 1 . . . . . . . . 4729 2 9 . 1 1 3 3 LYS HG3 H 1 1.44 0.015 . 1 . . . . . . . . 4729 2 10 . 1 1 3 3 LYS N N 15 122.47 0.015 . 1 . . . . . . . . 4729 2 11 . 1 1 4 4 ASP CA C 13 55.07 0.015 . 1 . . . . . . . . 4729 2 12 . 1 1 4 4 ASP H H 1 8.37 0.015 . 1 . . . . . . . . 4729 2 13 . 1 1 4 4 ASP HA H 1 4.58 0.015 . 1 . . . . . . . . 4729 2 14 . 1 1 4 4 ASP HB2 H 1 2.67 0.015 . 1 . . . . . . . . 4729 2 15 . 1 1 4 4 ASP HB3 H 1 2.67 0.015 . 1 . . . . . . . . 4729 2 16 . 1 1 4 4 ASP N N 15 120.71 0.015 . 1 . . . . . . . . 4729 2 17 . 1 1 5 5 VAL CA C 13 61.91 0.015 . 1 . . . . . . . . 4729 2 18 . 1 1 5 5 VAL CB C 13 33.86 0.015 . 1 . . . . . . . . 4729 2 19 . 1 1 5 5 VAL H H 1 7.80 0.015 . 1 . . . . . . . . 4729 2 20 . 1 1 5 5 VAL HA H 1 4.10 0.015 . 1 . . . . . . . . 4729 2 21 . 1 1 5 5 VAL HB H 1 1.98 0.015 . 1 . . . . . . . . 4729 2 22 . 1 1 5 5 VAL HG11 H 1 0.86 0.015 . 1 . . . . . . . . 4729 2 23 . 1 1 5 5 VAL HG12 H 1 0.86 0.015 . 1 . . . . . . . . 4729 2 24 . 1 1 5 5 VAL HG13 H 1 0.86 0.015 . 1 . . . . . . . . 4729 2 25 . 1 1 5 5 VAL HG21 H 1 0.86 0.015 . 1 . . . . . . . . 4729 2 26 . 1 1 5 5 VAL HG22 H 1 0.86 0.015 . 1 . . . . . . . . 4729 2 27 . 1 1 5 5 VAL HG23 H 1 0.86 0.015 . 1 . . . . . . . . 4729 2 28 . 1 1 5 5 VAL N N 15 119.32 0.015 . 1 . . . . . . . . 4729 2 29 . 1 1 6 6 ASP H H 1 8.40 0.015 . 1 . . . . . . . . 4729 2 30 . 1 1 6 6 ASP HA H 1 4.69 0.015 . 1 . . . . . . . . 4729 2 31 . 1 1 6 6 ASP N N 15 123.77 0.015 . 1 . . . . . . . . 4729 2 32 . 1 1 7 7 GLU H H 1 9.23 0.015 . 1 . . . . . . . . 4729 2 33 . 1 1 7 7 GLU HA H 1 4.71 0.015 . 1 . . . . . . . . 4729 2 34 . 1 1 7 7 GLU N N 15 126.53 0.015 . 1 . . . . . . . . 4729 2 35 . 1 1 7 7 GLU C C 13 178.19 0.015 . 1 . . . . . . . . 4729 2 36 . 1 1 8 8 CYS CA C 13 53.99 0.015 . 1 . . . . . . . . 4729 2 37 . 1 1 8 8 CYS C C 13 176.12 0.015 . 1 . . . . . . . . 4729 2 38 . 1 1 8 8 CYS H H 1 8.24 0.015 . 1 . . . . . . . . 4729 2 39 . 1 1 8 8 CYS HA H 1 4.66 0.015 . 1 . . . . . . . . 4729 2 40 . 1 1 8 8 CYS HB2 H 1 3.06 0.015 . 1 . . . . . . . . 4729 2 41 . 1 1 8 8 CYS HB3 H 1 3.06 0.015 . 1 . . . . . . . . 4729 2 42 . 1 1 8 8 CYS N N 15 114.14 0.015 . 1 . . . . . . . . 4729 2 43 . 1 1 9 9 SER CA C 13 59.59 0.015 . 1 . . . . . . . . 4729 2 44 . 1 1 9 9 SER H H 1 7.81 0.015 . 1 . . . . . . . . 4729 2 45 . 1 1 9 9 SER HA H 1 4.44 0.015 . 1 . . . . . . . . 4729 2 46 . 1 1 9 9 SER HB2 H 1 3.91 0.015 . 1 . . . . . . . . 4729 2 47 . 1 1 9 9 SER HB3 H 1 3.91 0.015 . 1 . . . . . . . . 4729 2 48 . 1 1 9 9 SER N N 15 115.20 0.015 . 1 . . . . . . . . 4729 2 49 . 1 1 9 9 SER C C 13 174.61 0.015 . 1 . . . . . . . . 4729 2 50 . 1 1 10 10 LEU CA C 13 55.71 0.015 . 1 . . . . . . . . 4729 2 51 . 1 1 10 10 LEU CB C 13 42.51 0.015 . 1 . . . . . . . . 4729 2 52 . 1 1 10 10 LEU H H 1 6.86 0.015 . 1 . . . . . . . . 4729 2 53 . 1 1 10 10 LEU HA H 1 4.18 0.015 . 1 . . . . . . . . 4729 2 54 . 1 1 10 10 LEU HB2 H 1 1.43 0.015 . 2 . . . . . . . . 4729 2 55 . 1 1 10 10 LEU HB3 H 1 1.68 0.015 . 2 . . . . . . . . 4729 2 56 . 1 1 10 10 LEU HD11 H 1 0.80 0.015 . 1 . . . . . . . . 4729 2 57 . 1 1 10 10 LEU HD12 H 1 0.80 0.015 . 1 . . . . . . . . 4729 2 58 . 1 1 10 10 LEU HD13 H 1 0.80 0.015 . 1 . . . . . . . . 4729 2 59 . 1 1 10 10 LEU HD21 H 1 0.80 0.015 . 1 . . . . . . . . 4729 2 60 . 1 1 10 10 LEU HD22 H 1 0.80 0.015 . 1 . . . . . . . . 4729 2 61 . 1 1 10 10 LEU HD23 H 1 0.80 0.015 . 1 . . . . . . . . 4729 2 62 . 1 1 10 10 LEU N N 15 121.94 0.015 . 1 . . . . . . . . 4729 2 63 . 1 1 11 11 LYS H H 1 8.21 0.015 . 1 . . . . . . . . 4729 2 64 . 1 1 11 11 LYS HA H 1 4.91 0.015 . 1 . . . . . . . . 4729 2 65 . 1 1 11 11 LYS HB2 H 1 1.68 0.015 . 4 . . . . . . . . 4729 2 66 . 1 1 11 11 LYS HB3 H 1 1.68 0.015 . 4 . . . . . . . . 4729 2 67 . 1 1 11 11 LYS HG2 H 1 1.45 0.015 . 1 . . . . . . . . 4729 2 68 . 1 1 11 11 LYS HG3 H 1 1.45 0.015 . 1 . . . . . . . . 4729 2 69 . 1 1 11 11 LYS HD2 H 1 1.68 0.015 . 4 . . . . . . . . 4729 2 70 . 1 1 11 11 LYS HD3 H 1 1.68 0.015 . 4 . . . . . . . . 4729 2 71 . 1 1 11 11 LYS N N 15 121.07 0.015 . 1 . . . . . . . . 4729 2 72 . 1 1 12 12 PRO C C 13 178.19 0.015 . 1 . . . . . . . . 4729 2 73 . 1 1 13 13 SER HB3 H 1 4.56 0.015 . 2 . . . . . . . . 4729 2 74 . 1 1 13 13 SER N N 15 113.59 0.015 . 1 . . . . . . . . 4729 2 75 . 1 1 13 13 SER C C 13 177.18 0.015 . 1 . . . . . . . . 4729 2 76 . 1 1 13 13 SER H H 1 8.53 0.015 . 1 . . . . . . . . 4729 2 77 . 1 1 13 13 SER HA H 1 4.66 0.015 . 1 . . . . . . . . 4729 2 78 . 1 1 13 13 SER HB2 H 1 4.03 0.015 . 2 . . . . . . . . 4729 2 79 . 1 1 14 14 ILE H H 1 7.76 0.015 . 1 . . . . . . . . 4729 2 80 . 1 1 14 14 ILE HA H 1 4.00 0.015 . 1 . . . . . . . . 4729 2 81 . 1 1 14 14 ILE HB H 1 1.80 0.015 . 1 . . . . . . . . 4729 2 82 . 1 1 14 14 ILE HG12 H 1 1.24 0.015 . 2 . . . . . . . . 4729 2 83 . 1 1 14 14 ILE HG13 H 1 1.62 0.015 . 2 . . . . . . . . 4729 2 84 . 1 1 14 14 ILE HG21 H 1 0.96 0.015 . 1 . . . . . . . . 4729 2 85 . 1 1 14 14 ILE HG22 H 1 0.96 0.015 . 1 . . . . . . . . 4729 2 86 . 1 1 14 14 ILE HG23 H 1 0.96 0.015 . 1 . . . . . . . . 4729 2 87 . 1 1 14 14 ILE HD11 H 1 0.64 0.015 . 1 . . . . . . . . 4729 2 88 . 1 1 14 14 ILE HD12 H 1 0.64 0.015 . 1 . . . . . . . . 4729 2 89 . 1 1 14 14 ILE HD13 H 1 0.64 0.015 . 1 . . . . . . . . 4729 2 90 . 1 1 14 14 ILE N N 15 124.20 0.015 . 1 . . . . . . . . 4729 2 91 . 1 1 14 14 ILE C C 13 176.00 0.015 . 1 . . . . . . . . 4729 2 92 . 1 1 14 14 ILE CA C 13 63.50 0.015 . 1 . . . . . . . . 4729 2 93 . 1 1 15 15 CYS H H 1 8.43 0.015 . 1 . . . . . . . . 4729 2 94 . 1 1 15 15 CYS HA H 1 5.10 0.015 . 1 . . . . . . . . 4729 2 95 . 1 1 15 15 CYS HB2 H 1 2.35 0.015 . 2 . . . . . . . . 4729 2 96 . 1 1 15 15 CYS HB3 H 1 2.87 0.015 . 2 . . . . . . . . 4729 2 97 . 1 1 15 15 CYS N N 15 117.92 0.015 . 1 . . . . . . . . 4729 2 98 . 1 1 15 15 CYS C C 13 175.42 0.015 . 1 . . . . . . . . 4729 2 99 . 1 1 15 15 CYS CA C 13 53.91 0.015 . 1 . . . . . . . . 4729 2 100 . 1 1 16 16 GLY H H 1 7.94 0.015 . 1 . . . . . . . . 4729 2 101 . 1 1 16 16 GLY HA2 H 1 3.75 0.015 . 2 . . . . . . . . 4729 2 102 . 1 1 16 16 GLY HA3 H 1 4.67 0.015 . 2 . . . . . . . . 4729 2 103 . 1 1 16 16 GLY N N 15 108.23 0.015 . 1 . . . . . . . . 4729 2 104 . 1 1 16 16 GLY C C 13 176.18 0.015 . 1 . . . . . . . . 4729 2 105 . 1 1 16 16 GLY CA C 13 47.59 0.015 . 1 . . . . . . . . 4729 2 106 . 1 1 17 17 THR H H 1 8.49 0.015 . 1 . . . . . . . . 4729 2 107 . 1 1 17 17 THR HA H 1 4.44 0.015 . 1 . . . . . . . . 4729 2 108 . 1 1 17 17 THR HG21 H 1 1.31 0.015 . 1 . . . . . . . . 4729 2 109 . 1 1 17 17 THR HG22 H 1 1.31 0.015 . 1 . . . . . . . . 4729 2 110 . 1 1 17 17 THR HG23 H 1 1.31 0.015 . 1 . . . . . . . . 4729 2 111 . 1 1 17 17 THR N N 15 116.98 0.015 . 1 . . . . . . . . 4729 2 112 . 1 1 17 17 THR C C 13 175.62 0.015 . 1 . . . . . . . . 4729 2 113 . 1 1 17 17 THR CA C 13 61.94 0.015 . 1 . . . . . . . . 4729 2 114 . 1 1 18 18 ALA H H 1 8.18 0.015 . 1 . . . . . . . . 4729 2 115 . 1 1 18 18 ALA HA H 1 4.60 0.015 . 1 . . . . . . . . 4729 2 116 . 1 1 18 18 ALA HB1 H 1 1.45 0.015 . 1 . . . . . . . . 4729 2 117 . 1 1 18 18 ALA HB2 H 1 1.45 0.015 . 1 . . . . . . . . 4729 2 118 . 1 1 18 18 ALA HB3 H 1 1.45 0.015 . 1 . . . . . . . . 4729 2 119 . 1 1 18 18 ALA N N 15 126.31 0.015 . 1 . . . . . . . . 4729 2 120 . 1 1 18 18 ALA C C 13 175.25 0.015 . 1 . . . . . . . . 4729 2 121 . 1 1 18 18 ALA CA C 13 51.81 0.015 . 1 . . . . . . . . 4729 2 122 . 1 1 18 18 ALA CB C 13 20.41 0.015 . 1 . . . . . . . . 4729 2 123 . 1 1 19 19 VAL H H 1 7.91 0.015 . 1 . . . . . . . . 4729 2 124 . 1 1 19 19 VAL HA H 1 3.93 0.015 . 1 . . . . . . . . 4729 2 125 . 1 1 19 19 VAL HB H 1 1.94 0.015 . 1 . . . . . . . . 4729 2 126 . 1 1 19 19 VAL HG11 H 1 0.88 0.015 . 2 . . . . . . . . 4729 2 127 . 1 1 19 19 VAL HG12 H 1 0.88 0.015 . 2 . . . . . . . . 4729 2 128 . 1 1 19 19 VAL HG13 H 1 0.88 0.015 . 2 . . . . . . . . 4729 2 129 . 1 1 19 19 VAL HG21 H 1 0.96 0.015 . 2 . . . . . . . . 4729 2 130 . 1 1 19 19 VAL HG22 H 1 0.96 0.015 . 2 . . . . . . . . 4729 2 131 . 1 1 19 19 VAL HG23 H 1 0.96 0.015 . 2 . . . . . . . . 4729 2 132 . 1 1 19 19 VAL N N 15 119.10 0.015 . 1 . . . . . . . . 4729 2 133 . 1 1 19 19 VAL C C 13 174.90 0.015 . 1 . . . . . . . . 4729 2 134 . 1 1 19 19 VAL CA C 13 63.15 0.015 . 1 . . . . . . . . 4729 2 135 . 1 1 19 19 VAL CB C 13 33.71 0.015 . 1 . . . . . . . . 4729 2 136 . 1 1 20 20 CYS H H 1 8.52 0.015 . 1 . . . . . . . . 4729 2 137 . 1 1 20 20 CYS HA H 1 5.12 0.015 . 1 . . . . . . . . 4729 2 138 . 1 1 20 20 CYS HB2 H 1 2.41 0.015 . 2 . . . . . . . . 4729 2 139 . 1 1 20 20 CYS HB3 H 1 3.06 0.015 . 2 . . . . . . . . 4729 2 140 . 1 1 20 20 CYS N N 15 127.80 0.015 . 1 . . . . . . . . 4729 2 141 . 1 1 21 21 LYS HA H 1 4.61 0.015 . 1 . . . . . . . . 4729 2 142 . 1 1 21 21 LYS HB2 H 1 1.82 0.015 . 1 . . . . . . . . 4729 2 143 . 1 1 21 21 LYS HB3 H 1 1.82 0.015 . 1 . . . . . . . . 4729 2 144 . 1 1 21 21 LYS HG2 H 1 1.28 0.015 . 2 . . . . . . . . 4729 2 145 . 1 1 21 21 LYS HG3 H 1 1.40 0.015 . 2 . . . . . . . . 4729 2 146 . 1 1 21 21 LYS HD2 H 1 1.64 0.015 . 1 . . . . . . . . 4729 2 147 . 1 1 21 21 LYS HD3 H 1 1.64 0.015 . 1 . . . . . . . . 4729 2 148 . 1 1 22 22 ASN H H 1 8.66 0.015 . 1 . . . . . . . . 4729 2 149 . 1 1 22 22 ASN HA H 1 4.87 0.015 . 1 . . . . . . . . 4729 2 150 . 1 1 22 22 ASN HB2 H 1 2.72 0.015 . 2 . . . . . . . . 4729 2 151 . 1 1 22 22 ASN HB3 H 1 2.81 0.015 . 2 . . . . . . . . 4729 2 152 . 1 1 22 22 ASN HD21 H 1 7.44 0.015 . 2 . . . . . . . . 4729 2 153 . 1 1 22 22 ASN HD22 H 1 7.59 0.015 . 2 . . . . . . . . 4729 2 154 . 1 1 22 22 ASN N N 15 123.55 0.015 . 1 . . . . . . . . 4729 2 155 . 1 1 22 22 ASN ND2 N 15 114.03 0.015 . 1 . . . . . . . . 4729 2 156 . 1 1 22 22 ASN C C 13 174.99 0.015 . 1 . . . . . . . . 4729 2 157 . 1 1 22 22 ASN CA C 13 54.83 0.015 . 1 . . . . . . . . 4729 2 158 . 1 1 23 23 ILE H H 1 7.87 0.015 . 1 . . . . . . . . 4729 2 159 . 1 1 23 23 ILE HA H 1 4.71 0.015 . 1 . . . . . . . . 4729 2 160 . 1 1 23 23 ILE N N 15 120.16 0.015 . 1 . . . . . . . . 4729 2 161 . 1 1 23 23 ILE CA C 13 59.50 0.015 . 1 . . . . . . . . 4729 2 162 . 1 1 24 24 PRO HA H 1 4.32 0.015 . 1 . . . . . . . . 4729 2 163 . 1 1 25 25 GLY H H 1 8.81 0.015 . 1 . . . . . . . . 4729 2 164 . 1 1 25 25 GLY HA2 H 1 3.87 0.015 . 2 . . . . . . . . 4729 2 165 . 1 1 25 25 GLY HA3 H 1 4.05 0.015 . 2 . . . . . . . . 4729 2 166 . 1 1 25 25 GLY N N 15 114.69 0.015 . 1 . . . . . . . . 4729 2 167 . 1 1 25 25 GLY C C 13 176.58 0.015 . 1 . . . . . . . . 4729 2 168 . 1 1 25 25 GLY CA C 13 46.71 0.015 . 1 . . . . . . . . 4729 2 169 . 1 1 26 26 ASP H H 1 8.27 0.015 . 1 . . . . . . . . 4729 2 170 . 1 1 26 26 ASP HA H 1 4.87 0.015 . 1 . . . . . . . . 4729 2 171 . 1 1 26 26 ASP HB2 H 1 2.44 0.015 . 2 . . . . . . . . 4729 2 172 . 1 1 26 26 ASP HB3 H 1 2.54 0.015 . 2 . . . . . . . . 4729 2 173 . 1 1 26 26 ASP N N 15 121.13 0.015 . 1 . . . . . . . . 4729 2 174 . 1 1 26 26 ASP CA C 13 54.39 0.015 . 1 . . . . . . . . 4729 2 175 . 1 1 27 27 PHE H H 1 8.81 0.015 . 1 . . . . . . . . 4729 2 176 . 1 1 27 27 PHE N N 15 118.04 0.015 . 1 . . . . . . . . 4729 2 177 . 1 1 27 27 PHE CA C 13 56.79 0.015 . 1 . . . . . . . . 4729 2 178 . 1 1 28 28 GLU H H 1 9.03 0.015 . 1 . . . . . . . . 4729 2 179 . 1 1 28 28 GLU HA H 1 4.36 0.015 . 1 . . . . . . . . 4729 2 180 . 1 1 28 28 GLU HB2 H 1 1.82 0.015 . 1 . . . . . . . . 4729 2 181 . 1 1 28 28 GLU HB3 H 1 1.82 0.015 . 1 . . . . . . . . 4729 2 182 . 1 1 28 28 GLU N N 15 119.53 0.015 . 1 . . . . . . . . 4729 2 183 . 1 1 28 28 GLU C C 13 174.11 0.015 . 1 . . . . . . . . 4729 2 184 . 1 1 29 29 CYS H H 1 8.09 0.015 . 1 . . . . . . . . 4729 2 185 . 1 1 29 29 CYS N N 15 119.95 0.015 . 1 . . . . . . . . 4729 2 186 . 1 1 30 30 GLU H H 1 9.34 0.015 . 1 . . . . . . . . 4729 2 187 . 1 1 30 30 GLU N N 15 123.98 0.015 . 1 . . . . . . . . 4729 2 188 . 1 1 30 30 GLU C C 13 174.87 0.015 . 1 . . . . . . . . 4729 2 189 . 1 1 31 31 CYS CA C 13 53.18 0.015 . 1 . . . . . . . . 4729 2 190 . 1 1 31 31 CYS H H 1 8.60 0.015 . 1 . . . . . . . . 4729 2 191 . 1 1 31 31 CYS HB2 H 1 2.55 0.015 . 2 . . . . . . . . 4729 2 192 . 1 1 31 31 CYS N N 15 122.04 0.015 . 1 . . . . . . . . 4729 2 193 . 1 1 32 32 PRO CA C 13 62.54 0.015 . 1 . . . . . . . . 4729 2 194 . 1 1 32 32 PRO CB C 13 32.48 0.015 . 1 . . . . . . . . 4729 2 195 . 1 1 32 32 PRO HA H 1 4.56 0.015 . 1 . . . . . . . . 4729 2 196 . 1 1 32 32 PRO HB2 H 1 1.82 0.015 . 2 . . . . . . . . 4729 2 197 . 1 1 32 32 PRO HD2 H 1 3.07 0.015 . 2 . . . . . . . . 4729 2 198 . 1 1 32 32 PRO C C 13 174.86 0.015 . 1 . . . . . . . . 4729 2 199 . 1 1 33 33 GLU CA C 13 58.60 0.015 . 1 . . . . . . . . 4729 2 200 . 1 1 33 33 GLU CB C 13 30.04 0.015 . 1 . . . . . . . . 4729 2 201 . 1 1 33 33 GLU H H 1 8.39 0.015 . 1 . . . . . . . . 4729 2 202 . 1 1 33 33 GLU HA H 1 4.17 0.015 . 1 . . . . . . . . 4729 2 203 . 1 1 33 33 GLU HB2 H 1 1.91 0.015 . 2 . . . . . . . . 4729 2 204 . 1 1 33 33 GLU HB3 H 1 2.08 0.015 . 2 . . . . . . . . 4729 2 205 . 1 1 33 33 GLU HG2 H 1 2.42 0.015 . 1 . . . . . . . . 4729 2 206 . 1 1 33 33 GLU HG3 H 1 2.42 0.015 . 1 . . . . . . . . 4729 2 207 . 1 1 33 33 GLU N N 15 119.92 0.015 . 1 . . . . . . . . 4729 2 208 . 1 1 33 33 GLU C C 13 177.39 0.015 . 1 . . . . . . . . 4729 2 209 . 1 1 34 34 GLY CA C 13 45.09 0.015 . 1 . . . . . . . . 4729 2 210 . 1 1 34 34 GLY H H 1 8.84 0.015 . 1 . . . . . . . . 4729 2 211 . 1 1 34 34 GLY HA2 H 1 3.42 0.015 . 2 . . . . . . . . 4729 2 212 . 1 1 34 34 GLY HA3 H 1 4.37 0.015 . 2 . . . . . . . . 4729 2 213 . 1 1 34 34 GLY N N 15 111.00 0.015 . 1 . . . . . . . . 4729 2 214 . 1 1 34 34 GLY C C 13 173.45 0.015 . 1 . . . . . . . . 4729 2 215 . 1 1 35 35 TYR CA C 13 56.89 0.015 . 1 . . . . . . . . 4729 2 216 . 1 1 35 35 TYR CB C 13 42.34 0.015 . 1 . . . . . . . . 4729 2 217 . 1 1 35 35 TYR H H 1 8.31 0.015 . 1 . . . . . . . . 4729 2 218 . 1 1 35 35 TYR HA H 1 5.17 0.015 . 1 . . . . . . . . 4729 2 219 . 1 1 35 35 TYR HB2 H 1 2.54 0.015 . 2 . . . . . . . . 4729 2 220 . 1 1 35 35 TYR HB3 H 1 3.10 0.015 . 2 . . . . . . . . 4729 2 221 . 1 1 35 35 TYR HD1 H 1 6.80 0.015 . 1 . . . . . . . . 4729 2 222 . 1 1 35 35 TYR HD2 H 1 6.80 0.015 . 1 . . . . . . . . 4729 2 223 . 1 1 35 35 TYR N N 15 117.95 0.015 . 1 . . . . . . . . 4729 2 224 . 1 1 35 35 TYR C C 13 174.13 0.015 . 1 . . . . . . . . 4729 2 225 . 1 1 36 36 ARG CA C 13 54.67 0.015 . 1 . . . . . . . . 4729 2 226 . 1 1 36 36 ARG CB C 13 34.65 0.015 . 1 . . . . . . . . 4729 2 227 . 1 1 36 36 ARG CG C 13 27.36 0.015 . 1 . . . . . . . . 4729 2 228 . 1 1 36 36 ARG CD C 13 44.11 0.015 . 1 . . . . . . . . 4729 2 229 . 1 1 36 36 ARG H H 1 9.41 0.015 . 1 . . . . . . . . 4729 2 230 . 1 1 36 36 ARG HA H 1 4.76 0.015 . 1 . . . . . . . . 4729 2 231 . 1 1 36 36 ARG HB2 H 1 1.72 0.015 . 1 . . . . . . . . 4729 2 232 . 1 1 36 36 ARG HB3 H 1 1.72 0.015 . 1 . . . . . . . . 4729 2 233 . 1 1 36 36 ARG HG2 H 1 1.59 0.015 . 1 . . . . . . . . 4729 2 234 . 1 1 36 36 ARG HG3 H 1 1.59 0.015 . 1 . . . . . . . . 4729 2 235 . 1 1 36 36 ARG HD2 H 1 3.19 0.015 . 1 . . . . . . . . 4729 2 236 . 1 1 36 36 ARG HD3 H 1 3.19 0.015 . 1 . . . . . . . . 4729 2 237 . 1 1 36 36 ARG HE H 1 7.15 0.015 . 1 . . . . . . . . 4729 2 238 . 1 1 36 36 ARG N N 15 118.42 0.015 . 1 . . . . . . . . 4729 2 239 . 1 1 36 36 ARG NE N 15 84.13 0.015 . 1 . . . . . . . . 4729 2 240 . 1 1 36 36 ARG C C 13 175.40 0.015 . 1 . . . . . . . . 4729 2 241 . 1 1 37 37 TYR CA C 13 59.70 0.015 . 1 . . . . . . . . 4729 2 242 . 1 1 37 37 TYR CB C 13 38.88 0.015 . 1 . . . . . . . . 4729 2 243 . 1 1 37 37 TYR H H 1 9.12 0.015 . 1 . . . . . . . . 4729 2 244 . 1 1 37 37 TYR HA H 1 4.50 0.015 . 1 . . . . . . . . 4729 2 245 . 1 1 37 37 TYR HB2 H 1 2.88 0.015 . 1 . . . . . . . . 4729 2 246 . 1 1 37 37 TYR HB3 H 1 2.88 0.015 . 1 . . . . . . . . 4729 2 247 . 1 1 37 37 TYR HD1 H 1 6.73 0.015 . 1 . . . . . . . . 4729 2 248 . 1 1 37 37 TYR HD2 H 1 6.73 0.015 . 1 . . . . . . . . 4729 2 249 . 1 1 37 37 TYR HE1 H 1 6.59 0.015 . 1 . . . . . . . . 4729 2 250 . 1 1 37 37 TYR HE2 H 1 6.59 0.015 . 1 . . . . . . . . 4729 2 251 . 1 1 37 37 TYR N N 15 127.38 0.015 . 1 . . . . . . . . 4729 2 252 . 1 1 37 37 TYR C C 13 174.42 0.015 . 1 . . . . . . . . 4729 2 253 . 1 1 38 38 ASN CA C 13 52.05 0.015 . 1 . . . . . . . . 4729 2 254 . 1 1 38 38 ASN CB C 13 39.59 0.015 . 1 . . . . . . . . 4729 2 255 . 1 1 38 38 ASN H H 1 8.29 0.015 . 1 . . . . . . . . 4729 2 256 . 1 1 38 38 ASN HA H 1 4.67 0.015 . 1 . . . . . . . . 4729 2 257 . 1 1 38 38 ASN HB2 H 1 2.28 0.015 . 1 . . . . . . . . 4729 2 258 . 1 1 38 38 ASN HB3 H 1 2.28 0.015 . 1 . . . . . . . . 4729 2 259 . 1 1 38 38 ASN HD21 H 1 6.78 0.015 . 2 . . . . . . . . 4729 2 260 . 1 1 38 38 ASN HD22 H 1 7.90 0.015 . 2 . . . . . . . . 4729 2 261 . 1 1 38 38 ASN N N 15 128.83 0.015 . 1 . . . . . . . . 4729 2 262 . 1 1 38 38 ASN ND2 N 15 113.52 0.015 . 1 . . . . . . . . 4729 2 263 . 1 1 38 38 ASN C C 13 174.81 0.015 . 1 . . . . . . . . 4729 2 264 . 1 1 39 39 LEU CA C 13 58.03 0.015 . 1 . . . . . . . . 4729 2 265 . 1 1 39 39 LEU CB C 13 42.76 0.015 . 1 . . . . . . . . 4729 2 266 . 1 1 39 39 LEU H H 1 8.35 0.015 . 1 . . . . . . . . 4729 2 267 . 1 1 39 39 LEU HA H 1 3.79 0.015 . 1 . . . . . . . . 4729 2 268 . 1 1 39 39 LEU HB2 H 1 1.74 0.015 . 1 . . . . . . . . 4729 2 269 . 1 1 39 39 LEU HB3 H 1 1.74 0.015 . 1 . . . . . . . . 4729 2 270 . 1 1 39 39 LEU HD11 H 1 1.04 0.015 . 1 . . . . . . . . 4729 2 271 . 1 1 39 39 LEU HD12 H 1 1.04 0.015 . 1 . . . . . . . . 4729 2 272 . 1 1 39 39 LEU HD13 H 1 1.04 0.015 . 1 . . . . . . . . 4729 2 273 . 1 1 39 39 LEU HD21 H 1 1.04 0.015 . 1 . . . . . . . . 4729 2 274 . 1 1 39 39 LEU HD22 H 1 1.04 0.015 . 1 . . . . . . . . 4729 2 275 . 1 1 39 39 LEU HD23 H 1 1.04 0.015 . 1 . . . . . . . . 4729 2 276 . 1 1 39 39 LEU N N 15 125.40 0.015 . 1 . . . . . . . . 4729 2 277 . 1 1 39 39 LEU C C 13 178.03 0.015 . 1 . . . . . . . . 4729 2 278 . 1 1 40 40 LYS CA C 13 58.85 0.015 . 1 . . . . . . . . 4729 2 279 . 1 1 40 40 LYS CB C 13 32.56 0.015 . 1 . . . . . . . . 4729 2 280 . 1 1 40 40 LYS H H 1 8.10 0.015 . 1 . . . . . . . . 4729 2 281 . 1 1 40 40 LYS HA H 1 4.11 0.015 . 1 . . . . . . . . 4729 2 282 . 1 1 40 40 LYS HB2 H 1 1.87 0.015 . 1 . . . . . . . . 4729 2 283 . 1 1 40 40 LYS HB3 H 1 1.87 0.015 . 1 . . . . . . . . 4729 2 284 . 1 1 40 40 LYS HG2 H 1 1.40 0.015 . 2 . . . . . . . . 4729 2 285 . 1 1 40 40 LYS HG3 H 1 1.50 0.015 . 2 . . . . . . . . 4729 2 286 . 1 1 40 40 LYS HD2 H 1 1.72 0.015 . 1 . . . . . . . . 4729 2 287 . 1 1 40 40 LYS HD3 H 1 1.72 0.015 . 1 . . . . . . . . 4729 2 288 . 1 1 40 40 LYS HE2 H 1 3.10 0.015 . 1 . . . . . . . . 4729 2 289 . 1 1 40 40 LYS HE3 H 1 3.10 0.015 . 1 . . . . . . . . 4729 2 290 . 1 1 40 40 LYS N N 15 117.43 0.015 . 1 . . . . . . . . 4729 2 291 . 1 1 40 40 LYS C C 13 177.96 0.015 . 1 . . . . . . . . 4729 2 292 . 1 1 41 41 SER CA C 13 57.95 0.015 . 1 . . . . . . . . 4729 2 293 . 1 1 41 41 SER CB C 13 64.53 0.015 . 1 . . . . . . . . 4729 2 294 . 1 1 41 41 SER H H 1 7.46 0.015 . 1 . . . . . . . . 4729 2 295 . 1 1 41 41 SER HA H 1 4.35 0.015 . 1 . . . . . . . . 4729 2 296 . 1 1 41 41 SER HB2 H 1 3.58 0.015 . 2 . . . . . . . . 4729 2 297 . 1 1 41 41 SER HB3 H 1 3.96 0.015 . 2 . . . . . . . . 4729 2 298 . 1 1 41 41 SER N N 15 111.49 0.015 . 1 . . . . . . . . 4729 2 299 . 1 1 41 41 SER C C 13 174.63 0.015 . 1 . . . . . . . . 4729 2 300 . 1 1 42 42 LYS CA C 13 57.49 0.015 . 1 . . . . . . . . 4729 2 301 . 1 1 42 42 LYS CB C 13 30.03 0.015 . 1 . . . . . . . . 4729 2 302 . 1 1 42 42 LYS H H 1 8.00 0.015 . 1 . . . . . . . . 4729 2 303 . 1 1 42 42 LYS HA H 1 3.83 0.015 . 1 . . . . . . . . 4729 2 304 . 1 1 42 42 LYS HB2 H 1 2.12 0.015 . 1 . . . . . . . . 4729 2 305 . 1 1 42 42 LYS HB3 H 1 2.12 0.015 . 1 . . . . . . . . 4729 2 306 . 1 1 42 42 LYS HG2 H 1 1.38 0.015 . 1 . . . . . . . . 4729 2 307 . 1 1 42 42 LYS HG3 H 1 1.38 0.015 . 1 . . . . . . . . 4729 2 308 . 1 1 42 42 LYS HD2 H 1 1.74 0.015 . 1 . . . . . . . . 4729 2 309 . 1 1 42 42 LYS HD3 H 1 1.74 0.015 . 1 . . . . . . . . 4729 2 310 . 1 1 42 42 LYS HE2 H 1 3.09 0.015 . 1 . . . . . . . . 4729 2 311 . 1 1 42 42 LYS HE3 H 1 3.09 0.015 . 1 . . . . . . . . 4729 2 312 . 1 1 42 42 LYS N N 15 121.65 0.015 . 1 . . . . . . . . 4729 2 313 . 1 1 42 42 LYS C C 13 174.84 0.015 . 1 . . . . . . . . 4729 2 314 . 1 1 43 43 SER CA C 13 56.73 0.015 . 1 . . . . . . . . 4729 2 315 . 1 1 43 43 SER CB C 13 66.84 0.015 . 1 . . . . . . . . 4729 2 316 . 1 1 43 43 SER H H 1 7.20 0.015 . 1 . . . . . . . . 4729 2 317 . 1 1 43 43 SER HA H 1 4.90 0.015 . 1 . . . . . . . . 4729 2 318 . 1 1 43 43 SER HB2 H 1 3.71 0.015 . 1 . . . . . . . . 4729 2 319 . 1 1 43 43 SER HB3 H 1 3.71 0.015 . 1 . . . . . . . . 4729 2 320 . 1 1 43 43 SER N N 15 109.47 0.015 . 1 . . . . . . . . 4729 2 321 . 1 1 43 43 SER C C 13 172.78 0.015 . 1 . . . . . . . . 4729 2 322 . 1 1 44 44 CYS CA C 13 55.24 0.015 . 1 . . . . . . . . 4729 2 323 . 1 1 44 44 CYS CB C 13 41.38 0.015 . 1 . . . . . . . . 4729 2 324 . 1 1 44 44 CYS H H 1 8.63 0.015 . 1 . . . . . . . . 4729 2 325 . 1 1 44 44 CYS HA H 1 5.16 0.015 . 1 . . . . . . . . 4729 2 326 . 1 1 44 44 CYS HB2 H 1 2.76 0.015 . 1 . . . . . . . . 4729 2 327 . 1 1 44 44 CYS HB3 H 1 2.76 0.015 . 1 . . . . . . . . 4729 2 328 . 1 1 44 44 CYS N N 15 118.70 0.015 . 1 . . . . . . . . 4729 2 329 . 1 1 44 44 CYS C C 13 174.30 0.015 . 1 . . . . . . . . 4729 2 330 . 1 1 45 45 GLU CA C 13 54.56 0.015 . 1 . . . . . . . . 4729 2 331 . 1 1 45 45 GLU CB C 13 33.20 0.015 . 1 . . . . . . . . 4729 2 332 . 1 1 45 45 GLU H H 1 9.16 0.015 . 1 . . . . . . . . 4729 2 333 . 1 1 45 45 GLU HA H 1 4.88 0.015 . 1 . . . . . . . . 4729 2 334 . 1 1 45 45 GLU HB2 H 1 1.96 0.015 . 2 . . . . . . . . 4729 2 335 . 1 1 45 45 GLU HB3 H 1 2.11 0.015 . 2 . . . . . . . . 4729 2 336 . 1 1 45 45 GLU HG2 H 1 2.25 0.015 . 1 . . . . . . . . 4729 2 337 . 1 1 45 45 GLU HG3 H 1 2.25 0.015 . 1 . . . . . . . . 4729 2 338 . 1 1 45 45 GLU N N 15 124.19 0.015 . 1 . . . . . . . . 4729 2 339 . 1 1 45 45 GLU C C 13 175.71 0.015 . 1 . . . . . . . . 4729 2 340 . 1 1 46 46 ASP CA C 13 55.82 0.015 . 1 . . . . . . . . 4729 2 341 . 1 1 46 46 ASP CB C 13 43.23 0.015 . 1 . . . . . . . . 4729 2 342 . 1 1 46 46 ASP H H 1 9.05 0.015 . 1 . . . . . . . . 4729 2 343 . 1 1 46 46 ASP HA H 1 3.98 0.015 . 1 . . . . . . . . 4729 2 344 . 1 1 46 46 ASP HB2 H 1 2.28 0.015 . 2 . . . . . . . . 4729 2 345 . 1 1 46 46 ASP HB3 H 1 2.39 0.015 . 2 . . . . . . . . 4729 2 346 . 1 1 46 46 ASP N N 15 122.87 0.015 . 1 . . . . . . . . 4729 2 347 . 1 1 46 46 ASP C C 13 176.18 0.015 . 1 . . . . . . . . 4729 2 348 . 1 1 47 47 ILE CA C 13 61.93 0.015 . 1 . . . . . . . . 4729 2 349 . 1 1 47 47 ILE CB C 13 40.22 0.015 . 1 . . . . . . . . 4729 2 350 . 1 1 47 47 ILE H H 1 7.70 0.015 . 1 . . . . . . . . 4729 2 351 . 1 1 47 47 ILE HA H 1 3.63 0.015 . 1 . . . . . . . . 4729 2 352 . 1 1 47 47 ILE HG12 H 1 1.31 0.015 . 1 . . . . . . . . 4729 2 353 . 1 1 47 47 ILE HG13 H 1 1.31 0.015 . 1 . . . . . . . . 4729 2 354 . 1 1 47 47 ILE HG21 H 1 0.62 0.015 . 1 . . . . . . . . 4729 2 355 . 1 1 47 47 ILE HG22 H 1 0.62 0.015 . 1 . . . . . . . . 4729 2 356 . 1 1 47 47 ILE HG23 H 1 0.62 0.015 . 1 . . . . . . . . 4729 2 357 . 1 1 47 47 ILE HD11 H 1 0.49 0.015 . 1 . . . . . . . . 4729 2 358 . 1 1 47 47 ILE HD12 H 1 0.49 0.015 . 1 . . . . . . . . 4729 2 359 . 1 1 47 47 ILE HD13 H 1 0.49 0.015 . 1 . . . . . . . . 4729 2 360 . 1 1 47 47 ILE N N 15 128.00 0.015 . 1 . . . . . . . . 4729 2 361 . 1 1 47 47 ILE C C 13 174.26 0.015 . 1 . . . . . . . . 4729 2 362 . 1 1 48 48 ASP CA C 13 51.14 0.015 . 1 . . . . . . . . 4729 2 363 . 1 1 48 48 ASP CB C 13 39.20 0.015 . 1 . . . . . . . . 4729 2 364 . 1 1 48 48 ASP H H 1 8.95 0.015 . 1 . . . . . . . . 4729 2 365 . 1 1 48 48 ASP HA H 1 4.81 0.015 . 1 . . . . . . . . 4729 2 366 . 1 1 48 48 ASP HB2 H 1 2.88 0.015 . 1 . . . . . . . . 4729 2 367 . 1 1 48 48 ASP HB3 H 1 2.88 0.015 . 1 . . . . . . . . 4729 2 368 . 1 1 48 48 ASP N N 15 127.77 0.015 . 1 . . . . . . . . 4729 2 369 . 1 1 48 48 ASP C C 13 176.68 0.015 . 1 . . . . . . . . 4729 2 370 . 1 1 49 49 GLU CA C 13 61.88 0.015 . 1 . . . . . . . . 4729 2 371 . 1 1 49 49 GLU CB C 13 27.48 0.015 . 1 . . . . . . . . 4729 2 372 . 1 1 49 49 GLU H H 1 9.20 0.015 . 1 . . . . . . . . 4729 2 373 . 1 1 49 49 GLU HA H 1 3.32 0.015 . 1 . . . . . . . . 4729 2 374 . 1 1 49 49 GLU N N 15 125.99 0.015 . 1 . . . . . . . . 4729 2 375 . 1 1 49 49 GLU C C 13 178.36 0.015 . 1 . . . . . . . . 4729 2 376 . 1 1 50 50 CYS CA C 13 54.12 0.015 . 1 . . . . . . . . 4729 2 377 . 1 1 50 50 CYS CB C 13 33.77 0.015 . 1 . . . . . . . . 4729 2 378 . 1 1 50 50 CYS H H 1 7.72 0.015 . 1 . . . . . . . . 4729 2 379 . 1 1 50 50 CYS HA H 1 4.55 0.015 . 1 . . . . . . . . 4729 2 380 . 1 1 50 50 CYS HB2 H 1 3.29 0.015 . 1 . . . . . . . . 4729 2 381 . 1 1 50 50 CYS HB3 H 1 3.29 0.015 . 1 . . . . . . . . 4729 2 382 . 1 1 50 50 CYS N N 15 114.24 0.015 . 1 . . . . . . . . 4729 2 383 . 1 1 50 50 CYS C C 13 179.11 0.015 . 1 . . . . . . . . 4729 2 384 . 1 1 51 51 SER CA C 13 60.47 0.015 . 1 . . . . . . . . 4729 2 385 . 1 1 51 51 SER CB C 13 63.66 0.015 . 1 . . . . . . . . 4729 2 386 . 1 1 51 51 SER H H 1 7.53 0.015 . 1 . . . . . . . . 4729 2 387 . 1 1 51 51 SER HA H 1 4.37 0.015 . 1 . . . . . . . . 4729 2 388 . 1 1 51 51 SER HB2 H 1 3.88 0.015 . 1 . . . . . . . . 4729 2 389 . 1 1 51 51 SER HB3 H 1 3.88 0.015 . 1 . . . . . . . . 4729 2 390 . 1 1 51 51 SER N N 15 117.80 0.015 . 1 . . . . . . . . 4729 2 391 . 1 1 51 51 SER C C 13 174.34 0.015 . 1 . . . . . . . . 4729 2 392 . 1 1 52 52 GLU CA C 13 55.87 0.015 . 1 . . . . . . . . 4729 2 393 . 1 1 52 52 GLU CB C 13 29.24 0.015 . 1 . . . . . . . . 4729 2 394 . 1 1 52 52 GLU H H 1 7.05 0.015 . 1 . . . . . . . . 4729 2 395 . 1 1 52 52 GLU HA H 1 4.35 0.015 . 1 . . . . . . . . 4729 2 396 . 1 1 52 52 GLU HB2 H 1 1.56 0.015 . 2 . . . . . . . . 4729 2 397 . 1 1 52 52 GLU HB3 H 1 2.00 0.015 . 2 . . . . . . . . 4729 2 398 . 1 1 52 52 GLU N N 15 118.96 0.015 . 1 . . . . . . . . 4729 2 399 . 1 1 52 52 GLU C C 13 175.35 0.015 . 1 . . . . . . . . 4729 2 400 . 1 1 53 53 ASN CA C 13 54.71 0.015 . 1 . . . . . . . . 4729 2 401 . 1 1 53 53 ASN CB C 13 37.02 0.015 . 1 . . . . . . . . 4729 2 402 . 1 1 53 53 ASN H H 1 7.86 0.015 . 1 . . . . . . . . 4729 2 403 . 1 1 53 53 ASN HA H 1 4.54 0.015 . 1 . . . . . . . . 4729 2 404 . 1 1 53 53 ASN HB2 H 1 2.72 0.015 . 2 . . . . . . . . 4729 2 405 . 1 1 53 53 ASN HB3 H 1 2.98 0.015 . 2 . . . . . . . . 4729 2 406 . 1 1 53 53 ASN HD21 H 1 6.70 0.015 . 2 . . . . . . . . 4729 2 407 . 1 1 53 53 ASN HD22 H 1 7.43 0.015 . 2 . . . . . . . . 4729 2 408 . 1 1 53 53 ASN N N 15 114.18 0.015 . 1 . . . . . . . . 4729 2 409 . 1 1 53 53 ASN ND2 N 15 112.31 0.015 . 1 . . . . . . . . 4729 2 410 . 1 1 53 53 ASN C C 13 175.09 0.015 . 1 . . . . . . . . 4729 2 411 . 1 1 54 54 MET CA C 13 57.07 0.015 . 1 . . . . . . . . 4729 2 412 . 1 1 54 54 MET CB C 13 32.91 0.015 . 1 . . . . . . . . 4729 2 413 . 1 1 54 54 MET H H 1 7.29 0.015 . 1 . . . . . . . . 4729 2 414 . 1 1 54 54 MET HA H 1 4.26 0.015 . 1 . . . . . . . . 4729 2 415 . 1 1 54 54 MET HB2 H 1 2.07 0.015 . 2 . . . . . . . . 4729 2 416 . 1 1 54 54 MET HB3 H 1 2.17 0.015 . 2 . . . . . . . . 4729 2 417 . 1 1 54 54 MET HG2 H 1 1.80 0.015 . 1 . . . . . . . . 4729 2 418 . 1 1 54 54 MET HG3 H 1 1.80 0.015 . 1 . . . . . . . . 4729 2 419 . 1 1 54 54 MET HE1 H 1 1.48 0.015 . 1 . . . . . . . . 4729 2 420 . 1 1 54 54 MET HE2 H 1 1.48 0.015 . 1 . . . . . . . . 4729 2 421 . 1 1 54 54 MET HE3 H 1 1.48 0.015 . 1 . . . . . . . . 4729 2 422 . 1 1 54 54 MET N N 15 114.78 0.015 . 1 . . . . . . . . 4729 2 423 . 1 1 54 54 MET C C 13 176.43 0.015 . 1 . . . . . . . . 4729 2 424 . 1 1 55 55 CYS CA C 13 52.26 0.015 . 1 . . . . . . . . 4729 2 425 . 1 1 55 55 CYS CB C 13 38.73 0.015 . 1 . . . . . . . . 4729 2 426 . 1 1 55 55 CYS H H 1 8.00 0.015 . 1 . . . . . . . . 4729 2 427 . 1 1 55 55 CYS HA H 1 4.93 0.015 . 1 . . . . . . . . 4729 2 428 . 1 1 55 55 CYS HB2 H 1 2.33 0.015 . 2 . . . . . . . . 4729 2 429 . 1 1 55 55 CYS HB3 H 1 3.56 0.015 . 2 . . . . . . . . 4729 2 430 . 1 1 55 55 CYS N N 15 115.61 0.015 . 1 . . . . . . . . 4729 2 431 . 1 1 55 55 CYS C C 13 174.90 0.015 . 1 . . . . . . . . 4729 2 432 . 1 1 56 56 ALA H H 1 8.01 0.015 . 1 . . . . . . . . 4729 2 433 . 1 1 56 56 ALA HA H 1 4.12 0.015 . 1 . . . . . . . . 4729 2 434 . 1 1 56 56 ALA HB1 H 1 1.52 0.015 . 1 . . . . . . . . 4729 2 435 . 1 1 56 56 ALA HB2 H 1 1.52 0.015 . 1 . . . . . . . . 4729 2 436 . 1 1 56 56 ALA HB3 H 1 1.52 0.015 . 1 . . . . . . . . 4729 2 437 . 1 1 56 56 ALA N N 15 124.21 0.015 . 1 . . . . . . . . 4729 2 438 . 1 1 56 56 ALA C C 13 178.92 0.015 . 1 . . . . . . . . 4729 2 439 . 1 1 57 57 GLN CA C 13 56.33 0.015 . 4 . . . . . . . . 4729 2 440 . 1 1 57 57 GLN CB C 13 29.66 0.015 . 4 . . . . . . . . 4729 2 441 . 1 1 57 57 GLN H H 1 8.65 0.015 . 4 . . . . . . . . 4729 2 442 . 1 1 57 57 GLN HA H 1 4.50 0.015 . 4 . . . . . . . . 4729 2 443 . 1 1 57 57 GLN HB2 H 1 2.11 0.015 . 4 . . . . . . . . 4729 2 444 . 1 1 57 57 GLN HB3 H 1 2.11 0.015 . 4 . . . . . . . . 4729 2 445 . 1 1 57 57 GLN N N 15 115.91 0.015 . 4 . . . . . . . . 4729 2 446 . 1 1 57 57 GLN C C 13 174.34 0.015 . 4 . . . . . . . . 4729 2 447 . 1 1 58 58 LEU CA C 13 55.11 0.015 . 4 . . . . . . . . 4729 2 448 . 1 1 58 58 LEU CB C 13 43.33 0.015 . 4 . . . . . . . . 4729 2 449 . 1 1 58 58 LEU H H 1 7.34 0.015 . 4 . . . . . . . . 4729 2 450 . 1 1 58 58 LEU HA H 1 4.50 0.015 . 4 . . . . . . . . 4729 2 451 . 1 1 58 58 LEU HB2 H 1 1.44 0.015 . 4 . . . . . . . . 4729 2 452 . 1 1 58 58 LEU HB3 H 1 1.44 0.015 . 4 . . . . . . . . 4729 2 453 . 1 1 58 58 LEU HG H 1 1.30 0.015 . 4 . . . . . . . . 4729 2 454 . 1 1 58 58 LEU HD11 H 1 0.76 0.015 . 4 . . . . . . . . 4729 2 455 . 1 1 58 58 LEU HD12 H 1 0.76 0.015 . 4 . . . . . . . . 4729 2 456 . 1 1 58 58 LEU HD13 H 1 0.76 0.015 . 4 . . . . . . . . 4729 2 457 . 1 1 58 58 LEU HD21 H 1 1.08 0.015 . 4 . . . . . . . . 4729 2 458 . 1 1 58 58 LEU HD22 H 1 1.08 0.015 . 4 . . . . . . . . 4729 2 459 . 1 1 58 58 LEU HD23 H 1 1.08 0.015 . 4 . . . . . . . . 4729 2 460 . 1 1 58 58 LEU N N 15 122.28 0.015 . 4 . . . . . . . . 4729 2 461 . 1 1 58 58 LEU C C 13 174.92 0.015 . 4 . . . . . . . . 4729 2 462 . 1 1 59 59 CYS CA C 13 55.84 0.015 . 1 . . . . . . . . 4729 2 463 . 1 1 59 59 CYS CB C 13 41.77 0.015 . 1 . . . . . . . . 4729 2 464 . 1 1 59 59 CYS H H 1 8.19 0.015 . 1 . . . . . . . . 4729 2 465 . 1 1 59 59 CYS HA H 1 5.63 0.015 . 1 . . . . . . . . 4729 2 466 . 1 1 59 59 CYS HB2 H 1 2.81 0.015 . 1 . . . . . . . . 4729 2 467 . 1 1 59 59 CYS HB3 H 1 2.81 0.015 . 1 . . . . . . . . 4729 2 468 . 1 1 59 59 CYS N N 15 121.07 0.015 . 1 . . . . . . . . 4729 2 469 . 1 1 59 59 CYS C C 13 173.59 0.015 . 1 . . . . . . . . 4729 2 470 . 1 1 60 60 VAL CA C 13 62.41 0.015 . 1 . . . . . . . . 4729 2 471 . 1 1 60 60 VAL CB C 13 35.45 0.015 . 1 . . . . . . . . 4729 2 472 . 1 1 60 60 VAL H H 1 9.49 0.015 . 1 . . . . . . . . 4729 2 473 . 1 1 60 60 VAL HA H 1 4.48 0.015 . 1 . . . . . . . . 4729 2 474 . 1 1 60 60 VAL HB H 1 2.22 0.015 . 1 . . . . . . . . 4729 2 475 . 1 1 60 60 VAL HG11 H 1 1.07 0.015 . 1 . . . . . . . . 4729 2 476 . 1 1 60 60 VAL HG12 H 1 1.07 0.015 . 1 . . . . . . . . 4729 2 477 . 1 1 60 60 VAL HG13 H 1 1.07 0.015 . 1 . . . . . . . . 4729 2 478 . 1 1 60 60 VAL HG21 H 1 1.07 0.015 . 1 . . . . . . . . 4729 2 479 . 1 1 60 60 VAL HG22 H 1 1.07 0.015 . 1 . . . . . . . . 4729 2 480 . 1 1 60 60 VAL HG23 H 1 1.07 0.015 . 1 . . . . . . . . 4729 2 481 . 1 1 60 60 VAL N N 15 130.13 0.015 . 1 . . . . . . . . 4729 2 482 . 1 1 60 60 VAL C C 13 173.92 0.015 . 1 . . . . . . . . 4729 2 483 . 1 1 61 61 ASN CA C 13 53.23 0.015 . 4 . . . . . . . . 4729 2 484 . 1 1 61 61 ASN CB C 13 41.72 0.015 . 4 . . . . . . . . 4729 2 485 . 1 1 61 61 ASN H H 1 9.00 0.015 . 4 . . . . . . . . 4729 2 486 . 1 1 61 61 ASN HA H 1 5.07 0.015 . 4 . . . . . . . . 4729 2 487 . 1 1 61 61 ASN HB2 H 1 2.66 0.015 . 4 . . . . . . . . 4729 2 488 . 1 1 61 61 ASN HB3 H 1 2.66 0.015 . 4 . . . . . . . . 4729 2 489 . 1 1 61 61 ASN N N 15 125.26 0.015 . 4 . . . . . . . . 4729 2 490 . 1 1 61 61 ASN C C 13 173.78 0.015 . 4 . . . . . . . . 4729 2 491 . 1 1 62 62 TYR CA C 13 56.24 0.015 . 4 . . . . . . . . 4729 2 492 . 1 1 62 62 TYR CB C 13 37.74 0.015 . 4 . . . . . . . . 4729 2 493 . 1 1 62 62 TYR H H 1 7.37 0.015 . 4 . . . . . . . . 4729 2 494 . 1 1 62 62 TYR HB2 H 1 2.96 0.015 . 4 . . . . . . . . 4729 2 495 . 1 1 62 62 TYR HB3 H 1 2.96 0.015 . 4 . . . . . . . . 4729 2 496 . 1 1 62 62 TYR HD1 H 1 6.67 0.015 . 4 . . . . . . . . 4729 2 497 . 1 1 62 62 TYR HD2 H 1 6.67 0.015 . 4 . . . . . . . . 4729 2 498 . 1 1 62 62 TYR N N 15 120.89 0.015 . 4 . . . . . . . . 4729 2 499 . 1 1 63 63 PRO CA C 13 64.16 0.015 . 1 . . . . . . . . 4729 2 500 . 1 1 63 63 PRO CB C 13 31.46 0.015 . 1 . . . . . . . . 4729 2 501 . 1 1 63 63 PRO HA H 1 4.15 0.015 . 1 . . . . . . . . 4729 2 502 . 1 1 63 63 PRO HD2 H 1 3.78 0.015 . 1 . . . . . . . . 4729 2 503 . 1 1 63 63 PRO HD3 H 1 3.78 0.015 . 1 . . . . . . . . 4729 2 504 . 1 1 63 63 PRO C C 13 176.85 0.015 . 1 . . . . . . . . 4729 2 505 . 1 1 64 64 GLY CA C 13 47.02 0.015 . 1 . . . . . . . . 4729 2 506 . 1 1 64 64 GLY H H 1 8.57 0.015 . 1 . . . . . . . . 4729 2 507 . 1 1 64 64 GLY HA2 H 1 3.27 0.015 . 2 . . . . . . . . 4729 2 508 . 1 1 64 64 GLY HA3 H 1 4.39 0.015 . 2 . . . . . . . . 4729 2 509 . 1 1 64 64 GLY N N 15 116.11 0.015 . 1 . . . . . . . . 4729 2 510 . 1 1 64 64 GLY C C 13 174.38 0.015 . 1 . . . . . . . . 4729 2 511 . 1 1 65 65 GLY CA C 13 46.30 0.015 . 1 . . . . . . . . 4729 2 512 . 1 1 65 65 GLY H H 1 6.75 0.015 . 1 . . . . . . . . 4729 2 513 . 1 1 65 65 GLY HA2 H 1 3.61 0.015 . 2 . . . . . . . . 4729 2 514 . 1 1 65 65 GLY HA3 H 1 4.20 0.015 . 2 . . . . . . . . 4729 2 515 . 1 1 65 65 GLY N N 15 108.41 0.015 . 1 . . . . . . . . 4729 2 516 . 1 1 65 65 GLY C C 13 173.53 0.015 . 1 . . . . . . . . 4729 2 517 . 1 1 66 66 TYR CA C 13 57.50 0.015 . 1 . . . . . . . . 4729 2 518 . 1 1 66 66 TYR CB C 13 38.37 0.015 . 1 . . . . . . . . 4729 2 519 . 1 1 66 66 TYR H H 1 7.50 0.015 . 1 . . . . . . . . 4729 2 520 . 1 1 66 66 TYR HA H 1 4.75 0.015 . 1 . . . . . . . . 4729 2 521 . 1 1 66 66 TYR HB2 H 1 3.78 0.015 . 1 . . . . . . . . 4729 2 522 . 1 1 66 66 TYR HB3 H 1 3.78 0.015 . 1 . . . . . . . . 4729 2 523 . 1 1 66 66 TYR HD1 H 1 6.66 0.015 . 1 . . . . . . . . 4729 2 524 . 1 1 66 66 TYR HD2 H 1 6.66 0.015 . 1 . . . . . . . . 4729 2 525 . 1 1 66 66 TYR N N 15 118.36 0.015 . 1 . . . . . . . . 4729 2 526 . 1 1 66 66 TYR C C 13 173.18 0.015 . 1 . . . . . . . . 4729 2 527 . 1 1 67 67 THR CA C 13 62.68 0.015 . 1 . . . . . . . . 4729 2 528 . 1 1 67 67 THR CB C 13 72.75 0.015 . 1 . . . . . . . . 4729 2 529 . 1 1 67 67 THR H H 1 9.22 0.015 . 1 . . . . . . . . 4729 2 530 . 1 1 67 67 THR HA H 1 4.29 0.015 . 1 . . . . . . . . 4729 2 531 . 1 1 67 67 THR HB H 1 3.86 0.015 . 1 . . . . . . . . 4729 2 532 . 1 1 67 67 THR HG21 H 1 1.03 0.015 . 1 . . . . . . . . 4729 2 533 . 1 1 67 67 THR HG22 H 1 1.03 0.015 . 1 . . . . . . . . 4729 2 534 . 1 1 67 67 THR HG23 H 1 1.03 0.015 . 1 . . . . . . . . 4729 2 535 . 1 1 67 67 THR N N 15 116.54 0.015 . 1 . . . . . . . . 4729 2 536 . 1 1 67 67 THR C C 13 172.60 0.015 . 1 . . . . . . . . 4729 2 537 . 1 1 68 68 CYS CA C 13 51.90 0.015 . 1 . . . . . . . . 4729 2 538 . 1 1 68 68 CYS CB C 13 37.44 0.015 . 1 . . . . . . . . 4729 2 539 . 1 1 68 68 CYS H H 1 8.71 0.015 . 1 . . . . . . . . 4729 2 540 . 1 1 68 68 CYS HA H 1 5.78 0.015 . 1 . . . . . . . . 4729 2 541 . 1 1 68 68 CYS HB2 H 1 2.85 0.015 . 2 . . . . . . . . 4729 2 542 . 1 1 68 68 CYS HB3 H 1 3.63 0.015 . 2 . . . . . . . . 4729 2 543 . 1 1 68 68 CYS N N 15 123.56 0.015 . 1 . . . . . . . . 4729 2 544 . 1 1 68 68 CYS C C 13 173.84 0.015 . 1 . . . . . . . . 4729 2 545 . 1 1 69 69 TYR CA C 13 57.32 0.015 . 1 . . . . . . . . 4729 2 546 . 1 1 69 69 TYR H H 1 8.60 0.015 . 1 . . . . . . . . 4729 2 547 . 1 1 69 69 TYR HA H 1 4.80 0.015 . 1 . . . . . . . . 4729 2 548 . 1 1 69 69 TYR HB2 H 1 2.79 0.015 . 2 . . . . . . . . 4729 2 549 . 1 1 69 69 TYR HB3 H 1 3.14 0.015 . 2 . . . . . . . . 4729 2 550 . 1 1 69 69 TYR HD1 H 1 6.99 0.015 . 1 . . . . . . . . 4729 2 551 . 1 1 69 69 TYR HD2 H 1 6.99 0.015 . 1 . . . . . . . . 4729 2 552 . 1 1 69 69 TYR N N 15 116.14 0.015 . 1 . . . . . . . . 4729 2 553 . 1 1 69 69 TYR C C 13 175.17 0.015 . 1 . . . . . . . . 4729 2 554 . 1 1 70 70 CYS CA C 13 54.40 0.015 . 1 . . . . . . . . 4729 2 555 . 1 1 70 70 CYS CB C 13 45.19 0.015 . 1 . . . . . . . . 4729 2 556 . 1 1 70 70 CYS H H 1 8.92 0.015 . 1 . . . . . . . . 4729 2 557 . 1 1 70 70 CYS HA H 1 4.98 0.015 . 1 . . . . . . . . 4729 2 558 . 1 1 70 70 CYS HB2 H 1 2.55 0.015 . 1 . . . . . . . . 4729 2 559 . 1 1 70 70 CYS HB3 H 1 2.55 0.015 . 1 . . . . . . . . 4729 2 560 . 1 1 70 70 CYS N N 15 119.19 0.015 . 1 . . . . . . . . 4729 2 561 . 1 1 70 70 CYS C C 13 173.47 0.015 . 1 . . . . . . . . 4729 2 562 . 1 1 71 71 ASP CA C 13 54.07 0.015 . 1 . . . . . . . . 4729 2 563 . 1 1 71 71 ASP H H 1 8.64 0.015 . 1 . . . . . . . . 4729 2 564 . 1 1 71 71 ASP HA H 1 4.67 0.015 . 1 . . . . . . . . 4729 2 565 . 1 1 71 71 ASP HB2 H 1 2.45 0.015 . 2 . . . . . . . . 4729 2 566 . 1 1 71 71 ASP HB3 H 1 3.04 0.015 . 2 . . . . . . . . 4729 2 567 . 1 1 71 71 ASP N N 15 119.70 0.015 . 1 . . . . . . . . 4729 2 568 . 1 1 71 71 ASP C C 13 177.07 0.015 . 1 . . . . . . . . 4729 2 569 . 1 1 72 72 GLY CA C 13 47.31 0.015 . 1 . . . . . . . . 4729 2 570 . 1 1 72 72 GLY H H 1 8.63 0.015 . 1 . . . . . . . . 4729 2 571 . 1 1 72 72 GLY HA2 H 1 4.28 0.015 . 1 . . . . . . . . 4729 2 572 . 1 1 72 72 GLY HA3 H 1 4.28 0.015 . 1 . . . . . . . . 4729 2 573 . 1 1 72 72 GLY N N 15 116.20 0.015 . 1 . . . . . . . . 4729 2 574 . 1 1 72 72 GLY C C 13 177.70 0.015 . 1 . . . . . . . . 4729 2 575 . 1 1 73 73 LYS CA C 13 58.70 0.015 . 1 . . . . . . . . 4729 2 576 . 1 1 73 73 LYS CB C 13 31.99 0.015 . 1 . . . . . . . . 4729 2 577 . 1 1 73 73 LYS H H 1 8.38 0.015 . 1 . . . . . . . . 4729 2 578 . 1 1 73 73 LYS HA H 1 4.24 0.015 . 1 . . . . . . . . 4729 2 579 . 1 1 73 73 LYS HB2 H 1 2.09 0.015 . 1 . . . . . . . . 4729 2 580 . 1 1 73 73 LYS HB3 H 1 2.09 0.015 . 1 . . . . . . . . 4729 2 581 . 1 1 73 73 LYS HG2 H 1 1.53 0.015 . 1 . . . . . . . . 4729 2 582 . 1 1 73 73 LYS HG3 H 1 1.53 0.015 . 1 . . . . . . . . 4729 2 583 . 1 1 73 73 LYS HD2 H 1 1.93 0.015 . 1 . . . . . . . . 4729 2 584 . 1 1 73 73 LYS HD3 H 1 1.93 0.015 . 1 . . . . . . . . 4729 2 585 . 1 1 73 73 LYS N N 15 121.73 0.015 . 1 . . . . . . . . 4729 2 586 . 1 1 73 73 LYS C C 13 178.38 0.015 . 1 . . . . . . . . 4729 2 587 . 1 1 74 74 LYS CA C 13 55.94 0.015 . 1 . . . . . . . . 4729 2 588 . 1 1 74 74 LYS H H 1 7.33 0.015 . 1 . . . . . . . . 4729 2 589 . 1 1 74 74 LYS HA H 1 4.43 0.015 . 1 . . . . . . . . 4729 2 590 . 1 1 74 74 LYS HB2 H 1 2.29 0.015 . 1 . . . . . . . . 4729 2 591 . 1 1 74 74 LYS HB3 H 1 2.29 0.015 . 1 . . . . . . . . 4729 2 592 . 1 1 74 74 LYS HG2 H 1 1.37 0.015 . 1 . . . . . . . . 4729 2 593 . 1 1 74 74 LYS HG3 H 1 1.37 0.015 . 1 . . . . . . . . 4729 2 594 . 1 1 74 74 LYS HD2 H 1 1.79 0.015 . 1 . . . . . . . . 4729 2 595 . 1 1 74 74 LYS HD3 H 1 1.79 0.015 . 1 . . . . . . . . 4729 2 596 . 1 1 74 74 LYS N N 15 117.00 0.015 . 1 . . . . . . . . 4729 2 597 . 1 1 74 74 LYS C C 13 175.85 0.015 . 1 . . . . . . . . 4729 2 598 . 1 1 75 75 GLY CA C 13 46.08 0.015 . 1 . . . . . . . . 4729 2 599 . 1 1 75 75 GLY H H 1 7.63 0.015 . 1 . . . . . . . . 4729 2 600 . 1 1 75 75 GLY HA2 H 1 3.68 0.015 . 2 . . . . . . . . 4729 2 601 . 1 1 75 75 GLY HA3 H 1 4.00 0.015 . 2 . . . . . . . . 4729 2 602 . 1 1 75 75 GLY N N 15 105.23 0.015 . 1 . . . . . . . . 4729 2 603 . 1 1 75 75 GLY C C 13 173.51 0.015 . 1 . . . . . . . . 4729 2 604 . 1 1 76 76 PHE CA C 13 57.37 0.015 . 1 . . . . . . . . 4729 2 605 . 1 1 76 76 PHE CB C 13 43.44 0.015 . 1 . . . . . . . . 4729 2 606 . 1 1 76 76 PHE H H 1 7.45 0.015 . 1 . . . . . . . . 4729 2 607 . 1 1 76 76 PHE HA H 1 5.31 0.015 . 1 . . . . . . . . 4729 2 608 . 1 1 76 76 PHE HB2 H 1 2.77 0.015 . 1 . . . . . . . . 4729 2 609 . 1 1 76 76 PHE HB3 H 1 2.77 0.015 . 1 . . . . . . . . 4729 2 610 . 1 1 76 76 PHE HD1 H 1 7.08 0.015 . 1 . . . . . . . . 4729 2 611 . 1 1 76 76 PHE HD2 H 1 7.08 0.015 . 1 . . . . . . . . 4729 2 612 . 1 1 76 76 PHE N N 15 116.08 0.015 . 1 . . . . . . . . 4729 2 613 . 1 1 76 76 PHE C C 13 175.29 0.015 . 1 . . . . . . . . 4729 2 614 . 1 1 77 77 LYS CA C 13 54.69 0.015 . 1 . . . . . . . . 4729 2 615 . 1 1 77 77 LYS H H 1 9.26 0.015 . 1 . . . . . . . . 4729 2 616 . 1 1 77 77 LYS HA H 1 4.60 0.015 . 1 . . . . . . . . 4729 2 617 . 1 1 77 77 LYS HB2 H 1 1.69 0.015 . 2 . . . . . . . . 4729 2 618 . 1 1 77 77 LYS HB3 H 1 1.79 0.015 . 2 . . . . . . . . 4729 2 619 . 1 1 77 77 LYS HG2 H 1 0.81 0.015 . 1 . . . . . . . . 4729 2 620 . 1 1 77 77 LYS HG3 H 1 0.81 0.015 . 1 . . . . . . . . 4729 2 621 . 1 1 77 77 LYS HD2 H 1 1.33 0.015 . 1 . . . . . . . . 4729 2 622 . 1 1 77 77 LYS HD3 H 1 1.33 0.015 . 1 . . . . . . . . 4729 2 623 . 1 1 77 77 LYS N N 15 118.90 0.015 . 1 . . . . . . . . 4729 2 624 . 1 1 77 77 LYS C C 13 174.42 0.015 . 1 . . . . . . . . 4729 2 625 . 1 1 78 78 LEU CA C 13 56.47 0.015 . 1 . . . . . . . . 4729 2 626 . 1 1 78 78 LEU CB C 13 43.62 0.015 . 1 . . . . . . . . 4729 2 627 . 1 1 78 78 LEU H H 1 8.45 0.015 . 1 . . . . . . . . 4729 2 628 . 1 1 78 78 LEU HA H 1 4.71 0.015 . 1 . . . . . . . . 4729 2 629 . 1 1 78 78 LEU HB2 H 1 1.76 0.015 . 1 . . . . . . . . 4729 2 630 . 1 1 78 78 LEU HB3 H 1 1.76 0.015 . 1 . . . . . . . . 4729 2 631 . 1 1 78 78 LEU HG H 1 1.32 0.015 . 1 . . . . . . . . 4729 2 632 . 1 1 78 78 LEU HD11 H 1 0.71 0.015 . 2 . . . . . . . . 4729 2 633 . 1 1 78 78 LEU HD12 H 1 0.71 0.015 . 2 . . . . . . . . 4729 2 634 . 1 1 78 78 LEU HD13 H 1 0.71 0.015 . 2 . . . . . . . . 4729 2 635 . 1 1 78 78 LEU HD21 H 1 0.76 0.015 . 2 . . . . . . . . 4729 2 636 . 1 1 78 78 LEU HD22 H 1 0.76 0.015 . 2 . . . . . . . . 4729 2 637 . 1 1 78 78 LEU HD23 H 1 0.76 0.015 . 2 . . . . . . . . 4729 2 638 . 1 1 78 78 LEU N N 15 125.33 0.015 . 1 . . . . . . . . 4729 2 639 . 1 1 78 78 LEU C C 13 177.14 0.015 . 1 . . . . . . . . 4729 2 640 . 1 1 79 79 ALA CA C 13 51.81 0.015 . 1 . . . . . . . . 4729 2 641 . 1 1 79 79 ALA CB C 13 21.12 0.015 . 1 . . . . . . . . 4729 2 642 . 1 1 79 79 ALA H H 1 8.55 0.015 . 1 . . . . . . . . 4729 2 643 . 1 1 79 79 ALA HA H 1 4.39 0.015 . 1 . . . . . . . . 4729 2 644 . 1 1 79 79 ALA HB1 H 1 1.45 0.015 . 1 . . . . . . . . 4729 2 645 . 1 1 79 79 ALA HB2 H 1 1.45 0.015 . 1 . . . . . . . . 4729 2 646 . 1 1 79 79 ALA HB3 H 1 1.45 0.015 . 1 . . . . . . . . 4729 2 647 . 1 1 79 79 ALA N N 15 128.38 0.015 . 1 . . . . . . . . 4729 2 648 . 1 1 79 79 ALA C C 13 178.61 0.015 . 1 . . . . . . . . 4729 2 649 . 1 1 80 80 GLN CA C 13 58.77 0.015 . 1 . . . . . . . . 4729 2 650 . 1 1 80 80 GLN CB C 13 28.79 0.015 . 1 . . . . . . . . 4729 2 651 . 1 1 80 80 GLN H H 1 8.71 0.015 . 1 . . . . . . . . 4729 2 652 . 1 1 80 80 GLN HA H 1 4.04 0.015 . 1 . . . . . . . . 4729 2 653 . 1 1 80 80 GLN HB2 H 1 2.38 0.015 . 2 . . . . . . . . 4729 2 654 . 1 1 80 80 GLN HB3 H 1 2.46 0.015 . 2 . . . . . . . . 4729 2 655 . 1 1 80 80 GLN HG2 H 1 2.12 0.015 . 1 . . . . . . . . 4729 2 656 . 1 1 80 80 GLN HG3 H 1 2.12 0.015 . 1 . . . . . . . . 4729 2 657 . 1 1 80 80 GLN N N 15 119.40 0.015 . 1 . . . . . . . . 4729 2 658 . 1 1 80 80 GLN C C 13 176.60 0.015 . 1 . . . . . . . . 4729 2 659 . 1 1 81 81 ASP CA C 13 54.59 0.015 . 1 . . . . . . . . 4729 2 660 . 1 1 81 81 ASP CB C 13 40.22 0.015 . 1 . . . . . . . . 4729 2 661 . 1 1 81 81 ASP H H 1 7.62 0.015 . 1 . . . . . . . . 4729 2 662 . 1 1 81 81 ASP HA H 1 4.37 0.015 . 1 . . . . . . . . 4729 2 663 . 1 1 81 81 ASP HB2 H 1 2.68 0.015 . 2 . . . . . . . . 4729 2 664 . 1 1 81 81 ASP HB3 H 1 3.04 0.015 . 2 . . . . . . . . 4729 2 665 . 1 1 81 81 ASP N N 15 116.32 0.015 . 1 . . . . . . . . 4729 2 666 . 1 1 81 81 ASP C C 13 176.31 0.015 . 1 . . . . . . . . 4729 2 667 . 1 1 82 82 GLN CA C 13 57.67 0.015 . 1 . . . . . . . . 4729 2 668 . 1 1 82 82 GLN H H 1 8.24 0.015 . 1 . . . . . . . . 4729 2 669 . 1 1 82 82 GLN HA H 1 3.72 0.015 . 1 . . . . . . . . 4729 2 670 . 1 1 82 82 GLN HB2 H 1 2.28 0.015 . 2 . . . . . . . . 4729 2 671 . 1 1 82 82 GLN HB3 H 1 2.41 0.015 . 2 . . . . . . . . 4729 2 672 . 1 1 82 82 GLN HG2 H 1 1.79 0.015 . 1 . . . . . . . . 4729 2 673 . 1 1 82 82 GLN HG3 H 1 1.79 0.015 . 1 . . . . . . . . 4729 2 674 . 1 1 82 82 GLN N N 15 111.65 0.015 . 1 . . . . . . . . 4729 2 675 . 1 1 82 82 GLN C C 13 174.63 0.015 . 1 . . . . . . . . 4729 2 676 . 1 1 83 83 LYS CA C 13 58.32 0.015 . 1 . . . . . . . . 4729 2 677 . 1 1 83 83 LYS CB C 13 37.13 0.015 . 1 . . . . . . . . 4729 2 678 . 1 1 83 83 LYS H H 1 8.47 0.015 . 1 . . . . . . . . 4729 2 679 . 1 1 83 83 LYS HA H 1 4.76 0.015 . 1 . . . . . . . . 4729 2 680 . 1 1 83 83 LYS HB2 H 1 2.02 0.015 . 1 . . . . . . . . 4729 2 681 . 1 1 83 83 LYS HB3 H 1 2.02 0.015 . 1 . . . . . . . . 4729 2 682 . 1 1 83 83 LYS HG2 H 1 1.41 0.015 . 1 . . . . . . . . 4729 2 683 . 1 1 83 83 LYS HG3 H 1 1.41 0.015 . 1 . . . . . . . . 4729 2 684 . 1 1 83 83 LYS HD2 H 1 1.59 0.015 . 1 . . . . . . . . 4729 2 685 . 1 1 83 83 LYS HD3 H 1 1.59 0.015 . 1 . . . . . . . . 4729 2 686 . 1 1 83 83 LYS N N 15 117.81 0.015 . 1 . . . . . . . . 4729 2 687 . 1 1 84 84 SER CA C 13 58.81 0.015 . 1 . . . . . . . . 4729 2 688 . 1 1 84 84 SER H H 1 9.69 0.015 . 1 . . . . . . . . 4729 2 689 . 1 1 84 84 SER HA H 1 4.49 0.015 . 1 . . . . . . . . 4729 2 690 . 1 1 84 84 SER HB2 H 1 3.92 0.015 . 1 . . . . . . . . 4729 2 691 . 1 1 84 84 SER HB3 H 1 3.92 0.015 . 1 . . . . . . . . 4729 2 692 . 1 1 84 84 SER C C 13 172.50 0.015 . 1 . . . . . . . . 4729 2 693 . 1 1 85 85 CYS CA C 13 53.73 0.015 . 1 . . . . . . . . 4729 2 694 . 1 1 85 85 CYS CB C 13 44.21 0.015 . 1 . . . . . . . . 4729 2 695 . 1 1 85 85 CYS H H 1 8.37 0.015 . 1 . . . . . . . . 4729 2 696 . 1 1 85 85 CYS HA H 1 5.50 0.015 . 1 . . . . . . . . 4729 2 697 . 1 1 85 85 CYS HB2 H 1 2.52 0.015 . 2 . . . . . . . . 4729 2 698 . 1 1 85 85 CYS HB3 H 1 2.69 0.015 . 2 . . . . . . . . 4729 2 699 . 1 1 85 85 CYS N N 15 117.67 0.015 . 1 . . . . . . . . 4729 2 700 . 1 1 85 85 CYS C C 13 174.01 0.015 . 1 . . . . . . . . 4729 2 701 . 1 1 86 86 GLU CA C 13 54.53 0.015 . 1 . . . . . . . . 4729 2 702 . 1 1 86 86 GLU H H 1 9.45 0.015 . 1 . . . . . . . . 4729 2 703 . 1 1 86 86 GLU HA H 1 4.88 0.015 . 1 . . . . . . . . 4729 2 704 . 1 1 86 86 GLU HB2 H 1 1.98 0.015 . 1 . . . . . . . . 4729 2 705 . 1 1 86 86 GLU HB3 H 1 1.98 0.015 . 1 . . . . . . . . 4729 2 706 . 1 1 86 86 GLU HG2 H 1 2.15 0.015 . 1 . . . . . . . . 4729 2 707 . 1 1 86 86 GLU HG3 H 1 2.15 0.015 . 1 . . . . . . . . 4729 2 708 . 1 1 86 86 GLU N N 15 123.08 0.015 . 1 . . . . . . . . 4729 2 709 . 1 1 86 86 GLU C C 13 175.25 0.015 . 1 . . . . . . . . 4729 2 710 . 1 1 87 87 VAL CA C 13 62.70 0.015 . 1 . . . . . . . . 4729 2 711 . 1 1 87 87 VAL CB C 13 33.01 0.015 . 1 . . . . . . . . 4729 2 712 . 1 1 87 87 VAL H H 1 8.51 0.015 . 1 . . . . . . . . 4729 2 713 . 1 1 87 87 VAL HA H 1 4.13 0.015 . 1 . . . . . . . . 4729 2 714 . 1 1 87 87 VAL HB H 1 1.91 0.015 . 1 . . . . . . . . 4729 2 715 . 1 1 87 87 VAL HG11 H 1 0.79 0.015 . 1 . . . . . . . . 4729 2 716 . 1 1 87 87 VAL HG12 H 1 0.79 0.015 . 1 . . . . . . . . 4729 2 717 . 1 1 87 87 VAL HG13 H 1 0.79 0.015 . 1 . . . . . . . . 4729 2 718 . 1 1 87 87 VAL HG21 H 1 0.79 0.015 . 1 . . . . . . . . 4729 2 719 . 1 1 87 87 VAL HG22 H 1 0.79 0.015 . 1 . . . . . . . . 4729 2 720 . 1 1 87 87 VAL HG23 H 1 0.79 0.015 . 1 . . . . . . . . 4729 2 721 . 1 1 87 87 VAL N N 15 121.75 0.015 . 1 . . . . . . . . 4729 2 722 . 1 1 87 87 VAL C C 13 176.62 0.015 . 1 . . . . . . . . 4729 2 723 . 1 1 88 88 VAL CA C 13 62.96 0.015 . 1 . . . . . . . . 4729 2 724 . 1 1 88 88 VAL CB C 13 33.12 0.015 . 1 . . . . . . . . 4729 2 725 . 1 1 88 88 VAL H H 1 8.12 0.015 . 1 . . . . . . . . 4729 2 726 . 1 1 88 88 VAL HA H 1 4.02 0.015 . 1 . . . . . . . . 4729 2 727 . 1 1 88 88 VAL HB H 1 1.96 0.015 . 1 . . . . . . . . 4729 2 728 . 1 1 88 88 VAL HG11 H 1 0.86 0.015 . 1 . . . . . . . . 4729 2 729 . 1 1 88 88 VAL HG12 H 1 0.86 0.015 . 1 . . . . . . . . 4729 2 730 . 1 1 88 88 VAL HG13 H 1 0.86 0.015 . 1 . . . . . . . . 4729 2 731 . 1 1 88 88 VAL HG21 H 1 0.86 0.015 . 1 . . . . . . . . 4729 2 732 . 1 1 88 88 VAL HG22 H 1 0.86 0.015 . 1 . . . . . . . . 4729 2 733 . 1 1 88 88 VAL HG23 H 1 0.86 0.015 . 1 . . . . . . . . 4729 2 734 . 1 1 88 88 VAL N N 15 124.97 0.015 . 1 . . . . . . . . 4729 2 735 . 1 1 88 88 VAL C C 13 175.21 0.015 . 1 . . . . . . . . 4729 2 736 . 1 1 89 89 SER CA C 13 60.14 0.015 . 1 . . . . . . . . 4729 2 737 . 1 1 89 89 SER CB C 13 65.22 0.015 . 1 . . . . . . . . 4729 2 738 . 1 1 89 89 SER H H 1 7.83 0.015 . 1 . . . . . . . . 4729 2 739 . 1 1 89 89 SER HA H 1 4.25 0.015 . 1 . . . . . . . . 4729 2 740 . 1 1 89 89 SER HB2 H 1 3.80 0.015 . 1 . . . . . . . . 4729 2 741 . 1 1 89 89 SER HB3 H 1 3.80 0.015 . 1 . . . . . . . . 4729 2 742 . 1 1 89 89 SER N N 15 125.25 0.015 . 1 . . . . . . . . 4729 2 stop_ save_