data_7399 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7399 _Entry.Title ; Solution structure of rhodostomin D51E mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-29 _Entry.Accession_date 2007-08-30 _Entry.Last_release_date 2009-10-12 _Entry.Original_release_date 2009-10-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 W. Chuang W. -J. . 7399 2 Y. Chen Y. -C. . 7399 3 C. Chen C. -Y. . 7399 4 L. Chou L. -J. . 7399 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID disintegrin . 7399 rhodostomin . 7399 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7399 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 67 7399 '1H chemical shifts' 382 7399 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 . . 2009-10-12 2007-06-29 original author . 7399 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7400 'rhodostomin P48A mutant' 7399 PDB 2PJG 'BMRB Entry Tracking System' 7399 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 7399 _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 'Effect of D to E Mutation of RGD Motif in Rhodostomin on its Activity, Structure, and Dynamics' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 W. Chuang W. J. . 7399 1 2 Y. Chen Y. C. . 7399 1 3 C. Chen C. Y. . 7399 1 4 L. Chou L. J. . 7399 1 5 R. Guo R. T. . 7399 1 6 W. Jeng W. Y. . 7399 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7399 _Assembly.ID 1 _Assembly.Name Rhodostoxin-disintegrin_rhodostomin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; _struct_conn.id _struct_conn.conn_type_id _struct_conn.ndb_PDB_id _struct_conn.ndb_ptnr1_mod_name _struct_conn.ndb_ptnr1_replaced_atom _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.ndb_ptnr1_label_alt_loc _struct_conn.ndb_ptnr1_label_ins_code _struct_conn.ndb_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.ndb_ptnr2_label_alt_loc _struct_conn.ndb_ptnr2_label_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.ndb_ptnr3_label_atom_id _struct_conn.ndb_ptnr3_label_seq_id _struct_conn.ndb_ptnr3_label_comp_id _struct_conn.ndb_ptnr3_label_asym_id _struct_conn.ndb_ptnr3_label_alt_loc _struct_conn.ndb_ptnr3_label_ins_code _struct_conn.details disulf1 disulf ? ? ? A CYS 4 SG ? ? ? 1_555 A CYS 19 SG ? ? A CYS 4 A CYS 19 1_555 ? ? ? ? ? ? ? disulf2 disulf ? ? ? A CYS 6 SG ? ? ? 1_555 A CYS 14 SG ? ? A CYS 6 A CYS 14 1_555 ? ? ? ? ? ? ? disulf3 disulf ? ? ? A CYS 13 SG ? ? ? 1_555 A CYS 36 SG ? ? A CYS 13 A CYS 36 1_555 ? ? ? ? ? ? ? disulf4 disulf ? ? ? A CYS 27 SG ? ? ? 1_555 A CYS 33 SG ? ? A CYS 27 A CYS 33 1_555 ? ? ? ? ? ? ? disulf5 disulf ? ? ? A CYS 32 SG ? ? ? 1_555 A CYS 57 SG ? ? A CYS 32 A CYS 57 1_555 ? ? ? ? ? ? ? disulf6 disulf ? ? ? A CYS 45 SG ? ? ? 1_555 A CYS 64 SG ? ? A CYS 45 A CYS 64 1_555 ? ? ? ? ? ? ? # ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Rhodostoxin-disintegrin_rhodostomin 1 $Rhodostoxin-disintegrin_rhodostomin A . yes native no no . . . 7399 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 disulphide 1 . 1 Rhodostoxin-disintegrin_rhodostomin 1 CYS 4 4 SG . 1 Rhodostoxin-disintegrin_rhodostomin 1 CYS 19 19 SG 1 Rhodostoxin-disintegrin_rhodostomin 4 cys SG 1 Rhodostoxin-disintegrin_rhodostomin 19 cys SG 7399 1 2 disulphide 1 . 1 Rhodostoxin-disintegrin_rhodostomin 1 CYS 6 6 SG . 1 Rhodostoxin-disintegrin_rhodostomin 1 CYS 14 14 SG 1 Rhodostoxin-disintegrin_rhodostomin 6 cys SG 1 Rhodostoxin-disintegrin_rhodostomin 14 cys SG 7399 1 3 disulphide 1 . 1 Rhodostoxin-disintegrin_rhodostomin 1 CYS 13 13 SG . 1 Rhodostoxin-disintegrin_rhodostomin 1 CYS 36 36 SG 1 Rhodostoxin-disintegrin_rhodostomin 13 cys SG 1 Rhodostoxin-disintegrin_rhodostomin 36 cys SG 7399 1 4 disulphide 1 . 1 Rhodostoxin-disintegrin_rhodostomin 1 CYS 27 27 SG . 1 Rhodostoxin-disintegrin_rhodostomin 1 CYS 33 33 SG 1 Rhodostoxin-disintegrin_rhodostomin 27 cys SG 1 Rhodostoxin-disintegrin_rhodostomin 33 cys SG 7399 1 5 disulphide 1 . 1 Rhodostoxin-disintegrin_rhodostomin 1 CYS 32 32 SG . 1 Rhodostoxin-disintegrin_rhodostomin 1 CYS 57 57 SG 1 Rhodostoxin-disintegrin_rhodostomin 32 cys SG 1 Rhodostoxin-disintegrin_rhodostomin 57 cys SG 7399 1 6 disulphide 1 . 1 Rhodostoxin-disintegrin_rhodostomin 1 CYS 45 45 SG . 1 Rhodostoxin-disintegrin_rhodostomin 1 CYS 64 64 SG 1 Rhodostoxin-disintegrin_rhodostomin 45 cys SG 1 Rhodostoxin-disintegrin_rhodostomin 64 cys SG 7399 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rhodostoxin-disintegrin_rhodostomin _Entity.Sf_category entity _Entity.Sf_framecode Rhodostoxin-disintegrin_rhodostomin _Entity.Entry_ID 7399 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rhodostoxin-disintegrin_rhodostomin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GKECDCSSPENPCCDAATCK LRPGAQCGEGLCCEQCKFSR AGKICRIPRGEMPDDRCTGQ SADCPRYH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues 1-68' _Entity.Mutation D51E _Entity.EC_number 3.4.24.- _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 2015-01-28 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 17963 . Rhodostomin_G50L_mutant . . . . . 100.00 68 97.06 98.53 9.14e-38 . . . . 7399 1 2 no BMRB 2856 . kistrin . . . . . 100.00 68 98.53 100.00 7.84e-39 . . . . 7399 1 3 no BMRB 5117 . Rho . . . . . 100.00 76 98.53 100.00 4.10e-39 . . . . 7399 1 4 no BMRB 7400 . Rhodostoxin-disintegrin_rhodostomin . . . . . 100.00 68 97.06 98.53 5.85e-38 . . . . 7399 1 5 no PDB 1N4Y . "Refined Structure Of Kistrin" . . . . . 100.00 68 98.53 100.00 7.84e-39 . . . . 7399 1 6 no PDB 2LJV . "Solution Structure Of Rhodostomin G50l Mutant" . . . . . 100.00 68 97.06 98.53 9.14e-38 . . . . 7399 1 7 no PDB 2PJF . "Solution Structure Of Rhodostomin" . . . . . 100.00 68 98.53 100.00 7.84e-39 . . . . 7399 1 8 no PDB 2PJG . "Solution Structure Of Rhodostomin D51e Mutant" . . . . . 100.00 68 100.00 100.00 2.20e-39 . . . . 7399 1 9 no PDB 2PJI . "Solution Structure Of Rhodostomin P48a Mutant" . . . . . 100.00 68 97.06 98.53 5.85e-38 . . . . 7399 1 10 no GB AAA49196 . "precursor [Calloselasma rhodostoma]" . . . . . 100.00 478 98.53 100.00 1.19e-39 . . . . 7399 1 11 no GB AAA57568 . "rhodostomin [synthetic construct]" . . . . . 100.00 71 98.53 100.00 8.29e-39 . . . . 7399 1 12 no SP P30403 . "RecName: Full=Zinc metalloproteinase/disintegrin; Contains: RecName: Full=Snake venom metalloproteinase rhodostoxin; Short=SVMP" . . . . . 100.00 478 98.53 100.00 1.19e-39 . . . . 7399 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 3D-structure SWS-KEYWORD 7399 1 'Blood coagulation' SWS-KEYWORD 7399 1 'Cell adhesion' SWS-KEYWORD 7399 1 'Direct protein sequencing' SWS-KEYWORD 7399 1 Glycoprotein SWS-KEYWORD 7399 1 Hydrolase SWS-KEYWORD 7399 1 Metal-binding SWS-KEYWORD 7399 1 Metalloprotease SWS-KEYWORD 7399 1 Protease SWS-KEYWORD 7399 1 'Rhodostoxin-disintegrin rhodostomin precursor (EC 3.4.24.-) (RHO) [Contains: Rhodostoxin (Hemorrhagic protein); Disintegrin rhodostomin (Disintegrin kistrin) (Platelet aggregation activation inhibitor)]' RCSB_NAME 7399 1 Signal SWS-KEYWORD 7399 1 Zinc SWS-KEYWORD 7399 1 Zymogen SWS-KEYWORD 7399 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 . GLY . 7399 1 2 . LYS . 7399 1 3 . GLU . 7399 1 4 . CYS . 7399 1 5 . ASP . 7399 1 6 . CYS . 7399 1 7 . SER . 7399 1 8 . SER . 7399 1 9 . PRO . 7399 1 10 . GLU . 7399 1 11 . ASN . 7399 1 12 . PRO . 7399 1 13 . CYS . 7399 1 14 . CYS . 7399 1 15 . ASP . 7399 1 16 . ALA . 7399 1 17 . ALA . 7399 1 18 . THR . 7399 1 19 . CYS . 7399 1 20 . LYS . 7399 1 21 . LEU . 7399 1 22 . ARG . 7399 1 23 . PRO . 7399 1 24 . GLY . 7399 1 25 . ALA . 7399 1 26 . GLN . 7399 1 27 . CYS . 7399 1 28 . GLY . 7399 1 29 . GLU . 7399 1 30 . GLY . 7399 1 31 . LEU . 7399 1 32 . CYS . 7399 1 33 . CYS . 7399 1 34 . GLU . 7399 1 35 . GLN . 7399 1 36 . CYS . 7399 1 37 . LYS . 7399 1 38 . PHE . 7399 1 39 . SER . 7399 1 40 . ARG . 7399 1 41 . ALA . 7399 1 42 . GLY . 7399 1 43 . LYS . 7399 1 44 . ILE . 7399 1 45 . CYS . 7399 1 46 . ARG . 7399 1 47 . ILE . 7399 1 48 . PRO . 7399 1 49 . ARG . 7399 1 50 . GLY . 7399 1 51 . GLU . 7399 1 52 . MET . 7399 1 53 . PRO . 7399 1 54 . ASP . 7399 1 55 . ASP . 7399 1 56 . ARG . 7399 1 57 . CYS . 7399 1 58 . THR . 7399 1 59 . GLY . 7399 1 60 . GLN . 7399 1 61 . SER . 7399 1 62 . ALA . 7399 1 63 . ASP . 7399 1 64 . CYS . 7399 1 65 . PRO . 7399 1 66 . ARG . 7399 1 67 . TYR . 7399 1 68 . HIS . 7399 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 . GLY 1 1 7399 1 . LYS 2 2 7399 1 . GLU 3 3 7399 1 . CYS 4 4 7399 1 . ASP 5 5 7399 1 . CYS 6 6 7399 1 . SER 7 7 7399 1 . SER 8 8 7399 1 . PRO 9 9 7399 1 . GLU 10 10 7399 1 . ASN 11 11 7399 1 . PRO 12 12 7399 1 . CYS 13 13 7399 1 . CYS 14 14 7399 1 . ASP 15 15 7399 1 . ALA 16 16 7399 1 . ALA 17 17 7399 1 . THR 18 18 7399 1 . CYS 19 19 7399 1 . LYS 20 20 7399 1 . LEU 21 21 7399 1 . ARG 22 22 7399 1 . PRO 23 23 7399 1 . GLY 24 24 7399 1 . ALA 25 25 7399 1 . GLN 26 26 7399 1 . CYS 27 27 7399 1 . GLY 28 28 7399 1 . GLU 29 29 7399 1 . GLY 30 30 7399 1 . LEU 31 31 7399 1 . CYS 32 32 7399 1 . CYS 33 33 7399 1 . GLU 34 34 7399 1 . GLN 35 35 7399 1 . CYS 36 36 7399 1 . LYS 37 37 7399 1 . PHE 38 38 7399 1 . SER 39 39 7399 1 . ARG 40 40 7399 1 . ALA 41 41 7399 1 . GLY 42 42 7399 1 . LYS 43 43 7399 1 . ILE 44 44 7399 1 . CYS 45 45 7399 1 . ARG 46 46 7399 1 . ILE 47 47 7399 1 . PRO 48 48 7399 1 . ARG 49 49 7399 1 . GLY 50 50 7399 1 . GLU 51 51 7399 1 . MET 52 52 7399 1 . PRO 53 53 7399 1 . ASP 54 54 7399 1 . ASP 55 55 7399 1 . ARG 56 56 7399 1 . CYS 57 57 7399 1 . THR 58 58 7399 1 . GLY 59 59 7399 1 . GLN 60 60 7399 1 . SER 61 61 7399 1 . ALA 62 62 7399 1 . ASP 63 63 7399 1 . CYS 64 64 7399 1 . PRO 65 65 7399 1 . ARG 66 66 7399 1 . TYR 67 67 7399 1 . HIS 68 68 7399 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7399 _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 $Rhodostoxin-disintegrin_rhodostomin . 8717 organism . 'Calloselasma rhodostoma' 'Malayan pit viper' . . Eukaryota Metazoa Calloselasma rhodostoma . . . . . . . . . . . . . . . . RHOD . . . . 7399 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 7399 _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 $Rhodostoxin-disintegrin_rhodostomin . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . RI . . . . . . . . 7399 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7399 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2mM Rhodostomin D51E mutant, 90%H2O, 10%D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90%H2O, 10%D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rhodostoxin-disintegrin_rhodostomin 'natural abundance' . . 1 $Rhodostoxin-disintegrin_rhodostomin . . 2 . . mM . . . . 7399 1 2 H2O . . . . . . . 90 . . % . . . . 7399 1 3 D2O . . . . . . . 10 . . % . . . . 7399 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7399 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2mM Rhodostomin D51E mutant, 100%D2O' _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 Rhodostoxin-disintegrin_rhodostomin 'natural abundance' . . 1 $Rhodostoxin-disintegrin_rhodostomin . . 2 . . mM . . . . 7399 2 2 D2O . . . . . . . 100 . . % . . . . 7399 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7399 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2mM Rhodostomin D51E mutant U-15N, 90%H2O, 10%D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90%H2O, 10%D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rhodostoxin-disintegrin_rhodostomin [U-15N] . . 1 $Rhodostoxin-disintegrin_rhodostomin . . 2 . . mM . . . . 7399 3 2 H2O . . . . . . . 90 . . % . . . . 7399 3 3 D2O . . . . . . . 10 . . % . . . . 7399 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 7399 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2mM Rhodostomin D51E mutant U-15N, 100%D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system 100%D2O _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rhodostoxin-disintegrin_rhodostomin [U-15N] . . 1 $Rhodostoxin-disintegrin_rhodostomin . . 2 . . mM . . . . 7399 4 2 D2O . . . . . . . 100 . . % . . . . 7399 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 7399 _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 . pH 7399 1 pressure 1 . atm 7399 1 temperature 300 . K 7399 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 7399 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 7399 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7399 1 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 7399 _Software.ID 2 _Software.Name AURELIA _Software.Version 3.1.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 7399 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7399 2 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 7399 _Software.ID 3 _Software.Name X-PLOR _Software.Version 3.185 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 7399 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7399 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 7399 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 7399 _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 spectrometer_1 Bruker AVANCE . 600 . . . 7399 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 7399 _Experiment_list.ID 1 _Experiment_list.Details 'This structure was determined using standard 2D homonuclear techniques.' 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 '2D NOESY' no . . . . . . . . . . 1 . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7399 1 2 '2D TOCSY' no . . . . . . . . . . 1 . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7399 1 3 '2D NOESY' no . . . . . . . . . . 2 . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7399 1 4 '2D TOCSY' no . . . . . . . . . . 2 . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7399 1 5 3D_15N-separated_NOESY no . . . . . . . . . . 3 . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7399 1 6 3D_15N-separated_TOCSY no . . . . . . . . . . 3 . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7399 1 7 HNHA no . . . . . . . . . . 3 . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7399 1 8 '2D HSQC' no . . . . . . . . . . 4 . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7399 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 7399 _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 0.05 internal direct 1.000000000 . . . . . . . . . 7399 1 N 15 DSS 'methyl protons' . . . . ppm 0.1 na indirect 0.101329118 . . . . . . . . . 7399 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7399 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D NOESY' . . . 7399 1 2 '2D TOCSY' . . . 7399 1 3 '2D NOESY' . . . 7399 1 4 '2D TOCSY' . . . 7399 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 1 1 GLY H H 1 8.577 . . 1 . . . . 1 GLY H . 7399 1 2 . 1 1 1 1 GLY HA2 H 1 4.678 . . 2 . . . . 1 GLY HA2 . 7399 1 3 . 1 1 1 1 GLY HA3 H 1 4.008 . . 2 . . . . 1 GLY HA3 . 7399 1 4 . 1 1 1 1 GLY N N 15 114.35 . . 1 . . . . 1 GLY N . 7399 1 5 . 1 1 2 2 LYS H H 1 8.331 . . 1 . . . . 2 LYS H . 7399 1 6 . 1 1 2 2 LYS HB2 H 1 1.90 . . 2 . . . . 2 LYS HB2 . 7399 1 7 . 1 1 2 2 LYS HB3 H 1 1.81 . . 2 . . . . 2 LYS HB3 . 7399 1 8 . 1 1 2 2 LYS HG2 H 1 1.481 . . 1 . . . . 2 LYS HG2 . 7399 1 9 . 1 1 2 2 LYS HG3 H 1 1.484 . . 1 . . . . 2 LYS HG3 . 7399 1 10 . 1 1 2 2 LYS N N 15 125.285 . . 1 . . . . 2 LYS N . 7399 1 11 . 1 1 3 3 GLU H H 1 8.659 . . 1 . . . . 3 GLU H . 7399 1 12 . 1 1 3 3 GLU HA H 1 4.322 . . 1 . . . . 3 GLU HA . 7399 1 13 . 1 1 3 3 GLU HB2 H 1 2.051 . . 2 . . . . 3 GLU HB2 . 7399 1 14 . 1 1 3 3 GLU HB3 H 1 1.970 . . 2 . . . . 3 GLU HB3 . 7399 1 15 . 1 1 3 3 GLU HG2 H 1 2.281 . . 1 . . . . 3 GLU HG2 . 7399 1 16 . 1 1 3 3 GLU HG3 H 1 2.281 . . 1 . . . . 3 GLU HG3 . 7399 1 17 . 1 1 3 3 GLU N N 15 125.356 . . 1 . . . . 3 GLU N . 7399 1 18 . 1 1 4 4 CYS H H 1 8.116 . . 1 . . . . 4 CYS H . 7399 1 19 . 1 1 4 4 CYS HA H 1 4.975 . . 1 . . . . 4 CYS HA . 7399 1 20 . 1 1 4 4 CYS HB2 H 1 3.456 . . 2 . . . . 4 CYS HB2 . 7399 1 21 . 1 1 4 4 CYS HB3 H 1 2.581 . . 2 . . . . 4 CYS HB3 . 7399 1 22 . 1 1 4 4 CYS N N 15 123.773 . . 1 . . . . 4 CYS N . 7399 1 23 . 1 1 5 5 ASP H H 1 8.776 . . 1 . . . . 5 ASP H . 7399 1 24 . 1 1 5 5 ASP HA H 1 4.817 . . 1 . . . . 5 ASP HA . 7399 1 25 . 1 1 5 5 ASP HB2 H 1 2.721 . . 1 . . . . 5 ASP HB2 . 7399 1 26 . 1 1 5 5 ASP HB3 H 1 2.721 . . 1 . . . . 5 ASP HB3 . 7399 1 27 . 1 1 5 5 ASP N N 15 123.756 . . 1 . . . . 5 ASP N . 7399 1 28 . 1 1 6 6 CYS H H 1 6.975 . . 1 . . . . 6 CYS H . 7399 1 29 . 1 1 6 6 CYS HA H 1 4.931 . . 1 . . . . 6 CYS HA . 7399 1 30 . 1 1 6 6 CYS HB2 H 1 3.218 . . 2 . . . . 6 CYS HB2 . 7399 1 31 . 1 1 6 6 CYS HB3 H 1 2.987 . . 2 . . . . 6 CYS HB3 . 7399 1 32 . 1 1 6 6 CYS N N 15 116.724 . . 1 . . . . 6 CYS N . 7399 1 33 . 1 1 7 7 SER H H 1 9.659 . . 1 . . . . 7 SER H . 7399 1 34 . 1 1 7 7 SER HA H 1 4.226 . . 1 . . . . 7 SER HA . 7399 1 35 . 1 1 7 7 SER HB2 H 1 3.953 . . 2 . . . . 7 SER HB2 . 7399 1 36 . 1 1 7 7 SER HB3 H 1 3.858 . . 2 . . . . 7 SER HB3 . 7399 1 37 . 1 1 7 7 SER N N 15 123.545 . . 1 . . . . 7 SER N . 7399 1 38 . 1 1 8 8 SER H H 1 7.862 . . 1 . . . . 8 SER H . 7399 1 39 . 1 1 8 8 SER HA H 1 5.137 . . 1 . . . . 8 SER HA . 7399 1 40 . 1 1 8 8 SER HB2 H 1 4.005 . . 2 . . . . 8 SER HB2 . 7399 1 41 . 1 1 8 8 SER HB3 H 1 3.816 . . 2 . . . . 8 SER HB3 . 7399 1 42 . 1 1 8 8 SER N N 15 119.712 . . 1 . . . . 8 SER N . 7399 1 43 . 1 1 9 9 PRO HA H 1 4.559 . . 1 . . . . 9 PRO HA . 7399 1 44 . 1 1 9 9 PRO HB2 H 1 2.392 . . 1 . . . . 9 PRO HB2 . 7399 1 45 . 1 1 9 9 PRO HB3 H 1 2.392 . . 1 . . . . 9 PRO HB3 . 7399 1 46 . 1 1 9 9 PRO HD2 H 1 3.965 . . 2 . . . . 9 PRO HD2 . 7399 1 47 . 1 1 9 9 PRO HD3 H 1 3.824 . . 2 . . . . 9 PRO HD3 . 7399 1 48 . 1 1 9 9 PRO HG2 H 1 2.040 . . 1 . . . . 9 PRO HG2 . 7399 1 49 . 1 1 9 9 PRO HG3 H 1 2.040 . . 1 . . . . 9 PRO HG3 . 7399 1 50 . 1 1 10 10 GLU H H 1 8.244 . . 1 . . . . 10 GLU H . 7399 1 51 . 1 1 10 10 GLU HA H 1 4.294 . . 1 . . . . 10 GLU HA . 7399 1 52 . 1 1 10 10 GLU HB2 H 1 2.201 . . 2 . . . . 10 GLU HB2 . 7399 1 53 . 1 1 10 10 GLU HB3 H 1 2.031 . . 2 . . . . 10 GLU HB3 . 7399 1 54 . 1 1 10 10 GLU HG2 H 1 2.261 . . 1 . . . . 10 GLU HG2 . 7399 1 55 . 1 1 10 10 GLU HG3 H 1 2.261 . . 1 . . . . 10 GLU HG3 . 7399 1 56 . 1 1 10 10 GLU N N 15 120.855 . . 1 . . . . 10 GLU N . 7399 1 57 . 1 1 11 11 ASN H H 1 7.260 . . 1 . . . . 11 ASN H . 7399 1 58 . 1 1 11 11 ASN HA H 1 4.794 . . 1 . . . . 11 ASN HA . 7399 1 59 . 1 1 11 11 ASN HB2 H 1 3.146 . . 2 . . . . 11 ASN HB2 . 7399 1 60 . 1 1 11 11 ASN HB3 H 1 2.872 . . 2 . . . . 11 ASN HB3 . 7399 1 61 . 1 1 11 11 ASN HD21 H 1 8.296 . . 2 . . . . 11 ASN HD21 . 7399 1 62 . 1 1 11 11 ASN HD22 H 1 7.438 . . 2 . . . . 11 ASN HD22 . 7399 1 63 . 1 1 11 11 ASN N N 15 124.776 . . 1 . . . . 11 ASN N . 7399 1 64 . 1 1 11 11 ASN ND2 N 15 118.519 . . 1 . . . . 11 ASN ND2 . 7399 1 65 . 1 1 12 12 PRO HA H 1 4.704 . . 1 . . . . 12 PRO HA . 7399 1 66 . 1 1 12 12 PRO HB2 H 1 2.393 . . 2 . . . . 12 PRO HB2 . 7399 1 67 . 1 1 12 12 PRO HB3 H 1 1.979 . . 2 . . . . 12 PRO HB3 . 7399 1 68 . 1 1 12 12 PRO HD2 H 1 4.165 . . 2 . . . . 12 PRO HD2 . 7399 1 69 . 1 1 12 12 PRO HD3 H 1 3.969 . . 2 . . . . 12 PRO HD3 . 7399 1 70 . 1 1 12 12 PRO HG2 H 1 2.151 . . 1 . . . . 12 PRO HG2 . 7399 1 71 . 1 1 12 12 PRO HG3 H 1 2.151 . . 1 . . . . 12 PRO HG3 . 7399 1 72 . 1 1 13 13 CYS H H 1 8.931 . . 1 . . . . 13 CYS H . 7399 1 73 . 1 1 13 13 CYS HA H 1 4.648 . . 1 . . . . 13 CYS HA . 7399 1 74 . 1 1 13 13 CYS HB2 H 1 3.222 . . 2 . . . . 13 CYS HB2 . 7399 1 75 . 1 1 13 13 CYS HB3 H 1 2.578 . . 2 . . . . 13 CYS HB3 . 7399 1 76 . 1 1 13 13 CYS N N 15 121.945 . . 1 . . . . 13 CYS N . 7399 1 77 . 1 1 14 14 CYS H H 1 7.543 . . 1 . . . . 14 CYS H . 7399 1 78 . 1 1 14 14 CYS HA H 1 5.056 . . 1 . . . . 14 CYS HA . 7399 1 79 . 1 1 14 14 CYS HB2 H 1 2.95 . . 2 . . . . 14 CYS HB2 . 7399 1 80 . 1 1 14 14 CYS HB3 H 1 2.89 . . 2 . . . . 14 CYS HB3 . 7399 1 81 . 1 1 14 14 CYS N N 15 116.46 . . 1 . . . . 14 CYS N . 7399 1 82 . 1 1 15 15 ASP H H 1 8.212 . . 1 . . . . 15 ASP H . 7399 1 83 . 1 1 15 15 ASP HA H 1 4.570 . . 1 . . . . 15 ASP HA . 7399 1 84 . 1 1 15 15 ASP HB2 H 1 3.144 . . 2 . . . . 15 ASP HB2 . 7399 1 85 . 1 1 15 15 ASP HB3 H 1 2.481 . . 2 . . . . 15 ASP HB3 . 7399 1 86 . 1 1 15 15 ASP N N 15 125.197 . . 1 . . . . 15 ASP N . 7399 1 87 . 1 1 16 16 ALA H H 1 8.996 . . 1 . . . . 16 ALA H . 7399 1 88 . 1 1 16 16 ALA HA H 1 4.148 . . 1 . . . . 16 ALA HA . 7399 1 89 . 1 1 16 16 ALA HB1 H 1 1.546 . . 1 . . . . 16 ALA HB . 7399 1 90 . 1 1 16 16 ALA HB2 H 1 1.546 . . 1 . . . . 16 ALA HB . 7399 1 91 . 1 1 16 16 ALA HB3 H 1 1.546 . . 1 . . . . 16 ALA HB . 7399 1 92 . 1 1 16 16 ALA N N 15 135.341 . . 1 . . . . 16 ALA N . 7399 1 93 . 1 1 17 17 ALA H H 1 8.669 . . 1 . . . . 17 ALA H . 7399 1 94 . 1 1 17 17 ALA HA H 1 4.361 . . 1 . . . . 17 ALA HA . 7399 1 95 . 1 1 17 17 ALA HB1 H 1 1.544 . . 1 . . . . 17 ALA HB . 7399 1 96 . 1 1 17 17 ALA HB2 H 1 1.544 . . 1 . . . . 17 ALA HB . 7399 1 97 . 1 1 17 17 ALA HB3 H 1 1.544 . . 1 . . . . 17 ALA HB . 7399 1 98 . 1 1 17 17 ALA N N 15 121.910 . . 1 . . . . 17 ALA N . 7399 1 99 . 1 1 18 18 THR H H 1 7.743 . . 1 . . . . 18 THR H . 7399 1 100 . 1 1 18 18 THR HA H 1 4.445 . . 1 . . . . 18 THR HA . 7399 1 101 . 1 1 18 18 THR HB H 1 4.34 . . 1 . . . . 18 THR HB . 7399 1 102 . 1 1 18 18 THR HG21 H 1 1.198 . . 1 . . . . 18 THR HG2 . 7399 1 103 . 1 1 18 18 THR HG22 H 1 1.198 . . 1 . . . . 18 THR HG2 . 7399 1 104 . 1 1 18 18 THR HG23 H 1 1.198 . . 1 . . . . 18 THR HG2 . 7399 1 105 . 1 1 18 18 THR N N 15 109.481 . . 1 . . . . 18 THR N . 7399 1 106 . 1 1 19 19 CYS H H 1 8.601 . . 1 . . . . 19 CYS H . 7399 1 107 . 1 1 19 19 CYS HA H 1 4.642 . . 1 . . . . 19 CYS HA . 7399 1 108 . 1 1 19 19 CYS HB2 H 1 3.543 . . 2 . . . . 19 CYS HB2 . 7399 1 109 . 1 1 19 19 CYS HB3 H 1 3.323 . . 2 . . . . 19 CYS HB3 . 7399 1 110 . 1 1 19 19 CYS N N 15 123.176 . . 1 . . . . 19 CYS N . 7399 1 111 . 1 1 20 20 LYS H H 1 7.964 . . 1 . . . . 20 LYS H . 7399 1 112 . 1 1 20 20 LYS HA H 1 4.945 . . 1 . . . . 20 LYS HA . 7399 1 113 . 1 1 20 20 LYS HB2 H 1 1.984 . . 2 . . . . 20 LYS HB2 . 7399 1 114 . 1 1 20 20 LYS HB3 H 1 1.536 . . 2 . . . . 20 LYS HB3 . 7399 1 115 . 1 1 20 20 LYS HD2 H 1 1.675 . . 1 . . . . 20 LYS HD2 . 7399 1 116 . 1 1 20 20 LYS HD3 H 1 1.675 . . 1 . . . . 20 LYS HD3 . 7399 1 117 . 1 1 20 20 LYS N N 15 122.525 . . 1 . . . . 20 LYS N . 7399 1 118 . 1 1 21 21 LEU H H 1 9.211 . . 1 . . . . 21 LEU H . 7399 1 119 . 1 1 21 21 LEU HA H 1 4.285 . . 1 . . . . 21 LEU HA . 7399 1 120 . 1 1 21 21 LEU HB2 H 1 1.424 . . 1 . . . . 21 LEU HB2 . 7399 1 121 . 1 1 21 21 LEU HB3 H 1 1.424 . . 1 . . . . 21 LEU HB3 . 7399 1 122 . 1 1 21 21 LEU HD11 H 1 0.632 . . 2 . . . . 21 LEU HD1 . 7399 1 123 . 1 1 21 21 LEU HD12 H 1 0.632 . . 2 . . . . 21 LEU HD1 . 7399 1 124 . 1 1 21 21 LEU HD13 H 1 0.632 . . 2 . . . . 21 LEU HD1 . 7399 1 125 . 1 1 21 21 LEU HD21 H 1 0.519 . . 2 . . . . 21 LEU HD2 . 7399 1 126 . 1 1 21 21 LEU HD22 H 1 0.519 . . 2 . . . . 21 LEU HD2 . 7399 1 127 . 1 1 21 21 LEU HD23 H 1 0.519 . . 2 . . . . 21 LEU HD2 . 7399 1 128 . 1 1 21 21 LEU HG H 1 1.681 . . 1 . . . . 21 LEU HG . 7399 1 129 . 1 1 21 21 LEU N N 15 124.582 . . 1 . . . . 21 LEU N . 7399 1 130 . 1 1 22 22 ARG H H 1 8.490 . . 1 . . . . 22 ARG H . 7399 1 131 . 1 1 22 22 ARG HA H 1 4.448 . . 1 . . . . 22 ARG HA . 7399 1 132 . 1 1 22 22 ARG HB2 H 1 1.719 . . 2 . . . . 22 ARG HB2 . 7399 1 133 . 1 1 22 22 ARG HB3 H 1 1.627 . . 2 . . . . 22 ARG HB3 . 7399 1 134 . 1 1 22 22 ARG HD2 H 1 3.249 . . 2 . . . . 22 ARG HD2 . 7399 1 135 . 1 1 22 22 ARG HD3 H 1 3.172 . . 2 . . . . 22 ARG HD3 . 7399 1 136 . 1 1 22 22 ARG HE H 1 6.925 . . 1 . . . . 22 ARG HE . 7399 1 137 . 1 1 22 22 ARG N N 15 126.604 . . 1 . . . . 22 ARG N . 7399 1 138 . 1 1 22 22 ARG NE N 15 125.132 . . 1 . . . . 22 ARG NE . 7399 1 139 . 1 1 23 23 PRO HA H 1 4.389 . . 1 . . . . 23 PRO HA . 7399 1 140 . 1 1 23 23 PRO HB2 H 1 2.378 . . 2 . . . . 23 PRO HB2 . 7399 1 141 . 1 1 23 23 PRO HB3 H 1 1.921 . . 2 . . . . 23 PRO HB3 . 7399 1 142 . 1 1 23 23 PRO HG2 H 1 2.091 . . 1 . . . . 23 PRO HG2 . 7399 1 143 . 1 1 23 23 PRO HG3 H 1 2.091 . . 1 . . . . 23 PRO HG3 . 7399 1 144 . 1 1 24 24 GLY H H 1 8.830 . . 1 . . . . 24 GLY H . 7399 1 145 . 1 1 24 24 GLY HA2 H 1 4.295 . . 2 . . . . 24 GLY HA2 . 7399 1 146 . 1 1 24 24 GLY HA3 H 1 3.664 . . 2 . . . . 24 GLY HA3 . 7399 1 147 . 1 1 24 24 GLY N N 15 117.708 . . 1 . . . . 24 GLY N . 7399 1 148 . 1 1 25 25 ALA H H 1 7.942 . . 1 . . . . 25 ALA H . 7399 1 149 . 1 1 25 25 ALA HA H 1 4.540 . . 1 . . . . 25 ALA HA . 7399 1 150 . 1 1 25 25 ALA HB1 H 1 1.621 . . 1 . . . . 25 ALA HB . 7399 1 151 . 1 1 25 25 ALA HB2 H 1 1.621 . . 1 . . . . 25 ALA HB . 7399 1 152 . 1 1 25 25 ALA HB3 H 1 1.621 . . 1 . . . . 25 ALA HB . 7399 1 153 . 1 1 25 25 ALA N N 15 127.553 . . 1 . . . . 25 ALA N . 7399 1 154 . 1 1 26 26 GLN H H 1 8.827 . . 1 . . . . 26 GLN H . 7399 1 155 . 1 1 26 26 GLN HA H 1 4.113 . . 1 . . . . 26 GLN HA . 7399 1 156 . 1 1 26 26 GLN HB2 H 1 1.236 . . 2 . . . . 26 GLN HB2 . 7399 1 157 . 1 1 26 26 GLN HB3 H 1 0.574 . . 2 . . . . 26 GLN HB3 . 7399 1 158 . 1 1 26 26 GLN HE21 H 1 6.988 . . 2 . . . . 26 GLN HE21 . 7399 1 159 . 1 1 26 26 GLN HE22 H 1 7.717 . . 2 . . . . 26 GLN HE22 . 7399 1 160 . 1 1 26 26 GLN HG2 H 1 2.168 . . 2 . . . . 26 GLN HG2 . 7399 1 161 . 1 1 26 26 GLN HG3 H 1 2.056 . . 2 . . . . 26 GLN HG3 . 7399 1 162 . 1 1 26 26 GLN N N 15 122.086 . . 1 . . . . 26 GLN N . 7399 1 163 . 1 1 26 26 GLN NE2 N 15 117.676 . . 1 . . . . 26 GLN NE2 . 7399 1 164 . 1 1 27 27 CYS H H 1 7.805 . . 1 . . . . 27 CYS H . 7399 1 165 . 1 1 27 27 CYS HA H 1 4.555 . . 1 . . . . 27 CYS HA . 7399 1 166 . 1 1 27 27 CYS HB2 H 1 3.287 . . 2 . . . . 27 CYS HB2 . 7399 1 167 . 1 1 27 27 CYS HB3 H 1 3.153 . . 2 . . . . 27 CYS HB3 . 7399 1 168 . 1 1 27 27 CYS N N 15 117.409 . . 1 . . . . 27 CYS N . 7399 1 169 . 1 1 28 28 GLY H H 1 9.163 . . 1 . . . . 28 GLY H . 7399 1 170 . 1 1 28 28 GLY HA2 H 1 4.446 . . 1 . . . . 28 GLY HA2 . 7399 1 171 . 1 1 28 28 GLY HA3 H 1 3.574 . . 1 . . . . 28 GLY HA3 . 7399 1 172 . 1 1 28 28 GLY N N 15 109.041 . . 1 . . . . 28 GLY N . 7399 1 173 . 1 1 29 29 GLU H H 1 7.844 . . 1 . . . . 29 GLU H . 7399 1 174 . 1 1 29 29 GLU HA H 1 4.782 . . 1 . . . . 29 GLU HA . 7399 1 175 . 1 1 29 29 GLU HB2 H 1 2.311 . . 2 . . . . 29 GLU HB2 . 7399 1 176 . 1 1 29 29 GLU HB3 H 1 1.981 . . 2 . . . . 29 GLU HB3 . 7399 1 177 . 1 1 29 29 GLU HG2 H 1 2.260 . . 2 . . . . 29 GLU HG2 . 7399 1 178 . 1 1 29 29 GLU HG3 H 1 2.171 . . 2 . . . . 29 GLU HG3 . 7399 1 179 . 1 1 29 29 GLU N N 15 122.174 . . 1 . . . . 29 GLU N . 7399 1 180 . 1 1 30 30 GLY H H 1 8.391 . . 1 . . . . 30 GLY H . 7399 1 181 . 1 1 30 30 GLY HA2 H 1 4.915 . . 2 . . . . 30 GLY HA2 . 7399 1 182 . 1 1 30 30 GLY HA3 H 1 3.925 . . 2 . . . . 30 GLY HA3 . 7399 1 183 . 1 1 30 30 GLY N N 15 112.663 . . 1 . . . . 30 GLY N . 7399 1 184 . 1 1 31 31 LEU H H 1 8.960 . . 1 . . . . 31 LEU H . 7399 1 185 . 1 1 31 31 LEU HA H 1 4.354 . . 1 . . . . 31 LEU HA . 7399 1 186 . 1 1 31 31 LEU HB2 H 1 1.829 . . 2 . . . . 31 LEU HB2 . 7399 1 187 . 1 1 31 31 LEU HB3 H 1 1.741 . . 2 . . . . 31 LEU HB3 . 7399 1 188 . 1 1 31 31 LEU HD11 H 1 1.142 . . 1 . . . . 31 LEU HD1 . 7399 1 189 . 1 1 31 31 LEU HD12 H 1 1.142 . . 1 . . . . 31 LEU HD1 . 7399 1 190 . 1 1 31 31 LEU HD13 H 1 1.142 . . 1 . . . . 31 LEU HD1 . 7399 1 191 . 1 1 31 31 LEU HD21 H 1 1.142 . . 1 . . . . 31 LEU HD2 . 7399 1 192 . 1 1 31 31 LEU HD22 H 1 1.142 . . 1 . . . . 31 LEU HD2 . 7399 1 193 . 1 1 31 31 LEU HD23 H 1 1.142 . . 1 . . . . 31 LEU HD2 . 7399 1 194 . 1 1 31 31 LEU HG H 1 1.987 . . 1 . . . . 31 LEU HG . 7399 1 195 . 1 1 31 31 LEU N N 15 125.039 . . 1 . . . . 31 LEU N . 7399 1 196 . 1 1 32 32 CYS H H 1 8.467 . . 1 . . . . 32 CYS H . 7399 1 197 . 1 1 32 32 CYS HA H 1 5.108 . . 1 . . . . 32 CYS HA . 7399 1 198 . 1 1 32 32 CYS HB2 H 1 3.894 . . 2 . . . . 32 CYS HB2 . 7399 1 199 . 1 1 32 32 CYS HB3 H 1 2.509 . . 2 . . . . 32 CYS HB3 . 7399 1 200 . 1 1 32 32 CYS N N 15 119.167 . . 1 . . . . 32 CYS N . 7399 1 201 . 1 1 33 33 CYS H H 1 7.365 . . 1 . . . . 33 CYS H . 7399 1 202 . 1 1 33 33 CYS HA H 1 5.291 . . 1 . . . . 33 CYS HA . 7399 1 203 . 1 1 33 33 CYS HB2 H 1 2.994 . . 2 . . . . 33 CYS HB2 . 7399 1 204 . 1 1 33 33 CYS HB3 H 1 2.560 . . 2 . . . . 33 CYS HB3 . 7399 1 205 . 1 1 33 33 CYS N N 15 125.303 . . 1 . . . . 33 CYS N . 7399 1 206 . 1 1 34 34 GLU H H 1 9.742 . . 1 . . . . 34 GLU H . 7399 1 207 . 1 1 34 34 GLU HA H 1 4.682 . . 1 . . . . 34 GLU HA . 7399 1 208 . 1 1 34 34 GLU HB2 H 1 2.055 . . 2 . . . . 34 GLU HB2 . 7399 1 209 . 1 1 34 34 GLU HB3 H 1 1.911 . . 2 . . . . 34 GLU HB3 . 7399 1 210 . 1 1 34 34 GLU HG2 H 1 2.228 . . 1 . . . . 34 GLU HG2 . 7399 1 211 . 1 1 34 34 GLU HG3 H 1 2.228 . . 1 . . . . 34 GLU HG3 . 7399 1 212 . 1 1 34 34 GLU N N 15 132.652 . . 1 . . . . 34 GLU N . 7399 1 213 . 1 1 35 35 GLN H H 1 9.453 . . 1 . . . . 35 GLN H . 7399 1 214 . 1 1 35 35 GLN HA H 1 3.999 . . 1 . . . . 35 GLN HA . 7399 1 215 . 1 1 35 35 GLN HB2 H 1 2.399 . . 2 . . . . 35 GLN HB2 . 7399 1 216 . 1 1 35 35 GLN HB3 H 1 2.128 . . 2 . . . . 35 GLN HB3 . 7399 1 217 . 1 1 35 35 GLN HG2 H 1 2.241 . . 1 . . . . 35 GLN HG2 . 7399 1 218 . 1 1 35 35 GLN HG3 H 1 2.241 . . 1 . . . . 35 GLN HG3 . 7399 1 219 . 1 1 35 35 GLN N N 15 129.593 . . 1 . . . . 35 GLN N . 7399 1 220 . 1 1 35 35 GLN NE2 N 15 116.264 . . 1 . . . . 35 GLN NE2 . 7399 1 221 . 1 1 36 36 CYS H H 1 8.492 . . 1 . . . . 36 CYS H . 7399 1 222 . 1 1 36 36 CYS HA H 1 4.801 . . 1 . . . . 36 CYS HA . 7399 1 223 . 1 1 36 36 CYS HB2 H 1 3.763 . . 2 . . . . 36 CYS HB2 . 7399 1 224 . 1 1 36 36 CYS HB3 H 1 3.372 . . 2 . . . . 36 CYS HB3 . 7399 1 225 . 1 1 36 36 CYS N N 15 109.569 . . 1 . . . . 36 CYS N . 7399 1 226 . 1 1 37 37 LYS H H 1 8.024 . . 1 . . . . 37 LYS H . 7399 1 227 . 1 1 37 37 LYS HA H 1 4.703 . . 1 . . . . 37 LYS HA . 7399 1 228 . 1 1 37 37 LYS HB2 H 1 1.88 . . 2 . . . . 37 LYS HB2 . 7399 1 229 . 1 1 37 37 LYS HB3 H 1 1.79 . . 2 . . . . 37 LYS HB3 . 7399 1 230 . 1 1 37 37 LYS HD2 H 1 1.64 . . 1 . . . . 37 LYS HD2 . 7399 1 231 . 1 1 37 37 LYS HD3 H 1 1.64 . . 1 . . . . 37 LYS HD3 . 7399 1 232 . 1 1 37 37 LYS HE2 H 1 3.039 . . 1 . . . . 37 LYS HE2 . 7399 1 233 . 1 1 37 37 LYS HE3 H 1 3.039 . . 1 . . . . 37 LYS HE3 . 7399 1 234 . 1 1 37 37 LYS HG2 H 1 1.46 . . 2 . . . . 37 LYS HG2 . 7399 1 235 . 1 1 37 37 LYS HG3 H 1 1.54 . . 2 . . . . 37 LYS HG3 . 7399 1 236 . 1 1 37 37 LYS N N 15 125.11 . . 1 . . . . 37 LYS N . 7399 1 237 . 1 1 38 38 PHE H H 1 8.276 . . 1 . . . . 38 PHE H . 7399 1 238 . 1 1 38 38 PHE HA H 1 5.141 . . 1 . . . . 38 PHE HA . 7399 1 239 . 1 1 38 38 PHE HB2 H 1 3.050 . . 2 . . . . 38 PHE HB2 . 7399 1 240 . 1 1 38 38 PHE HB3 H 1 2.724 . . 2 . . . . 38 PHE HB3 . 7399 1 241 . 1 1 38 38 PHE HD1 H 1 7.029 . . 1 . . . . 38 PHE HD1 . 7399 1 242 . 1 1 38 38 PHE HD2 H 1 7.029 . . 1 . . . . 38 PHE HD2 . 7399 1 243 . 1 1 38 38 PHE HE1 H 1 7.261 . . 1 . . . . 38 PHE HE1 . 7399 1 244 . 1 1 38 38 PHE HE2 H 1 7.261 . . 1 . . . . 38 PHE HE2 . 7399 1 245 . 1 1 38 38 PHE N N 15 123.897 . . 1 . . . . 38 PHE N . 7399 1 246 . 1 1 39 39 SER H H 1 9.044 . . 1 . . . . 39 SER H . 7399 1 247 . 1 1 39 39 SER HA H 1 4.274 . . 1 . . . . 39 SER HA . 7399 1 248 . 1 1 39 39 SER HB2 H 1 3.932 . . 2 . . . . 39 SER HB2 . 7399 1 249 . 1 1 39 39 SER HB3 H 1 3.765 . . 2 . . . . 39 SER HB3 . 7399 1 250 . 1 1 39 39 SER N N 15 125.655 . . 1 . . . . 39 SER N . 7399 1 251 . 1 1 40 40 ARG H H 1 8.573 . . 1 . . . . 40 ARG H . 7399 1 252 . 1 1 40 40 ARG HA H 1 4.101 . . 1 . . . . 40 ARG HA . 7399 1 253 . 1 1 40 40 ARG HB2 H 1 1.82 . . 1 . . . . 40 ARG HB2 . 7399 1 254 . 1 1 40 40 ARG HB3 H 1 1.82 . . 1 . . . . 40 ARG HB3 . 7399 1 255 . 1 1 40 40 ARG HD2 H 1 3.269 . . 1 . . . . 40 ARG HD2 . 7399 1 256 . 1 1 40 40 ARG HD3 H 1 3.269 . . 1 . . . . 40 ARG HD3 . 7399 1 257 . 1 1 40 40 ARG HG2 H 1 1.688 . . 1 . . . . 40 ARG HG2 . 7399 1 258 . 1 1 40 40 ARG HG3 H 1 1.688 . . 1 . . . . 40 ARG HG3 . 7399 1 259 . 1 1 40 40 ARG N N 15 125.848 . . 1 . . . . 40 ARG N . 7399 1 260 . 1 1 41 41 ALA H H 1 8.501 . . 1 . . . . 41 ALA H . 7399 1 261 . 1 1 41 41 ALA HA H 1 3.724 . . 1 . . . . 41 ALA HA . 7399 1 262 . 1 1 41 41 ALA HB1 H 1 1.298 . . 1 . . . . 41 ALA HB . 7399 1 263 . 1 1 41 41 ALA HB2 H 1 1.298 . . 1 . . . . 41 ALA HB . 7399 1 264 . 1 1 41 41 ALA HB3 H 1 1.298 . . 1 . . . . 41 ALA HB . 7399 1 265 . 1 1 41 41 ALA N N 15 127.729 . . 1 . . . . 41 ALA N . 7399 1 266 . 1 1 42 42 GLY H H 1 8.619 . . 1 . . . . 42 GLY H . 7399 1 267 . 1 1 42 42 GLY HA2 H 1 4.486 . . 2 . . . . 42 GLY HA2 . 7399 1 268 . 1 1 42 42 GLY HA3 H 1 3.587 . . 2 . . . . 42 GLY HA3 . 7399 1 269 . 1 1 42 42 GLY N N 15 114.579 . . 1 . . . . 42 GLY N . 7399 1 270 . 1 1 43 43 LYS H H 1 7.535 . . 1 . . . . 43 LYS H . 7399 1 271 . 1 1 43 43 LYS HA H 1 4.149 . . 1 . . . . 43 LYS HA . 7399 1 272 . 1 1 43 43 LYS HB2 H 1 1.87 . . 1 . . . . 43 LYS HB2 . 7399 1 273 . 1 1 43 43 LYS HB3 H 1 1.87 . . 1 . . . . 43 LYS HB3 . 7399 1 274 . 1 1 43 43 LYS HD2 H 1 1.697 . . 1 . . . . 43 LYS HD2 . 7399 1 275 . 1 1 43 43 LYS HD3 H 1 1.697 . . 1 . . . . 43 LYS HD3 . 7399 1 276 . 1 1 43 43 LYS HE2 H 1 3.117 . . 1 . . . . 43 LYS HE2 . 7399 1 277 . 1 1 43 43 LYS HE3 H 1 3.117 . . 1 . . . . 43 LYS HE3 . 7399 1 278 . 1 1 43 43 LYS HG2 H 1 1.529 . . 2 . . . . 43 LYS HG2 . 7399 1 279 . 1 1 43 43 LYS HG3 H 1 1.415 . . 2 . . . . 43 LYS HG3 . 7399 1 280 . 1 1 43 43 LYS N N 15 126.78 . . 1 . . . . 43 LYS N . 7399 1 281 . 1 1 44 44 ILE H H 1 8.810 . . 1 . . . . 44 ILE H . 7399 1 282 . 1 1 44 44 ILE HA H 1 4.167 . . 1 . . . . 44 ILE HA . 7399 1 283 . 1 1 44 44 ILE HB H 1 1.816 . . 1 . . . . 44 ILE HB . 7399 1 284 . 1 1 44 44 ILE HD11 H 1 0.998 . . 1 . . . . 44 ILE HD1 . 7399 1 285 . 1 1 44 44 ILE HD12 H 1 0.998 . . 1 . . . . 44 ILE HD1 . 7399 1 286 . 1 1 44 44 ILE HD13 H 1 0.998 . . 1 . . . . 44 ILE HD1 . 7399 1 287 . 1 1 44 44 ILE HG21 H 1 1.093 . . 1 . . . . 44 ILE HG2 . 7399 1 288 . 1 1 44 44 ILE HG22 H 1 1.093 . . 1 . . . . 44 ILE HG2 . 7399 1 289 . 1 1 44 44 ILE HG23 H 1 1.093 . . 1 . . . . 44 ILE HG2 . 7399 1 290 . 1 1 44 44 ILE N N 15 133.179 . . 1 . . . . 44 ILE N . 7399 1 291 . 1 1 45 45 CYS H H 1 9.355 . . 1 . . . . 45 CYS H . 7399 1 292 . 1 1 45 45 CYS HA H 1 5.160 . . 1 . . . . 45 CYS HA . 7399 1 293 . 1 1 45 45 CYS HB2 H 1 3.216 . . 1 . . . . 45 CYS HB2 . 7399 1 294 . 1 1 45 45 CYS HB3 H 1 3.216 . . 1 . . . . 45 CYS HB3 . 7399 1 295 . 1 1 45 45 CYS N N 15 127.5 . . 1 . . . . 45 CYS N . 7399 1 296 . 1 1 46 46 ARG H H 1 7.675 . . 1 . . . . 46 ARG H . 7399 1 297 . 1 1 46 46 ARG HA H 1 4.469 . . 1 . . . . 46 ARG HA . 7399 1 298 . 1 1 46 46 ARG HB2 H 1 2.014 . . 1 . . . . 46 ARG HB2 . 7399 1 299 . 1 1 46 46 ARG HB3 H 1 2.014 . . 1 . . . . 46 ARG HB3 . 7399 1 300 . 1 1 46 46 ARG HD2 H 1 3.396 . . 1 . . . . 46 ARG HD2 . 7399 1 301 . 1 1 46 46 ARG HD3 H 1 3.396 . . 1 . . . . 46 ARG HD3 . 7399 1 302 . 1 1 46 46 ARG HG2 H 1 1.72 . . 2 . . . . 46 ARG HG2 . 7399 1 303 . 1 1 46 46 ARG HG3 H 1 1.49 . . 2 . . . . 46 ARG HG3 . 7399 1 304 . 1 1 46 46 ARG N N 15 126.375 . . 1 . . . . 46 ARG N . 7399 1 305 . 1 1 47 47 ILE H H 1 8.400 . . 1 . . . . 47 ILE H . 7399 1 306 . 1 1 47 47 ILE HA H 1 4.663 . . 1 . . . . 47 ILE HA . 7399 1 307 . 1 1 47 47 ILE HB H 1 1.897 . . 1 . . . . 47 ILE HB . 7399 1 308 . 1 1 47 47 ILE HD11 H 1 0.930 . . 1 . . . . 47 ILE HD1 . 7399 1 309 . 1 1 47 47 ILE HD12 H 1 0.930 . . 1 . . . . 47 ILE HD1 . 7399 1 310 . 1 1 47 47 ILE HD13 H 1 0.930 . . 1 . . . . 47 ILE HD1 . 7399 1 311 . 1 1 47 47 ILE HG12 H 1 1.190 . . 1 . . . . 47 ILE HG12 . 7399 1 312 . 1 1 47 47 ILE HG13 H 1 1.190 . . 1 . . . . 47 ILE HG13 . 7399 1 313 . 1 1 47 47 ILE HG21 H 1 1.031 . . 1 . . . . 47 ILE HG2 . 7399 1 314 . 1 1 47 47 ILE HG22 H 1 1.031 . . 1 . . . . 47 ILE HG2 . 7399 1 315 . 1 1 47 47 ILE HG23 H 1 1.031 . . 1 . . . . 47 ILE HG2 . 7399 1 316 . 1 1 47 47 ILE N N 15 129.510 . . 1 . . . . 47 ILE N . 7399 1 317 . 1 1 48 48 PRO HA H 1 4.491 . . 1 . . . . 48 PRO HA . 7399 1 318 . 1 1 48 48 PRO HB2 H 1 2.304 . . 1 . . . . 48 PRO HB2 . 7399 1 319 . 1 1 48 48 PRO HB3 H 1 2.304 . . 1 . . . . 48 PRO HB3 . 7399 1 320 . 1 1 48 48 PRO HD2 H 1 3.902 . . 1 . . . . 48 PRO HD2 . 7399 1 321 . 1 1 48 48 PRO HD3 H 1 3.902 . . 1 . . . . 48 PRO HD3 . 7399 1 322 . 1 1 48 48 PRO HG2 H 1 2.007 . . 1 . . . . 48 PRO HG2 . 7399 1 323 . 1 1 48 48 PRO HG3 H 1 2.007 . . 1 . . . . 48 PRO HG3 . 7399 1 324 . 1 1 49 49 ARG H H 1 8.331 . . 1 . . . . 49 ARG H . 7399 1 325 . 1 1 49 49 ARG HA H 1 4.398 . . 1 . . . . 49 ARG HA . 7399 1 326 . 1 1 49 49 ARG HB2 H 1 1.925 . . 2 . . . . 49 ARG HB2 . 7399 1 327 . 1 1 49 49 ARG HB3 H 1 1.812 . . 2 . . . . 49 ARG HB3 . 7399 1 328 . 1 1 49 49 ARG HD2 H 1 3.183 . . 2 . . . . 49 ARG HD2 . 7399 1 329 . 1 1 49 49 ARG HD3 H 1 3.136 . . 2 . . . . 49 ARG HD3 . 7399 1 330 . 1 1 49 49 ARG HG2 H 1 1.729 . . 1 . . . . 49 ARG HG2 . 7399 1 331 . 1 1 49 49 ARG HG3 H 1 1.729 . . 1 . . . . 49 ARG HG3 . 7399 1 332 . 1 1 49 49 ARG N N 15 122.965 . . 1 . . . . 49 ARG N . 7399 1 333 . 1 1 50 50 GLY H H 1 8.426 . . 1 . . . . 50 GLY H . 7399 1 334 . 1 1 50 50 GLY HA2 H 1 3.958 . . 2 . . . . 50 GLY HA2 . 7399 1 335 . 1 1 50 50 GLY HA3 H 1 3.915 . . 2 . . . . 50 GLY HA3 . 7399 1 336 . 1 1 50 50 GLY N N 15 114.157 . . 1 . . . . 50 GLY N . 7399 1 337 . 1 1 51 51 GLU H H 1 8.753 . . 1 . . . . 51 GLU H . 7399 1 338 . 1 1 51 51 GLU HA H 1 4.345 . . 1 . . . . 51 GLU HA . 7399 1 339 . 1 1 51 51 GLU HB2 H 1 1.988 . . 2 . . . . 51 GLU HB2 . 7399 1 340 . 1 1 51 51 GLU HB3 H 1 1.988 . . 2 . . . . 51 GLU HB3 . 7399 1 341 . 1 1 51 51 GLU HG2 H 1 2.288 . . 1 . . . . 51 GLU HG2 . 7399 1 342 . 1 1 51 51 GLU HG3 H 1 2.234 . . 1 . . . . 51 GLU HG3 . 7399 1 343 . 1 1 51 51 GLU N N 15 125.37 . . 1 . . . . 51 GLU N . 7399 1 344 . 1 1 52 52 MET H H 1 7.745 . . 1 . . . . 52 MET H . 7399 1 345 . 1 1 52 52 MET HA H 1 4.839 . . 1 . . . . 52 MET HA . 7399 1 346 . 1 1 52 52 MET HB2 H 1 2.08 . . 2 . . . . 52 MET HB2 . 7399 1 347 . 1 1 52 52 MET HB3 H 1 2.01 . . 2 . . . . 52 MET HB3 . 7399 1 348 . 1 1 52 52 MET HG2 H 1 2.693 . . 2 . . . . 52 MET HG2 . 7399 1 349 . 1 1 52 52 MET HG3 H 1 2.574 . . 2 . . . . 52 MET HG3 . 7399 1 350 . 1 1 52 52 MET N N 15 125.080 . . 1 . . . . 52 MET N . 7399 1 351 . 1 1 53 53 PRO HA H 1 4.485 . . 1 . . . . 53 PRO HA . 7399 1 352 . 1 1 53 53 PRO HB2 H 1 2.249 . . 1 . . . . 53 PRO HB2 . 7399 1 353 . 1 1 53 53 PRO HB3 H 1 2.249 . . 1 . . . . 53 PRO HB3 . 7399 1 354 . 1 1 53 53 PRO HD2 H 1 3.797 . . 2 . . . . 53 PRO HD2 . 7399 1 355 . 1 1 53 53 PRO HD3 H 1 3.472 . . 2 . . . . 53 PRO HD3 . 7399 1 356 . 1 1 53 53 PRO HG2 H 1 1.894 . . 1 . . . . 53 PRO HG2 . 7399 1 357 . 1 1 53 53 PRO HG3 H 1 1.894 . . 1 . . . . 53 PRO HG3 . 7399 1 358 . 1 1 54 54 ASP H H 1 8.114 . . 1 . . . . 54 ASP H . 7399 1 359 . 1 1 54 54 ASP HA H 1 4.577 . . 1 . . . . 54 ASP HA . 7399 1 360 . 1 1 54 54 ASP HB2 H 1 2.764 . . 2 . . . . 54 ASP HB2 . 7399 1 361 . 1 1 54 54 ASP HB3 H 1 2.54 . . 2 . . . . 54 ASP HB3 . 7399 1 362 . 1 1 54 54 ASP N N 15 122.385 . . 1 . . . . 54 ASP N . 7399 1 363 . 1 1 55 55 ASP H H 1 8.388 . . 1 . . . . 55 ASP H . 7399 1 364 . 1 1 55 55 ASP HA H 1 5.052 . . 1 . . . . 55 ASP HA . 7399 1 365 . 1 1 55 55 ASP HB2 H 1 2.953 . . 2 . . . . 55 ASP HB2 . 7399 1 366 . 1 1 55 55 ASP HB3 H 1 2.566 . . 2 . . . . 55 ASP HB3 . 7399 1 367 . 1 1 55 55 ASP N N 15 124.758 . . 1 . . . . 55 ASP N . 7399 1 368 . 1 1 56 56 ARG H H 1 8.358 . . 1 . . . . 56 ARG H . 7399 1 369 . 1 1 56 56 ARG HA H 1 5.332 . . 1 . . . . 56 ARG HA . 7399 1 370 . 1 1 56 56 ARG HB2 H 1 1.557 . . 1 . . . . 56 ARG HB2 . 7399 1 371 . 1 1 56 56 ARG HB3 H 1 1.557 . . 1 . . . . 56 ARG HB3 . 7399 1 372 . 1 1 56 56 ARG HD2 H 1 3.221 . . 2 . . . . 56 ARG HD2 . 7399 1 373 . 1 1 56 56 ARG HD3 H 1 3.117 . . 2 . . . . 56 ARG HD3 . 7399 1 374 . 1 1 56 56 ARG HG2 H 1 1.408 . . 1 . . . . 56 ARG HG2 . 7399 1 375 . 1 1 56 56 ARG HG3 H 1 1.408 . . 1 . . . . 56 ARG HG3 . 7399 1 376 . 1 1 56 56 ARG N N 15 123.703 . . 1 . . . . 56 ARG N . 7399 1 377 . 1 1 56 56 ARG NE N 15 126.435 . . 1 . . . . 56 ARG NE . 7399 1 378 . 1 1 57 57 CYS H H 1 9.377 . . 1 . . . . 57 CYS H . 7399 1 379 . 1 1 57 57 CYS HA H 1 4.862 . . 1 . . . . 57 CYS HA . 7399 1 380 . 1 1 57 57 CYS HB2 H 1 3.891 . . 2 . . . . 57 CYS HB2 . 7399 1 381 . 1 1 57 57 CYS HB3 H 1 2.730 . . 2 . . . . 57 CYS HB3 . 7399 1 382 . 1 1 57 57 CYS N N 15 123.897 . . 1 . . . . 57 CYS N . 7399 1 383 . 1 1 58 58 THR H H 1 10.180 . . 1 . . . . 58 THR H . 7399 1 384 . 1 1 58 58 THR HA H 1 4.442 . . 1 . . . . 58 THR HA . 7399 1 385 . 1 1 58 58 THR HB H 1 4.510 . . 1 . . . . 58 THR HB . 7399 1 386 . 1 1 58 58 THR HG21 H 1 1.415 . . 1 . . . . 58 THR HG2 . 7399 1 387 . 1 1 58 58 THR HG22 H 1 1.415 . . 1 . . . . 58 THR HG2 . 7399 1 388 . 1 1 58 58 THR HG23 H 1 1.415 . . 1 . . . . 58 THR HG2 . 7399 1 389 . 1 1 58 58 THR N N 15 117.445 . . 1 . . . . 58 THR N . 7399 1 390 . 1 1 59 59 GLY H H 1 8.546 . . 1 . . . . 59 GLY H . 7399 1 391 . 1 1 59 59 GLY HA2 H 1 4.460 . . 1 . . . . 59 GLY HA2 . 7399 1 392 . 1 1 59 59 GLY HA3 H 1 4.460 . . 1 . . . . 59 GLY HA3 . 7399 1 393 . 1 1 59 59 GLY N N 15 115.88 . . 1 . . . . 59 GLY N . 7399 1 394 . 1 1 60 60 GLN H H 1 7.986 . . 1 . . . . 60 GLN H . 7399 1 395 . 1 1 60 60 GLN HA H 1 4.298 . . 1 . . . . 60 GLN HA . 7399 1 396 . 1 1 60 60 GLN HB2 H 1 2.215 . . 2 . . . . 60 GLN HB2 . 7399 1 397 . 1 1 60 60 GLN HB3 H 1 1.692 . . 2 . . . . 60 GLN HB3 . 7399 1 398 . 1 1 60 60 GLN N N 15 119.027 . . 1 . . . . 60 GLN N . 7399 1 399 . 1 1 60 60 GLN NE2 N 15 115.688 . . 1 . . . . 60 GLN NE2 . 7399 1 400 . 1 1 61 61 SER H H 1 6.630 . . 1 . . . . 61 SER H . 7399 1 401 . 1 1 61 61 SER HA H 1 3.88 . . 1 . . . . 61 SER HA . 7399 1 402 . 1 1 61 61 SER HB2 H 1 3.88 . . 2 . . . . 61 SER HB2 . 7399 1 403 . 1 1 61 61 SER HB3 H 1 3.621 . . 2 . . . . 61 SER HB3 . 7399 1 404 . 1 1 61 61 SER N N 15 114.913 . . 1 . . . . 61 SER N . 7399 1 405 . 1 1 62 62 ALA H H 1 9.027 . . 1 . . . . 62 ALA H . 7399 1 406 . 1 1 62 62 ALA HA H 1 4.435 . . 1 . . . . 62 ALA HA . 7399 1 407 . 1 1 62 62 ALA HB1 H 1 1.827 . . 1 . . . . 62 ALA HB . 7399 1 408 . 1 1 62 62 ALA HB2 H 1 1.827 . . 1 . . . . 62 ALA HB . 7399 1 409 . 1 1 62 62 ALA HB3 H 1 1.827 . . 1 . . . . 62 ALA HB . 7399 1 410 . 1 1 62 62 ALA N N 15 129.628 . . 1 . . . . 62 ALA N . 7399 1 411 . 1 1 63 63 ASP H H 1 8.08 . . 1 . . . . 63 ASP H . 7399 1 412 . 1 1 63 63 ASP HA H 1 4.895 . . 1 . . . . 63 ASP HA . 7399 1 413 . 1 1 63 63 ASP HB2 H 1 2.671 . . 2 . . . . 63 ASP HB2 . 7399 1 414 . 1 1 63 63 ASP HB3 H 1 2.543 . . 2 . . . . 63 ASP HB3 . 7399 1 415 . 1 1 63 63 ASP N N 15 121.506 . . 1 . . . . 63 ASP N . 7399 1 416 . 1 1 64 64 CYS H H 1 8.924 . . 1 . . . . 64 CYS H . 7399 1 417 . 1 1 64 64 CYS HA H 1 5.403 . . 1 . . . . 64 CYS HA . 7399 1 418 . 1 1 64 64 CYS HB2 H 1 3.103 . . 2 . . . . 64 CYS HB2 . 7399 1 419 . 1 1 64 64 CYS HB3 H 1 2.802 . . 2 . . . . 64 CYS HB3 . 7399 1 420 . 1 1 64 64 CYS N N 15 125.936 . . 1 . . . . 64 CYS N . 7399 1 421 . 1 1 65 65 PRO HA H 1 4.375 . . 1 . . . . 65 PRO HA . 7399 1 422 . 1 1 65 65 PRO HB2 H 1 2.216 . . 2 . . . . 65 PRO HB2 . 7399 1 423 . 1 1 65 65 PRO HB3 H 1 1.802 . . 2 . . . . 65 PRO HB3 . 7399 1 424 . 1 1 65 65 PRO HD2 H 1 3.994 . . 2 . . . . 65 PRO HD2 . 7399 1 425 . 1 1 65 65 PRO HD3 H 1 3.733 . . 2 . . . . 65 PRO HD3 . 7399 1 426 . 1 1 65 65 PRO HG2 H 1 2.130 . . 2 . . . . 65 PRO HG2 . 7399 1 427 . 1 1 65 65 PRO HG3 H 1 2.014 . . 2 . . . . 65 PRO HG3 . 7399 1 428 . 1 1 66 66 ARG H H 1 8.203 . . 1 . . . . 66 ARG H . 7399 1 429 . 1 1 66 66 ARG HA H 1 4.362 . . 1 . . . . 66 ARG HA . 7399 1 430 . 1 1 66 66 ARG HB2 H 1 1.82 . . 2 . . . . 66 ARG HB2 . 7399 1 431 . 1 1 66 66 ARG HB3 H 1 1.76 . . 2 . . . . 66 ARG HB3 . 7399 1 432 . 1 1 66 66 ARG HD2 H 1 3.21 . . 1 . . . . 66 ARG HD2 . 7399 1 433 . 1 1 66 66 ARG HD3 H 1 3.21 . . 1 . . . . 66 ARG HD3 . 7399 1 434 . 1 1 66 66 ARG HG2 H 1 1.641 . . 1 . . . . 66 ARG HG2 . 7399 1 435 . 1 1 66 66 ARG HG3 H 1 1.641 . . 1 . . . . 66 ARG HG3 . 7399 1 436 . 1 1 66 66 ARG N N 15 123.58 . . 1 . . . . 66 ARG N . 7399 1 437 . 1 1 67 67 TYR H H 1 8.650 . . 1 . . . . 67 TYR H . 7399 1 438 . 1 1 67 67 TYR HA H 1 4.459 . . 1 . . . . 67 TYR HA . 7399 1 439 . 1 1 67 67 TYR HB2 H 1 3.135 . . 2 . . . . 67 TYR HB2 . 7399 1 440 . 1 1 67 67 TYR HB3 H 1 3.006 . . 2 . . . . 67 TYR HB3 . 7399 1 441 . 1 1 67 67 TYR HD1 H 1 7.163 . . 1 . . . . 67 TYR HD1 . 7399 1 442 . 1 1 67 67 TYR HD2 H 1 7.163 . . 1 . . . . 67 TYR HD2 . 7399 1 443 . 1 1 67 67 TYR HE1 H 1 6.863 . . 1 . . . . 67 TYR HE1 . 7399 1 444 . 1 1 67 67 TYR HE2 H 1 6.863 . . 1 . . . . 67 TYR HE2 . 7399 1 445 . 1 1 67 67 TYR N N 15 128.872 . . 1 . . . . 67 TYR N . 7399 1 446 . 1 1 68 68 HIS H H 1 7.655 . . 1 . . . . 68 HIS H . 7399 1 447 . 1 1 68 68 HIS HA H 1 4.365 . . 1 . . . . 68 HIS HA . 7399 1 448 . 1 1 68 68 HIS HB2 H 1 3.229 . . 2 . . . . 68 HIS HB2 . 7399 1 449 . 1 1 68 68 HIS HB3 H 1 3.09 . . 2 . . . . 68 HIS HB3 . 7399 1 stop_ save_