data_4621 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4621 _Entry.Title ; N-terminal RING finger domain of human NOT-4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-07-12 _Entry.Accession_date 2000-09-07 _Entry.Last_release_date 2001-05-02 _Entry.Original_release_date 2001-05-02 _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 H. Hanzawa . . . 4621 2 M. 'de Ruwe' . J. . 4621 3 T. Albert . K. . 4621 4 P. 'van der Vliet' . C. . 4621 5 H. Timmers . T. . 4621 6 R. Boelens . . . 4621 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4621 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 327 4621 '15N chemical shifts' 80 4621 '1H chemical shifts' 485 4621 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 . . 2001-05-02 2000-07-12 original author . 4621 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1E4U 'BMRB Entry Tracking System' 4621 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4621 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11087754 _Citation.Full_citation . _Citation.Title ; The Structure of the C4C4 RING Finger of Human NOT4 Reveals Features Distinct from Those of C3HC4 RING Fingers ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'Journal of Biological Chemistry' _Citation.Journal_volume 276 _Citation.Journal_issue 13 _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 10185 _Citation.Page_last 10190 _Citation.Year 2001 _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 H. Hanzawa . . . 4621 1 2 M. 'de Ruwe' . J. . 4621 1 3 T. Albert . K. . 4621 1 4 P. 'van der Vliet' . C. . 4621 1 5 H. Timmers . T. . 4621 1 6 R. Boelens . . . 4621 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_NOT4 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_NOT4 _Assembly.Entry_ID 4621 _Assembly.ID 1 _Assembly.Name NOT4 _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 monomer 4621 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 NOT4 1 $NOT4 . . . native . . . . . 4621 1 2 Zn-1 2 $ZN . . . native . . . . . 4621 1 3 Zn-2 2 $ZN . . . native . . . . . 4621 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1E4U . . . . . . 4621 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID NOT4 abbreviation 4621 1 NOT4 system 4621 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NOT4 _Entity.Sf_category entity _Entity.Sf_framecode NOT4 _Entity.Entry_ID 4621 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NOT4 _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 ; GLVPRGSHMLEMSRSPDAKE DPVECPLCMEPLEIDDINFF PCTCGYQICRFCWHRIRTDE NGLCPACRKPYPEDPAVYKP LSQQELQRI ; _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 'There is a prepeptide of sequence GLVPRGSHMLE' _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 PDB 1E4U . "N-Terminal Ring Finger Domain Of Human Not-4" . . . . . 87.64 78 98.72 100.00 1.04e-48 . . . . 4621 1 2 no PDB 1UR6 . "Nmr Based Structural Model Of The Ubch5b-Cnot4 Complex" . . . . . 58.43 52 100.00 100.00 1.01e-29 . . . . 4621 1 3 no DBJ BAB26155 . "unnamed protein product [Mus musculus]" . . . . . 87.64 84 98.72 100.00 5.46e-49 . . . . 4621 1 4 no DBJ BAC25801 . "unnamed protein product [Mus musculus]" . . . . . 87.64 572 98.72 100.00 1.20e-47 . . . . 4621 1 5 no DBJ BAC27779 . "unnamed protein product [Mus musculus]" . . . . . 87.64 575 98.72 100.00 2.99e-48 . . . . 4621 1 6 no DBJ BAE38508 . "unnamed protein product [Mus musculus]" . . . . . 87.64 572 98.72 100.00 1.20e-47 . . . . 4621 1 7 no DBJ BAG11069 . "CCR4-NOT transcription complex subunit 4 [synthetic construct]" . . . . . 87.64 713 98.72 100.00 4.88e-47 . . . . 4621 1 8 no EMBL CAB97536 . "NOT4, potential transcriptional repressor, alternatively spliced product [Homo sapiens]" . . . . . 87.64 572 97.44 98.72 2.84e-47 . . . . 4621 1 9 no EMBL CAG32164 . "hypothetical protein RCJMB04_19d21 [Gallus gallus]" . . . . . 87.64 762 98.72 100.00 5.18e-47 . . . . 4621 1 10 no EMBL CAH90232 . "hypothetical protein [Pongo abelii]" . . . . . 87.64 324 98.72 100.00 2.90e-49 . . . . 4621 1 11 no GB AAD00179 . "potential transcriptional repressor NOT4Hp [Homo sapiens]" . . . . . 87.64 642 98.72 100.00 5.39e-47 . . . . 4621 1 12 no GB AAD00180 . "potential transcriptional repressor NOT4Hp [Homo sapiens]" . . . . . 87.64 575 98.72 100.00 2.05e-48 . . . . 4621 1 13 no GB AAD00181 . "potential transcriptional repressor Not4hp [Mus musculus]" . . . . . 87.64 575 98.72 100.00 3.14e-48 . . . . 4621 1 14 no GB AAF29829 . "Not4-Np [Homo sapiens]" . . . . . 87.64 433 98.72 100.00 1.66e-48 . . . . 4621 1 15 no GB AAH35590 . "CCR4-NOT transcription complex, subunit 4 [Homo sapiens]" . . . . . 87.64 572 98.72 100.00 9.51e-48 . . . . 4621 1 16 no REF NP_001008226 . "CCR4-NOT transcription complex subunit 4 isoform b [Homo sapiens]" . . . . . 87.64 572 98.72 100.00 9.51e-48 . . . . 4621 1 17 no REF NP_001012829 . "CCR4-NOT transcription complex subunit 4 [Gallus gallus]" . . . . . 87.64 762 98.72 100.00 5.18e-47 . . . . 4621 1 18 no REF NP_001030509 . "CCR4-NOT transcription complex subunit 4 [Bos taurus]" . . . . . 87.64 642 98.72 100.00 8.71e-48 . . . . 4621 1 19 no REF NP_001032871 . "CCR4-NOT transcription complex subunit 4 [Rattus norvegicus]" . . . . . 87.64 710 98.72 100.00 8.65e-47 . . . . 4621 1 20 no REF NP_001125097 . "CCR4-NOT transcription complex subunit 4 [Pongo abelii]" . . . . . 87.64 324 98.72 100.00 2.90e-49 . . . . 4621 1 21 no SP O95628 . "RecName: Full=CCR4-NOT transcription complex subunit 4; AltName: Full=CCR4-associated factor 4; AltName: Full=E3 ubiquitin-prot" . . . . . 87.64 575 98.72 100.00 9.77e-48 . . . . 4621 1 22 no SP Q8BT14 . "RecName: Full=CCR4-NOT transcription complex subunit 4; AltName: Full=CCR4-associated factor 4; AltName: Full=E3 ubiquitin-prot" . . . . . 87.64 575 98.72 100.00 3.14e-48 . . . . 4621 1 23 no TPG DAA30359 . "TPA: CCR4-NOT transcription complex, subunit 4 [Bos taurus]" . . . . . 87.64 642 98.72 100.00 8.89e-48 . . . . 4621 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID none variant 4621 1 NOT4 common 4621 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 -11 GLY . 4621 1 2 -10 LEU . 4621 1 3 -9 VAL . 4621 1 4 -8 PRO . 4621 1 5 -7 ARG . 4621 1 6 -6 GLY . 4621 1 7 -5 SER . 4621 1 8 -4 HIS . 4621 1 9 -3 MET . 4621 1 10 -2 LEU . 4621 1 11 -1 GLU . 4621 1 12 1 MET . 4621 1 13 2 SER . 4621 1 14 3 ARG . 4621 1 15 4 SER . 4621 1 16 5 PRO . 4621 1 17 6 ASP . 4621 1 18 7 ALA . 4621 1 19 8 LYS . 4621 1 20 9 GLU . 4621 1 21 10 ASP . 4621 1 22 11 PRO . 4621 1 23 12 VAL . 4621 1 24 13 GLU . 4621 1 25 14 CYS . 4621 1 26 15 PRO . 4621 1 27 16 LEU . 4621 1 28 17 CYS . 4621 1 29 18 MET . 4621 1 30 19 GLU . 4621 1 31 20 PRO . 4621 1 32 21 LEU . 4621 1 33 22 GLU . 4621 1 34 23 ILE . 4621 1 35 24 ASP . 4621 1 36 25 ASP . 4621 1 37 26 ILE . 4621 1 38 27 ASN . 4621 1 39 28 PHE . 4621 1 40 29 PHE . 4621 1 41 30 PRO . 4621 1 42 31 CYS . 4621 1 43 32 THR . 4621 1 44 33 CYS . 4621 1 45 34 GLY . 4621 1 46 35 TYR . 4621 1 47 36 GLN . 4621 1 48 37 ILE . 4621 1 49 38 CYS . 4621 1 50 39 ARG . 4621 1 51 40 PHE . 4621 1 52 41 CYS . 4621 1 53 42 TRP . 4621 1 54 43 HIS . 4621 1 55 44 ARG . 4621 1 56 45 ILE . 4621 1 57 46 ARG . 4621 1 58 47 THR . 4621 1 59 48 ASP . 4621 1 60 49 GLU . 4621 1 61 50 ASN . 4621 1 62 51 GLY . 4621 1 63 52 LEU . 4621 1 64 53 CYS . 4621 1 65 54 PRO . 4621 1 66 55 ALA . 4621 1 67 56 CYS . 4621 1 68 57 ARG . 4621 1 69 58 LYS . 4621 1 70 59 PRO . 4621 1 71 60 TYR . 4621 1 72 61 PRO . 4621 1 73 62 GLU . 4621 1 74 63 ASP . 4621 1 75 64 PRO . 4621 1 76 65 ALA . 4621 1 77 66 VAL . 4621 1 78 67 TYR . 4621 1 79 68 LYS . 4621 1 80 69 PRO . 4621 1 81 70 LEU . 4621 1 82 71 SER . 4621 1 83 72 GLN . 4621 1 84 73 GLN . 4621 1 85 74 GLU . 4621 1 86 75 LEU . 4621 1 87 76 GLN . 4621 1 88 77 ARG . 4621 1 89 78 ILE . 4621 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 4621 1 . LEU 2 2 4621 1 . VAL 3 3 4621 1 . PRO 4 4 4621 1 . ARG 5 5 4621 1 . GLY 6 6 4621 1 . SER 7 7 4621 1 . HIS 8 8 4621 1 . MET 9 9 4621 1 . LEU 10 10 4621 1 . GLU 11 11 4621 1 . MET 12 12 4621 1 . SER 13 13 4621 1 . ARG 14 14 4621 1 . SER 15 15 4621 1 . PRO 16 16 4621 1 . ASP 17 17 4621 1 . ALA 18 18 4621 1 . LYS 19 19 4621 1 . GLU 20 20 4621 1 . ASP 21 21 4621 1 . PRO 22 22 4621 1 . VAL 23 23 4621 1 . GLU 24 24 4621 1 . CYS 25 25 4621 1 . PRO 26 26 4621 1 . LEU 27 27 4621 1 . CYS 28 28 4621 1 . MET 29 29 4621 1 . GLU 30 30 4621 1 . PRO 31 31 4621 1 . LEU 32 32 4621 1 . GLU 33 33 4621 1 . ILE 34 34 4621 1 . ASP 35 35 4621 1 . ASP 36 36 4621 1 . ILE 37 37 4621 1 . ASN 38 38 4621 1 . PHE 39 39 4621 1 . PHE 40 40 4621 1 . PRO 41 41 4621 1 . CYS 42 42 4621 1 . THR 43 43 4621 1 . CYS 44 44 4621 1 . GLY 45 45 4621 1 . TYR 46 46 4621 1 . GLN 47 47 4621 1 . ILE 48 48 4621 1 . CYS 49 49 4621 1 . ARG 50 50 4621 1 . PHE 51 51 4621 1 . CYS 52 52 4621 1 . TRP 53 53 4621 1 . HIS 54 54 4621 1 . ARG 55 55 4621 1 . ILE 56 56 4621 1 . ARG 57 57 4621 1 . THR 58 58 4621 1 . ASP 59 59 4621 1 . GLU 60 60 4621 1 . ASN 61 61 4621 1 . GLY 62 62 4621 1 . LEU 63 63 4621 1 . CYS 64 64 4621 1 . PRO 65 65 4621 1 . ALA 66 66 4621 1 . CYS 67 67 4621 1 . ARG 68 68 4621 1 . LYS 69 69 4621 1 . PRO 70 70 4621 1 . TYR 71 71 4621 1 . PRO 72 72 4621 1 . GLU 73 73 4621 1 . ASP 74 74 4621 1 . PRO 75 75 4621 1 . ALA 76 76 4621 1 . VAL 77 77 4621 1 . TYR 78 78 4621 1 . LYS 79 79 4621 1 . PRO 80 80 4621 1 . LEU 81 81 4621 1 . SER 82 82 4621 1 . GLN 83 83 4621 1 . GLN 84 84 4621 1 . GLU 85 85 4621 1 . LEU 86 86 4621 1 . GLN 87 87 4621 1 . ARG 88 88 4621 1 . ILE 89 89 4621 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 4621 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _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 ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _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 . ZN . 4621 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 4621 _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 $NOT4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4621 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 4621 _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 $NOT4 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 4621 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 4621 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _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 ZN _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 Zn _Chem_comp.Formula_weight 65.409 _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 Mon Jun 13 09:56:56 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 InChI=1S/Zn/q+2 InChI InChI 1.03 4621 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 4621 ZN [Zn++] SMILES CACTVS 3.341 4621 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 4621 ZN [Zn+2] SMILES ACDLabs 10.04 4621 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 4621 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4621 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 4621 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4621 ZN 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 ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4621 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4621 _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 NOT4 . . . 1 $NOT4 . . . . . mM . . . . 4621 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4621 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 4621 1 temperature 300 . K 4621 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4621 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4621 _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 unknown unknown . 0 'spectrometer information not available' . . 4621 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 4621 _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 . . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 4621 1 stop_ 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 4621 _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 C 13 . . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 4621 1 H 1 . . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 4621 1 N 15 . . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 4621 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_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4621 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4621 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 N N 15 110.2 . . . . . . . . . . . 4621 1 2 . 1 1 1 1 GLY H H 1 8.37 . . . . . . . . . . . 4621 1 3 . 1 1 1 1 GLY CA C 13 43.0 . . . . . . . . . . . 4621 1 4 . 1 1 2 2 LEU N N 15 121.2 . . . . . . . . . . . 4621 1 5 . 1 1 2 2 LEU H H 1 8.01 . . . . . . . . . . . 4621 1 6 . 1 1 2 2 LEU CA C 13 52.7 . . . . . . . . . . . 4621 1 7 . 1 1 2 2 LEU CB C 13 40.2 . . . . . . . . . . . 4621 1 8 . 1 1 3 3 VAL N N 15 122.0 . . . . . . . . . . . 4621 1 9 . 1 1 3 3 VAL H H 1 8.05 . . . . . . . . . . . 4621 1 10 . 1 1 3 3 VAL CA C 13 57.4 . . . . . . . . . . . 4621 1 11 . 1 1 3 3 VAL CB C 13 30.5 . . . . . . . . . . . 4621 1 12 . 1 1 4 4 PRO CA C 13 60.9 . . . . . . . . . . . 4621 1 13 . 1 1 4 4 PRO CB C 13 29.8 . . . . . . . . . . . 4621 1 14 . 1 1 5 5 ARG N N 15 121.6 . . . . . . . . . . . 4621 1 15 . 1 1 5 5 ARG H H 1 8.45 . . . . . . . . . . . 4621 1 16 . 1 1 5 5 ARG CA C 13 54.1 . . . . . . . . . . . 4621 1 17 . 1 1 5 5 ARG CB C 13 28.6 . . . . . . . . . . . 4621 1 18 . 1 1 6 6 GLY N N 15 109.9 . . . . . . . . . . . 4621 1 19 . 1 1 6 6 GLY H H 1 8.48 . . . . . . . . . . . 4621 1 20 . 1 1 6 6 GLY CA C 13 43.1 . . . . . . . . . . . 4621 1 21 . 1 1 7 7 SER N N 15 115.3 . . . . . . . . . . . 4621 1 22 . 1 1 7 7 SER H H 1 8.22 . . . . . . . . . . . 4621 1 23 . 1 1 7 7 SER CA C 13 56.2 . . . . . . . . . . . 4621 1 24 . 1 1 7 7 SER CB C 13 61.2 . . . . . . . . . . . 4621 1 25 . 1 1 9 9 MET N N 15 120.5 . . . . . . . . . . . 4621 1 26 . 1 1 9 9 MET H H 1 8.25 . . . . . . . . . . . 4621 1 27 . 1 1 9 9 MET CA C 13 53.7 . . . . . . . . . . . 4621 1 28 . 1 1 9 9 MET CB C 13 30.8 . . . . . . . . . . . 4621 1 29 . 1 1 10 10 LEU N N 15 122.2 . . . . . . . . . . . 4621 1 30 . 1 1 10 10 LEU H H 1 8.18 . . . . . . . . . . . 4621 1 31 . 1 1 10 10 LEU CA C 13 53.2 . . . . . . . . . . . 4621 1 32 . 1 1 10 10 LEU CB C 13 40.0 . . . . . . . . . . . 4621 1 33 . 1 1 11 11 GLU N N 15 120.8 . . . . . . . . . . . 4621 1 34 . 1 1 11 11 GLU H H 1 8.31 . . . . . . . . . . . 4621 1 35 . 1 1 11 11 GLU CA C 13 54.4 . . . . . . . . . . . 4621 1 36 . 1 1 11 11 GLU CB C 13 28.0 . . . . . . . . . . . 4621 1 37 . 1 1 12 12 MET N N 15 120.3 . . . . . . . . . . . 4621 1 38 . 1 1 12 12 MET H H 1 8.15 . . . . . . . . . . . 4621 1 39 . 1 1 12 12 MET CA C 13 53.4 . . . . . . . . . . . 4621 1 40 . 1 1 12 12 MET C C 13 174.0 . . . . . . . . . . . 4621 1 41 . 1 1 12 12 MET CB C 13 30.6 . . . . . . . . . . . 4621 1 42 . 1 1 13 13 SER N N 15 116.3 . . . . . . . . . . . 4621 1 43 . 1 1 13 13 SER H H 1 8.25 . . . . . . . . . . . 4621 1 44 . 1 1 13 13 SER HA H 1 4.43 . . . . . . . . . . . 4621 1 45 . 1 1 13 13 SER CA C 13 56.3 . . . . . . . . . . . 4621 1 46 . 1 1 13 13 SER C C 13 172.0 . . . . . . . . . . . 4621 1 47 . 1 1 13 13 SER CB C 13 61.3 . . . . . . . . . . . 4621 1 48 . 1 1 13 13 SER HB2 H 1 3.87 . . . . . . . . . . . 4621 1 49 . 1 1 14 14 ARG N N 15 122.3 . . . . . . . . . . . 4621 1 50 . 1 1 14 14 ARG H H 1 8.22 . . . . . . . . . . . 4621 1 51 . 1 1 14 14 ARG HA H 1 4.38 . . . . . . . . . . . 4621 1 52 . 1 1 14 14 ARG CA C 13 53.5 . . . . . . . . . . . 4621 1 53 . 1 1 14 14 ARG C C 13 173.7 . . . . . . . . . . . 4621 1 54 . 1 1 14 14 ARG CB C 13 28.9 . . . . . . . . . . . 4621 1 55 . 1 1 14 14 ARG HB2 H 1 1.64 . . . . . . . . . . . 4621 1 56 . 1 1 14 14 ARG HB3 H 1 1.77 . . . . . . . . . . . 4621 1 57 . 1 1 14 14 ARG HG2 H 1 1.86 . . . . . . . . . . . 4621 1 58 . 1 1 14 14 ARG HD3 H 1 3.20 . . . . . . . . . . . 4621 1 59 . 1 1 15 15 SER N N 15 118.6 . . . . . . . . . . . 4621 1 60 . 1 1 15 15 SER H H 1 8.44 . . . . . . . . . . . 4621 1 61 . 1 1 15 15 SER HA H 1 4.40 . . . . . . . . . . . 4621 1 62 . 1 1 15 15 SER CA C 13 53.9 . . . . . . . . . . . 4621 1 63 . 1 1 15 15 SER CB C 13 60.9 . . . . . . . . . . . 4621 1 64 . 1 1 15 15 SER HB2 H 1 3.90 . . . . . . . . . . . 4621 1 65 . 1 1 16 16 PRO HA H 1 4.43 . . . . . . . . . . . 4621 1 66 . 1 1 16 16 PRO CA C 13 61.4 . . . . . . . . . . . 4621 1 67 . 1 1 16 16 PRO C C 13 174.4 . . . . . . . . . . . 4621 1 68 . 1 1 16 16 PRO CB C 13 29.8 . . . . . . . . . . . 4621 1 69 . 1 1 16 16 PRO HB2 H 1 2.31 . . . . . . . . . . . 4621 1 70 . 1 1 16 16 PRO HB3 H 1 1.96 . . . . . . . . . . . 4621 1 71 . 1 1 16 16 PRO HG2 H 1 2.03 . . . . . . . . . . . 4621 1 72 . 1 1 16 16 PRO HD2 H 1 3.77 . . . . . . . . . . . 4621 1 73 . 1 1 16 16 PRO HD3 H 1 3.83 . . . . . . . . . . . 4621 1 74 . 1 1 16 16 PRO CG C 13 24.5 . . . . . . . . . . . 4621 1 75 . 1 1 16 16 PRO CD C 13 48.5 . . . . . . . . . . . 4621 1 76 . 1 1 17 17 ASP N N 15 118.3 . . . . . . . . . . . 4621 1 77 . 1 1 17 17 ASP H H 1 8.19 . . . . . . . . . . . 4621 1 78 . 1 1 17 17 ASP HA H 1 4.54 . . . . . . . . . . . 4621 1 79 . 1 1 17 17 ASP CA C 13 51.8 . . . . . . . . . . . 4621 1 80 . 1 1 17 17 ASP C C 13 173.5 . . . . . . . . . . . 4621 1 81 . 1 1 17 17 ASP CB C 13 38.9 . . . . . . . . . . . 4621 1 82 . 1 1 17 17 ASP HB2 H 1 2.57 . . . . . . . . . . . 4621 1 83 . 1 1 17 17 ASP HB3 H 1 2.69 . . . . . . . . . . . 4621 1 84 . 1 1 18 18 ALA N N 15 123.8 . . . . . . . . . . . 4621 1 85 . 1 1 18 18 ALA H H 1 7.93 . . . . . . . . . . . 4621 1 86 . 1 1 18 18 ALA HA H 1 4.30 . . . . . . . . . . . 4621 1 87 . 1 1 18 18 ALA CA C 13 50.2 . . . . . . . . . . . 4621 1 88 . 1 1 18 18 ALA C C 13 175.2 . . . . . . . . . . . 4621 1 89 . 1 1 18 18 ALA CB C 13 17.2 . . . . . . . . . . . 4621 1 90 . 1 1 18 18 ALA HB1 H 1 1.39 . . . . . . . . . . . 4621 1 91 . 1 1 18 18 ALA HB2 H 1 1.39 . . . . . . . . . . . 4621 1 92 . 1 1 18 18 ALA HB3 H 1 1.39 . . . . . . . . . . . 4621 1 93 . 1 1 19 19 LYS N N 15 120.5 . . . . . . . . . . . 4621 1 94 . 1 1 19 19 LYS H H 1 8.25 . . . . . . . . . . . 4621 1 95 . 1 1 19 19 LYS HA H 1 4.30 . . . . . . . . . . . 4621 1 96 . 1 1 19 19 LYS CA C 13 53.7 . . . . . . . . . . . 4621 1 97 . 1 1 19 19 LYS C C 13 174.1 . . . . . . . . . . . 4621 1 98 . 1 1 19 19 LYS CB C 13 30.8 . . . . . . . . . . . 4621 1 99 . 1 1 19 19 LYS HB2 H 1 1.84 . . . . . . . . . . . 4621 1 100 . 1 1 19 19 LYS HB3 H 1 1.77 . . . . . . . . . . . 4621 1 101 . 1 1 19 19 LYS HG2 H 1 1.43 . . . . . . . . . . . 4621 1 102 . 1 1 19 19 LYS HD2 H 1 1.68 . . . . . . . . . . . 4621 1 103 . 1 1 19 19 LYS HE2 H 1 3.02 . . . . . . . . . . . 4621 1 104 . 1 1 19 19 LYS CG C 13 22.3 . . . . . . . . . . . 4621 1 105 . 1 1 19 19 LYS CD C 13 26.7 . . . . . . . . . . . 4621 1 106 . 1 1 19 19 LYS CE C 13 40.0 . . . . . . . . . . . 4621 1 107 . 1 1 20 20 GLU N N 15 121.4 . . . . . . . . . . . 4621 1 108 . 1 1 20 20 GLU H H 1 8.35 . . . . . . . . . . . 4621 1 109 . 1 1 20 20 GLU HA H 1 4.31 . . . . . . . . . . . 4621 1 110 . 1 1 20 20 GLU CA C 13 53.7 . . . . . . . . . . . 4621 1 111 . 1 1 20 20 GLU C C 13 173.6 . . . . . . . . . . . 4621 1 112 . 1 1 20 20 GLU CB C 13 28.4 . . . . . . . . . . . 4621 1 113 . 1 1 20 20 GLU HB2 H 1 2.02 . . . . . . . . . . . 4621 1 114 . 1 1 20 20 GLU HB3 H 1 1.85 . . . . . . . . . . . 4621 1 115 . 1 1 20 20 GLU CG C 13 34.0 . . . . . . . . . . . 4621 1 116 . 1 1 20 20 GLU HG2 H 1 2.24 . . . . . . . . . . . 4621 1 117 . 1 1 21 21 ASP N N 15 122.5 . . . . . . . . . . . 4621 1 118 . 1 1 21 21 ASP H H 1 8.32 . . . . . . . . . . . 4621 1 119 . 1 1 21 21 ASP HA H 1 4.86 . . . . . . . . . . . 4621 1 120 . 1 1 21 21 ASP CA C 13 50.5 . . . . . . . . . . . 4621 1 121 . 1 1 21 21 ASP CB C 13 38.2 . . . . . . . . . . . 4621 1 122 . 1 1 21 21 ASP HB2 H 1 2.43 . . . . . . . . . . . 4621 1 123 . 1 1 21 21 ASP HB3 H 1 2.67 . . . . . . . . . . . 4621 1 124 . 1 1 22 22 PRO HA H 1 4.45 . . . . . . . . . . . 4621 1 125 . 1 1 22 22 PRO CA C 13 60.6 . . . . . . . . . . . 4621 1 126 . 1 1 22 22 PRO C C 13 174.3 . . . . . . . . . . . 4621 1 127 . 1 1 22 22 PRO CB C 13 30.0 . . . . . . . . . . . 4621 1 128 . 1 1 22 22 PRO HB2 H 1 2.27 . . . . . . . . . . . 4621 1 129 . 1 1 22 22 PRO HB3 H 1 1.84 . . . . . . . . . . . 4621 1 130 . 1 1 22 22 PRO HG2 H 1 2.01 . . . . . . . . . . . 4621 1 131 . 1 1 22 22 PRO HD2 H 1 3.69 . . . . . . . . . . . 4621 1 132 . 1 1 22 22 PRO HD3 H 1 3.83 . . . . . . . . . . . 4621 1 133 . 1 1 22 22 PRO CG C 13 24.6 . . . . . . . . . . . 4621 1 134 . 1 1 22 22 PRO CD C 13 48.3 . . . . . . . . . . . 4621 1 135 . 1 1 23 23 VAL N N 15 120.5 . . . . . . . . . . . 4621 1 136 . 1 1 23 23 VAL H H 1 8.29 . . . . . . . . . . . 4621 1 137 . 1 1 23 23 VAL HA H 1 4.05 . . . . . . . . . . . 4621 1 138 . 1 1 23 23 VAL CA C 13 60.0 . . . . . . . . . . . 4621 1 139 . 1 1 23 23 VAL C C 13 173.1 . . . . . . . . . . . 4621 1 140 . 1 1 23 23 VAL CB C 13 30.4 . . . . . . . . . . . 4621 1 141 . 1 1 23 23 VAL HB H 1 1.96 . . . . . . . . . . . 4621 1 142 . 1 1 23 23 VAL HG11 H 1 0.90 . . . . . . . . . . . 4621 1 143 . 1 1 23 23 VAL HG12 H 1 0.90 . . . . . . . . . . . 4621 1 144 . 1 1 23 23 VAL HG13 H 1 0.90 . . . . . . . . . . . 4621 1 145 . 1 1 23 23 VAL HG21 H 1 0.96 . . . . . . . . . . . 4621 1 146 . 1 1 23 23 VAL HG22 H 1 0.96 . . . . . . . . . . . 4621 1 147 . 1 1 23 23 VAL HG23 H 1 0.96 . . . . . . . . . . . 4621 1 148 . 1 1 23 23 VAL CG1 C 13 19.4 . . . . . . . . . . . 4621 1 149 . 1 1 23 23 VAL CG2 C 13 18.7 . . . . . . . . . . . 4621 1 150 . 1 1 24 24 GLU N N 15 123.7 . . . . . . . . . . . 4621 1 151 . 1 1 24 24 GLU H H 1 8.30 . . . . . . . . . . . 4621 1 152 . 1 1 24 24 GLU HA H 1 4.65 . . . . . . . . . . . 4621 1 153 . 1 1 24 24 GLU CA C 13 51.9 . . . . . . . . . . . 4621 1 154 . 1 1 24 24 GLU C C 13 173.0 . . . . . . . . . . . 4621 1 155 . 1 1 24 24 GLU CB C 13 30.4 . . . . . . . . . . . 4621 1 156 . 1 1 24 24 GLU HB2 H 1 1.65 . . . . . . . . . . . 4621 1 157 . 1 1 24 24 GLU HB3 H 1 1.59 . . . . . . . . . . . 4621 1 158 . 1 1 24 24 GLU HG2 H 1 1.93 . . . . . . . . . . . 4621 1 159 . 1 1 24 24 GLU CG C 13 33.3 . . . . . . . . . . . 4621 1 160 . 1 1 25 25 CYS N N 15 126.2 . . . . . . . . . . . 4621 1 161 . 1 1 25 25 CYS H H 1 8.57 . . . . . . . . . . . 4621 1 162 . 1 1 25 25 CYS HA H 1 4.55 . . . . . . . . . . . 4621 1 163 . 1 1 25 25 CYS CA C 13 54.3 . . . . . . . . . . . 4621 1 164 . 1 1 25 25 CYS CB C 13 29.4 . . . . . . . . . . . 4621 1 165 . 1 1 25 25 CYS HB2 H 1 3.63 . . . . . . . . . . . 4621 1 166 . 1 1 25 25 CYS HB3 H 1 2.80 . . . . . . . . . . . 4621 1 167 . 1 1 26 26 PRO HA H 1 4.55 . . . . . . . . . . . 4621 1 168 . 1 1 26 26 PRO CA C 13 62.0 . . . . . . . . . . . 4621 1 169 . 1 1 26 26 PRO C C 13 174.5 . . . . . . . . . . . 4621 1 170 . 1 1 26 26 PRO CB C 13 30.2 . . . . . . . . . . . 4621 1 171 . 1 1 26 26 PRO HB2 H 1 2.38 . . . . . . . . . . . 4621 1 172 . 1 1 26 26 PRO HB3 H 1 2.12 . . . . . . . . . . . 4621 1 173 . 1 1 26 26 PRO HG2 H 1 1.94 . . . . . . . . . . . 4621 1 174 . 1 1 26 26 PRO HD2 H 1 3.82 . . . . . . . . . . . 4621 1 175 . 1 1 26 26 PRO HD3 H 1 4.43 . . . . . . . . . . . 4621 1 176 . 1 1 26 26 PRO CG C 13 25.0 . . . . . . . . . . . 4621 1 177 . 1 1 26 26 PRO CD C 13 49.3 . . . . . . . . . . . 4621 1 178 . 1 1 27 27 LEU N N 15 120.7 . . . . . . . . . . . 4621 1 179 . 1 1 27 27 LEU H H 1 8.79 . . . . . . . . . . . 4621 1 180 . 1 1 27 27 LEU HA H 1 4.62 . . . . . . . . . . . 4621 1 181 . 1 1 27 27 LEU CA C 13 54.2 . . . . . . . . . . . 4621 1 182 . 1 1 27 27 LEU C C 13 175.5 . . . . . . . . . . . 4621 1 183 . 1 1 27 27 LEU CB C 13 40.8 . . . . . . . . . . . 4621 1 184 . 1 1 27 27 LEU HB2 H 1 1.71 . . . . . . . . . . . 4621 1 185 . 1 1 27 27 LEU HB3 H 1 2.53 . . . . . . . . . . . 4621 1 186 . 1 1 27 27 LEU HG H 1 1.81 . . . . . . . . . . . 4621 1 187 . 1 1 27 27 LEU HD11 H 1 1.14 . . . . . . . . . . . 4621 1 188 . 1 1 27 27 LEU HD12 H 1 1.14 . . . . . . . . . . . 4621 1 189 . 1 1 27 27 LEU HD13 H 1 1.14 . . . . . . . . . . . 4621 1 190 . 1 1 27 27 LEU HD21 H 1 1.01 . . . . . . . . . . . 4621 1 191 . 1 1 27 27 LEU HD22 H 1 1.01 . . . . . . . . . . . 4621 1 192 . 1 1 27 27 LEU HD23 H 1 1.01 . . . . . . . . . . . 4621 1 193 . 1 1 27 27 LEU CG C 13 25.4 . . . . . . . . . . . 4621 1 194 . 1 1 27 27 LEU CD1 C 13 25.0 . . . . . . . . . . . 4621 1 195 . 1 1 27 27 LEU CD2 C 13 21.0 . . . . . . . . . . . 4621 1 196 . 1 1 28 28 CYS N N 15 117.3 . . . . . . . . . . . 4621 1 197 . 1 1 28 28 CYS H H 1 7.93 . . . . . . . . . . . 4621 1 198 . 1 1 28 28 CYS HA H 1 4.78 . . . . . . . . . . . 4621 1 199 . 1 1 28 28 CYS CA C 13 56.5 . . . . . . . . . . . 4621 1 200 . 1 1 28 28 CYS C C 13 173.8 . . . . . . . . . . . 4621 1 201 . 1 1 28 28 CYS CB C 13 29.8 . . . . . . . . . . . 4621 1 202 . 1 1 28 28 CYS HB2 H 1 2.64 . . . . . . . . . . . 4621 1 203 . 1 1 28 28 CYS HB3 H 1 3.23 . . . . . . . . . . . 4621 1 204 . 1 1 29 29 MET N N 15 117.4 . . . . . . . . . . . 4621 1 205 . 1 1 29 29 MET H H 1 7.97 . . . . . . . . . . . 4621 1 206 . 1 1 29 29 MET HA H 1 4.25 . . . . . . . . . . . 4621 1 207 . 1 1 29 29 MET CA C 13 55.2 . . . . . . . . . . . 4621 1 208 . 1 1 29 29 MET C C 13 172.4 . . . . . . . . . . . 4621 1 209 . 1 1 29 29 MET CB C 13 26.6 . . . . . . . . . . . 4621 1 210 . 1 1 29 29 MET HB2 H 1 2.27 . . . . . . . . . . . 4621 1 211 . 1 1 29 29 MET HG2 H 1 2.39 . . . . . . . . . . . 4621 1 212 . 1 1 29 29 MET HE1 H 1 2.11 . . . . . . . . . . . 4621 1 213 . 1 1 29 29 MET HE2 H 1 2.11 . . . . . . . . . . . 4621 1 214 . 1 1 29 29 MET HE3 H 1 2.11 . . . . . . . . . . . 4621 1 215 . 1 1 29 29 MET CG C 13 30.8 . . . . . . . . . . . 4621 1 216 . 1 1 29 29 MET CE C 13 14.4 . . . . . . . . . . . 4621 1 217 . 1 1 30 30 GLU N N 15 119.7 . . . . . . . . . . . 4621 1 218 . 1 1 30 30 GLU H H 1 8.17 . . . . . . . . . . . 4621 1 219 . 1 1 30 30 GLU HA H 1 4.76 . . . . . . . . . . . 4621 1 220 . 1 1 30 30 GLU CA C 13 51.9 . . . . . . . . . . . 4621 1 221 . 1 1 30 30 GLU CB C 13 27.4 . . . . . . . . . . . 4621 1 222 . 1 1 30 30 GLU HB2 H 1 2.18 . . . . . . . . . . . 4621 1 223 . 1 1 30 30 GLU HG2 H 1 1.99 . . . . . . . . . . . 4621 1 224 . 1 1 30 30 GLU HG3 H 1 2.39 . . . . . . . . . . . 4621 1 225 . 1 1 30 30 GLU CG C 13 33.8 . . . . . . . . . . . 4621 1 226 . 1 1 31 31 PRO HA H 1 4.54 . . . . . . . . . . . 4621 1 227 . 1 1 31 31 PRO CA C 13 60.2 . . . . . . . . . . . 4621 1 228 . 1 1 31 31 PRO C C 13 174.9 . . . . . . . . . . . 4621 1 229 . 1 1 31 31 PRO CB C 13 29.7 . . . . . . . . . . . 4621 1 230 . 1 1 31 31 PRO HB2 H 1 2.22 . . . . . . . . . . . 4621 1 231 . 1 1 31 31 PRO HB3 H 1 1.85 . . . . . . . . . . . 4621 1 232 . 1 1 31 31 PRO HD2 H 1 3.88 . . . . . . . . . . . 4621 1 233 . 1 1 31 31 PRO CG C 13 25.0 . . . . . . . . . . . 4621 1 234 . 1 1 31 31 PRO CD C 13 48.2 . . . . . . . . . . . 4621 1 235 . 1 1 32 32 LEU N N 15 122.7 . . . . . . . . . . . 4621 1 236 . 1 1 32 32 LEU H H 1 8.36 . . . . . . . . . . . 4621 1 237 . 1 1 32 32 LEU HA H 1 4.36 . . . . . . . . . . . 4621 1 238 . 1 1 32 32 LEU CA C 13 52.7 . . . . . . . . . . . 4621 1 239 . 1 1 32 32 LEU C C 13 175.7 . . . . . . . . . . . 4621 1 240 . 1 1 32 32 LEU CB C 13 39.4 . . . . . . . . . . . 4621 1 241 . 1 1 32 32 LEU HB2 H 1 1.32 . . . . . . . . . . . 4621 1 242 . 1 1 32 32 LEU HB3 H 1 1.45 . . . . . . . . . . . 4621 1 243 . 1 1 32 32 LEU HG H 1 2.02 . . . . . . . . . . . 4621 1 244 . 1 1 32 32 LEU HD11 H 1 0.70 . . . . . . . . . . . 4621 1 245 . 1 1 32 32 LEU HD12 H 1 0.70 . . . . . . . . . . . 4621 1 246 . 1 1 32 32 LEU HD13 H 1 0.70 . . . . . . . . . . . 4621 1 247 . 1 1 32 32 LEU HD21 H 1 0.59 . . . . . . . . . . . 4621 1 248 . 1 1 32 32 LEU HD22 H 1 0.59 . . . . . . . . . . . 4621 1 249 . 1 1 32 32 LEU HD23 H 1 0.59 . . . . . . . . . . . 4621 1 250 . 1 1 32 32 LEU CG C 13 24.4 . . . . . . . . . . . 4621 1 251 . 1 1 32 32 LEU CD1 C 13 21.1 . . . . . . . . . . . 4621 1 252 . 1 1 32 32 LEU CD2 C 13 23.3 . . . . . . . . . . . 4621 1 253 . 1 1 33 33 GLU N N 15 123.0 . . . . . . . . . . . 4621 1 254 . 1 1 33 33 GLU H H 1 9.23 . . . . . . . . . . . 4621 1 255 . 1 1 33 33 GLU HA H 1 4.36 . . . . . . . . . . . 4621 1 256 . 1 1 33 33 GLU CA C 13 53.0 . . . . . . . . . . . 4621 1 257 . 1 1 33 33 GLU C C 13 176.1 . . . . . . . . . . . 4621 1 258 . 1 1 33 33 GLU CB C 13 28.6 . . . . . . . . . . . 4621 1 259 . 1 1 33 33 GLU HB2 H 1 2.30 . . . . . . . . . . . 4621 1 260 . 1 1 33 33 GLU HB3 H 1 1.88 . . . . . . . . . . . 4621 1 261 . 1 1 33 33 GLU HG2 H 1 2.36 . . . . . . . . . . . 4621 1 262 . 1 1 33 33 GLU HG3 H 1 2.47 . . . . . . . . . . . 4621 1 263 . 1 1 33 33 GLU CG C 13 34.2 . . . . . . . . . . . 4621 1 264 . 1 1 34 34 ILE N N 15 121.7 . . . . . . . . . . . 4621 1 265 . 1 1 34 34 ILE H H 1 8.65 . . . . . . . . . . . 4621 1 266 . 1 1 34 34 ILE HA H 1 3.86 . . . . . . . . . . . 4621 1 267 . 1 1 34 34 ILE CA C 13 61.6 . . . . . . . . . . . 4621 1 268 . 1 1 34 34 ILE C C 13 175.4 . . . . . . . . . . . 4621 1 269 . 1 1 34 34 ILE CB C 13 35.6 . . . . . . . . . . . 4621 1 270 . 1 1 34 34 ILE HB H 1 1.90 . . . . . . . . . . . 4621 1 271 . 1 1 34 34 ILE HG12 H 1 1.49 . . . . . . . . . . . 4621 1 272 . 1 1 34 34 ILE HG13 H 1 1.31 . . . . . . . . . . . 4621 1 273 . 1 1 34 34 ILE HG21 H 1 0.93 . . . . . . . . . . . 4621 1 274 . 1 1 34 34 ILE HG22 H 1 0.93 . . . . . . . . . . . 4621 1 275 . 1 1 34 34 ILE HG23 H 1 0.93 . . . . . . . . . . . 4621 1 276 . 1 1 34 34 ILE HD11 H 1 0.90 . . . . . . . . . . . 4621 1 277 . 1 1 34 34 ILE HD12 H 1 0.90 . . . . . . . . . . . 4621 1 278 . 1 1 34 34 ILE HD13 H 1 0.90 . . . . . . . . . . . 4621 1 279 . 1 1 34 34 ILE CG1 C 13 26.4 . . . . . . . . . . . 4621 1 280 . 1 1 34 34 ILE CG2 C 13 15.4 . . . . . . . . . . . 4621 1 281 . 1 1 34 34 ILE CD1 C 13 11.1 . . . . . . . . . . . 4621 1 282 . 1 1 35 35 ASP N N 15 117.2 . . . . . . . . . . . 4621 1 283 . 1 1 35 35 ASP H H 1 8.25 . . . . . . . . . . . 4621 1 284 . 1 1 35 35 ASP HA H 1 4.41 . . . . . . . . . . . 4621 1 285 . 1 1 35 35 ASP CA C 13 54.0 . . . . . . . . . . . 4621 1 286 . 1 1 35 35 ASP C C 13 174.8 . . . . . . . . . . . 4621 1 287 . 1 1 35 35 ASP CB C 13 38.3 . . . . . . . . . . . 4621 1 288 . 1 1 35 35 ASP HB2 H 1 2.56 . . . . . . . . . . . 4621 1 289 . 1 1 35 35 ASP HB3 H 1 2.37 . . . . . . . . . . . 4621 1 290 . 1 1 36 36 ASP N N 15 117.2 . . . . . . . . . . . 4621 1 291 . 1 1 36 36 ASP H H 1 7.80 . . . . . . . . . . . 4621 1 292 . 1 1 36 36 ASP HA H 1 4.74 . . . . . . . . . . . 4621 1 293 . 1 1 36 36 ASP CA C 13 52.6 . . . . . . . . . . . 4621 1 294 . 1 1 36 36 ASP C C 13 175.4 . . . . . . . . . . . 4621 1 295 . 1 1 36 36 ASP CB C 13 40.5 . . . . . . . . . . . 4621 1 296 . 1 1 36 36 ASP HB2 H 1 2.64 . . . . . . . . . . . 4621 1 297 . 1 1 36 36 ASP HB3 H 1 2.91 . . . . . . . . . . . 4621 1 298 . 1 1 37 37 ILE N N 15 120.0 . . . . . . . . . . . 4621 1 299 . 1 1 37 37 ILE H H 1 7.47 . . . . . . . . . . . 4621 1 300 . 1 1 37 37 ILE HA H 1 3.63 . . . . . . . . . . . 4621 1 301 . 1 1 37 37 ILE CA C 13 61.5 . . . . . . . . . . . 4621 1 302 . 1 1 37 37 ILE C C 13 174.1 . . . . . . . . . . . 4621 1 303 . 1 1 37 37 ILE CB C 13 35.6 . . . . . . . . . . . 4621 1 304 . 1 1 37 37 ILE HB H 1 1.88 . . . . . . . . . . . 4621 1 305 . 1 1 37 37 ILE HG12 H 1 1.26 . . . . . . . . . . . 4621 1 306 . 1 1 37 37 ILE HG13 H 1 1.49 . . . . . . . . . . . 4621 1 307 . 1 1 37 37 ILE HG21 H 1 0.89 . . . . . . . . . . . 4621 1 308 . 1 1 37 37 ILE HG22 H 1 0.89 . . . . . . . . . . . 4621 1 309 . 1 1 37 37 ILE HG23 H 1 0.89 . . . . . . . . . . . 4621 1 310 . 1 1 37 37 ILE HD11 H 1 0.80 . . . . . . . . . . . 4621 1 311 . 1 1 37 37 ILE HD12 H 1 0.80 . . . . . . . . . . . 4621 1 312 . 1 1 37 37 ILE HD13 H 1 0.80 . . . . . . . . . . . 4621 1 313 . 1 1 37 37 ILE CG1 C 13 26.6 . . . . . . . . . . . 4621 1 314 . 1 1 37 37 ILE CG2 C 13 15.8 . . . . . . . . . . . 4621 1 315 . 1 1 37 37 ILE CD1 C 13 11.3 . . . . . . . . . . . 4621 1 316 . 1 1 38 38 ASN N N 15 116.4 . . . . . . . . . . . 4621 1 317 . 1 1 38 38 ASN H H 1 7.77 . . . . . . . . . . . 4621 1 318 . 1 1 38 38 ASN HA H 1 4.89 . . . . . . . . . . . 4621 1 319 . 1 1 38 38 ASN CA C 13 49.8 . . . . . . . . . . . 4621 1 320 . 1 1 38 38 ASN C C 13 171.0 . . . . . . . . . . . 4621 1 321 . 1 1 38 38 ASN CB C 13 36.7 . . . . . . . . . . . 4621 1 322 . 1 1 38 38 ASN HB2 H 1 3.02 . . . . . . . . . . . 4621 1 323 . 1 1 38 38 ASN HB3 H 1 2.62 . . . . . . . . . . . 4621 1 324 . 1 1 38 38 ASN HD21 H 1 7.56 . . . . . . . . . . . 4621 1 325 . 1 1 38 38 ASN HD22 H 1 6.91 . . . . . . . . . . . 4621 1 326 . 1 1 38 38 ASN ND2 N 15 112.8 . . . . . . . . . . . 4621 1 327 . 1 1 39 39 PHE N N 15 121.3 . . . . . . . . . . . 4621 1 328 . 1 1 39 39 PHE H H 1 7.11 . . . . . . . . . . . 4621 1 329 . 1 1 39 39 PHE HA H 1 4.59 . . . . . . . . . . . 4621 1 330 . 1 1 39 39 PHE CA C 13 54.2 . . . . . . . . . . . 4621 1 331 . 1 1 39 39 PHE C C 13 170.7 . . . . . . . . . . . 4621 1 332 . 1 1 39 39 PHE CB C 13 37.4 . . . . . . . . . . . 4621 1 333 . 1 1 39 39 PHE HB2 H 1 3.12 . . . . . . . . . . . 4621 1 334 . 1 1 39 39 PHE HB3 H 1 2.92 . . . . . . . . . . . 4621 1 335 . 1 1 39 39 PHE HD1 H 1 7.11 . . . . . . . . . . . 4621 1 336 . 1 1 39 39 PHE HE1 H 1 6.42 . . . . . . . . . . . 4621 1 337 . 1 1 39 39 PHE HZ H 1 5.16 . . . . . . . . . . . 4621 1 338 . 1 1 40 40 PHE N N 15 125.7 . . . . . . . . . . . 4621 1 339 . 1 1 40 40 PHE H H 1 8.23 . . . . . . . . . . . 4621 1 340 . 1 1 40 40 PHE HA H 1 4.75 . . . . . . . . . . . 4621 1 341 . 1 1 40 40 PHE CA C 13 52.5 . . . . . . . . . . . 4621 1 342 . 1 1 40 40 PHE CB C 13 37.4 . . . . . . . . . . . 4621 1 343 . 1 1 40 40 PHE HB2 H 1 2.60 . . . . . . . . . . . 4621 1 344 . 1 1 40 40 PHE HB3 H 1 2.78 . . . . . . . . . . . 4621 1 345 . 1 1 40 40 PHE HD1 H 1 7.03 . . . . . . . . . . . 4621 1 346 . 1 1 40 40 PHE HE1 H 1 7.24 . . . . . . . . . . . 4621 1 347 . 1 1 40 40 PHE HZ H 1 7.24 . . . . . . . . . . . 4621 1 348 . 1 1 41 41 PRO HA H 1 3.74 . . . . . . . . . . . 4621 1 349 . 1 1 41 41 PRO CA C 13 61.0 . . . . . . . . . . . 4621 1 350 . 1 1 41 41 PRO C C 13 173.3 . . . . . . . . . . . 4621 1 351 . 1 1 41 41 PRO CB C 13 29.5 . . . . . . . . . . . 4621 1 352 . 1 1 41 41 PRO HB2 H 1 1.16 . . . . . . . . . . . 4621 1 353 . 1 1 41 41 PRO HB3 H 1 0.97 . . . . . . . . . . . 4621 1 354 . 1 1 41 41 PRO HG2 H 1 2.00 . . . . . . . . . . . 4621 1 355 . 1 1 41 41 PRO HG3 H 1 1.30 . . . . . . . . . . . 4621 1 356 . 1 1 41 41 PRO HD2 H 1 3.58 . . . . . . . . . . . 4621 1 357 . 1 1 41 41 PRO HD3 H 1 1.83 . . . . . . . . . . . 4621 1 358 . 1 1 41 41 PRO CG C 13 23.2 . . . . . . . . . . . 4621 1 359 . 1 1 41 41 PRO CD C 13 47.2 . . . . . . . . . . . 4621 1 360 . 1 1 42 42 CYS N N 15 119.8 . . . . . . . . . . . 4621 1 361 . 1 1 42 42 CYS H H 1 8.56 . . . . . . . . . . . 4621 1 362 . 1 1 42 42 CYS HA H 1 5.02 . . . . . . . . . . . 4621 1 363 . 1 1 42 42 CYS CA C 13 56.1 . . . . . . . . . . . 4621 1 364 . 1 1 42 42 CYS C C 13 175.1 . . . . . . . . . . . 4621 1 365 . 1 1 42 42 CYS CB C 13 31.2 . . . . . . . . . . . 4621 1 366 . 1 1 42 42 CYS HB2 H 1 2.95 . . . . . . . . . . . 4621 1 367 . 1 1 42 42 CYS HB3 H 1 3.24 . . . . . . . . . . . 4621 1 368 . 1 1 43 43 THR N N 15 124.0 . . . . . . . . . . . 4621 1 369 . 1 1 43 43 THR H H 1 8.53 . . . . . . . . . . . 4621 1 370 . 1 1 43 43 THR HA H 1 4.09 . . . . . . . . . . . 4621 1 371 . 1 1 43 43 THR CA C 13 62.1 . . . . . . . . . . . 4621 1 372 . 1 1 43 43 THR C C 13 173.9 . . . . . . . . . . . 4621 1 373 . 1 1 43 43 THR CB C 13 66.2 . . . . . . . . . . . 4621 1 374 . 1 1 43 43 THR HB H 1 4.39 . . . . . . . . . . . 4621 1 375 . 1 1 43 43 THR HG21 H 1 1.31 . . . . . . . . . . . 4621 1 376 . 1 1 43 43 THR HG22 H 1 1.31 . . . . . . . . . . . 4621 1 377 . 1 1 43 43 THR HG23 H 1 1.31 . . . . . . . . . . . 4621 1 378 . 1 1 43 43 THR CG2 C 13 19.5 . . . . . . . . . . . 4621 1 379 . 1 1 44 44 CYS N N 15 125.5 . . . . . . . . . . . 4621 1 380 . 1 1 44 44 CYS H H 1 9.56 . . . . . . . . . . . 4621 1 381 . 1 1 44 44 CYS HA H 1 4.59 . . . . . . . . . . . 4621 1 382 . 1 1 44 44 CYS CA C 13 58.1 . . . . . . . . . . . 4621 1 383 . 1 1 44 44 CYS C C 13 174.9 . . . . . . . . . . . 4621 1 384 . 1 1 44 44 CYS CB C 13 27.6 . . . . . . . . . . . 4621 1 385 . 1 1 44 44 CYS HB2 H 1 2.94 . . . . . . . . . . . 4621 1 386 . 1 1 44 44 CYS HB3 H 1 3.32 . . . . . . . . . . . 4621 1 387 . 1 1 45 45 GLY N N 15 108.6 . . . . . . . . . . . 4621 1 388 . 1 1 45 45 GLY H H 1 7.74 . . . . . . . . . . . 4621 1 389 . 1 1 45 45 GLY HA2 H 1 3.60 . . . . . . . . . . . 4621 1 390 . 1 1 45 45 GLY HA3 H 1 4.39 . . . . . . . . . . . 4621 1 391 . 1 1 45 45 GLY CA C 13 43.0 . . . . . . . . . . . 4621 1 392 . 1 1 45 45 GLY C C 13 171.0 . . . . . . . . . . . 4621 1 393 . 1 1 46 46 TYR N N 15 124.4 . . . . . . . . . . . 4621 1 394 . 1 1 46 46 TYR H H 1 8.84 . . . . . . . . . . . 4621 1 395 . 1 1 46 46 TYR HA H 1 4.50 . . . . . . . . . . . 4621 1 396 . 1 1 46 46 TYR CA C 13 57.5 . . . . . . . . . . . 4621 1 397 . 1 1 46 46 TYR C C 13 173.9 . . . . . . . . . . . 4621 1 398 . 1 1 46 46 TYR CB C 13 37.1 . . . . . . . . . . . 4621 1 399 . 1 1 46 46 TYR HB2 H 1 2.71 . . . . . . . . . . . 4621 1 400 . 1 1 46 46 TYR HB3 H 1 2.94 . . . . . . . . . . . 4621 1 401 . 1 1 46 46 TYR HD1 H 1 7.12 . . . . . . . . . . . 4621 1 402 . 1 1 46 46 TYR HE1 H 1 6.66 . . . . . . . . . . . 4621 1 403 . 1 1 47 47 GLN N N 15 133.2 . . . . . . . . . . . 4621 1 404 . 1 1 47 47 GLN H H 1 8.48 . . . . . . . . . . . 4621 1 405 . 1 1 47 47 GLN HA H 1 4.22 . . . . . . . . . . . 4621 1 406 . 1 1 47 47 GLN CA C 13 55.3 . . . . . . . . . . . 4621 1 407 . 1 1 47 47 GLN C C 13 171.6 . . . . . . . . . . . 4621 1 408 . 1 1 47 47 GLN CB C 13 29.4 . . . . . . . . . . . 4621 1 409 . 1 1 47 47 GLN HB2 H 1 1.72 . . . . . . . . . . . 4621 1 410 . 1 1 47 47 GLN HB3 H 1 1.95 . . . . . . . . . . . 4621 1 411 . 1 1 47 47 GLN HG2 H 1 2.21 . . . . . . . . . . . 4621 1 412 . 1 1 47 47 GLN HG3 H 1 1.77 . . . . . . . . . . . 4621 1 413 . 1 1 47 47 GLN HE21 H 1 6.76 . . . . . . . . . . . 4621 1 414 . 1 1 47 47 GLN HE22 H 1 5.93 . . . . . . . . . . . 4621 1 415 . 1 1 47 47 GLN CG C 13 33.4 . . . . . . . . . . . 4621 1 416 . 1 1 47 47 GLN NE2 N 15 113.1 . . . . . . . . . . . 4621 1 417 . 1 1 48 48 ILE N N 15 113.2 . . . . . . . . . . . 4621 1 418 . 1 1 48 48 ILE H H 1 6.66 . . . . . . . . . . . 4621 1 419 . 1 1 48 48 ILE HA H 1 4.83 . . . . . . . . . . . 4621 1 420 . 1 1 48 48 ILE CA C 13 56.5 . . . . . . . . . . . 4621 1 421 . 1 1 48 48 ILE C C 13 171.7 . . . . . . . . . . . 4621 1 422 . 1 1 48 48 ILE CB C 13 40.1 . . . . . . . . . . . 4621 1 423 . 1 1 48 48 ILE HB H 1 2.12 . . . . . . . . . . . 4621 1 424 . 1 1 48 48 ILE HG21 H 1 1.00 . . . . . . . . . . . 4621 1 425 . 1 1 48 48 ILE HG22 H 1 1.00 . . . . . . . . . . . 4621 1 426 . 1 1 48 48 ILE HG23 H 1 1.00 . . . . . . . . . . . 4621 1 427 . 1 1 48 48 ILE HG12 H 1 1.09 . . . . . . . . . . . 4621 1 428 . 1 1 48 48 ILE HG13 H 1 1.62 . . . . . . . . . . . 4621 1 429 . 1 1 48 48 ILE HD11 H 1 1.05 . . . . . . . . . . . 4621 1 430 . 1 1 48 48 ILE HD12 H 1 1.05 . . . . . . . . . . . 4621 1 431 . 1 1 48 48 ILE HD13 H 1 1.05 . . . . . . . . . . . 4621 1 432 . 1 1 48 48 ILE CG2 C 13 17.2 . . . . . . . . . . . 4621 1 433 . 1 1 48 48 ILE CD1 C 13 13.8 . . . . . . . . . . . 4621 1 434 . 1 1 48 48 ILE CG1 C 13 22.9 . . . . . . . . . . . 4621 1 435 . 1 1 49 49 CYS N N 15 120.4 . . . . . . . . . . . 4621 1 436 . 1 1 49 49 CYS H H 1 9.28 . . . . . . . . . . . 4621 1 437 . 1 1 49 49 CYS HA H 1 4.67 . . . . . . . . . . . 4621 1 438 . 1 1 49 49 CYS CA C 13 55.7 . . . . . . . . . . . 4621 1 439 . 1 1 49 49 CYS C C 13 173.3 . . . . . . . . . . . 4621 1 440 . 1 1 49 49 CYS CB C 13 29.6 . . . . . . . . . . . 4621 1 441 . 1 1 49 49 CYS HB2 H 1 3.60 . . . . . . . . . . . 4621 1 442 . 1 1 49 49 CYS HB3 H 1 2.90 . . . . . . . . . . . 4621 1 443 . 1 1 50 50 ARG N N 15 117.9 . . . . . . . . . . . 4621 1 444 . 1 1 50 50 ARG H H 1 8.53 . . . . . . . . . . . 4621 1 445 . 1 1 50 50 ARG HA H 1 3.91 . . . . . . . . . . . 4621 1 446 . 1 1 50 50 ARG CA C 13 56.9 . . . . . . . . . . . 4621 1 447 . 1 1 50 50 ARG C C 13 176.4 . . . . . . . . . . . 4621 1 448 . 1 1 50 50 ARG CB C 13 27.7 . . . . . . . . . . . 4621 1 449 . 1 1 50 50 ARG HB2 H 1 1.57 . . . . . . . . . . . 4621 1 450 . 1 1 50 50 ARG HB3 H 1 1.42 . . . . . . . . . . . 4621 1 451 . 1 1 50 50 ARG HG2 H 1 0.86 . . . . . . . . . . . 4621 1 452 . 1 1 50 50 ARG HG3 H 1 0.75 . . . . . . . . . . . 4621 1 453 . 1 1 50 50 ARG HD2 H 1 2.70 . . . . . . . . . . . 4621 1 454 . 1 1 50 50 ARG CG C 13 25.1 . . . . . . . . . . . 4621 1 455 . 1 1 50 50 ARG CD C 13 40.6 . . . . . . . . . . . 4621 1 456 . 1 1 51 51 PHE N N 15 121.3 . . . . . . . . . . . 4621 1 457 . 1 1 51 51 PHE H H 1 8.15 . . . . . . . . . . . 4621 1 458 . 1 1 51 51 PHE HA H 1 4.37 . . . . . . . . . . . 4621 1 459 . 1 1 51 51 PHE CA C 13 59.3 . . . . . . . . . . . 4621 1 460 . 1 1 51 51 PHE C C 13 177.2 . . . . . . . . . . . 4621 1 461 . 1 1 51 51 PHE CB C 13 36.2 . . . . . . . . . . . 4621 1 462 . 1 1 51 51 PHE HB2 H 1 3.40 . . . . . . . . . . . 4621 1 463 . 1 1 51 51 PHE HD1 H 1 7.46 . . . . . . . . . . . 4621 1 464 . 1 1 51 51 PHE HE1 H 1 7.41 . . . . . . . . . . . 4621 1 465 . 1 1 51 51 PHE HZ H 1 7.35 . . . . . . . . . . . 4621 1 466 . 1 1 52 52 CYS N N 15 126.8 . . . . . . . . . . . 4621 1 467 . 1 1 52 52 CYS H H 1 9.60 . . . . . . . . . . . 4621 1 468 . 1 1 52 52 CYS HA H 1 4.02 . . . . . . . . . . . 4621 1 469 . 1 1 52 52 CYS CA C 13 63.4 . . . . . . . . . . . 4621 1 470 . 1 1 52 52 CYS C C 13 174.8 . . . . . . . . . . . 4621 1 471 . 1 1 52 52 CYS CB C 13 26.5 . . . . . . . . . . . 4621 1 472 . 1 1 52 52 CYS HB2 H 1 3.28 . . . . . . . . . . . 4621 1 473 . 1 1 52 52 CYS HB3 H 1 3.00 . . . . . . . . . . . 4621 1 474 . 1 1 53 53 TRP N N 15 121.6 . . . . . . . . . . . 4621 1 475 . 1 1 53 53 TRP H H 1 8.72 . . . . . . . . . . . 4621 1 476 . 1 1 53 53 TRP HA H 1 4.01 . . . . . . . . . . . 4621 1 477 . 1 1 53 53 TRP CA C 13 59.4 . . . . . . . . . . . 4621 1 478 . 1 1 53 53 TRP C C 13 174.6 . . . . . . . . . . . 4621 1 479 . 1 1 53 53 TRP CB C 13 26.4 . . . . . . . . . . . 4621 1 480 . 1 1 53 53 TRP HB2 H 1 3.62 . . . . . . . . . . . 4621 1 481 . 1 1 53 53 TRP HB3 H 1 3.05 . . . . . . . . . . . 4621 1 482 . 1 1 53 53 TRP HD1 H 1 5.63 . . . . . . . . . . . 4621 1 483 . 1 1 53 53 TRP HE1 H 1 9.77 . . . . . . . . . . . 4621 1 484 . 1 1 53 53 TRP HZ2 H 1 7.43 . . . . . . . . . . . 4621 1 485 . 1 1 53 53 TRP HE3 H 1 7.59 . . . . . . . . . . . 4621 1 486 . 1 1 53 53 TRP HZ3 H 1 6.97 . . . . . . . . . . . 4621 1 487 . 1 1 53 53 TRP HH2 H 1 7.22 . . . . . . . . . . . 4621 1 488 . 1 1 53 53 TRP NE1 N 15 130.8 . . . . . . . . . . . 4621 1 489 . 1 1 54 54 HIS N N 15 117.1 . . . . . . . . . . . 4621 1 490 . 1 1 54 54 HIS H H 1 8.46 . . . . . . . . . . . 4621 1 491 . 1 1 54 54 HIS HA H 1 3.66 . . . . . . . . . . . 4621 1 492 . 1 1 54 54 HIS CA C 13 57.9 . . . . . . . . . . . 4621 1 493 . 1 1 54 54 HIS C C 13 173.5 . . . . . . . . . . . 4621 1 494 . 1 1 54 54 HIS CB C 13 28.0 . . . . . . . . . . . 4621 1 495 . 1 1 54 54 HIS HB2 H 1 3.18 . . . . . . . . . . . 4621 1 496 . 1 1 54 54 HIS HD1 H 1 6.97 . . . . . . . . . . . 4621 1 497 . 1 1 55 55 ARG N N 15 121.8 . . . . . . . . . . . 4621 1 498 . 1 1 55 55 ARG H H 1 8.05 . . . . . . . . . . . 4621 1 499 . 1 1 55 55 ARG HA H 1 3.90 . . . . . . . . . . . 4621 1 500 . 1 1 55 55 ARG CA C 13 57.4 . . . . . . . . . . . 4621 1 501 . 1 1 55 55 ARG C C 13 174.5 . . . . . . . . . . . 4621 1 502 . 1 1 55 55 ARG CB C 13 27.5 . . . . . . . . . . . 4621 1 503 . 1 1 55 55 ARG HB2 H 1 2.03 . . . . . . . . . . . 4621 1 504 . 1 1 55 55 ARG HB3 H 1 1.83 . . . . . . . . . . . 4621 1 505 . 1 1 55 55 ARG HG2 H 1 1.75 . . . . . . . . . . . 4621 1 506 . 1 1 55 55 ARG HG3 H 1 1.50 . . . . . . . . . . . 4621 1 507 . 1 1 55 55 ARG HD2 H 1 3.35 . . . . . . . . . . . 4621 1 508 . 1 1 55 55 ARG HD3 H 1 3.21 . . . . . . . . . . . 4621 1 509 . 1 1 55 55 ARG HE H 1 7.34 . . . . . . . . . . . 4621 1 510 . 1 1 55 55 ARG CG C 13 25.1 . . . . . . . . . . . 4621 1 511 . 1 1 55 55 ARG CD C 13 40.6 . . . . . . . . . . . 4621 1 512 . 1 1 56 56 ILE N N 15 120.7 . . . . . . . . . . . 4621 1 513 . 1 1 56 56 ILE H H 1 8.79 . . . . . . . . . . . 4621 1 514 . 1 1 56 56 ILE HA H 1 3.62 . . . . . . . . . . . 4621 1 515 . 1 1 56 56 ILE CA C 13 62.9 . . . . . . . . . . . 4621 1 516 . 1 1 56 56 ILE C C 13 177.1 . . . . . . . . . . . 4621 1 517 . 1 1 56 56 ILE CB C 13 36.0 . . . . . . . . . . . 4621 1 518 . 1 1 56 56 ILE HB H 1 1.94 . . . . . . . . . . . 4621 1 519 . 1 1 56 56 ILE HD11 H 1 1.02 . . . . . . . . . . . 4621 1 520 . 1 1 56 56 ILE HD12 H 1 1.02 . . . . . . . . . . . 4621 1 521 . 1 1 56 56 ILE HD13 H 1 1.02 . . . . . . . . . . . 4621 1 522 . 1 1 56 56 ILE HG21 H 1 1.08 . . . . . . . . . . . 4621 1 523 . 1 1 56 56 ILE HG22 H 1 1.08 . . . . . . . . . . . 4621 1 524 . 1 1 56 56 ILE HG23 H 1 1.08 . . . . . . . . . . . 4621 1 525 . 1 1 56 56 ILE HG12 H 1 1.19 . . . . . . . . . . . 4621 1 526 . 1 1 56 56 ILE HG13 H 1 1.84 . . . . . . . . . . . 4621 1 527 . 1 1 56 56 ILE CG1 C 13 27.1 . . . . . . . . . . . 4621 1 528 . 1 1 56 56 ILE CG2 C 13 16.2 . . . . . . . . . . . 4621 1 529 . 1 1 56 56 ILE CD1 C 13 12.1 . . . . . . . . . . . 4621 1 530 . 1 1 57 57 ARG N N 15 116.3 . . . . . . . . . . . 4621 1 531 . 1 1 57 57 ARG H H 1 7.80 . . . . . . . . . . . 4621 1 532 . 1 1 57 57 ARG HA H 1 3.76 . . . . . . . . . . . 4621 1 533 . 1 1 57 57 ARG CA C 13 56.8 . . . . . . . . . . . 4621 1 534 . 1 1 57 57 ARG C C 13 175.0 . . . . . . . . . . . 4621 1 535 . 1 1 57 57 ARG CB C 13 28.0 . . . . . . . . . . . 4621 1 536 . 1 1 57 57 ARG HB2 H 1 1.53 . . . . . . . . . . . 4621 1 537 . 1 1 57 57 ARG HB3 H 1 1.30 . . . . . . . . . . . 4621 1 538 . 1 1 57 57 ARG HG2 H 1 1.30 . . . . . . . . . . . 4621 1 539 . 1 1 57 57 ARG HG3 H 1 1.20 . . . . . . . . . . . 4621 1 540 . 1 1 57 57 ARG HD2 H 1 2.32 . . . . . . . . . . . 4621 1 541 . 1 1 57 57 ARG CG C 13 26.6 . . . . . . . . . . . 4621 1 542 . 1 1 57 57 ARG CD C 13 40.3 . . . . . . . . . . . 4621 1 543 . 1 1 58 58 THR N N 15 111.8 . . . . . . . . . . . 4621 1 544 . 1 1 58 58 THR H H 1 7.87 . . . . . . . . . . . 4621 1 545 . 1 1 58 58 THR HA H 1 4.01 . . . . . . . . . . . 4621 1 546 . 1 1 58 58 THR CA C 13 62.2 . . . . . . . . . . . 4621 1 547 . 1 1 58 58 THR C C 13 172.9 . . . . . . . . . . . 4621 1 548 . 1 1 58 58 THR CB C 13 66.9 . . . . . . . . . . . 4621 1 549 . 1 1 58 58 THR HB H 1 3.84 . . . . . . . . . . . 4621 1 550 . 1 1 58 58 THR HG21 H 1 0.99 . . . . . . . . . . . 4621 1 551 . 1 1 58 58 THR HG22 H 1 0.99 . . . . . . . . . . . 4621 1 552 . 1 1 58 58 THR HG23 H 1 0.99 . . . . . . . . . . . 4621 1 553 . 1 1 58 58 THR CG2 C 13 18.9 . . . . . . . . . . . 4621 1 554 . 1 1 59 59 ASP N N 15 119.8 . . . . . . . . . . . 4621 1 555 . 1 1 59 59 ASP H H 1 8.46 . . . . . . . . . . . 4621 1 556 . 1 1 59 59 ASP HA H 1 4.87 . . . . . . . . . . . 4621 1 557 . 1 1 59 59 ASP CA C 13 52.5 . . . . . . . . . . . 4621 1 558 . 1 1 59 59 ASP C C 13 174.5 . . . . . . . . . . . 4621 1 559 . 1 1 59 59 ASP CB C 13 40.9 . . . . . . . . . . . 4621 1 560 . 1 1 59 59 ASP HB2 H 1 2.64 . . . . . . . . . . . 4621 1 561 . 1 1 59 59 ASP HB3 H 1 2.76 . . . . . . . . . . . 4621 1 562 . 1 1 60 60 GLU N N 15 118.6 . . . . . . . . . . . 4621 1 563 . 1 1 60 60 GLU H H 1 7.05 . . . . . . . . . . . 4621 1 564 . 1 1 60 60 GLU HA H 1 4.77 . . . . . . . . . . . 4621 1 565 . 1 1 60 60 GLU CA C 13 52.1 . . . . . . . . . . . 4621 1 566 . 1 1 60 60 GLU C C 13 173.7 . . . . . . . . . . . 4621 1 567 . 1 1 60 60 GLU CB C 13 26.8 . . . . . . . . . . . 4621 1 568 . 1 1 60 60 GLU HB2 H 1 2.37 . . . . . . . . . . . 4621 1 569 . 1 1 60 60 GLU HB3 H 1 2.23 . . . . . . . . . . . 4621 1 570 . 1 1 60 60 GLU HG2 H 1 2.17 . . . . . . . . . . . 4621 1 571 . 1 1 60 60 GLU CG C 13 33.0 . . . . . . . . . . . 4621 1 572 . 1 1 61 61 ASN N N 15 115.9 . . . . . . . . . . . 4621 1 573 . 1 1 61 61 ASN H H 1 7.77 . . . . . . . . . . . 4621 1 574 . 1 1 61 61 ASN HA H 1 4.62 . . . . . . . . . . . 4621 1 575 . 1 1 61 61 ASN CA C 13 50.8 . . . . . . . . . . . 4621 1 576 . 1 1 61 61 ASN C C 13 174.2 . . . . . . . . . . . 4621 1 577 . 1 1 61 61 ASN CB C 13 36.0 . . . . . . . . . . . 4621 1 578 . 1 1 61 61 ASN HB2 H 1 2.91 . . . . . . . . . . . 4621 1 579 . 1 1 61 61 ASN HB3 H 1 3.08 . . . . . . . . . . . 4621 1 580 . 1 1 61 61 ASN HD21 H 1 7.69 . . . . . . . . . . . 4621 1 581 . 1 1 61 61 ASN HD22 H 1 6.86 . . . . . . . . . . . 4621 1 582 . 1 1 62 62 GLY N N 15 105.0 . . . . . . . . . . . 4621 1 583 . 1 1 62 62 GLY H H 1 7.90 . . . . . . . . . . . 4621 1 584 . 1 1 62 62 GLY HA2 H 1 3.42 . . . . . . . . . . . 4621 1 585 . 1 1 62 62 GLY HA3 H 1 4.11 . . . . . . . . . . . 4621 1 586 . 1 1 62 62 GLY CA C 13 45.1 . . . . . . . . . . . 4621 1 587 . 1 1 62 62 GLY C C 13 170.2 . . . . . . . . . . . 4621 1 588 . 1 1 63 63 LEU N N 15 117.7 . . . . . . . . . . . 4621 1 589 . 1 1 63 63 LEU H H 1 7.12 . . . . . . . . . . . 4621 1 590 . 1 1 63 63 LEU HA H 1 4.23 . . . . . . . . . . . 4621 1 591 . 1 1 63 63 LEU CA C 13 50.6 . . . . . . . . . . . 4621 1 592 . 1 1 63 63 LEU C C 13 173.0 . . . . . . . . . . . 4621 1 593 . 1 1 63 63 LEU CB C 13 40.7 . . . . . . . . . . . 4621 1 594 . 1 1 63 63 LEU HB2 H 1 1.38 . . . . . . . . . . . 4621 1 595 . 1 1 63 63 LEU HB3 H 1 0.69 . . . . . . . . . . . 4621 1 596 . 1 1 63 63 LEU HG H 1 1.28 . . . . . . . . . . . 4621 1 597 . 1 1 63 63 LEU HD11 H 1 0.74 . . . . . . . . . . . 4621 1 598 . 1 1 63 63 LEU HD12 H 1 0.74 . . . . . . . . . . . 4621 1 599 . 1 1 63 63 LEU HD13 H 1 0.74 . . . . . . . . . . . 4621 1 600 . 1 1 63 63 LEU HD21 H 1 0.53 . . . . . . . . . . . 4621 1 601 . 1 1 63 63 LEU HD22 H 1 0.53 . . . . . . . . . . . 4621 1 602 . 1 1 63 63 LEU HD23 H 1 0.53 . . . . . . . . . . . 4621 1 603 . 1 1 63 63 LEU CG C 13 23.5 . . . . . . . . . . . 4621 1 604 . 1 1 63 63 LEU CD1 C 13 19.4 . . . . . . . . . . . 4621 1 605 . 1 1 63 63 LEU CD2 C 13 22.8 . . . . . . . . . . . 4621 1 606 . 1 1 64 64 CYS N N 15 124.5 . . . . . . . . . . . 4621 1 607 . 1 1 64 64 CYS H H 1 7.76 . . . . . . . . . . . 4621 1 608 . 1 1 64 64 CYS HA H 1 4.43 . . . . . . . . . . . 4621 1 609 . 1 1 64 64 CYS CA C 13 54.1 . . . . . . . . . . . 4621 1 610 . 1 1 64 64 CYS CB C 13 29.1 . . . . . . . . . . . 4621 1 611 . 1 1 64 64 CYS HB2 H 1 2.96 . . . . . . . . . . . 4621 1 612 . 1 1 64 64 CYS HB3 H 1 2.58 . . . . . . . . . . . 4621 1 613 . 1 1 65 65 PRO HA H 1 4.21 . . . . . . . . . . . 4621 1 614 . 1 1 65 65 PRO CA C 13 61.9 . . . . . . . . . . . 4621 1 615 . 1 1 65 65 PRO C C 13 174.3 . . . . . . . . . . . 4621 1 616 . 1 1 65 65 PRO CB C 13 30.0 . . . . . . . . . . . 4621 1 617 . 1 1 65 65 PRO HB2 H 1 2.49 . . . . . . . . . . . 4621 1 618 . 1 1 65 65 PRO HB3 H 1 1.89 . . . . . . . . . . . 4621 1 619 . 1 1 65 65 PRO HG2 H 1 2.19 . . . . . . . . . . . 4621 1 620 . 1 1 65 65 PRO HG3 H 1 1.90 . . . . . . . . . . . 4621 1 621 . 1 1 65 65 PRO HD2 H 1 4.47 . . . . . . . . . . . 4621 1 622 . 1 1 65 65 PRO HD3 H 1 4.17 . . . . . . . . . . . 4621 1 623 . 1 1 65 65 PRO CG C 13 25.7 . . . . . . . . . . . 4621 1 624 . 1 1 65 65 PRO CD C 13 49.3 . . . . . . . . . . . 4621 1 625 . 1 1 66 66 ALA N N 15 120.8 . . . . . . . . . . . 4621 1 626 . 1 1 66 66 ALA H H 1 8.26 . . . . . . . . . . . 4621 1 627 . 1 1 66 66 ALA HA H 1 4.02 . . . . . . . . . . . 4621 1 628 . 1 1 66 66 ALA CA C 13 51.4 . . . . . . . . . . . 4621 1 629 . 1 1 66 66 ALA C C 13 175.7 . . . . . . . . . . . 4621 1 630 . 1 1 66 66 ALA CB C 13 17.7 . . . . . . . . . . . 4621 1 631 . 1 1 66 66 ALA HB1 H 1 0.60 . . . . . . . . . . . 4621 1 632 . 1 1 66 66 ALA HB2 H 1 0.60 . . . . . . . . . . . 4621 1 633 . 1 1 66 66 ALA HB3 H 1 0.60 . . . . . . . . . . . 4621 1 634 . 1 1 67 67 CYS N N 15 116.3 . . . . . . . . . . . 4621 1 635 . 1 1 67 67 CYS H H 1 7.87 . . . . . . . . . . . 4621 1 636 . 1 1 67 67 CYS HA H 1 4.71 . . . . . . . . . . . 4621 1 637 . 1 1 67 67 CYS CA C 13 56.2 . . . . . . . . . . . 4621 1 638 . 1 1 67 67 CYS C C 13 174.0 . . . . . . . . . . . 4621 1 639 . 1 1 67 67 CYS CB C 13 29.2 . . . . . . . . . . . 4621 1 640 . 1 1 67 67 CYS HB2 H 1 3.07 . . . . . . . . . . . 4621 1 641 . 1 1 67 67 CYS HB3 H 1 2.57 . . . . . . . . . . . 4621 1 642 . 1 1 68 68 ARG N N 15 116.6 . . . . . . . . . . . 4621 1 643 . 1 1 68 68 ARG H H 1 7.77 . . . . . . . . . . . 4621 1 644 . 1 1 68 68 ARG HA H 1 3.89 . . . . . . . . . . . 4621 1 645 . 1 1 68 68 ARG CA C 13 55.2 . . . . . . . . . . . 4621 1 646 . 1 1 68 68 ARG C C 13 171.5 . . . . . . . . . . . 4621 1 647 . 1 1 68 68 ARG CB C 13 24.1 . . . . . . . . . . . 4621 1 648 . 1 1 68 68 ARG HB2 H 1 1.98 . . . . . . . . . . . 4621 1 649 . 1 1 68 68 ARG HB3 H 1 2.05 . . . . . . . . . . . 4621 1 650 . 1 1 68 68 ARG HG2 H 1 1.35 . . . . . . . . . . . 4621 1 651 . 1 1 68 68 ARG HG3 H 1 1.46 . . . . . . . . . . . 4621 1 652 . 1 1 68 68 ARG HD2 H 1 3.05 . . . . . . . . . . . 4621 1 653 . 1 1 68 68 ARG CG C 13 25.1 . . . . . . . . . . . 4621 1 654 . 1 1 68 68 ARG CD C 13 40.4 . . . . . . . . . . . 4621 1 655 . 1 1 69 69 LYS N N 15 122.5 . . . . . . . . . . . 4621 1 656 . 1 1 69 69 LYS H H 1 8.4 . . . . . . . . . . . 4621 1 657 . 1 1 69 69 LYS HA H 1 4.58 . . . . . . . . . . . 4621 1 658 . 1 1 69 69 LYS CA C 13 52.6 . . . . . . . . . . . 4621 1 659 . 1 1 69 69 LYS CB C 13 31.3 . . . . . . . . . . . 4621 1 660 . 1 1 69 69 LYS HB2 H 1 1.90 . . . . . . . . . . . 4621 1 661 . 1 1 69 69 LYS HB3 H 1 1.70 . . . . . . . . . . . 4621 1 662 . 1 1 69 69 LYS HG2 H 1 1.49 . . . . . . . . . . . 4621 1 663 . 1 1 69 69 LYS HD2 H 1 1.76 . . . . . . . . . . . 4621 1 664 . 1 1 69 69 LYS HE2 H 1 3.03 . . . . . . . . . . . 4621 1 665 . 1 1 69 69 LYS CG C 13 22.3 . . . . . . . . . . . 4621 1 666 . 1 1 69 69 LYS CD C 13 26.7 . . . . . . . . . . . 4621 1 667 . 1 1 69 69 LYS CE C 13 39.7 . . . . . . . . . . . 4621 1 668 . 1 1 70 70 PRO HA H 1 4.53 . . . . . . . . . . . 4621 1 669 . 1 1 70 70 PRO CA C 13 60.3 . . . . . . . . . . . 4621 1 670 . 1 1 70 70 PRO C C 13 176.0 . . . . . . . . . . . 4621 1 671 . 1 1 70 70 PRO CB C 13 29.4 . . . . . . . . . . . 4621 1 672 . 1 1 70 70 PRO HB2 H 1 2.20 . . . . . . . . . . . 4621 1 673 . 1 1 70 70 PRO HB3 H 1 1.81 . . . . . . . . . . . 4621 1 674 . 1 1 70 70 PRO HG2 H 1 2.08 . . . . . . . . . . . 4621 1 675 . 1 1 70 70 PRO HG3 H 1 1.88 . . . . . . . . . . . 4621 1 676 . 1 1 70 70 PRO HD2 H 1 3.85 . . . . . . . . . . . 4621 1 677 . 1 1 70 70 PRO HD3 H 1 3.59 . . . . . . . . . . . 4621 1 678 . 1 1 70 70 PRO CG C 13 25.5 . . . . . . . . . . . 4621 1 679 . 1 1 70 70 PRO CD C 13 48.3 . . . . . . . . . . . 4621 1 680 . 1 1 71 71 TYR N N 15 125.0 . . . . . . . . . . . 4621 1 681 . 1 1 71 71 TYR H H 1 8.52 . . . . . . . . . . . 4621 1 682 . 1 1 71 71 TYR HA H 1 5.12 . . . . . . . . . . . 4621 1 683 . 1 1 71 71 TYR CA C 13 54.2 . . . . . . . . . . . 4621 1 684 . 1 1 71 71 TYR CB C 13 35.7 . . . . . . . . . . . 4621 1 685 . 1 1 71 71 TYR HB2 H 1 2.56 . . . . . . . . . . . 4621 1 686 . 1 1 71 71 TYR HB3 H 1 3.49 . . . . . . . . . . . 4621 1 687 . 1 1 71 71 TYR HD1 H 1 7.03 . . . . . . . . . . . 4621 1 688 . 1 1 71 71 TYR HE1 H 1 6.93 . . . . . . . . . . . 4621 1 689 . 1 1 72 72 PRO HA H 1 4.65 . . . . . . . . . . . 4621 1 690 . 1 1 72 72 PRO CA C 13 60.0 . . . . . . . . . . . 4621 1 691 . 1 1 72 72 PRO C C 13 174.3 . . . . . . . . . . . 4621 1 692 . 1 1 72 72 PRO CB C 13 30.4 . . . . . . . . . . . 4621 1 693 . 1 1 72 72 PRO HB2 H 1 2.45 . . . . . . . . . . . 4621 1 694 . 1 1 72 72 PRO HB3 H 1 2.13 . . . . . . . . . . . 4621 1 695 . 1 1 72 72 PRO HG2 H 1 2.22 . . . . . . . . . . . 4621 1 696 . 1 1 72 72 PRO HD2 H 1 4.24 . . . . . . . . . . . 4621 1 697 . 1 1 72 72 PRO HD3 H 1 4.35 . . . . . . . . . . . 4621 1 698 . 1 1 72 72 PRO CG C 13 25.2 . . . . . . . . . . . 4621 1 699 . 1 1 72 72 PRO CD C 13 48.8 . . . . . . . . . . . 4621 1 700 . 1 1 73 73 GLU N N 15 120.2 . . . . . . . . . . . 4621 1 701 . 1 1 73 73 GLU H H 1 8.58 . . . . . . . . . . . 4621 1 702 . 1 1 73 73 GLU HA H 1 4.15 . . . . . . . . . . . 4621 1 703 . 1 1 73 73 GLU CA C 13 55.1 . . . . . . . . . . . 4621 1 704 . 1 1 73 73 GLU C C 13 173.7 . . . . . . . . . . . 4621 1 705 . 1 1 73 73 GLU CB C 13 28.1 . . . . . . . . . . . 4621 1 706 . 1 1 73 73 GLU HB2 H 1 1.99 . . . . . . . . . . . 4621 1 707 . 1 1 73 73 GLU HB3 H 1 2.11 . . . . . . . . . . . 4621 1 708 . 1 1 73 73 GLU CG C 13 34.2 . . . . . . . . . . . 4621 1 709 . 1 1 73 73 GLU HG2 H 1 2.30 . . . . . . . . . . . 4621 1 710 . 1 1 73 73 GLU HG3 H 1 2.43 . . . . . . . . . . . 4621 1 711 . 1 1 74 74 ASP N N 15 119.0 . . . . . . . . . . . 4621 1 712 . 1 1 74 74 ASP H H 1 8.22 . . . . . . . . . . . 4621 1 713 . 1 1 74 74 ASP HA H 1 5.08 . . . . . . . . . . . 4621 1 714 . 1 1 74 74 ASP CA C 13 49.3 . . . . . . . . . . . 4621 1 715 . 1 1 74 74 ASP CB C 13 39.5 . . . . . . . . . . . 4621 1 716 . 1 1 74 74 ASP HB2 H 1 2.58 . . . . . . . . . . . 4621 1 717 . 1 1 74 74 ASP HB3 H 1 2.82 . . . . . . . . . . . 4621 1 718 . 1 1 75 75 PRO HA H 1 4.39 . . . . . . . . . . . 4621 1 719 . 1 1 75 75 PRO CA C 13 60.8 . . . . . . . . . . . 4621 1 720 . 1 1 75 75 PRO C C 13 174.3 . . . . . . . . . . . 4621 1 721 . 1 1 75 75 PRO CB C 13 30.0 . . . . . . . . . . . 4621 1 722 . 1 1 75 75 PRO HB2 H 1 2.29 . . . . . . . . . . . 4621 1 723 . 1 1 75 75 PRO HB3 H 1 2.17 . . . . . . . . . . . 4621 1 724 . 1 1 75 75 PRO HG2 H 1 1.93 . . . . . . . . . . . 4621 1 725 . 1 1 75 75 PRO HD2 H 1 3.91 . . . . . . . . . . . 4621 1 726 . 1 1 75 75 PRO HD3 H 1 3.70 . . . . . . . . . . . 4621 1 727 . 1 1 75 75 PRO CG C 13 24.6 . . . . . . . . . . . 4621 1 728 . 1 1 75 75 PRO CD C 13 48.7 . . . . . . . . . . . 4621 1 729 . 1 1 76 76 ALA N N 15 122.6 . . . . . . . . . . . 4621 1 730 . 1 1 76 76 ALA H H 1 8.22 . . . . . . . . . . . 4621 1 731 . 1 1 76 76 ALA HA H 1 4.28 . . . . . . . . . . . 4621 1 732 . 1 1 76 76 ALA CA C 13 50.5 . . . . . . . . . . . 4621 1 733 . 1 1 76 76 ALA C C 13 175.6 . . . . . . . . . . . 4621 1 734 . 1 1 76 76 ALA CB C 13 17.0 . . . . . . . . . . . 4621 1 735 . 1 1 76 76 ALA HB1 H 1 1.36 . . . . . . . . . . . 4621 1 736 . 1 1 76 76 ALA HB2 H 1 1.36 . . . . . . . . . . . 4621 1 737 . 1 1 76 76 ALA HB3 H 1 1.36 . . . . . . . . . . . 4621 1 738 . 1 1 77 77 VAL N N 15 117.4 . . . . . . . . . . . 4621 1 739 . 1 1 77 77 VAL H H 1 7.78 . . . . . . . . . . . 4621 1 740 . 1 1 77 77 VAL HA H 1 4.04 . . . . . . . . . . . 4621 1 741 . 1 1 77 77 VAL CA C 13 60.0 . . . . . . . . . . . 4621 1 742 . 1 1 77 77 VAL C C 13 173.3 . . . . . . . . . . . 4621 1 743 . 1 1 77 77 VAL CB C 13 30.7 . . . . . . . . . . . 4621 1 744 . 1 1 77 77 VAL HB H 1 2.01 . . . . . . . . . . . 4621 1 745 . 1 1 77 77 VAL HG11 H 1 0.89 . . . . . . . . . . . 4621 1 746 . 1 1 77 77 VAL HG12 H 1 0.89 . . . . . . . . . . . 4621 1 747 . 1 1 77 77 VAL HG13 H 1 0.89 . . . . . . . . . . . 4621 1 748 . 1 1 77 77 VAL HG21 H 1 0.82 . . . . . . . . . . . 4621 1 749 . 1 1 77 77 VAL HG22 H 1 0.82 . . . . . . . . . . . 4621 1 750 . 1 1 77 77 VAL HG23 H 1 0.82 . . . . . . . . . . . 4621 1 751 . 1 1 77 77 VAL CG1 C 13 18.3 . . . . . . . . . . . 4621 1 752 . 1 1 77 77 VAL CG2 C 13 18.3 . . . . . . . . . . . 4621 1 753 . 1 1 78 78 TYR N N 15 123.7 . . . . . . . . . . . 4621 1 754 . 1 1 78 78 TYR H H 1 8.10 . . . . . . . . . . . 4621 1 755 . 1 1 78 78 TYR HA H 1 4.60 . . . . . . . . . . . 4621 1 756 . 1 1 78 78 TYR CA C 13 55.1 . . . . . . . . . . . 4621 1 757 . 1 1 78 78 TYR C C 13 172.4 . . . . . . . . . . . 4621 1 758 . 1 1 78 78 TYR CB C 13 36.8 . . . . . . . . . . . 4621 1 759 . 1 1 78 78 TYR HB2 H 1 2.92 . . . . . . . . . . . 4621 1 760 . 1 1 78 78 TYR HB3 H 1 2.92 . . . . . . . . . . . 4621 1 761 . 1 1 78 78 TYR HD1 H 1 7.02 . . . . . . . . . . . 4621 1 762 . 1 1 78 78 TYR HE1 H 1 6.74 . . . . . . . . . . . 4621 1 763 . 1 1 79 79 LYS N N 15 125.6 . . . . . . . . . . . 4621 1 764 . 1 1 79 79 LYS H H 1 7.92 . . . . . . . . . . . 4621 1 765 . 1 1 79 79 LYS HA H 1 4.48 . . . . . . . . . . . 4621 1 766 . 1 1 79 79 LYS CA C 13 51.2 . . . . . . . . . . . 4621 1 767 . 1 1 79 79 LYS CB C 13 30.9 . . . . . . . . . . . 4621 1 768 . 1 1 79 79 LYS HB2 H 1 1.68 . . . . . . . . . . . 4621 1 769 . 1 1 79 79 LYS HB3 H 1 1.62 . . . . . . . . . . . 4621 1 770 . 1 1 79 79 LYS HG2 H 1 1.32 . . . . . . . . . . . 4621 1 771 . 1 1 79 79 LYS HD2 H 1 1.63 . . . . . . . . . . . 4621 1 772 . 1 1 79 79 LYS HE2 H 1 2.93 . . . . . . . . . . . 4621 1 773 . 1 1 79 79 LYS CG C 13 21.7 . . . . . . . . . . . 4621 1 774 . 1 1 79 79 LYS CD C 13 26.7 . . . . . . . . . . . 4621 1 775 . 1 1 79 79 LYS CE C 13 39.8 . . . . . . . . . . . 4621 1 776 . 1 1 80 80 PRO HA H 1 4.31 . . . . . . . . . . . 4621 1 777 . 1 1 80 80 PRO CA C 13 60.5 . . . . . . . . . . . 4621 1 778 . 1 1 80 80 PRO C C 13 174.6 . . . . . . . . . . . 4621 1 779 . 1 1 80 80 PRO CB C 13 29.7 . . . . . . . . . . . 4621 1 780 . 1 1 80 80 PRO HB2 H 1 2.24 . . . . . . . . . . . 4621 1 781 . 1 1 80 80 PRO HB3 H 1 1.88 . . . . . . . . . . . 4621 1 782 . 1 1 80 80 PRO HG2 H 1 1.93 . . . . . . . . . . . 4621 1 783 . 1 1 80 80 PRO HD2 H 1 3.46 . . . . . . . . . . . 4621 1 784 . 1 1 80 80 PRO HD3 H 1 3.51 . . . . . . . . . . . 4621 1 785 . 1 1 80 80 PRO CG C 13 24.5 . . . . . . . . . . . 4621 1 786 . 1 1 80 80 PRO CD C 13 48.2 . . . . . . . . . . . 4621 1 787 . 1 1 81 81 LEU N N 15 122.1 . . . . . . . . . . . 4621 1 788 . 1 1 81 81 LEU H H 1 8.28 . . . . . . . . . . . 4621 1 789 . 1 1 81 81 LEU HA H 1 4.31 . . . . . . . . . . . 4621 1 790 . 1 1 81 81 LEU CA C 13 53.0 . . . . . . . . . . . 4621 1 791 . 1 1 81 81 LEU C C 13 175.2 . . . . . . . . . . . 4621 1 792 . 1 1 81 81 LEU CB C 13 40.2 . . . . . . . . . . . 4621 1 793 . 1 1 81 81 LEU HB2 H 1 1.60 . . . . . . . . . . . 4621 1 794 . 1 1 81 81 LEU HD11 H 1 0.90 . . . . . . . . . . . 4621 1 795 . 1 1 81 81 LEU HD12 H 1 0.90 . . . . . . . . . . . 4621 1 796 . 1 1 81 81 LEU HD13 H 1 0.90 . . . . . . . . . . . 4621 1 797 . 1 1 81 81 LEU HD21 H 1 0.85 . . . . . . . . . . . 4621 1 798 . 1 1 81 81 LEU HD22 H 1 0.85 . . . . . . . . . . . 4621 1 799 . 1 1 81 81 LEU HD23 H 1 0.85 . . . . . . . . . . . 4621 1 800 . 1 1 81 81 LEU CG C 13 24.6 . . . . . . . . . . . 4621 1 801 . 1 1 81 81 LEU CD1 C 13 22.4 . . . . . . . . . . . 4621 1 802 . 1 1 81 81 LEU CD2 C 13 21.1 . . . . . . . . . . . 4621 1 803 . 1 1 82 82 SER N N 15 116.6 . . . . . . . . . . . 4621 1 804 . 1 1 82 82 SER H H 1 8.44 . . . . . . . . . . . 4621 1 805 . 1 1 82 82 SER HA H 1 4.45 . . . . . . . . . . . 4621 1 806 . 1 1 82 82 SER CA C 13 55.6 . . . . . . . . . . . 4621 1 807 . 1 1 82 82 SER C C 13 172.4 . . . . . . . . . . . 4621 1 808 . 1 1 82 82 SER CB C 13 62.0 . . . . . . . . . . . 4621 1 809 . 1 1 82 82 SER HB2 H 1 3.95 . . . . . . . . . . . 4621 1 810 . 1 1 83 83 GLN N N 15 121.4 . . . . . . . . . . . 4621 1 811 . 1 1 83 83 GLN H H 1 8.59 . . . . . . . . . . . 4621 1 812 . 1 1 83 83 GLN HA H 1 4.20 . . . . . . . . . . . 4621 1 813 . 1 1 83 83 GLN CA C 13 54.9 . . . . . . . . . . . 4621 1 814 . 1 1 83 83 GLN C C 13 174.6 . . . . . . . . . . . 4621 1 815 . 1 1 83 83 GLN CB C 13 26.7 . . . . . . . . . . . 4621 1 816 . 1 1 83 83 GLN HB2 H 1 2.00 . . . . . . . . . . . 4621 1 817 . 1 1 83 83 GLN CG C 13 31.5 . . . . . . . . . . . 4621 1 818 . 1 1 84 84 GLN N N 15 120.0 . . . . . . . . . . . 4621 1 819 . 1 1 84 84 GLN H H 1 8.45 . . . . . . . . . . . 4621 1 820 . 1 1 84 84 GLN HA H 1 4.14 . . . . . . . . . . . 4621 1 821 . 1 1 84 84 GLN CA C 13 55.7 . . . . . . . . . . . 4621 1 822 . 1 1 84 84 GLN C C 13 175.2 . . . . . . . . . . . 4621 1 823 . 1 1 84 84 GLN CB C 13 27.6 . . . . . . . . . . . 4621 1 824 . 1 1 84 84 GLN HB2 H 1 1.97 . . . . . . . . . . . 4621 1 825 . 1 1 84 84 GLN HG2 H 1 2.25 . . . . . . . . . . . 4621 1 826 . 1 1 84 84 GLN CG C 13 34.2 . . . . . . . . . . . 4621 1 827 . 1 1 85 85 GLU N N 15 120.3 . . . . . . . . . . . 4621 1 828 . 1 1 85 85 GLU H H 1 8.11 . . . . . . . . . . . 4621 1 829 . 1 1 85 85 GLU HA H 1 4.17 . . . . . . . . . . . 4621 1 830 . 1 1 85 85 GLU CA C 13 55.1 . . . . . . . . . . . 4621 1 831 . 1 1 85 85 GLU C C 13 175.0 . . . . . . . . . . . 4621 1 832 . 1 1 85 85 GLU CB C 13 28.3 . . . . . . . . . . . 4621 1 833 . 1 1 85 85 GLU HB2 H 1 2.02 . . . . . . . . . . . 4621 1 834 . 1 1 85 85 GLU HG2 H 1 2.25 . . . . . . . . . . . 4621 1 835 . 1 1 85 85 GLU CG C 13 34.2 . . . . . . . . . . . 4621 1 836 . 1 1 86 86 LEU N N 15 121.4 . . . . . . . . . . . 4621 1 837 . 1 1 86 86 LEU H H 1 8.07 . . . . . . . . . . . 4621 1 838 . 1 1 86 86 LEU HA H 1 4.23 . . . . . . . . . . . 4621 1 839 . 1 1 86 86 LEU CA C 13 53.5 . . . . . . . . . . . 4621 1 840 . 1 1 86 86 LEU C C 13 175.3 . . . . . . . . . . . 4621 1 841 . 1 1 86 86 LEU CB C 13 39.9 . . . . . . . . . . . 4621 1 842 . 1 1 86 86 LEU HB2 H 1 1.69 . . . . . . . . . . . 4621 1 843 . 1 1 86 86 LEU HB3 H 1 1.56 . . . . . . . . . . . 4621 1 844 . 1 1 86 86 LEU HG H 1 1.60 . . . . . . . . . . . 4621 1 845 . 1 1 86 86 LEU HD11 H 1 0.88 . . . . . . . . . . . 4621 1 846 . 1 1 86 86 LEU HD12 H 1 0.88 . . . . . . . . . . . 4621 1 847 . 1 1 86 86 LEU HD13 H 1 0.88 . . . . . . . . . . . 4621 1 848 . 1 1 86 86 LEU HD21 H 1 0.85 . . . . . . . . . . . 4621 1 849 . 1 1 86 86 LEU HD22 H 1 0.85 . . . . . . . . . . . 4621 1 850 . 1 1 86 86 LEU HD23 H 1 0.85 . . . . . . . . . . . 4621 1 851 . 1 1 86 86 LEU CG C 13 24.4 . . . . . . . . . . . 4621 1 852 . 1 1 86 86 LEU CD1 C 13 22.5 . . . . . . . . . . . 4621 1 853 . 1 1 86 86 LEU CD2 C 13 21.1 . . . . . . . . . . . 4621 1 854 . 1 1 87 87 GLN N N 15 119.0 . . . . . . . . . . . 4621 1 855 . 1 1 87 87 GLN H H 1 8.04 . . . . . . . . . . . 4621 1 856 . 1 1 87 87 GLN HA H 1 4.29 . . . . . . . . . . . 4621 1 857 . 1 1 87 87 GLN CA C 13 53.6 . . . . . . . . . . . 4621 1 858 . 1 1 87 87 GLN C C 13 173.4 . . . . . . . . . . . 4621 1 859 . 1 1 87 87 GLN CB C 13 26.9 . . . . . . . . . . . 4621 1 860 . 1 1 87 87 GLN HB2 H 1 1.99 . . . . . . . . . . . 4621 1 861 . 1 1 87 87 GLN HB3 H 1 20.9 . . . . . . . . . . . 4621 1 862 . 1 1 87 87 GLN HG2 H 1 2.38 . . . . . . . . . . . 4621 1 863 . 1 1 87 87 GLN CG C 13 31.6 . . . . . . . . . . . 4621 1 864 . 1 1 88 88 ARG N N 15 122.0 . . . . . . . . . . . 4621 1 865 . 1 1 88 88 ARG H H 1 8.05 . . . . . . . . . . . 4621 1 866 . 1 1 88 88 ARG HA H 1 4.37 . . . . . . . . . . . 4621 1 867 . 1 1 88 88 ARG CA C 13 53.9 . . . . . . . . . . . 4621 1 868 . 1 1 88 88 ARG C C 13 173.0 . . . . . . . . . . . 4621 1 869 . 1 1 88 88 ARG CB C 13 28.4 . . . . . . . . . . . 4621 1 870 . 1 1 88 88 ARG HB2 H 1 1.64 . . . . . . . . . . . 4621 1 871 . 1 1 88 88 ARG HB3 H 1 1.77 . . . . . . . . . . . 4621 1 872 . 1 1 88 88 ARG HG2 H 1 1.86 . . . . . . . . . . . 4621 1 873 . 1 1 88 88 ARG HD2 H 1 3.20 . . . . . . . . . . . 4621 1 874 . 1 1 88 88 ARG CG C 13 24.3 . . . . . . . . . . . 4621 1 875 . 1 1 88 88 ARG CD C 13 41.2 . . . . . . . . . . . 4621 1 876 . 1 1 89 89 ILE N N 15 125.9 . . . . . . . . . . . 4621 1 877 . 1 1 89 89 ILE H H 1 7.62 . . . . . . . . . . . 4621 1 878 . 1 1 89 89 ILE HA H 1 4.06 . . . . . . . . . . . 4621 1 879 . 1 1 89 89 ILE CA C 13 60.5 . . . . . . . . . . . 4621 1 880 . 1 1 89 89 ILE CB C 13 37.0 . . . . . . . . . . . 4621 1 881 . 1 1 89 89 ILE HB H 1 1.83 . . . . . . . . . . . 4621 1 882 . 1 1 89 89 ILE HG12 H 1 1.42 . . . . . . . . . . . 4621 1 883 . 1 1 89 89 ILE HG13 H 1 1.15 . . . . . . . . . . . 4621 1 884 . 1 1 89 89 ILE HG21 H 1 0.89 . . . . . . . . . . . 4621 1 885 . 1 1 89 89 ILE HG22 H 1 0.89 . . . . . . . . . . . 4621 1 886 . 1 1 89 89 ILE HG23 H 1 0.89 . . . . . . . . . . . 4621 1 887 . 1 1 89 89 ILE HD11 H 1 0.85 . . . . . . . . . . . 4621 1 888 . 1 1 89 89 ILE HD12 H 1 0.85 . . . . . . . . . . . 4621 1 889 . 1 1 89 89 ILE HD13 H 1 0.85 . . . . . . . . . . . 4621 1 890 . 1 1 89 89 ILE CG1 C 13 24.7 . . . . . . . . . . . 4621 1 891 . 1 1 89 89 ILE CG2 C 13 15.6 . . . . . . . . . . . 4621 1 892 . 1 1 89 89 ILE CD1 C 13 11.4 . . . . . . . . . . . 4621 1 stop_ save_