data_4333 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4333 _Entry.Title ; The Three-dimensional Solution Structure and Dynamic Properties of the Human FADD Death Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-04-16 _Entry.Accession_date 1999-04-16 _Entry.Last_release_date 2000-12-15 _Entry.Original_release_date 2000-12-15 _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 Helena Berglund . . . 4333 2 Dionne Olerenshaw . . . 4333 3 A. Sankar . . . 4333 4 M. Federwisch . . . 4333 5 Neil McDonald . Q. . 4333 6 Paul Driscoll . C. . 4333 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4333 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 330 4333 '15N chemical shifts' 116 4333 '1H chemical shifts' 711 4333 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-12-15 1999-04-16 original author . 4333 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4333 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20422733 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The Three-dimensional Solution Structure and Dynamic Properties of the Human FADD Death Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 302 _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 171 _Citation.Page_last 188 _Citation.Year 2000 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Helena Berglund . . . 4333 1 2 Dionne Olerenshaw . . . 4333 1 3 A. Sankar . . . 4333 1 4 M. Federwisch . . . 4333 1 5 Neil McDonald . Q. . 4333 1 6 Paul Driscoll . C. . 4333 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_FADD_dd _Assembly.Sf_category assembly _Assembly.Sf_framecode system_FADD_dd _Assembly.Entry_ID 4333 _Assembly.ID 1 _Assembly.Name 'FADD death domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _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 4333 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 'FADD death domain' 1 $FADD_dd . . . native . . . . . 4333 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 1E3Y . 'A Chain A, Death Domain From Human FaddMORT1' . . . . 4333 1 . PDB 1E41 . 'A Chain A, Death Domain From Human FaddMORT1' . . . . 4333 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'FADD dd' abbreviation 4333 1 'FADD death domain' system 4333 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FADD_dd _Entity.Sf_category entity _Entity.Sf_framecode FADD_dd _Entity.Entry_ID 4333 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'FADD death domain' _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 ; GSHMGEEDLCAAFNVICDNV GKDWRRLARQLKVSDTKIDS IEDRYPRNLTERVRESLRIW KNTEKENATVAHLVGALRSC QMNLVADLVQEVQQARDLQN RSGA ; _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _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 1E3Y . "Death Domain From Human FaddMORT1" . . . . . 100.00 104 100.00 100.00 7.43e-69 . . . . 4333 1 2 no PDB 1E41 . "Death Domain From Human FaddMORT1" . . . . . 100.00 104 100.00 100.00 7.43e-69 . . . . 4333 1 3 no PDB 2GF5 . "Structure Of Intact Fadd (Mort1)" . . . . . 99.04 191 97.09 98.06 8.75e-65 . . . . 4333 1 4 no PDB 3EZQ . "Crystal Structure Of The FasFADD DEATH DOMAIN COMPLEX" . . . . . 96.15 122 100.00 100.00 2.07e-65 . . . . 4333 1 5 no PDB 3OQ9 . "Structure Of The FasFADD DEATH DOMAIN ASSEMBLY" . . . . . 88.46 100 100.00 100.00 3.32e-59 . . . . 4333 1 6 no DBJ BAF83694 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 208 97.12 98.08 2.14e-65 . . . . 4333 1 7 no DBJ BAJ17951 . "Fas (TNFRSF6)-associated via death domain [synthetic construct]" . . . . . 100.00 208 97.12 98.08 2.14e-65 . . . . 4333 1 8 no EMBL CAA59197 . "mediator of receptor induced toxicity [Homo sapiens]" . . . . . 100.00 208 97.12 98.08 1.98e-65 . . . . 4333 1 9 no EMBL CAG33019 . "FADD [Homo sapiens]" . . . . . 100.00 208 97.12 98.08 2.14e-65 . . . . 4333 1 10 no GB AAA86517 . "FADD [Homo sapiens]" . . . . . 100.00 208 97.12 98.08 2.14e-65 . . . . 4333 1 11 no GB AAB58483 . "FADD protein [Homo sapiens]" . . . . . 100.00 149 97.12 98.08 7.54e-66 . . . . 4333 1 12 no GB AAH00334 . "Fas (TNFRSF6)-associated via death domain [Homo sapiens]" . . . . . 100.00 208 97.12 98.08 2.14e-65 . . . . 4333 1 13 no GB AAP35573 . "Fas (TNFRSF6)-associated via death domain [Homo sapiens]" . . . . . 100.00 208 97.12 98.08 2.14e-65 . . . . 4333 1 14 no GB AAP36297 . "Homo sapiens Fas (TNFRSF6)-associated via death domain [synthetic construct]" . . . . . 100.00 209 97.12 98.08 2.33e-65 . . . . 4333 1 15 no REF NP_003815 . "FAS-associated death domain protein [Homo sapiens]" . . . . . 100.00 208 97.12 98.08 2.14e-65 . . . . 4333 1 16 no REF XP_002821454 . "PREDICTED: FAS-associated death domain protein [Pongo abelii]" . . . . . 93.27 208 97.94 100.00 2.31e-60 . . . . 4333 1 17 no REF XP_008952492 . "PREDICTED: FAS-associated death domain protein, partial [Pan paniscus]" . . . . . 96.15 136 99.00 100.00 1.20e-64 . . . . 4333 1 18 no REF XP_011798139 . "PREDICTED: FAS-associated death domain protein [Colobus angolensis palliatus]" . . . . . 93.27 212 96.91 97.94 4.09e-59 . . . . 4333 1 19 no REF XP_508611 . "PREDICTED: FAS-associated death domain protein [Pan troglodytes]" . . . . . 96.15 208 99.00 100.00 2.81e-64 . . . . 4333 1 20 no SP Q13158 . "RecName: Full=FAS-associated death domain protein; AltName: Full=FAS-associating death domain-containing protein; AltName: Full" . . . . . 100.00 208 97.12 98.08 2.14e-65 . . . . 4333 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FADD dd' abbreviation 4333 1 'FADD death domain' common 4333 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 . 4333 1 2 . SER . 4333 1 3 . HIS . 4333 1 4 . MET . 4333 1 5 . GLY . 4333 1 6 . GLU . 4333 1 7 . GLU . 4333 1 8 . ASP . 4333 1 9 . LEU . 4333 1 10 . CYS . 4333 1 11 . ALA . 4333 1 12 . ALA . 4333 1 13 . PHE . 4333 1 14 . ASN . 4333 1 15 . VAL . 4333 1 16 . ILE . 4333 1 17 . CYS . 4333 1 18 . ASP . 4333 1 19 . ASN . 4333 1 20 . VAL . 4333 1 21 . GLY . 4333 1 22 . LYS . 4333 1 23 . ASP . 4333 1 24 . TRP . 4333 1 25 . ARG . 4333 1 26 . ARG . 4333 1 27 . LEU . 4333 1 28 . ALA . 4333 1 29 . ARG . 4333 1 30 . GLN . 4333 1 31 . LEU . 4333 1 32 . LYS . 4333 1 33 . VAL . 4333 1 34 . SER . 4333 1 35 . ASP . 4333 1 36 . THR . 4333 1 37 . LYS . 4333 1 38 . ILE . 4333 1 39 . ASP . 4333 1 40 . SER . 4333 1 41 . ILE . 4333 1 42 . GLU . 4333 1 43 . ASP . 4333 1 44 . ARG . 4333 1 45 . TYR . 4333 1 46 . PRO . 4333 1 47 . ARG . 4333 1 48 . ASN . 4333 1 49 . LEU . 4333 1 50 . THR . 4333 1 51 . GLU . 4333 1 52 . ARG . 4333 1 53 . VAL . 4333 1 54 . ARG . 4333 1 55 . GLU . 4333 1 56 . SER . 4333 1 57 . LEU . 4333 1 58 . ARG . 4333 1 59 . ILE . 4333 1 60 . TRP . 4333 1 61 . LYS . 4333 1 62 . ASN . 4333 1 63 . THR . 4333 1 64 . GLU . 4333 1 65 . LYS . 4333 1 66 . GLU . 4333 1 67 . ASN . 4333 1 68 . ALA . 4333 1 69 . THR . 4333 1 70 . VAL . 4333 1 71 . ALA . 4333 1 72 . HIS . 4333 1 73 . LEU . 4333 1 74 . VAL . 4333 1 75 . GLY . 4333 1 76 . ALA . 4333 1 77 . LEU . 4333 1 78 . ARG . 4333 1 79 . SER . 4333 1 80 . CYS . 4333 1 81 . GLN . 4333 1 82 . MET . 4333 1 83 . ASN . 4333 1 84 . LEU . 4333 1 85 . VAL . 4333 1 86 . ALA . 4333 1 87 . ASP . 4333 1 88 . LEU . 4333 1 89 . VAL . 4333 1 90 . GLN . 4333 1 91 . GLU . 4333 1 92 . VAL . 4333 1 93 . GLN . 4333 1 94 . GLN . 4333 1 95 . ALA . 4333 1 96 . ARG . 4333 1 97 . ASP . 4333 1 98 . LEU . 4333 1 99 . GLN . 4333 1 100 . ASN . 4333 1 101 . ARG . 4333 1 102 . SER . 4333 1 103 . GLY . 4333 1 104 . ALA . 4333 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 4333 1 . SER 2 2 4333 1 . HIS 3 3 4333 1 . MET 4 4 4333 1 . GLY 5 5 4333 1 . GLU 6 6 4333 1 . GLU 7 7 4333 1 . ASP 8 8 4333 1 . LEU 9 9 4333 1 . CYS 10 10 4333 1 . ALA 11 11 4333 1 . ALA 12 12 4333 1 . PHE 13 13 4333 1 . ASN 14 14 4333 1 . VAL 15 15 4333 1 . ILE 16 16 4333 1 . CYS 17 17 4333 1 . ASP 18 18 4333 1 . ASN 19 19 4333 1 . VAL 20 20 4333 1 . GLY 21 21 4333 1 . LYS 22 22 4333 1 . ASP 23 23 4333 1 . TRP 24 24 4333 1 . ARG 25 25 4333 1 . ARG 26 26 4333 1 . LEU 27 27 4333 1 . ALA 28 28 4333 1 . ARG 29 29 4333 1 . GLN 30 30 4333 1 . LEU 31 31 4333 1 . LYS 32 32 4333 1 . VAL 33 33 4333 1 . SER 34 34 4333 1 . ASP 35 35 4333 1 . THR 36 36 4333 1 . LYS 37 37 4333 1 . ILE 38 38 4333 1 . ASP 39 39 4333 1 . SER 40 40 4333 1 . ILE 41 41 4333 1 . GLU 42 42 4333 1 . ASP 43 43 4333 1 . ARG 44 44 4333 1 . TYR 45 45 4333 1 . PRO 46 46 4333 1 . ARG 47 47 4333 1 . ASN 48 48 4333 1 . LEU 49 49 4333 1 . THR 50 50 4333 1 . GLU 51 51 4333 1 . ARG 52 52 4333 1 . VAL 53 53 4333 1 . ARG 54 54 4333 1 . GLU 55 55 4333 1 . SER 56 56 4333 1 . LEU 57 57 4333 1 . ARG 58 58 4333 1 . ILE 59 59 4333 1 . TRP 60 60 4333 1 . LYS 61 61 4333 1 . ASN 62 62 4333 1 . THR 63 63 4333 1 . GLU 64 64 4333 1 . LYS 65 65 4333 1 . GLU 66 66 4333 1 . ASN 67 67 4333 1 . ALA 68 68 4333 1 . THR 69 69 4333 1 . VAL 70 70 4333 1 . ALA 71 71 4333 1 . HIS 72 72 4333 1 . LEU 73 73 4333 1 . VAL 74 74 4333 1 . GLY 75 75 4333 1 . ALA 76 76 4333 1 . LEU 77 77 4333 1 . ARG 78 78 4333 1 . SER 79 79 4333 1 . CYS 80 80 4333 1 . GLN 81 81 4333 1 . MET 82 82 4333 1 . ASN 83 83 4333 1 . LEU 84 84 4333 1 . VAL 85 85 4333 1 . ALA 86 86 4333 1 . ASP 87 87 4333 1 . LEU 88 88 4333 1 . VAL 89 89 4333 1 . GLN 90 90 4333 1 . GLU 91 91 4333 1 . VAL 92 92 4333 1 . GLN 93 93 4333 1 . GLN 94 94 4333 1 . ALA 95 95 4333 1 . ARG 96 96 4333 1 . ASP 97 97 4333 1 . LEU 98 98 4333 1 . GLN 99 99 4333 1 . ASN 100 100 4333 1 . ARG 101 101 4333 1 . SER 102 102 4333 1 . GLY 103 103 4333 1 . ALA 104 104 4333 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 4333 _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 $FADD_dd . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4333 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 4333 _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 $FADD_dd . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4333 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N_sample _Sample.Entry_ID 4333 _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 'FADD death domain' [U-15N] . . 1 $FADD_dd . . 1.5 0.6 2.4 mM . . . . 4333 1 2 'potassium phosphate buffer' . . . . . . . 50 . . mM . . . . 4333 1 3 NaCl . . . . . . . 150 . . mM . . . . 4333 1 4 DTT . . . . . . . 10 . . mM . . . . 4333 1 5 azide . . . . . . . 0.01 . . % . . . . 4333 1 stop_ save_ save_15N13C_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N13C_sample _Sample.Entry_ID 4333 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'FADD death domain' '[U-13C; U-15N]' . . 1 $FADD_dd . . 1.5 . . mM . . . . 4333 2 2 'potassium phosphate buffer' . . . . . . . 50 . . mM . . . . 4333 2 3 NaCl . . . . . . . 150 . . mM . . . . 4333 2 4 DTT . . . . . . . 10 . . mM . . . . 4333 2 5 azide . . . . . . . 0.01 . . % . . . . 4333 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4333 _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 6.2 0.1 na 4333 1 temperature 298 1 K 4333 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 4333 _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 4333 _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' . . 4333 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 4333 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4333 _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 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4333 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4333 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4333 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4333 _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 _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 $15N_sample . 4333 1 . . 2 $15N13C_sample . 4333 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 5 5 GLY H H 1 8.536 0.01 . 1 . . . . . . . . 4333 1 2 . 1 1 5 5 GLY HA2 H 1 3.95 0.01 . 1 . . . . . . . . 4333 1 3 . 1 1 5 5 GLY HA3 H 1 3.95 0.01 . 1 . . . . . . . . 4333 1 4 . 1 1 5 5 GLY CA C 13 46.318 0.1 . 1 . . . . . . . . 4333 1 5 . 1 1 5 5 GLY N N 15 110.523 0.1 . 1 . . . . . . . . 4333 1 6 . 1 1 6 6 GLU H H 1 8.195 0.01 . 1 . . . . . . . . 4333 1 7 . 1 1 6 6 GLU HA H 1 4.174 0.01 . 1 . . . . . . . . 4333 1 8 . 1 1 6 6 GLU HB2 H 1 2.026 0.01 . 2 . . . . . . . . 4333 1 9 . 1 1 6 6 GLU HB3 H 1 1.984 0.01 . 2 . . . . . . . . 4333 1 10 . 1 1 6 6 GLU CA C 13 57.935 0.1 . 1 . . . . . . . . 4333 1 11 . 1 1 6 6 GLU CB C 13 29.812 0.1 . 1 . . . . . . . . 4333 1 12 . 1 1 6 6 GLU CG C 13 36.357 0.1 . 1 . . . . . . . . 4333 1 13 . 1 1 6 6 GLU N N 15 121.467 0.1 . 1 . . . . . . . . 4333 1 14 . 1 1 7 7 GLU H H 1 8.513 0.01 . 1 . . . . . . . . 4333 1 15 . 1 1 7 7 GLU HA H 1 4.048 0.01 . 1 . . . . . . . . 4333 1 16 . 1 1 7 7 GLU HB2 H 1 1.994 0.01 . 1 . . . . . . . . 4333 1 17 . 1 1 7 7 GLU HB3 H 1 1.994 0.01 . 1 . . . . . . . . 4333 1 18 . 1 1 7 7 GLU HG2 H 1 2.289 0.01 . 1 . . . . . . . . 4333 1 19 . 1 1 7 7 GLU HG3 H 1 2.289 0.01 . 1 . . . . . . . . 4333 1 20 . 1 1 7 7 GLU CA C 13 58.922 0.1 . 1 . . . . . . . . 4333 1 21 . 1 1 7 7 GLU CB C 13 29.709 0.1 . 1 . . . . . . . . 4333 1 22 . 1 1 7 7 GLU CG C 13 36.801 0.1 . 1 . . . . . . . . 4333 1 23 . 1 1 7 7 GLU N N 15 121.427 0.1 . 1 . . . . . . . . 4333 1 24 . 1 1 8 8 ASP H H 1 8.465 0.01 . 1 . . . . . . . . 4333 1 25 . 1 1 8 8 ASP HA H 1 4.352 0.01 . 1 . . . . . . . . 4333 1 26 . 1 1 8 8 ASP HB2 H 1 2.868 0.01 . 2 . . . . . . . . 4333 1 27 . 1 1 8 8 ASP HB3 H 1 2.701 0.01 . 2 . . . . . . . . 4333 1 28 . 1 1 8 8 ASP CA C 13 56.582 0.1 . 1 . . . . . . . . 4333 1 29 . 1 1 8 8 ASP CB C 13 40.323 0.1 . 1 . . . . . . . . 4333 1 30 . 1 1 8 8 ASP N N 15 122.407 0.1 . 1 . . . . . . . . 4333 1 31 . 1 1 9 9 LEU H H 1 7.997 0.01 . 1 . . . . . . . . 4333 1 32 . 1 1 9 9 LEU HA H 1 3.753 0.01 . 1 . . . . . . . . 4333 1 33 . 1 1 9 9 LEU HB2 H 1 1.422 0.01 . 2 . . . . . . . . 4333 1 34 . 1 1 9 9 LEU HB3 H 1 1.12 0.01 . 2 . . . . . . . . 4333 1 35 . 1 1 9 9 LEU HG H 1 1.231 0.01 . 1 . . . . . . . . 4333 1 36 . 1 1 9 9 LEU HD11 H 1 0.829 0.01 . 1 . . . . . . . . 4333 1 37 . 1 1 9 9 LEU HD12 H 1 0.829 0.01 . 1 . . . . . . . . 4333 1 38 . 1 1 9 9 LEU HD13 H 1 0.829 0.01 . 1 . . . . . . . . 4333 1 39 . 1 1 9 9 LEU HD21 H 1 0.764 0.01 . 1 . . . . . . . . 4333 1 40 . 1 1 9 9 LEU HD22 H 1 0.764 0.01 . 1 . . . . . . . . 4333 1 41 . 1 1 9 9 LEU HD23 H 1 0.764 0.01 . 1 . . . . . . . . 4333 1 42 . 1 1 9 9 LEU CA C 13 57.31 0.1 . 1 . . . . . . . . 4333 1 43 . 1 1 9 9 LEU CB C 13 41.735 0.1 . 1 . . . . . . . . 4333 1 44 . 1 1 9 9 LEU CG C 13 26.634 0.1 . 1 . . . . . . . . 4333 1 45 . 1 1 9 9 LEU CD1 C 13 25.118 0.1 . 1 . . . . . . . . 4333 1 46 . 1 1 9 9 LEU CD2 C 13 24.462 0.1 . 1 . . . . . . . . 4333 1 47 . 1 1 9 9 LEU N N 15 122.753 0.1 . 1 . . . . . . . . 4333 1 48 . 1 1 10 10 CYS H H 1 7.856 0.01 . 1 . . . . . . . . 4333 1 49 . 1 1 10 10 CYS HA H 1 3.704 0.01 . 1 . . . . . . . . 4333 1 50 . 1 1 10 10 CYS HB2 H 1 2.909 0.01 . 1 . . . . . . . . 4333 1 51 . 1 1 10 10 CYS HB3 H 1 2.909 0.01 . 1 . . . . . . . . 4333 1 52 . 1 1 10 10 CYS CA C 13 63.237 0.1 . 1 . . . . . . . . 4333 1 53 . 1 1 10 10 CYS CB C 13 26.537 0.1 . 1 . . . . . . . . 4333 1 54 . 1 1 10 10 CYS N N 15 117.174 0.1 . 1 . . . . . . . . 4333 1 55 . 1 1 11 11 ALA H H 1 7.82 0.1 . 1 . . . . . . . . 4333 1 56 . 1 1 11 11 ALA HA H 1 4.137 0.01 . 1 . . . . . . . . 4333 1 57 . 1 1 11 11 ALA HB1 H 1 1.408 0.01 . 1 . . . . . . . . 4333 1 58 . 1 1 11 11 ALA HB2 H 1 1.408 0.01 . 1 . . . . . . . . 4333 1 59 . 1 1 11 11 ALA HB3 H 1 1.408 0.01 . 1 . . . . . . . . 4333 1 60 . 1 1 11 11 ALA CA C 13 55.307 0.1 . 1 . . . . . . . . 4333 1 61 . 1 1 11 11 ALA CB C 13 17.794 0.1 . 1 . . . . . . . . 4333 1 62 . 1 1 11 11 ALA N N 15 121.958 0.1 . 1 . . . . . . . . 4333 1 63 . 1 1 12 12 ALA H H 1 7.831 0.01 . 1 . . . . . . . . 4333 1 64 . 1 1 12 12 ALA HA H 1 4.14 0.01 . 1 . . . . . . . . 4333 1 65 . 1 1 12 12 ALA HB1 H 1 1.497 0.01 . 1 . . . . . . . . 4333 1 66 . 1 1 12 12 ALA HB2 H 1 1.497 0.01 . 1 . . . . . . . . 4333 1 67 . 1 1 12 12 ALA HB3 H 1 1.497 0.01 . 1 . . . . . . . . 4333 1 68 . 1 1 12 12 ALA CA C 13 55.278 0.1 . 1 . . . . . . . . 4333 1 69 . 1 1 12 12 ALA CB C 13 19.157 0.1 . 1 . . . . . . . . 4333 1 70 . 1 1 12 12 ALA N N 15 121.714 0.1 . 1 . . . . . . . . 4333 1 71 . 1 1 13 13 PHE H H 1 9.016 0.01 . 1 . . . . . . . . 4333 1 72 . 1 1 13 13 PHE HA H 1 4.315 0.01 . 1 . . . . . . . . 4333 1 73 . 1 1 13 13 PHE HB2 H 1 3.612 0.01 . 2 . . . . . . . . 4333 1 74 . 1 1 13 13 PHE HB3 H 1 3.023 0.01 . 2 . . . . . . . . 4333 1 75 . 1 1 13 13 PHE HD1 H 1 7.108 0.01 . 1 . . . . . . . . 4333 1 76 . 1 1 13 13 PHE HD2 H 1 7.108 0.01 . 1 . . . . . . . . 4333 1 77 . 1 1 13 13 PHE HE1 H 1 7.352 0.01 . 1 . . . . . . . . 4333 1 78 . 1 1 13 13 PHE HE2 H 1 7.352 0.01 . 1 . . . . . . . . 4333 1 79 . 1 1 13 13 PHE CA C 13 57.945 0.1 . 1 . . . . . . . . 4333 1 80 . 1 1 13 13 PHE CB C 13 36.708 0.1 . 1 . . . . . . . . 4333 1 81 . 1 1 13 13 PHE CD1 C 13 131.7 0.5 . 1 . . . . . . . . 4333 1 82 . 1 1 13 13 PHE CD2 C 13 131.7 0.5 . 1 . . . . . . . . 4333 1 83 . 1 1 13 13 PHE CE1 C 13 132.9 0.5 . 1 . . . . . . . . 4333 1 84 . 1 1 13 13 PHE CE2 C 13 132.9 0.5 . 1 . . . . . . . . 4333 1 85 . 1 1 13 13 PHE N N 15 117.567 0.1 . 1 . . . . . . . . 4333 1 86 . 1 1 14 14 ASN H H 1 8.033 0.01 . 1 . . . . . . . . 4333 1 87 . 1 1 14 14 ASN HA H 1 4.37 0.01 . 1 . . . . . . . . 4333 1 88 . 1 1 14 14 ASN HB2 H 1 2.943 0.01 . 1 . . . . . . . . 4333 1 89 . 1 1 14 14 ASN HB3 H 1 2.943 0.01 . 1 . . . . . . . . 4333 1 90 . 1 1 14 14 ASN HD21 H 1 7.583 0.01 . 2 . . . . . . . . 4333 1 91 . 1 1 14 14 ASN HD22 H 1 6.804 0.01 . 2 . . . . . . . . 4333 1 92 . 1 1 14 14 ASN CA C 13 56.676 0.1 . 1 . . . . . . . . 4333 1 93 . 1 1 14 14 ASN CB C 13 37.579 0.1 . 1 . . . . . . . . 4333 1 94 . 1 1 14 14 ASN N N 15 119.194 0.1 . 1 . . . . . . . . 4333 1 95 . 1 1 14 14 ASN ND2 N 15 112.57 0.1 . 1 . . . . . . . . 4333 1 96 . 1 1 15 15 VAL H H 1 7.504 0.01 . 1 . . . . . . . . 4333 1 97 . 1 1 15 15 VAL HA H 1 3.778 0.01 . 1 . . . . . . . . 4333 1 98 . 1 1 15 15 VAL HB H 1 2.226 0.01 . 1 . . . . . . . . 4333 1 99 . 1 1 15 15 VAL HG11 H 1 0.823 0.01 . 1 . . . . . . . . 4333 1 100 . 1 1 15 15 VAL HG12 H 1 0.823 0.01 . 1 . . . . . . . . 4333 1 101 . 1 1 15 15 VAL HG13 H 1 0.823 0.01 . 1 . . . . . . . . 4333 1 102 . 1 1 15 15 VAL HG21 H 1 1.072 0.01 . 1 . . . . . . . . 4333 1 103 . 1 1 15 15 VAL HG22 H 1 1.072 0.01 . 1 . . . . . . . . 4333 1 104 . 1 1 15 15 VAL HG23 H 1 1.072 0.01 . 1 . . . . . . . . 4333 1 105 . 1 1 15 15 VAL CA C 13 66.126 0.1 . 1 . . . . . . . . 4333 1 106 . 1 1 15 15 VAL CB C 13 32.018 0.1 . 1 . . . . . . . . 4333 1 107 . 1 1 15 15 VAL CG1 C 13 23.124 0.1 . 1 . . . . . . . . 4333 1 108 . 1 1 15 15 VAL CG2 C 13 22.926 0.1 . 1 . . . . . . . . 4333 1 109 . 1 1 15 15 VAL N N 15 119.587 0.1 . 1 . . . . . . . . 4333 1 110 . 1 1 16 16 ILE H H 1 8.136 0.01 . 1 . . . . . . . . 4333 1 111 . 1 1 16 16 ILE HA H 1 3.369 0.01 . 1 . . . . . . . . 4333 1 112 . 1 1 16 16 ILE HB H 1 1.87 0.01 . 1 . . . . . . . . 4333 1 113 . 1 1 16 16 ILE HG12 H 1 1.852 0.01 . 2 . . . . . . . . 4333 1 114 . 1 1 16 16 ILE HG13 H 1 0.637 0.01 . 2 . . . . . . . . 4333 1 115 . 1 1 16 16 ILE HG21 H 1 0.713 0.01 . 1 . . . . . . . . 4333 1 116 . 1 1 16 16 ILE HG22 H 1 0.713 0.01 . 1 . . . . . . . . 4333 1 117 . 1 1 16 16 ILE HG23 H 1 0.713 0.01 . 1 . . . . . . . . 4333 1 118 . 1 1 16 16 ILE HD11 H 1 0.791 0.01 . 1 . . . . . . . . 4333 1 119 . 1 1 16 16 ILE HD12 H 1 0.791 0.01 . 1 . . . . . . . . 4333 1 120 . 1 1 16 16 ILE HD13 H 1 0.791 0.01 . 1 . . . . . . . . 4333 1 121 . 1 1 16 16 ILE CA C 13 66.614 0.1 . 1 . . . . . . . . 4333 1 122 . 1 1 16 16 ILE CB C 13 37.878 0.1 . 1 . . . . . . . . 4333 1 123 . 1 1 16 16 ILE CG1 C 13 29.912 0.1 . 1 . . . . . . . . 4333 1 124 . 1 1 16 16 ILE CG2 C 13 18.2 0.1 . 1 . . . . . . . . 4333 1 125 . 1 1 16 16 ILE CD1 C 13 15.991 0.1 . 1 . . . . . . . . 4333 1 126 . 1 1 16 16 ILE N N 15 121.602 0.1 . 1 . . . . . . . . 4333 1 127 . 1 1 17 17 CYS H H 1 8.586 0.01 . 1 . . . . . . . . 4333 1 128 . 1 1 17 17 CYS HA H 1 3.971 0.01 . 1 . . . . . . . . 4333 1 129 . 1 1 17 17 CYS HB2 H 1 3.042 0.01 . 2 . . . . . . . . 4333 1 130 . 1 1 17 17 CYS HB3 H 1 2.717 0.01 . 2 . . . . . . . . 4333 1 131 . 1 1 17 17 CYS CA C 13 64.409 0.1 . 1 . . . . . . . . 4333 1 132 . 1 1 17 17 CYS CB C 13 27.143 0.1 . 1 . . . . . . . . 4333 1 133 . 1 1 17 17 CYS N N 15 117.287 0.1 . 1 . . . . . . . . 4333 1 134 . 1 1 18 18 ASP H H 1 7.632 0.01 . 1 . . . . . . . . 4333 1 135 . 1 1 18 18 ASP HA H 1 4.592 0.01 . 1 . . . . . . . . 4333 1 136 . 1 1 18 18 ASP HB2 H 1 2.612 0.01 . 1 . . . . . . . . 4333 1 137 . 1 1 18 18 ASP HB3 H 1 2.612 0.01 . 1 . . . . . . . . 4333 1 138 . 1 1 18 18 ASP CA C 13 55.831 0.1 . 1 . . . . . . . . 4333 1 139 . 1 1 18 18 ASP CB C 13 41.618 0.1 . 1 . . . . . . . . 4333 1 140 . 1 1 18 18 ASP N N 15 116.65 0.1 . 1 . . . . . . . . 4333 1 141 . 1 1 19 19 ASN H H 1 7.419 0.01 . 1 . . . . . . . . 4333 1 142 . 1 1 19 19 ASN HA H 1 4.936 0.01 . 1 . . . . . . . . 4333 1 143 . 1 1 19 19 ASN HB2 H 1 2.594 0.01 . 2 . . . . . . . . 4333 1 144 . 1 1 19 19 ASN HB3 H 1 2.4 0.01 . 2 . . . . . . . . 4333 1 145 . 1 1 19 19 ASN HD21 H 1 8.368 0.01 . 2 . . . . . . . . 4333 1 146 . 1 1 19 19 ASN HD22 H 1 7.462 0.01 . 2 . . . . . . . . 4333 1 147 . 1 1 19 19 ASN CA C 13 55.077 0.1 . 1 . . . . . . . . 4333 1 148 . 1 1 19 19 ASN CB C 13 43.914 0.1 . 1 . . . . . . . . 4333 1 149 . 1 1 19 19 ASN N N 15 115.07 0.1 . 1 . . . . . . . . 4333 1 150 . 1 1 19 19 ASN ND2 N 15 118.584 0.1 . 1 . . . . . . . . 4333 1 151 . 1 1 20 20 VAL H H 1 8.04 0.01 . 1 . . . . . . . . 4333 1 152 . 1 1 20 20 VAL HA H 1 4.065 0.01 . 1 . . . . . . . . 4333 1 153 . 1 1 20 20 VAL HB H 1 2.052 0.01 . 1 . . . . . . . . 4333 1 154 . 1 1 20 20 VAL HG11 H 1 0.877 0.01 . 1 . . . . . . . . 4333 1 155 . 1 1 20 20 VAL HG12 H 1 0.877 0.01 . 1 . . . . . . . . 4333 1 156 . 1 1 20 20 VAL HG13 H 1 0.877 0.01 . 1 . . . . . . . . 4333 1 157 . 1 1 20 20 VAL HG21 H 1 1.018 0.01 . 1 . . . . . . . . 4333 1 158 . 1 1 20 20 VAL HG22 H 1 1.018 0.01 . 1 . . . . . . . . 4333 1 159 . 1 1 20 20 VAL HG23 H 1 1.018 0.01 . 1 . . . . . . . . 4333 1 160 . 1 1 20 20 VAL CA C 13 63.881 0.1 . 1 . . . . . . . . 4333 1 161 . 1 1 20 20 VAL CB C 13 32.539 0.1 . 1 . . . . . . . . 4333 1 162 . 1 1 20 20 VAL CG1 C 13 21.495 0.1 . 1 . . . . . . . . 4333 1 163 . 1 1 20 20 VAL CG2 C 13 23.728 0.1 . 1 . . . . . . . . 4333 1 164 . 1 1 20 20 VAL N N 15 121.456 0.1 . 1 . . . . . . . . 4333 1 165 . 1 1 21 21 GLY H H 1 8.551 0.01 . 1 . . . . . . . . 4333 1 166 . 1 1 21 21 GLY HA2 H 1 4.023 0.01 . 2 . . . . . . . . 4333 1 167 . 1 1 21 21 GLY HA3 H 1 3.753 0.01 . 2 . . . . . . . . 4333 1 168 . 1 1 21 21 GLY CA C 13 46.455 0.1 . 1 . . . . . . . . 4333 1 169 . 1 1 21 21 GLY N N 15 113.607 0.1 . 1 . . . . . . . . 4333 1 170 . 1 1 22 22 LYS H H 1 8.844 0.01 . 1 . . . . . . . . 4333 1 171 . 1 1 22 22 LYS HA H 1 4.226 0.01 . 1 . . . . . . . . 4333 1 172 . 1 1 22 22 LYS HB2 H 1 1.938 0.01 . 1 . . . . . . . . 4333 1 173 . 1 1 22 22 LYS HB3 H 1 1.938 0.01 . 1 . . . . . . . . 4333 1 174 . 1 1 22 22 LYS HG2 H 1 1.512 0.01 . 1 . . . . . . . . 4333 1 175 . 1 1 22 22 LYS HG3 H 1 1.512 0.01 . 1 . . . . . . . . 4333 1 176 . 1 1 22 22 LYS HD2 H 1 1.722 0.01 . 1 . . . . . . . . 4333 1 177 . 1 1 22 22 LYS HD3 H 1 1.722 0.01 . 1 . . . . . . . . 4333 1 178 . 1 1 22 22 LYS HE2 H 1 3.03 0.01 . 1 . . . . . . . . 4333 1 179 . 1 1 22 22 LYS HE3 H 1 3.03 0.01 . 1 . . . . . . . . 4333 1 180 . 1 1 22 22 LYS CA C 13 59.249 0.1 . 1 . . . . . . . . 4333 1 181 . 1 1 22 22 LYS CB C 13 32.513 0.1 . 1 . . . . . . . . 4333 1 182 . 1 1 22 22 LYS CG C 13 24.716 0.1 . 1 . . . . . . . . 4333 1 183 . 1 1 22 22 LYS CD C 13 29.455 0.1 . 1 . . . . . . . . 4333 1 184 . 1 1 22 22 LYS CE C 13 42.315 0.1 . 1 . . . . . . . . 4333 1 185 . 1 1 22 22 LYS N N 15 124.951 0.1 . 1 . . . . . . . . 4333 1 186 . 1 1 23 23 ASP H H 1 8.421 0.01 . 1 . . . . . . . . 4333 1 187 . 1 1 23 23 ASP HA H 1 4.919 0.01 . 1 . . . . . . . . 4333 1 188 . 1 1 23 23 ASP HB2 H 1 2.953 0.01 . 2 . . . . . . . . 4333 1 189 . 1 1 23 23 ASP HB3 H 1 2.611 0.01 . 2 . . . . . . . . 4333 1 190 . 1 1 23 23 ASP CA C 13 54.49 0.1 . 1 . . . . . . . . 4333 1 191 . 1 1 23 23 ASP CB C 13 40.29 0.1 . 1 . . . . . . . . 4333 1 192 . 1 1 23 23 ASP N N 15 119.331 0.1 . 1 . . . . . . . . 4333 1 193 . 1 1 24 24 TRP H H 1 7.968 0.01 . 1 . . . . . . . . 4333 1 194 . 1 1 24 24 TRP HA H 1 3.903 0.01 . 1 . . . . . . . . 4333 1 195 . 1 1 24 24 TRP HB2 H 1 3.373 0.01 . 2 . . . . . . . . 4333 1 196 . 1 1 24 24 TRP HB3 H 1 3.305 0.01 . 2 . . . . . . . . 4333 1 197 . 1 1 24 24 TRP HD1 H 1 7.509 0.01 . 1 . . . . . . . . 4333 1 198 . 1 1 24 24 TRP HE1 H 1 10.79 0.01 . 1 . . . . . . . . 4333 1 199 . 1 1 24 24 TRP HE3 H 1 7.214 0.01 . 1 . . . . . . . . 4333 1 200 . 1 1 24 24 TRP HZ2 H 1 7.549 0.01 . 1 . . . . . . . . 4333 1 201 . 1 1 24 24 TRP HZ3 H 1 6.827 0.01 . 1 . . . . . . . . 4333 1 202 . 1 1 24 24 TRP HH2 H 1 7.378 0.01 . 1 . . . . . . . . 4333 1 203 . 1 1 24 24 TRP CA C 13 60.439 0.1 . 1 . . . . . . . . 4333 1 204 . 1 1 24 24 TRP CB C 13 27.891 0.1 . 1 . . . . . . . . 4333 1 205 . 1 1 24 24 TRP CD1 C 13 128.1 0.5 . 1 . . . . . . . . 4333 1 206 . 1 1 24 24 TRP CE3 C 13 120.8 0.5 . 1 . . . . . . . . 4333 1 207 . 1 1 24 24 TRP CZ2 C 13 114.95 0.5 . 1 . . . . . . . . 4333 1 208 . 1 1 24 24 TRP CZ3 C 13 122.7 0.5 . 1 . . . . . . . . 4333 1 209 . 1 1 24 24 TRP N N 15 119.895 0.1 . 1 . . . . . . . . 4333 1 210 . 1 1 24 24 TRP NE1 N 15 130.2 0.1 . 1 . . . . . . . . 4333 1 211 . 1 1 25 25 ARG H H 1 7.068 0.01 . 1 . . . . . . . . 4333 1 212 . 1 1 25 25 ARG HA H 1 2.703 0.01 . 1 . . . . . . . . 4333 1 213 . 1 1 25 25 ARG HB2 H 1 1.159 0.01 . 2 . . . . . . . . 4333 1 214 . 1 1 25 25 ARG HB3 H 1 0.819 0.01 . 2 . . . . . . . . 4333 1 215 . 1 1 25 25 ARG HG2 H 1 0.387 0.01 . 2 . . . . . . . . 4333 1 216 . 1 1 25 25 ARG HG3 H 1 0.263 0.01 . 2 . . . . . . . . 4333 1 217 . 1 1 25 25 ARG HD2 H 1 2.857 0.01 . 1 . . . . . . . . 4333 1 218 . 1 1 25 25 ARG HD3 H 1 2.857 0.01 . 1 . . . . . . . . 4333 1 219 . 1 1 25 25 ARG HE H 1 7.095 0.01 . 1 . . . . . . . . 4333 1 220 . 1 1 25 25 ARG CA C 13 60.121 0.1 . 1 . . . . . . . . 4333 1 221 . 1 1 25 25 ARG CB C 13 29.626 0.1 . 1 . . . . . . . . 4333 1 222 . 1 1 25 25 ARG CG C 13 28.055 0.1 . 1 . . . . . . . . 4333 1 223 . 1 1 25 25 ARG CD C 13 43.056 0.1 . 1 . . . . . . . . 4333 1 224 . 1 1 25 25 ARG N N 15 123.086 0.1 . 1 . . . . . . . . 4333 1 225 . 1 1 26 26 ARG H H 1 7.347 0.01 . 1 . . . . . . . . 4333 1 226 . 1 1 26 26 ARG HA H 1 3.825 0.01 . 1 . . . . . . . . 4333 1 227 . 1 1 26 26 ARG HB2 H 1 1.833 0.01 . 2 . . . . . . . . 4333 1 228 . 1 1 26 26 ARG HB3 H 1 1.769 0.01 . 2 . . . . . . . . 4333 1 229 . 1 1 26 26 ARG HG2 H 1 1.665 0.01 . 2 . . . . . . . . 4333 1 230 . 1 1 26 26 ARG HG3 H 1 1.572 0.01 . 2 . . . . . . . . 4333 1 231 . 1 1 26 26 ARG HD2 H 1 3.218 0.01 . 1 . . . . . . . . 4333 1 232 . 1 1 26 26 ARG HD3 H 1 3.218 0.01 . 1 . . . . . . . . 4333 1 233 . 1 1 26 26 ARG CA C 13 59.167 0.1 . 1 . . . . . . . . 4333 1 234 . 1 1 26 26 ARG CB C 13 30.388 0.1 . 1 . . . . . . . . 4333 1 235 . 1 1 26 26 ARG CG C 13 27.674 0.1 . 1 . . . . . . . . 4333 1 236 . 1 1 26 26 ARG CD C 13 43.854 0.1 . 1 . . . . . . . . 4333 1 237 . 1 1 26 26 ARG N N 15 118.654 0.1 . 1 . . . . . . . . 4333 1 238 . 1 1 27 27 LEU H H 1 6.986 0.01 . 1 . . . . . . . . 4333 1 239 . 1 1 27 27 LEU HA H 1 4.256 0.01 . 1 . . . . . . . . 4333 1 240 . 1 1 27 27 LEU HB2 H 1 1.891 0.01 . 2 . . . . . . . . 4333 1 241 . 1 1 27 27 LEU HB3 H 1 1.262 0.01 . 2 . . . . . . . . 4333 1 242 . 1 1 27 27 LEU HG H 1 1.283 0.01 . 1 . . . . . . . . 4333 1 243 . 1 1 27 27 LEU HD11 H 1 0.635 0.01 . 1 . . . . . . . . 4333 1 244 . 1 1 27 27 LEU HD12 H 1 0.635 0.01 . 1 . . . . . . . . 4333 1 245 . 1 1 27 27 LEU HD13 H 1 0.635 0.01 . 1 . . . . . . . . 4333 1 246 . 1 1 27 27 LEU HD21 H 1 0.744 0.01 . 1 . . . . . . . . 4333 1 247 . 1 1 27 27 LEU HD22 H 1 0.744 0.01 . 1 . . . . . . . . 4333 1 248 . 1 1 27 27 LEU HD23 H 1 0.744 0.01 . 1 . . . . . . . . 4333 1 249 . 1 1 27 27 LEU CA C 13 57.467 0.1 . 1 . . . . . . . . 4333 1 250 . 1 1 27 27 LEU CB C 13 41.042 0.1 . 1 . . . . . . . . 4333 1 251 . 1 1 27 27 LEU CG C 13 27.409 0.1 . 1 . . . . . . . . 4333 1 252 . 1 1 27 27 LEU CD1 C 13 22.465 0.1 . 1 . . . . . . . . 4333 1 253 . 1 1 27 27 LEU CD2 C 13 26.594 0.1 . 1 . . . . . . . . 4333 1 254 . 1 1 27 27 LEU N N 15 119.902 0.1 . 1 . . . . . . . . 4333 1 255 . 1 1 28 28 ALA H H 1 8.151 0.01 . 1 . . . . . . . . 4333 1 256 . 1 1 28 28 ALA HA H 1 3.714 0.01 . 1 . . . . . . . . 4333 1 257 . 1 1 28 28 ALA HB1 H 1 1.334 0.01 . 1 . . . . . . . . 4333 1 258 . 1 1 28 28 ALA HB2 H 1 1.334 0.01 . 1 . . . . . . . . 4333 1 259 . 1 1 28 28 ALA HB3 H 1 1.334 0.01 . 1 . . . . . . . . 4333 1 260 . 1 1 28 28 ALA CA C 13 56.21 0.1 . 1 . . . . . . . . 4333 1 261 . 1 1 28 28 ALA CB C 13 17.372 0.1 . 1 . . . . . . . . 4333 1 262 . 1 1 28 28 ALA N N 15 121.168 0.1 . 1 . . . . . . . . 4333 1 263 . 1 1 29 29 ARG H H 1 8.021 0.01 . 1 . . . . . . . . 4333 1 264 . 1 1 29 29 ARG HA H 1 4.038 0.01 . 1 . . . . . . . . 4333 1 265 . 1 1 29 29 ARG HB2 H 1 1.709 0.01 . 1 . . . . . . . . 4333 1 266 . 1 1 29 29 ARG HB3 H 1 1.709 0.01 . 1 . . . . . . . . 4333 1 267 . 1 1 29 29 ARG HG2 H 1 1.723 0.01 . 2 . . . . . . . . 4333 1 268 . 1 1 29 29 ARG HG3 H 1 1.506 0.01 . 2 . . . . . . . . 4333 1 269 . 1 1 29 29 ARG HD2 H 1 3.082 0.01 . 1 . . . . . . . . 4333 1 270 . 1 1 29 29 ARG HD3 H 1 3.082 0.01 . 1 . . . . . . . . 4333 1 271 . 1 1 29 29 ARG HE H 1 7.502 0.01 . 1 . . . . . . . . 4333 1 272 . 1 1 29 29 ARG CA C 13 59.458 0.1 . 1 . . . . . . . . 4333 1 273 . 1 1 29 29 ARG CB C 13 30.234 0.1 . 1 . . . . . . . . 4333 1 274 . 1 1 29 29 ARG CG C 13 28.127 0.1 . 1 . . . . . . . . 4333 1 275 . 1 1 29 29 ARG CD C 13 43.36 0.1 . 1 . . . . . . . . 4333 1 276 . 1 1 29 29 ARG N N 15 115.621 0.1 . 1 . . . . . . . . 4333 1 277 . 1 1 29 29 ARG NE N 15 86.361 0.1 . 1 . . . . . . . . 4333 1 278 . 1 1 30 30 GLN H H 1 7.651 0.01 . 1 . . . . . . . . 4333 1 279 . 1 1 30 30 GLN HA H 1 3.873 0.01 . 1 . . . . . . . . 4333 1 280 . 1 1 30 30 GLN HB2 H 1 2.16 0.01 . 2 . . . . . . . . 4333 1 281 . 1 1 30 30 GLN HB3 H 1 2.055 0.01 . 2 . . . . . . . . 4333 1 282 . 1 1 30 30 GLN HG2 H 1 2.685 0.01 . 2 . . . . . . . . 4333 1 283 . 1 1 30 30 GLN HG3 H 1 2.266 0.01 . 2 . . . . . . . . 4333 1 284 . 1 1 30 30 GLN HE21 H 1 7.558 0.01 . 2 . . . . . . . . 4333 1 285 . 1 1 30 30 GLN HE22 H 1 6.918 0.01 . 2 . . . . . . . . 4333 1 286 . 1 1 30 30 GLN CA C 13 57.947 0.1 . 1 . . . . . . . . 4333 1 287 . 1 1 30 30 GLN CB C 13 28.105 0.1 . 1 . . . . . . . . 4333 1 288 . 1 1 30 30 GLN CG C 13 33.431 0.1 . 1 . . . . . . . . 4333 1 289 . 1 1 30 30 GLN N N 15 123.614 0.1 . 1 . . . . . . . . 4333 1 290 . 1 1 30 30 GLN NE2 N 15 114.109 0.1 . 1 . . . . . . . . 4333 1 291 . 1 1 31 31 LEU H H 1 7.81 0.01 . 1 . . . . . . . . 4333 1 292 . 1 1 31 31 LEU HA H 1 4.088 0.01 . 1 . . . . . . . . 4333 1 293 . 1 1 31 31 LEU HB2 H 1 1.708 0.01 . 1 . . . . . . . . 4333 1 294 . 1 1 31 31 LEU HB3 H 1 1.708 0.01 . 1 . . . . . . . . 4333 1 295 . 1 1 31 31 LEU HG H 1 1.449 0.01 . 1 . . . . . . . . 4333 1 296 . 1 1 31 31 LEU HD11 H 1 0.125 0.01 . 1 . . . . . . . . 4333 1 297 . 1 1 31 31 LEU HD12 H 1 0.125 0.01 . 1 . . . . . . . . 4333 1 298 . 1 1 31 31 LEU HD13 H 1 0.125 0.01 . 1 . . . . . . . . 4333 1 299 . 1 1 31 31 LEU HD21 H 1 -0.371 0.01 . 1 . . . . . . . . 4333 1 300 . 1 1 31 31 LEU HD22 H 1 -0.371 0.01 . 1 . . . . . . . . 4333 1 301 . 1 1 31 31 LEU HD23 H 1 -0.371 0.01 . 1 . . . . . . . . 4333 1 302 . 1 1 31 31 LEU CA C 13 54.843 0.1 . 1 . . . . . . . . 4333 1 303 . 1 1 31 31 LEU CB C 13 40.075 0.1 . 1 . . . . . . . . 4333 1 304 . 1 1 31 31 LEU CG C 13 25.41 0.1 . 1 . . . . . . . . 4333 1 305 . 1 1 31 31 LEU CD1 C 13 25.46 0.1 . 1 . . . . . . . . 4333 1 306 . 1 1 31 31 LEU CD2 C 13 19.477 0.1 . 1 . . . . . . . . 4333 1 307 . 1 1 31 31 LEU N N 15 118.234 0.1 . 1 . . . . . . . . 4333 1 308 . 1 1 32 32 LYS H H 1 7.677 0.01 . 1 . . . . . . . . 4333 1 309 . 1 1 32 32 LYS HA H 1 3.715 0.01 . 1 . . . . . . . . 4333 1 310 . 1 1 32 32 LYS HB2 H 1 2.338 0.01 . 2 . . . . . . . . 4333 1 311 . 1 1 32 32 LYS HB3 H 1 1.971 0.01 . 2 . . . . . . . . 4333 1 312 . 1 1 32 32 LYS HG2 H 1 1.372 0.01 . 2 . . . . . . . . 4333 1 313 . 1 1 32 32 LYS HG3 H 1 1.327 0.01 . 2 . . . . . . . . 4333 1 314 . 1 1 32 32 LYS HD2 H 1 1.701 0.01 . 1 . . . . . . . . 4333 1 315 . 1 1 32 32 LYS HD3 H 1 1.701 0.01 . 1 . . . . . . . . 4333 1 316 . 1 1 32 32 LYS HE2 H 1 3.029 0.01 . 1 . . . . . . . . 4333 1 317 . 1 1 32 32 LYS HE3 H 1 3.029 0.01 . 1 . . . . . . . . 4333 1 318 . 1 1 32 32 LYS CA C 13 57.504 0.1 . 1 . . . . . . . . 4333 1 319 . 1 1 32 32 LYS CB C 13 28.335 0.1 . 1 . . . . . . . . 4333 1 320 . 1 1 32 32 LYS CG C 13 25.147 0.1 . 1 . . . . . . . . 4333 1 321 . 1 1 32 32 LYS CD C 13 29.25 0.1 . 1 . . . . . . . . 4333 1 322 . 1 1 32 32 LYS CE C 13 42.621 0.1 . 1 . . . . . . . . 4333 1 323 . 1 1 32 32 LYS N N 15 110.786 0.1 . 1 . . . . . . . . 4333 1 324 . 1 1 33 33 VAL H H 1 7.946 0.01 . 1 . . . . . . . . 4333 1 325 . 1 1 33 33 VAL HA H 1 3.833 0.01 . 1 . . . . . . . . 4333 1 326 . 1 1 33 33 VAL HB H 1 1.718 0.01 . 1 . . . . . . . . 4333 1 327 . 1 1 33 33 VAL HG11 H 1 1.049 0.01 . 1 . . . . . . . . 4333 1 328 . 1 1 33 33 VAL HG12 H 1 1.049 0.01 . 1 . . . . . . . . 4333 1 329 . 1 1 33 33 VAL HG13 H 1 1.049 0.01 . 1 . . . . . . . . 4333 1 330 . 1 1 33 33 VAL HG21 H 1 1.007 0.01 . 1 . . . . . . . . 4333 1 331 . 1 1 33 33 VAL HG22 H 1 1.007 0.01 . 1 . . . . . . . . 4333 1 332 . 1 1 33 33 VAL HG23 H 1 1.007 0.01 . 1 . . . . . . . . 4333 1 333 . 1 1 33 33 VAL CA C 13 63.643 0.1 . 1 . . . . . . . . 4333 1 334 . 1 1 33 33 VAL CB C 13 31.305 0.1 . 1 . . . . . . . . 4333 1 335 . 1 1 33 33 VAL CG1 C 13 23.031 0.1 . 1 . . . . . . . . 4333 1 336 . 1 1 33 33 VAL CG2 C 13 21.731 0.1 . 1 . . . . . . . . 4333 1 337 . 1 1 33 33 VAL N N 15 123.31 0.1 . 1 . . . . . . . . 4333 1 338 . 1 1 34 34 SER H H 1 8.448 0.01 . 1 . . . . . . . . 4333 1 339 . 1 1 34 34 SER HA H 1 4.231 0.01 . 1 . . . . . . . . 4333 1 340 . 1 1 34 34 SER HB2 H 1 4.037 0.01 . 1 . . . . . . . . 4333 1 341 . 1 1 34 34 SER HB3 H 1 4.037 0.01 . 1 . . . . . . . . 4333 1 342 . 1 1 34 34 SER CA C 13 58.411 0.1 . 1 . . . . . . . . 4333 1 343 . 1 1 34 34 SER CB C 13 64.724 0.1 . 1 . . . . . . . . 4333 1 344 . 1 1 34 34 SER N N 15 124.052 0.1 . 1 . . . . . . . . 4333 1 345 . 1 1 35 35 ASP H H 1 8.772 0.01 . 1 . . . . . . . . 4333 1 346 . 1 1 35 35 ASP HA H 1 4.273 0.01 . 1 . . . . . . . . 4333 1 347 . 1 1 35 35 ASP HB2 H 1 2.701 0.01 . 2 . . . . . . . . 4333 1 348 . 1 1 35 35 ASP HB3 H 1 2.588 0.01 . 2 . . . . . . . . 4333 1 349 . 1 1 35 35 ASP CA C 13 58.307 0.1 . 1 . . . . . . . . 4333 1 350 . 1 1 35 35 ASP CB C 13 40.21 0.1 . 1 . . . . . . . . 4333 1 351 . 1 1 35 35 ASP N N 15 122.953 0.1 . 1 . . . . . . . . 4333 1 352 . 1 1 36 36 THR H H 1 8.02 0.01 . 1 . . . . . . . . 4333 1 353 . 1 1 36 36 THR HA H 1 4.091 0.01 . 1 . . . . . . . . 4333 1 354 . 1 1 36 36 THR HB H 1 4.049 0.01 . 1 . . . . . . . . 4333 1 355 . 1 1 36 36 THR HG21 H 1 1.247 0.01 . 1 . . . . . . . . 4333 1 356 . 1 1 36 36 THR HG22 H 1 1.247 0.01 . 1 . . . . . . . . 4333 1 357 . 1 1 36 36 THR HG23 H 1 1.247 0.01 . 1 . . . . . . . . 4333 1 358 . 1 1 36 36 THR CA C 13 65.485 0.1 . 1 . . . . . . . . 4333 1 359 . 1 1 36 36 THR CB C 13 68.98 0.1 . 1 . . . . . . . . 4333 1 360 . 1 1 36 36 THR CG2 C 13 21.998 0.1 . 1 . . . . . . . . 4333 1 361 . 1 1 36 36 THR N N 15 112.408 0.1 . 1 . . . . . . . . 4333 1 362 . 1 1 37 37 LYS H H 1 7.586 0.01 . 1 . . . . . . . . 4333 1 363 . 1 1 37 37 LYS HA H 1 4.164 0.01 . 1 . . . . . . . . 4333 1 364 . 1 1 37 37 LYS HB2 H 1 2.054 0.01 . 2 . . . . . . . . 4333 1 365 . 1 1 37 37 LYS HB3 H 1 1.774 0.01 . 2 . . . . . . . . 4333 1 366 . 1 1 37 37 LYS HG2 H 1 1.467 0.01 . 1 . . . . . . . . 4333 1 367 . 1 1 37 37 LYS HG3 H 1 1.467 0.01 . 1 . . . . . . . . 4333 1 368 . 1 1 37 37 LYS HD2 H 1 1.741 0.01 . 1 . . . . . . . . 4333 1 369 . 1 1 37 37 LYS HD3 H 1 1.741 0.01 . 1 . . . . . . . . 4333 1 370 . 1 1 37 37 LYS HE2 H 1 2.968 0.01 . 1 . . . . . . . . 4333 1 371 . 1 1 37 37 LYS HE3 H 1 2.968 0.01 . 1 . . . . . . . . 4333 1 372 . 1 1 37 37 LYS CA C 13 58.663 0.1 . 1 . . . . . . . . 4333 1 373 . 1 1 37 37 LYS CB C 13 31.88 0.1 . 1 . . . . . . . . 4333 1 374 . 1 1 37 37 LYS CG C 13 25.806 0.1 . 1 . . . . . . . . 4333 1 375 . 1 1 37 37 LYS CD C 13 28.837 0.1 . 1 . . . . . . . . 4333 1 376 . 1 1 37 37 LYS CE C 13 42.101 0.1 . 1 . . . . . . . . 4333 1 377 . 1 1 37 37 LYS N N 15 124.519 0.1 . 1 . . . . . . . . 4333 1 378 . 1 1 38 38 ILE H H 1 8.719 0.01 . 1 . . . . . . . . 4333 1 379 . 1 1 38 38 ILE HA H 1 3.598 0.01 . 1 . . . . . . . . 4333 1 380 . 1 1 38 38 ILE HB H 1 1.918 0.01 . 1 . . . . . . . . 4333 1 381 . 1 1 38 38 ILE HG12 H 1 1.818 0.01 . 2 . . . . . . . . 4333 1 382 . 1 1 38 38 ILE HG13 H 1 0.475 0.01 . 2 . . . . . . . . 4333 1 383 . 1 1 38 38 ILE HG21 H 1 0.74 0.01 . 1 . . . . . . . . 4333 1 384 . 1 1 38 38 ILE HG22 H 1 0.74 0.01 . 1 . . . . . . . . 4333 1 385 . 1 1 38 38 ILE HG23 H 1 0.74 0.01 . 1 . . . . . . . . 4333 1 386 . 1 1 38 38 ILE HD11 H 1 0.621 0.01 . 1 . . . . . . . . 4333 1 387 . 1 1 38 38 ILE HD12 H 1 0.621 0.01 . 1 . . . . . . . . 4333 1 388 . 1 1 38 38 ILE HD13 H 1 0.621 0.01 . 1 . . . . . . . . 4333 1 389 . 1 1 38 38 ILE CA C 13 67.348 0.1 . 1 . . . . . . . . 4333 1 390 . 1 1 38 38 ILE CB C 13 38.003 0.1 . 1 . . . . . . . . 4333 1 391 . 1 1 38 38 ILE CG1 C 13 30.359 0.1 . 1 . . . . . . . . 4333 1 392 . 1 1 38 38 ILE CG2 C 13 18.244 0.1 . 1 . . . . . . . . 4333 1 393 . 1 1 38 38 ILE CD1 C 13 14.684 0.1 . 1 . . . . . . . . 4333 1 394 . 1 1 38 38 ILE N N 15 123.252 0.1 . 1 . . . . . . . . 4333 1 395 . 1 1 39 39 ASP H H 1 8.076 0.01 . 1 . . . . . . . . 4333 1 396 . 1 1 39 39 ASP HA H 1 4.416 0.01 . 1 . . . . . . . . 4333 1 397 . 1 1 39 39 ASP HB2 H 1 2.729 0.01 . 1 . . . . . . . . 4333 1 398 . 1 1 39 39 ASP HB3 H 1 2.729 0.01 . 1 . . . . . . . . 4333 1 399 . 1 1 39 39 ASP CA C 13 57.827 0.1 . 1 . . . . . . . . 4333 1 400 . 1 1 39 39 ASP CB C 13 39.897 0.1 . 1 . . . . . . . . 4333 1 401 . 1 1 39 39 ASP N N 15 119.918 0.1 . 1 . . . . . . . . 4333 1 402 . 1 1 40 40 SER H H 1 7.693 0.01 . 1 . . . . . . . . 4333 1 403 . 1 1 40 40 SER HA H 1 4.313 0.01 . 1 . . . . . . . . 4333 1 404 . 1 1 40 40 SER HB2 H 1 4.051 0.01 . 1 . . . . . . . . 4333 1 405 . 1 1 40 40 SER HB3 H 1 4.051 0.01 . 1 . . . . . . . . 4333 1 406 . 1 1 40 40 SER CA C 13 61.492 0.1 . 1 . . . . . . . . 4333 1 407 . 1 1 40 40 SER CB C 13 63.143 0.1 . 1 . . . . . . . . 4333 1 408 . 1 1 40 40 SER N N 15 115.827 0.1 . 1 . . . . . . . . 4333 1 409 . 1 1 41 41 ILE H H 1 8.422 0.01 . 1 . . . . . . . . 4333 1 410 . 1 1 41 41 ILE HA H 1 3.581 0.01 . 1 . . . . . . . . 4333 1 411 . 1 1 41 41 ILE HB H 1 2.36 0.01 . 1 . . . . . . . . 4333 1 412 . 1 1 41 41 ILE HG12 H 1 0.921 0.01 . 2 . . . . . . . . 4333 1 413 . 1 1 41 41 ILE HG13 H 1 2.083 0.01 . 2 . . . . . . . . 4333 1 414 . 1 1 41 41 ILE HG21 H 1 0.906 0.01 . 1 . . . . . . . . 4333 1 415 . 1 1 41 41 ILE HG22 H 1 0.906 0.01 . 1 . . . . . . . . 4333 1 416 . 1 1 41 41 ILE HG23 H 1 0.906 0.01 . 1 . . . . . . . . 4333 1 417 . 1 1 41 41 ILE HD11 H 1 0.9 0.01 . 1 . . . . . . . . 4333 1 418 . 1 1 41 41 ILE HD12 H 1 0.9 0.01 . 1 . . . . . . . . 4333 1 419 . 1 1 41 41 ILE HD13 H 1 0.9 0.01 . 1 . . . . . . . . 4333 1 420 . 1 1 41 41 ILE CA C 13 66.395 0.1 . 1 . . . . . . . . 4333 1 421 . 1 1 41 41 ILE CB C 13 38.275 0.1 . 1 . . . . . . . . 4333 1 422 . 1 1 41 41 ILE CG1 C 13 29.768 0.1 . 1 . . . . . . . . 4333 1 423 . 1 1 41 41 ILE CG2 C 13 19.713 0.1 . 1 . . . . . . . . 4333 1 424 . 1 1 41 41 ILE CD1 C 13 14.133 0.1 . 1 . . . . . . . . 4333 1 425 . 1 1 41 41 ILE N N 15 125.278 0.1 . 1 . . . . . . . . 4333 1 426 . 1 1 42 42 GLU H H 1 8.063 0.01 . 1 . . . . . . . . 4333 1 427 . 1 1 42 42 GLU HA H 1 3.554 0.01 . 1 . . . . . . . . 4333 1 428 . 1 1 42 42 GLU HB2 H 1 2.357 0.01 . 2 . . . . . . . . 4333 1 429 . 1 1 42 42 GLU HB3 H 1 2.291 0.01 . 2 . . . . . . . . 4333 1 430 . 1 1 42 42 GLU HG2 H 1 2.341 0.01 . 1 . . . . . . . . 4333 1 431 . 1 1 42 42 GLU HG3 H 1 2.341 0.01 . 1 . . . . . . . . 4333 1 432 . 1 1 42 42 GLU CA C 13 60.314 0.1 . 1 . . . . . . . . 4333 1 433 . 1 1 42 42 GLU CB C 13 29.57 0.1 . 1 . . . . . . . . 4333 1 434 . 1 1 42 42 GLU CG C 13 36.809 0.1 . 1 . . . . . . . . 4333 1 435 . 1 1 42 42 GLU N N 15 120.111 0.1 . 1 . . . . . . . . 4333 1 436 . 1 1 43 43 ASP H H 1 7.644 0.01 . 1 . . . . . . . . 4333 1 437 . 1 1 43 43 ASP HA H 1 4.276 0.01 . 1 . . . . . . . . 4333 1 438 . 1 1 43 43 ASP HB2 H 1 2.694 0.01 . 2 . . . . . . . . 4333 1 439 . 1 1 43 43 ASP HB3 H 1 2.61 0.01 . 2 . . . . . . . . 4333 1 440 . 1 1 43 43 ASP CA C 13 56.64 0.1 . 1 . . . . . . . . 4333 1 441 . 1 1 43 43 ASP CB C 13 41.77 0.1 . 1 . . . . . . . . 4333 1 442 . 1 1 43 43 ASP N N 15 116.635 0.1 . 1 . . . . . . . . 4333 1 443 . 1 1 44 44 ARG H H 1 7.722 0.01 . 1 . . . . . . . . 4333 1 444 . 1 1 44 44 ARG HA H 1 3.804 0.01 . 1 . . . . . . . . 4333 1 445 . 1 1 44 44 ARG HB2 H 1 1.57 0.01 . 2 . . . . . . . . 4333 1 446 . 1 1 44 44 ARG HB3 H 1 1.267 0.01 . 2 . . . . . . . . 4333 1 447 . 1 1 44 44 ARG HG2 H 1 1.167 0.01 . 2 . . . . . . . . 4333 1 448 . 1 1 44 44 ARG HG3 H 1 0.97 0.01 . 2 . . . . . . . . 4333 1 449 . 1 1 44 44 ARG HD2 H 1 2.944 0.01 . 2 . . . . . . . . 4333 1 450 . 1 1 44 44 ARG HD3 H 1 2.915 0.01 . 2 . . . . . . . . 4333 1 451 . 1 1 44 44 ARG CA C 13 57.827 0.1 . 1 . . . . . . . . 4333 1 452 . 1 1 44 44 ARG CB C 13 31.063 0.1 . 1 . . . . . . . . 4333 1 453 . 1 1 44 44 ARG CG C 13 27.401 0.1 . 1 . . . . . . . . 4333 1 454 . 1 1 44 44 ARG CD C 13 43.637 0.1 . 1 . . . . . . . . 4333 1 455 . 1 1 44 44 ARG N N 15 118.47 0.1 . 1 . . . . . . . . 4333 1 456 . 1 1 45 45 TYR H H 1 7.269 0.01 . 1 . . . . . . . . 4333 1 457 . 1 1 45 45 TYR HA H 1 5.187 0.01 . 1 . . . . . . . . 4333 1 458 . 1 1 45 45 TYR HB2 H 1 3.11 0.01 . 2 . . . . . . . . 4333 1 459 . 1 1 45 45 TYR HB3 H 1 2.554 0.01 . 2 . . . . . . . . 4333 1 460 . 1 1 45 45 TYR HD1 H 1 7.083 0.01 . 1 . . . . . . . . 4333 1 461 . 1 1 45 45 TYR HD2 H 1 7.083 0.01 . 1 . . . . . . . . 4333 1 462 . 1 1 45 45 TYR HE1 H 1 6.595 0.01 . 1 . . . . . . . . 4333 1 463 . 1 1 45 45 TYR HE2 H 1 6.595 0.01 . 1 . . . . . . . . 4333 1 464 . 1 1 45 45 TYR CA C 13 54.689 0.1 . 1 . . . . . . . . 4333 1 465 . 1 1 45 45 TYR CB C 13 38.843 0.1 . 1 . . . . . . . . 4333 1 466 . 1 1 45 45 TYR CD1 C 13 134.4 0.5 . 1 . . . . . . . . 4333 1 467 . 1 1 45 45 TYR CD2 C 13 134.4 0.5 . 1 . . . . . . . . 4333 1 468 . 1 1 45 45 TYR CE1 C 13 117.2 0.5 . 1 . . . . . . . . 4333 1 469 . 1 1 45 45 TYR CE2 C 13 117.2 0.5 . 1 . . . . . . . . 4333 1 470 . 1 1 45 45 TYR N N 15 115.893 0.1 . 1 . . . . . . . . 4333 1 471 . 1 1 46 46 PRO HA H 1 4.398 0.01 . 1 . . . . . . . . 4333 1 472 . 1 1 46 46 PRO HB2 H 1 2.405 0.01 . 2 . . . . . . . . 4333 1 473 . 1 1 46 46 PRO HB3 H 1 1.908 0.01 . 2 . . . . . . . . 4333 1 474 . 1 1 46 46 PRO HG2 H 1 2.04 0.01 . 2 . . . . . . . . 4333 1 475 . 1 1 46 46 PRO HG3 H 1 1.886 0.01 . 2 . . . . . . . . 4333 1 476 . 1 1 46 46 PRO HD2 H 1 3.645 0.01 . 2 . . . . . . . . 4333 1 477 . 1 1 46 46 PRO HD3 H 1 3.374 0.01 . 2 . . . . . . . . 4333 1 478 . 1 1 46 46 PRO CA C 13 65.222 0.1 . 1 . . . . . . . . 4333 1 479 . 1 1 46 46 PRO CB C 13 32.418 0.1 . 1 . . . . . . . . 4333 1 480 . 1 1 46 46 PRO CG C 13 27.525 0.1 . 1 . . . . . . . . 4333 1 481 . 1 1 46 46 PRO CD C 13 50.718 0.1 . 1 . . . . . . . . 4333 1 482 . 1 1 47 47 ARG H H 1 8.48 0.01 . 1 . . . . . . . . 4333 1 483 . 1 1 47 47 ARG HA H 1 4.505 0.01 . 1 . . . . . . . . 4333 1 484 . 1 1 47 47 ARG HB2 H 1 2.013 0.01 . 2 . . . . . . . . 4333 1 485 . 1 1 47 47 ARG HB3 H 1 1.735 0.01 . 2 . . . . . . . . 4333 1 486 . 1 1 47 47 ARG HG2 H 1 1.541 0.01 . 1 . . . . . . . . 4333 1 487 . 1 1 47 47 ARG HG3 H 1 1.541 0.01 . 1 . . . . . . . . 4333 1 488 . 1 1 47 47 ARG HD2 H 1 3.221 0.01 . 2 . . . . . . . . 4333 1 489 . 1 1 47 47 ARG HD3 H 1 3.178 0.01 . 2 . . . . . . . . 4333 1 490 . 1 1 47 47 ARG CA C 13 55.754 0.1 . 1 . . . . . . . . 4333 1 491 . 1 1 47 47 ARG CB C 13 31.56 0.1 . 1 . . . . . . . . 4333 1 492 . 1 1 47 47 ARG CG C 13 27.683 0.1 . 1 . . . . . . . . 4333 1 493 . 1 1 47 47 ARG CD C 13 42.992 0.1 . 1 . . . . . . . . 4333 1 494 . 1 1 47 47 ARG N N 15 116.16 0.1 . 1 . . . . . . . . 4333 1 495 . 1 1 48 48 ASN H H 1 7.133 0.01 . 1 . . . . . . . . 4333 1 496 . 1 1 48 48 ASN HA H 1 4.793 0.01 . 1 . . . . . . . . 4333 1 497 . 1 1 48 48 ASN HB2 H 1 2.887 0.01 . 2 . . . . . . . . 4333 1 498 . 1 1 48 48 ASN HB3 H 1 2.592 0.01 . 2 . . . . . . . . 4333 1 499 . 1 1 48 48 ASN HD21 H 1 6.961 0.01 . 2 . . . . . . . . 4333 1 500 . 1 1 48 48 ASN HD22 H 1 7.639 0.01 . 2 . . . . . . . . 4333 1 501 . 1 1 48 48 ASN CA C 13 52.724 0.1 . 1 . . . . . . . . 4333 1 502 . 1 1 48 48 ASN CB C 13 39.62 0.1 . 1 . . . . . . . . 4333 1 503 . 1 1 48 48 ASN N N 15 118.48 0.1 . 1 . . . . . . . . 4333 1 504 . 1 1 48 48 ASN ND2 N 15 113.246 0.1 . 1 . . . . . . . . 4333 1 505 . 1 1 49 49 LEU H H 1 8.485 0.01 . 1 . . . . . . . . 4333 1 506 . 1 1 49 49 LEU HA H 1 3.477 0.01 . 1 . . . . . . . . 4333 1 507 . 1 1 49 49 LEU HB2 H 1 1.652 0.01 . 2 . . . . . . . . 4333 1 508 . 1 1 49 49 LEU HB3 H 1 1.444 0.01 . 2 . . . . . . . . 4333 1 509 . 1 1 49 49 LEU HG H 1 1.522 0.01 . 1 . . . . . . . . 4333 1 510 . 1 1 49 49 LEU HD11 H 1 0.805 0.01 . 1 . . . . . . . . 4333 1 511 . 1 1 49 49 LEU HD12 H 1 0.805 0.01 . 1 . . . . . . . . 4333 1 512 . 1 1 49 49 LEU HD13 H 1 0.805 0.01 . 1 . . . . . . . . 4333 1 513 . 1 1 49 49 LEU HD21 H 1 0.708 0.01 . 1 . . . . . . . . 4333 1 514 . 1 1 49 49 LEU HD22 H 1 0.708 0.01 . 1 . . . . . . . . 4333 1 515 . 1 1 49 49 LEU HD23 H 1 0.708 0.01 . 1 . . . . . . . . 4333 1 516 . 1 1 49 49 LEU CA C 13 58.426 0.1 . 1 . . . . . . . . 4333 1 517 . 1 1 49 49 LEU CB C 13 41.784 0.1 . 1 . . . . . . . . 4333 1 518 . 1 1 49 49 LEU CG C 13 27.467 0.1 . 1 . . . . . . . . 4333 1 519 . 1 1 49 49 LEU CD1 C 13 24.703 0.1 . 1 . . . . . . . . 4333 1 520 . 1 1 49 49 LEU CD2 C 13 23.905 0.1 . 1 . . . . . . . . 4333 1 521 . 1 1 49 49 LEU N N 15 125.275 0.1 . 1 . . . . . . . . 4333 1 522 . 1 1 50 50 THR H H 1 7.889 0.01 . 1 . . . . . . . . 4333 1 523 . 1 1 50 50 THR HA H 1 3.837 0.01 . 1 . . . . . . . . 4333 1 524 . 1 1 50 50 THR HB H 1 4.078 0.01 . 1 . . . . . . . . 4333 1 525 . 1 1 50 50 THR HG21 H 1 1.209 0.01 . 1 . . . . . . . . 4333 1 526 . 1 1 50 50 THR HG22 H 1 1.209 0.01 . 1 . . . . . . . . 4333 1 527 . 1 1 50 50 THR HG23 H 1 1.209 0.01 . 1 . . . . . . . . 4333 1 528 . 1 1 50 50 THR CA C 13 66.454 0.1 . 1 . . . . . . . . 4333 1 529 . 1 1 50 50 THR CB C 13 68.698 0.1 . 1 . . . . . . . . 4333 1 530 . 1 1 50 50 THR CG2 C 13 22.062 0.1 . 1 . . . . . . . . 4333 1 531 . 1 1 50 50 THR N N 15 114.139 0.1 . 1 . . . . . . . . 4333 1 532 . 1 1 51 51 GLU H H 1 7.246 0.01 . 1 . . . . . . . . 4333 1 533 . 1 1 51 51 GLU HA H 1 3.738 0.01 . 1 . . . . . . . . 4333 1 534 . 1 1 51 51 GLU HB2 H 1 1.148 0.01 . 2 . . . . . . . . 4333 1 535 . 1 1 51 51 GLU HB3 H 1 0.833 0.01 . 2 . . . . . . . . 4333 1 536 . 1 1 51 51 GLU HG2 H 1 1.933 0.01 . 2 . . . . . . . . 4333 1 537 . 1 1 51 51 GLU HG3 H 1 1.859 0.01 . 2 . . . . . . . . 4333 1 538 . 1 1 51 51 GLU CA C 13 57.955 0.1 . 1 . . . . . . . . 4333 1 539 . 1 1 51 51 GLU CB C 13 28.727 0.1 . 1 . . . . . . . . 4333 1 540 . 1 1 51 51 GLU CG C 13 36.063 0.1 . 1 . . . . . . . . 4333 1 541 . 1 1 51 51 GLU N N 15 119.235 0.1 . 1 . . . . . . . . 4333 1 542 . 1 1 52 52 ARG H H 1 6.93 0.01 . 1 . . . . . . . . 4333 1 543 . 1 1 52 52 ARG HA H 1 3.438 0.01 . 1 . . . . . . . . 4333 1 544 . 1 1 52 52 ARG HB2 H 1 1.171 0.01 . 2 . . . . . . . . 4333 1 545 . 1 1 52 52 ARG HB3 H 1 0.258 0.01 . 2 . . . . . . . . 4333 1 546 . 1 1 52 52 ARG HG2 H 1 1.853 0.01 . 2 . . . . . . . . 4333 1 547 . 1 1 52 52 ARG HG3 H 1 1.095 0.01 . 2 . . . . . . . . 4333 1 548 . 1 1 52 52 ARG HD2 H 1 2.212 0.01 . 2 . . . . . . . . 4333 1 549 . 1 1 52 52 ARG HD3 H 1 1.931 0.01 . 2 . . . . . . . . 4333 1 550 . 1 1 52 52 ARG HE H 1 6.557 0.01 . 1 . . . . . . . . 4333 1 551 . 1 1 52 52 ARG CA C 13 58.967 0.1 . 1 . . . . . . . . 4333 1 552 . 1 1 52 52 ARG CB C 13 28.532 0.1 . 1 . . . . . . . . 4333 1 553 . 1 1 52 52 ARG CG C 13 27.215 0.1 . 1 . . . . . . . . 4333 1 554 . 1 1 52 52 ARG CD C 13 43.645 0.1 . 1 . . . . . . . . 4333 1 555 . 1 1 52 52 ARG N N 15 117.625 0.1 . 1 . . . . . . . . 4333 1 556 . 1 1 52 52 ARG NE N 15 82.665 0.1 . 1 . . . . . . . . 4333 1 557 . 1 1 53 53 VAL H H 1 7.315 0.01 . 1 . . . . . . . . 4333 1 558 . 1 1 53 53 VAL HA H 1 3.453 0.01 . 1 . . . . . . . . 4333 1 559 . 1 1 53 53 VAL HB H 1 2.236 0.01 . 1 . . . . . . . . 4333 1 560 . 1 1 53 53 VAL HG11 H 1 0.837 0.01 . 1 . . . . . . . . 4333 1 561 . 1 1 53 53 VAL HG12 H 1 0.837 0.01 . 1 . . . . . . . . 4333 1 562 . 1 1 53 53 VAL HG13 H 1 0.837 0.01 . 1 . . . . . . . . 4333 1 563 . 1 1 53 53 VAL HG21 H 1 1 0.01 . 2 . . . . . . . . 4333 1 564 . 1 1 53 53 VAL HG22 H 1 1 0.01 . 2 . . . . . . . . 4333 1 565 . 1 1 53 53 VAL HG23 H 1 1 0.01 . 2 . . . . . . . . 4333 1 566 . 1 1 53 53 VAL CA C 13 66.234 0.1 . 1 . . . . . . . . 4333 1 567 . 1 1 53 53 VAL CB C 13 31.434 0.1 . 1 . . . . . . . . 4333 1 568 . 1 1 53 53 VAL CG1 C 13 22.931 0.1 . 1 . . . . . . . . 4333 1 569 . 1 1 53 53 VAL CG2 C 13 22.834 0.1 . 1 . . . . . . . . 4333 1 570 . 1 1 53 53 VAL N N 15 120.023 0.1 . 1 . . . . . . . . 4333 1 571 . 1 1 54 54 ARG H H 1 8.165 0.01 . 1 . . . . . . . . 4333 1 572 . 1 1 54 54 ARG HA H 1 3.373 0.01 . 1 . . . . . . . . 4333 1 573 . 1 1 54 54 ARG HB2 H 1 1.907 0.01 . 2 . . . . . . . . 4333 1 574 . 1 1 54 54 ARG HB3 H 1 1.682 0.01 . 2 . . . . . . . . 4333 1 575 . 1 1 54 54 ARG HG2 H 1 1.517 0.01 . 1 . . . . . . . . 4333 1 576 . 1 1 54 54 ARG HG3 H 1 1.517 0.01 . 1 . . . . . . . . 4333 1 577 . 1 1 54 54 ARG HD2 H 1 3.227 0.01 . 2 . . . . . . . . 4333 1 578 . 1 1 54 54 ARG HD3 H 1 3.088 0.01 . 2 . . . . . . . . 4333 1 579 . 1 1 54 54 ARG CA C 13 60.431 0.1 . 1 . . . . . . . . 4333 1 580 . 1 1 54 54 ARG CB C 13 30.042 0.1 . 1 . . . . . . . . 4333 1 581 . 1 1 54 54 ARG CG C 13 27.966 0.1 . 1 . . . . . . . . 4333 1 582 . 1 1 54 54 ARG CD C 13 42.835 0.1 . 1 . . . . . . . . 4333 1 583 . 1 1 54 54 ARG N N 15 121.102 0.1 . 1 . . . . . . . . 4333 1 584 . 1 1 55 55 GLU H H 1 8.142 0.01 . 1 . . . . . . . . 4333 1 585 . 1 1 55 55 GLU HA H 1 4.335 0.01 . 1 . . . . . . . . 4333 1 586 . 1 1 55 55 GLU HB2 H 1 2.123 0.01 . 2 . . . . . . . . 4333 1 587 . 1 1 55 55 GLU HB3 H 1 1.872 0.01 . 2 . . . . . . . . 4333 1 588 . 1 1 55 55 GLU HG2 H 1 2.396 0.01 . 2 . . . . . . . . 4333 1 589 . 1 1 55 55 GLU HG3 H 1 2.327 0.01 . 2 . . . . . . . . 4333 1 590 . 1 1 55 55 GLU CA C 13 58.602 0.1 . 1 . . . . . . . . 4333 1 591 . 1 1 55 55 GLU CB C 13 28.946 0.1 . 1 . . . . . . . . 4333 1 592 . 1 1 55 55 GLU CG C 13 35.446 0.1 . 1 . . . . . . . . 4333 1 593 . 1 1 55 55 GLU N N 15 118.932 0.1 . 1 . . . . . . . . 4333 1 594 . 1 1 56 56 SER H H 1 7.81 0.01 . 1 . . . . . . . . 4333 1 595 . 1 1 56 56 SER HA H 1 4.027 0.01 . 1 . . . . . . . . 4333 1 596 . 1 1 56 56 SER HB2 H 1 4.119 0.01 . 2 . . . . . . . . 4333 1 597 . 1 1 56 56 SER HB3 H 1 3.76 0.01 . 2 . . . . . . . . 4333 1 598 . 1 1 56 56 SER CA C 13 63.162 0.1 . 1 . . . . . . . . 4333 1 599 . 1 1 56 56 SER CB C 13 63.205 0.1 . 1 . . . . . . . . 4333 1 600 . 1 1 56 56 SER N N 15 116.526 0.1 . 1 . . . . . . . . 4333 1 601 . 1 1 57 57 LEU H H 1 7.559 0.01 . 1 . . . . . . . . 4333 1 602 . 1 1 57 57 LEU HA H 1 3.832 0.01 . 1 . . . . . . . . 4333 1 603 . 1 1 57 57 LEU HB2 H 1 1.175 0.01 . 2 . . . . . . . . 4333 1 604 . 1 1 57 57 LEU HB3 H 1 -0.035 0.01 . 2 . . . . . . . . 4333 1 605 . 1 1 57 57 LEU HG H 1 1.494 0.01 . 1 . . . . . . . . 4333 1 606 . 1 1 57 57 LEU HD11 H 1 0.337 0.01 . 1 . . . . . . . . 4333 1 607 . 1 1 57 57 LEU HD12 H 1 0.337 0.01 . 1 . . . . . . . . 4333 1 608 . 1 1 57 57 LEU HD13 H 1 0.337 0.01 . 1 . . . . . . . . 4333 1 609 . 1 1 57 57 LEU HD21 H 1 0.318 0.01 . 1 . . . . . . . . 4333 1 610 . 1 1 57 57 LEU HD22 H 1 0.318 0.01 . 1 . . . . . . . . 4333 1 611 . 1 1 57 57 LEU HD23 H 1 0.318 0.01 . 1 . . . . . . . . 4333 1 612 . 1 1 57 57 LEU CA C 13 57.584 0.1 . 1 . . . . . . . . 4333 1 613 . 1 1 57 57 LEU CB C 13 39.676 0.1 . 1 . . . . . . . . 4333 1 614 . 1 1 57 57 LEU CG C 13 25.727 0.1 . 1 . . . . . . . . 4333 1 615 . 1 1 57 57 LEU CD1 C 13 26.513 0.1 . 1 . . . . . . . . 4333 1 616 . 1 1 57 57 LEU CD2 C 13 22.041 0.1 . 1 . . . . . . . . 4333 1 617 . 1 1 57 57 LEU N N 15 121.436 0.1 . 1 . . . . . . . . 4333 1 618 . 1 1 58 58 ARG H H 1 8.031 0.01 . 1 . . . . . . . . 4333 1 619 . 1 1 58 58 ARG HA H 1 3.953 0.01 . 1 . . . . . . . . 4333 1 620 . 1 1 58 58 ARG HB2 H 1 1.976 0.01 . 1 . . . . . . . . 4333 1 621 . 1 1 58 58 ARG HB3 H 1 1.976 0.01 . 1 . . . . . . . . 4333 1 622 . 1 1 58 58 ARG HG2 H 1 1.79 0.01 . 2 . . . . . . . . 4333 1 623 . 1 1 58 58 ARG HG3 H 1 1.545 0.01 . 2 . . . . . . . . 4333 1 624 . 1 1 58 58 ARG HD2 H 1 3.279 0.01 . 2 . . . . . . . . 4333 1 625 . 1 1 58 58 ARG HD3 H 1 3.172 0.01 . 2 . . . . . . . . 4333 1 626 . 1 1 58 58 ARG CA C 13 60.349 0.1 . 1 . . . . . . . . 4333 1 627 . 1 1 58 58 ARG CB C 13 30.714 0.1 . 1 . . . . . . . . 4333 1 628 . 1 1 58 58 ARG CG C 13 28.221 0.1 . 1 . . . . . . . . 4333 1 629 . 1 1 58 58 ARG CD C 13 43.533 0.1 . 1 . . . . . . . . 4333 1 630 . 1 1 58 58 ARG N N 15 120.709 0.1 . 1 . . . . . . . . 4333 1 631 . 1 1 59 59 ILE H H 1 8.317 0.1 . 1 . . . . . . . . 4333 1 632 . 1 1 59 59 ILE HA H 1 3.737 0.01 . 1 . . . . . . . . 4333 1 633 . 1 1 59 59 ILE HB H 1 1.973 0.01 . 1 . . . . . . . . 4333 1 634 . 1 1 59 59 ILE HG12 H 1 1.835 0.01 . 2 . . . . . . . . 4333 1 635 . 1 1 59 59 ILE HG13 H 1 1.207 0.01 . 2 . . . . . . . . 4333 1 636 . 1 1 59 59 ILE HG21 H 1 0.998 0.01 . 1 . . . . . . . . 4333 1 637 . 1 1 59 59 ILE HG22 H 1 0.998 0.01 . 1 . . . . . . . . 4333 1 638 . 1 1 59 59 ILE HG23 H 1 0.998 0.01 . 1 . . . . . . . . 4333 1 639 . 1 1 59 59 ILE HD11 H 1 0.916 0.01 . 1 . . . . . . . . 4333 1 640 . 1 1 59 59 ILE HD12 H 1 0.916 0.01 . 1 . . . . . . . . 4333 1 641 . 1 1 59 59 ILE HD13 H 1 0.916 0.01 . 1 . . . . . . . . 4333 1 642 . 1 1 59 59 ILE CA C 13 65.33 0.1 . 1 . . . . . . . . 4333 1 643 . 1 1 59 59 ILE CB C 13 37.984 0.1 . 1 . . . . . . . . 4333 1 644 . 1 1 59 59 ILE CG1 C 13 29.218 0.1 . 1 . . . . . . . . 4333 1 645 . 1 1 59 59 ILE CG2 C 13 18.014 0.1 . 1 . . . . . . . . 4333 1 646 . 1 1 59 59 ILE CD1 C 13 14.795 0.1 . 1 . . . . . . . . 4333 1 647 . 1 1 59 59 ILE N N 15 120.826 0.1 . 1 . . . . . . . . 4333 1 648 . 1 1 60 60 TRP H H 1 8.226 0.01 . 1 . . . . . . . . 4333 1 649 . 1 1 60 60 TRP HA H 1 4.478 0.01 . 1 . . . . . . . . 4333 1 650 . 1 1 60 60 TRP HB2 H 1 3.639 0.01 . 2 . . . . . . . . 4333 1 651 . 1 1 60 60 TRP HB3 H 1 3.184 0.01 . 2 . . . . . . . . 4333 1 652 . 1 1 60 60 TRP HD1 H 1 7.677 0.01 . 1 . . . . . . . . 4333 1 653 . 1 1 60 60 TRP HE1 H 1 10.219 0.01 . 1 . . . . . . . . 4333 1 654 . 1 1 60 60 TRP HE3 H 1 7.921 0.01 . 1 . . . . . . . . 4333 1 655 . 1 1 60 60 TRP HZ2 H 1 7.243 0.01 . 1 . . . . . . . . 4333 1 656 . 1 1 60 60 TRP HZ3 H 1 7.111 0.01 . 1 . . . . . . . . 4333 1 657 . 1 1 60 60 TRP HH2 H 1 7.331 0.01 . 1 . . . . . . . . 4333 1 658 . 1 1 60 60 TRP CA C 13 61.749 0.1 . 1 . . . . . . . . 4333 1 659 . 1 1 60 60 TRP CB C 13 28.166 0.1 . 1 . . . . . . . . 4333 1 660 . 1 1 60 60 TRP CD1 C 13 129.8 0.5 . 1 . . . . . . . . 4333 1 661 . 1 1 60 60 TRP CZ2 C 13 114 0.5 . 1 . . . . . . . . 4333 1 662 . 1 1 60 60 TRP CZ3 C 13 120.9 0.5 . 1 . . . . . . . . 4333 1 663 . 1 1 60 60 TRP N N 15 124.685 0.1 . 1 . . . . . . . . 4333 1 664 . 1 1 60 60 TRP NE1 N 15 131.8 0.1 . 1 . . . . . . . . 4333 1 665 . 1 1 61 61 LYS HA H 1 3.205 0.01 . 1 . . . . . . . . 4333 1 666 . 1 1 61 61 LYS HB2 H 1 2.161 0.01 . 2 . . . . . . . . 4333 1 667 . 1 1 61 61 LYS HB3 H 1 2.114 0.01 . 2 . . . . . . . . 4333 1 668 . 1 1 61 61 LYS HG2 H 1 1.423 0.01 . 2 . . . . . . . . 4333 1 669 . 1 1 61 61 LYS HG3 H 1 1.337 0.01 . 2 . . . . . . . . 4333 1 670 . 1 1 61 61 LYS HD2 H 1 1.732 0.01 . 1 . . . . . . . . 4333 1 671 . 1 1 61 61 LYS HD3 H 1 1.732 0.01 . 1 . . . . . . . . 4333 1 672 . 1 1 61 61 LYS HE2 H 1 2.941 0.01 . 1 . . . . . . . . 4333 1 673 . 1 1 61 61 LYS HE3 H 1 2.941 0.01 . 1 . . . . . . . . 4333 1 674 . 1 1 61 61 LYS CA C 13 59.474 0.1 . 1 . . . . . . . . 4333 1 675 . 1 1 61 61 LYS CB C 13 32.807 0.1 . 1 . . . . . . . . 4333 1 676 . 1 1 61 61 LYS CG C 13 20.175 0.1 . 1 . . . . . . . . 4333 1 677 . 1 1 61 61 LYS CE C 13 42.319 0.1 . 1 . . . . . . . . 4333 1 678 . 1 1 61 61 LYS N N 15 120.967 0.1 . 1 . . . . . . . . 4333 1 679 . 1 1 62 62 ASN H H 1 8.331 0.01 . 1 . . . . . . . . 4333 1 680 . 1 1 62 62 ASN HA H 1 4.409 0.01 . 1 . . . . . . . . 4333 1 681 . 1 1 62 62 ASN HB2 H 1 2.904 0.01 . 2 . . . . . . . . 4333 1 682 . 1 1 62 62 ASN HB3 H 1 2.819 0.01 . 2 . . . . . . . . 4333 1 683 . 1 1 62 62 ASN HD21 H 1 7.59 0.01 . 2 . . . . . . . . 4333 1 684 . 1 1 62 62 ASN HD22 H 1 6.906 0.01 . 2 . . . . . . . . 4333 1 685 . 1 1 62 62 ASN CA C 13 55.37 0.1 . 1 . . . . . . . . 4333 1 686 . 1 1 62 62 ASN CB C 13 38.736 0.1 . 1 . . . . . . . . 4333 1 687 . 1 1 62 62 ASN N N 15 117.432 0.1 . 1 . . . . . . . . 4333 1 688 . 1 1 62 62 ASN ND2 N 15 112.497 0.1 . 1 . . . . . . . . 4333 1 689 . 1 1 63 63 THR H H 1 8.091 0.01 . 1 . . . . . . . . 4333 1 690 . 1 1 63 63 THR HA H 1 4.008 0.01 . 1 . . . . . . . . 4333 1 691 . 1 1 63 63 THR HB H 1 4.267 0.01 . 1 . . . . . . . . 4333 1 692 . 1 1 63 63 THR HG21 H 1 1.224 0.01 . 1 . . . . . . . . 4333 1 693 . 1 1 63 63 THR HG22 H 1 1.224 0.01 . 1 . . . . . . . . 4333 1 694 . 1 1 63 63 THR HG23 H 1 1.224 0.01 . 1 . . . . . . . . 4333 1 695 . 1 1 63 63 THR CA C 13 65.865 0.1 . 1 . . . . . . . . 4333 1 696 . 1 1 63 63 THR CB C 13 69.432 0.1 . 1 . . . . . . . . 4333 1 697 . 1 1 63 63 THR CG2 C 13 21.22 0.1 . 1 . . . . . . . . 4333 1 698 . 1 1 63 63 THR N N 15 116.3 0.1 . 1 . . . . . . . . 4333 1 699 . 1 1 64 64 GLU H H 1 8.356 0.01 . 1 . . . . . . . . 4333 1 700 . 1 1 64 64 GLU HA H 1 3.954 0.01 . 1 . . . . . . . . 4333 1 701 . 1 1 64 64 GLU HB2 H 1 1.374 0.01 . 2 . . . . . . . . 4333 1 702 . 1 1 64 64 GLU HB3 H 1 0.857 0.01 . 2 . . . . . . . . 4333 1 703 . 1 1 64 64 GLU HG2 H 1 1.876 0.01 . 2 . . . . . . . . 4333 1 704 . 1 1 64 64 GLU HG3 H 1 1.725 0.01 . 2 . . . . . . . . 4333 1 705 . 1 1 64 64 GLU CA C 13 57.041 0.1 . 1 . . . . . . . . 4333 1 706 . 1 1 64 64 GLU CB C 13 29.874 0.1 . 1 . . . . . . . . 4333 1 707 . 1 1 64 64 GLU CG C 13 35.887 0.1 . 1 . . . . . . . . 4333 1 708 . 1 1 64 64 GLU N N 15 119.545 0.1 . 1 . . . . . . . . 4333 1 709 . 1 1 65 65 LYS H H 1 7.894 0.01 . 1 . . . . . . . . 4333 1 710 . 1 1 65 65 LYS HA H 1 3.718 0.01 . 1 . . . . . . . . 4333 1 711 . 1 1 65 65 LYS HB2 H 1 1.939 0.01 . 2 . . . . . . . . 4333 1 712 . 1 1 65 65 LYS HB3 H 1 1.751 0.01 . 2 . . . . . . . . 4333 1 713 . 1 1 65 65 LYS HG2 H 1 1.285 0.01 . 1 . . . . . . . . 4333 1 714 . 1 1 65 65 LYS HG3 H 1 1.285 0.01 . 1 . . . . . . . . 4333 1 715 . 1 1 65 65 LYS HD2 H 1 1.721 0.01 . 2 . . . . . . . . 4333 1 716 . 1 1 65 65 LYS HD3 H 1 1.629 0.01 . 2 . . . . . . . . 4333 1 717 . 1 1 65 65 LYS HE2 H 1 3.028 0.01 . 1 . . . . . . . . 4333 1 718 . 1 1 65 65 LYS HE3 H 1 3.028 0.01 . 1 . . . . . . . . 4333 1 719 . 1 1 65 65 LYS CA C 13 58.611 0.1 . 1 . . . . . . . . 4333 1 720 . 1 1 65 65 LYS CB C 13 30.278 0.1 . 1 . . . . . . . . 4333 1 721 . 1 1 65 65 LYS CG C 13 25.318 0.1 . 1 . . . . . . . . 4333 1 722 . 1 1 65 65 LYS CD C 13 29.129 0.1 . 1 . . . . . . . . 4333 1 723 . 1 1 65 65 LYS CE C 13 42.849 0.1 . 1 . . . . . . . . 4333 1 724 . 1 1 65 65 LYS N N 15 118.595 0.1 . 1 . . . . . . . . 4333 1 725 . 1 1 66 66 GLU H H 1 9.323 0.01 . 1 . . . . . . . . 4333 1 726 . 1 1 66 66 GLU HA H 1 4.104 0.01 . 1 . . . . . . . . 4333 1 727 . 1 1 66 66 GLU HB2 H 1 2.053 0.01 . 2 . . . . . . . . 4333 1 728 . 1 1 66 66 GLU HB3 H 1 1.994 0.01 . 2 . . . . . . . . 4333 1 729 . 1 1 66 66 GLU HG2 H 1 2.312 0.01 . 2 . . . . . . . . 4333 1 730 . 1 1 66 66 GLU HG3 H 1 2.229 0.01 . 2 . . . . . . . . 4333 1 731 . 1 1 66 66 GLU CA C 13 59.114 0.1 . 1 . . . . . . . . 4333 1 732 . 1 1 66 66 GLU CB C 13 28.369 0.1 . 1 . . . . . . . . 4333 1 733 . 1 1 66 66 GLU CG C 13 36.146 0.1 . 1 . . . . . . . . 4333 1 734 . 1 1 66 66 GLU N N 15 125.167 0.1 . 1 . . . . . . . . 4333 1 735 . 1 1 67 67 ASN H H 1 8.115 0.01 . 1 . . . . . . . . 4333 1 736 . 1 1 67 67 ASN HA H 1 4.799 0.01 . 1 . . . . . . . . 4333 1 737 . 1 1 67 67 ASN HB2 H 1 2.902 0.01 . 2 . . . . . . . . 4333 1 738 . 1 1 67 67 ASN HB3 H 1 2.699 0.01 . 2 . . . . . . . . 4333 1 739 . 1 1 67 67 ASN HD21 H 1 7.855 0.01 . 2 . . . . . . . . 4333 1 740 . 1 1 67 67 ASN HD22 H 1 6.933 0.01 . 2 . . . . . . . . 4333 1 741 . 1 1 67 67 ASN CA C 13 53.426 0.1 . 1 . . . . . . . . 4333 1 742 . 1 1 67 67 ASN CB C 13 38.893 0.1 . 1 . . . . . . . . 4333 1 743 . 1 1 67 67 ASN N N 15 116.3 0.1 . 1 . . . . . . . . 4333 1 744 . 1 1 67 67 ASN ND2 N 15 115.443 0.1 . 1 . . . . . . . . 4333 1 745 . 1 1 68 68 ALA H H 1 7.792 0.01 . 1 . . . . . . . . 4333 1 746 . 1 1 68 68 ALA HA H 1 4.015 0.01 . 1 . . . . . . . . 4333 1 747 . 1 1 68 68 ALA HB1 H 1 0.613 0.01 . 1 . . . . . . . . 4333 1 748 . 1 1 68 68 ALA HB2 H 1 0.613 0.01 . 1 . . . . . . . . 4333 1 749 . 1 1 68 68 ALA HB3 H 1 0.613 0.01 . 1 . . . . . . . . 4333 1 750 . 1 1 68 68 ALA CA C 13 51.705 0.1 . 1 . . . . . . . . 4333 1 751 . 1 1 68 68 ALA CB C 13 16.593 0.1 . 1 . . . . . . . . 4333 1 752 . 1 1 68 68 ALA N N 15 127.75 0.1 . 1 . . . . . . . . 4333 1 753 . 1 1 69 69 THR H H 1 7.212 0.01 . 1 . . . . . . . . 4333 1 754 . 1 1 69 69 THR HA H 1 4.83 0.01 . 1 . . . . . . . . 4333 1 755 . 1 1 69 69 THR HB H 1 4.629 0.01 . 1 . . . . . . . . 4333 1 756 . 1 1 69 69 THR HG21 H 1 1.134 0.01 . 1 . . . . . . . . 4333 1 757 . 1 1 69 69 THR HG22 H 1 1.134 0.01 . 1 . . . . . . . . 4333 1 758 . 1 1 69 69 THR HG23 H 1 1.134 0.01 . 1 . . . . . . . . 4333 1 759 . 1 1 69 69 THR CA C 13 58.696 0.1 . 1 . . . . . . . . 4333 1 760 . 1 1 69 69 THR CB C 13 72.026 0.1 . 1 . . . . . . . . 4333 1 761 . 1 1 69 69 THR CG2 C 13 21.761 0.1 . 1 . . . . . . . . 4333 1 762 . 1 1 69 69 THR N N 15 112.596 0.1 . 1 . . . . . . . . 4333 1 763 . 1 1 70 70 VAL H H 1 9.107 0.01 . 1 . . . . . . . . 4333 1 764 . 1 1 70 70 VAL HA H 1 3.484 0.01 . 1 . . . . . . . . 4333 1 765 . 1 1 70 70 VAL HB H 1 1.993 0.01 . 1 . . . . . . . . 4333 1 766 . 1 1 70 70 VAL HG11 H 1 0.798 0.01 . 1 . . . . . . . . 4333 1 767 . 1 1 70 70 VAL HG12 H 1 0.798 0.01 . 1 . . . . . . . . 4333 1 768 . 1 1 70 70 VAL HG13 H 1 0.798 0.01 . 1 . . . . . . . . 4333 1 769 . 1 1 70 70 VAL HG21 H 1 0.934 0.01 . 1 . . . . . . . . 4333 1 770 . 1 1 70 70 VAL HG22 H 1 0.934 0.01 . 1 . . . . . . . . 4333 1 771 . 1 1 70 70 VAL HG23 H 1 0.934 0.01 . 1 . . . . . . . . 4333 1 772 . 1 1 70 70 VAL CA C 13 67.913 0.1 . 1 . . . . . . . . 4333 1 773 . 1 1 70 70 VAL CB C 13 31.316 0.1 . 1 . . . . . . . . 4333 1 774 . 1 1 70 70 VAL CG1 C 13 21.831 0.1 . 1 . . . . . . . . 4333 1 775 . 1 1 70 70 VAL CG2 C 13 24.099 0.1 . 1 . . . . . . . . 4333 1 776 . 1 1 70 70 VAL N N 15 123.435 0.1 . 1 . . . . . . . . 4333 1 777 . 1 1 71 71 ALA H H 1 8.623 0.01 . 1 . . . . . . . . 4333 1 778 . 1 1 71 71 ALA HA H 1 4.046 0.01 . 1 . . . . . . . . 4333 1 779 . 1 1 71 71 ALA HB1 H 1 1.322 0.01 . 1 . . . . . . . . 4333 1 780 . 1 1 71 71 ALA HB2 H 1 1.322 0.01 . 1 . . . . . . . . 4333 1 781 . 1 1 71 71 ALA HB3 H 1 1.322 0.01 . 1 . . . . . . . . 4333 1 782 . 1 1 71 71 ALA CA C 13 55.698 0.1 . 1 . . . . . . . . 4333 1 783 . 1 1 71 71 ALA CB C 13 18.109 0.1 . 1 . . . . . . . . 4333 1 784 . 1 1 71 71 ALA N N 15 121.191 0.1 . 1 . . . . . . . . 4333 1 785 . 1 1 72 72 HIS H H 1 8.03 0.01 . 1 . . . . . . . . 4333 1 786 . 1 1 72 72 HIS HA H 1 4.587 0.01 . 1 . . . . . . . . 4333 1 787 . 1 1 72 72 HIS HB2 H 1 3.592 0.01 . 2 . . . . . . . . 4333 1 788 . 1 1 72 72 HIS HB3 H 1 3.525 0.01 . 2 . . . . . . . . 4333 1 789 . 1 1 72 72 HIS HD2 H 1 7.251 0.01 . 2 . . . . . . . . 4333 1 790 . 1 1 72 72 HIS HE1 H 1 8.28 0.1 . 1 . . . . . . . . 4333 1 791 . 1 1 72 72 HIS CA C 13 58.573 0.1 . 1 . . . . . . . . 4333 1 792 . 1 1 72 72 HIS CB C 13 30.017 0.1 . 1 . . . . . . . . 4333 1 793 . 1 1 72 72 HIS CD2 C 13 124.6 0.5 . 1 . . . . . . . . 4333 1 794 . 1 1 72 72 HIS CE1 C 13 138 0.5 . 1 . . . . . . . . 4333 1 795 . 1 1 72 72 HIS N N 15 117.683 0.1 . 1 . . . . . . . . 4333 1 796 . 1 1 73 73 LEU H H 1 8.288 0.01 . 1 . . . . . . . . 4333 1 797 . 1 1 73 73 LEU HA H 1 3.728 0.01 . 1 . . . . . . . . 4333 1 798 . 1 1 73 73 LEU HB2 H 1 1.937 0.01 . 2 . . . . . . . . 4333 1 799 . 1 1 73 73 LEU HB3 H 1 1.75 0.01 . 2 . . . . . . . . 4333 1 800 . 1 1 73 73 LEU HG H 1 1.464 0.01 . 1 . . . . . . . . 4333 1 801 . 1 1 73 73 LEU HD11 H 1 0.42 0.01 . 1 . . . . . . . . 4333 1 802 . 1 1 73 73 LEU HD12 H 1 0.42 0.01 . 1 . . . . . . . . 4333 1 803 . 1 1 73 73 LEU HD13 H 1 0.42 0.01 . 1 . . . . . . . . 4333 1 804 . 1 1 73 73 LEU HD21 H 1 0.464 0.01 . 1 . . . . . . . . 4333 1 805 . 1 1 73 73 LEU HD22 H 1 0.464 0.01 . 1 . . . . . . . . 4333 1 806 . 1 1 73 73 LEU HD23 H 1 0.464 0.01 . 1 . . . . . . . . 4333 1 807 . 1 1 73 73 LEU CA C 13 57.991 0.1 . 1 . . . . . . . . 4333 1 808 . 1 1 73 73 LEU CB C 13 42.388 0.1 . 1 . . . . . . . . 4333 1 809 . 1 1 73 73 LEU CG C 13 26.51 0.1 . 1 . . . . . . . . 4333 1 810 . 1 1 73 73 LEU CD1 C 13 23.07 0.1 . 1 . . . . . . . . 4333 1 811 . 1 1 73 73 LEU CD2 C 13 24.885 0.1 . 1 . . . . . . . . 4333 1 812 . 1 1 73 73 LEU N N 15 124.888 0.1 . 1 . . . . . . . . 4333 1 813 . 1 1 74 74 VAL H H 1 8.783 0.01 . 1 . . . . . . . . 4333 1 814 . 1 1 74 74 VAL HA H 1 3.389 0.01 . 1 . . . . . . . . 4333 1 815 . 1 1 74 74 VAL HB H 1 2.147 0.01 . 1 . . . . . . . . 4333 1 816 . 1 1 74 74 VAL HG11 H 1 0.905 0.01 . 1 . . . . . . . . 4333 1 817 . 1 1 74 74 VAL HG12 H 1 0.905 0.01 . 1 . . . . . . . . 4333 1 818 . 1 1 74 74 VAL HG13 H 1 0.905 0.01 . 1 . . . . . . . . 4333 1 819 . 1 1 74 74 VAL HG21 H 1 1.008 0.01 . 1 . . . . . . . . 4333 1 820 . 1 1 74 74 VAL HG22 H 1 1.008 0.01 . 1 . . . . . . . . 4333 1 821 . 1 1 74 74 VAL HG23 H 1 1.008 0.01 . 1 . . . . . . . . 4333 1 822 . 1 1 74 74 VAL CA C 13 67.787 0.1 . 1 . . . . . . . . 4333 1 823 . 1 1 74 74 VAL CB C 13 31.986 0.1 . 1 . . . . . . . . 4333 1 824 . 1 1 74 74 VAL CG1 C 13 21.615 0.1 . 1 . . . . . . . . 4333 1 825 . 1 1 74 74 VAL CG2 C 13 23.823 0.1 . 1 . . . . . . . . 4333 1 826 . 1 1 74 74 VAL N N 15 119.76 0.1 . 1 . . . . . . . . 4333 1 827 . 1 1 75 75 GLY H H 1 7.935 0.01 . 1 . . . . . . . . 4333 1 828 . 1 1 75 75 GLY HA2 H 1 3.918 0.01 . 2 . . . . . . . . 4333 1 829 . 1 1 75 75 GLY HA3 H 1 3.767 0.01 . 2 . . . . . . . . 4333 1 830 . 1 1 75 75 GLY CA C 13 47.407 0.1 . 1 . . . . . . . . 4333 1 831 . 1 1 75 75 GLY N N 15 105.664 0.1 . 1 . . . . . . . . 4333 1 832 . 1 1 76 76 ALA H H 1 7.97 0.01 . 1 . . . . . . . . 4333 1 833 . 1 1 76 76 ALA HA H 1 4.064 0.01 . 1 . . . . . . . . 4333 1 834 . 1 1 76 76 ALA HB1 H 1 1.236 0.01 . 1 . . . . . . . . 4333 1 835 . 1 1 76 76 ALA HB2 H 1 1.236 0.01 . 1 . . . . . . . . 4333 1 836 . 1 1 76 76 ALA HB3 H 1 1.236 0.01 . 1 . . . . . . . . 4333 1 837 . 1 1 76 76 ALA CA C 13 55.347 0.1 . 1 . . . . . . . . 4333 1 838 . 1 1 76 76 ALA CB C 13 18.427 0.1 . 1 . . . . . . . . 4333 1 839 . 1 1 76 76 ALA N N 15 126.201 0.1 . 1 . . . . . . . . 4333 1 840 . 1 1 77 77 LEU H H 1 8.113 0.01 . 1 . . . . . . . . 4333 1 841 . 1 1 77 77 LEU HA H 1 3.766 0.01 . 1 . . . . . . . . 4333 1 842 . 1 1 77 77 LEU HB2 H 1 2.01 0.01 . 2 . . . . . . . . 4333 1 843 . 1 1 77 77 LEU HB3 H 1 1.372 0.01 . 2 . . . . . . . . 4333 1 844 . 1 1 77 77 LEU HG H 1 1.634 0.01 . 1 . . . . . . . . 4333 1 845 . 1 1 77 77 LEU HD11 H 1 0.653 0.01 . 1 . . . . . . . . 4333 1 846 . 1 1 77 77 LEU HD12 H 1 0.653 0.01 . 1 . . . . . . . . 4333 1 847 . 1 1 77 77 LEU HD13 H 1 0.653 0.01 . 1 . . . . . . . . 4333 1 848 . 1 1 77 77 LEU HD21 H 1 0.791 0.01 . 1 . . . . . . . . 4333 1 849 . 1 1 77 77 LEU HD22 H 1 0.791 0.01 . 1 . . . . . . . . 4333 1 850 . 1 1 77 77 LEU HD23 H 1 0.791 0.01 . 1 . . . . . . . . 4333 1 851 . 1 1 77 77 LEU CA C 13 58.234 0.1 . 1 . . . . . . . . 4333 1 852 . 1 1 77 77 LEU CB C 13 42.485 0.1 . 1 . . . . . . . . 4333 1 853 . 1 1 77 77 LEU CG C 13 27.039 0.1 . 1 . . . . . . . . 4333 1 854 . 1 1 77 77 LEU CD1 C 13 26.306 0.1 . 1 . . . . . . . . 4333 1 855 . 1 1 77 77 LEU CD2 C 13 24.938 0.1 . 1 . . . . . . . . 4333 1 856 . 1 1 77 77 LEU N N 15 118.885 0.1 . 1 . . . . . . . . 4333 1 857 . 1 1 78 78 ARG H H 1 8.38 0.01 . 1 . . . . . . . . 4333 1 858 . 1 1 78 78 ARG HA H 1 3.685 0.01 . 1 . . . . . . . . 4333 1 859 . 1 1 78 78 ARG HB2 H 1 1.841 0.01 . 2 . . . . . . . . 4333 1 860 . 1 1 78 78 ARG HB3 H 1 1.417 0.01 . 2 . . . . . . . . 4333 1 861 . 1 1 78 78 ARG HG2 H 1 1.882 0.01 . 2 . . . . . . . . 4333 1 862 . 1 1 78 78 ARG HG3 H 1 1.71 0.01 . 2 . . . . . . . . 4333 1 863 . 1 1 78 78 ARG HD2 H 1 3.155 0.01 . 2 . . . . . . . . 4333 1 864 . 1 1 78 78 ARG HD3 H 1 3.026 0.01 . 2 . . . . . . . . 4333 1 865 . 1 1 78 78 ARG HE H 1 7.161 0.01 . 1 . . . . . . . . 4333 1 866 . 1 1 78 78 ARG CA C 13 60.801 0.1 . 1 . . . . . . . . 4333 1 867 . 1 1 78 78 ARG CB C 13 29.242 0.1 . 1 . . . . . . . . 4333 1 868 . 1 1 78 78 ARG CG C 13 28.656 0.1 . 1 . . . . . . . . 4333 1 869 . 1 1 78 78 ARG CD C 13 42.83 0.1 . 1 . . . . . . . . 4333 1 870 . 1 1 78 78 ARG N N 15 118.108 0.1 . 1 . . . . . . . . 4333 1 871 . 1 1 78 78 ARG NE N 15 85.624 0.1 . 1 . . . . . . . . 4333 1 872 . 1 1 79 79 SER H H 1 8.31 0.01 . 1 . . . . . . . . 4333 1 873 . 1 1 79 79 SER HA H 1 4.251 0.01 . 1 . . . . . . . . 4333 1 874 . 1 1 79 79 SER HB2 H 1 3.981 0.01 . 2 . . . . . . . . 4333 1 875 . 1 1 79 79 SER HB3 H 1 3.847 0.01 . 2 . . . . . . . . 4333 1 876 . 1 1 79 79 SER CA C 13 62.293 0.1 . 1 . . . . . . . . 4333 1 877 . 1 1 79 79 SER CB C 13 63.47 0.1 . 1 . . . . . . . . 4333 1 878 . 1 1 79 79 SER N N 15 117.883 0.1 . 1 . . . . . . . . 4333 1 879 . 1 1 80 80 CYS H H 1 7.368 0.01 . 1 . . . . . . . . 4333 1 880 . 1 1 80 80 CYS HA H 1 4.799 0.01 . 1 . . . . . . . . 4333 1 881 . 1 1 80 80 CYS HB2 H 1 2.904 0.01 . 2 . . . . . . . . 4333 1 882 . 1 1 80 80 CYS HB3 H 1 2.803 0.01 . 2 . . . . . . . . 4333 1 883 . 1 1 80 80 CYS CA C 13 57.574 0.1 . 1 . . . . . . . . 4333 1 884 . 1 1 80 80 CYS CB C 13 27.335 0.1 . 1 . . . . . . . . 4333 1 885 . 1 1 80 80 CYS N N 15 115.261 0.1 . 1 . . . . . . . . 4333 1 886 . 1 1 81 81 GLN H H 1 7.832 0.01 . 1 . . . . . . . . 4333 1 887 . 1 1 81 81 GLN HA H 1 3.748 0.01 . 1 . . . . . . . . 4333 1 888 . 1 1 81 81 GLN HB2 H 1 2.36 0.01 . 1 . . . . . . . . 4333 1 889 . 1 1 81 81 GLN HB3 H 1 2.36 0.01 . 1 . . . . . . . . 4333 1 890 . 1 1 81 81 GLN HG2 H 1 2.284 0.01 . 1 . . . . . . . . 4333 1 891 . 1 1 81 81 GLN HG3 H 1 2.284 0.01 . 1 . . . . . . . . 4333 1 892 . 1 1 81 81 GLN HE21 H 1 7.485 0.01 . 2 . . . . . . . . 4333 1 893 . 1 1 81 81 GLN CA C 13 57.911 0.1 . 1 . . . . . . . . 4333 1 894 . 1 1 81 81 GLN CB C 13 25.207 0.1 . 1 . . . . . . . . 4333 1 895 . 1 1 81 81 GLN CG C 13 34.547 0.1 . 1 . . . . . . . . 4333 1 896 . 1 1 81 81 GLN N N 15 113.24 0.1 . 1 . . . . . . . . 4333 1 897 . 1 1 81 81 GLN NE2 N 15 113.233 0.1 . 1 . . . . . . . . 4333 1 898 . 1 1 82 82 MET H H 1 8.347 0.01 . 1 . . . . . . . . 4333 1 899 . 1 1 82 82 MET HA H 1 4.839 0.01 . 1 . . . . . . . . 4333 1 900 . 1 1 82 82 MET HB2 H 1 1.873 0.01 . 2 . . . . . . . . 4333 1 901 . 1 1 82 82 MET HB3 H 1 1.809 0.01 . 2 . . . . . . . . 4333 1 902 . 1 1 82 82 MET HG2 H 1 2.522 0.01 . 1 . . . . . . . . 4333 1 903 . 1 1 82 82 MET HG3 H 1 2.522 0.01 . 1 . . . . . . . . 4333 1 904 . 1 1 82 82 MET HE1 H 1 1.997 0.01 . 1 . . . . . . . . 4333 1 905 . 1 1 82 82 MET HE2 H 1 1.997 0.01 . 1 . . . . . . . . 4333 1 906 . 1 1 82 82 MET HE3 H 1 1.997 0.01 . 1 . . . . . . . . 4333 1 907 . 1 1 82 82 MET CA C 13 54.859 0.1 . 1 . . . . . . . . 4333 1 908 . 1 1 82 82 MET CB C 13 30.261 0.1 . 1 . . . . . . . . 4333 1 909 . 1 1 82 82 MET CG C 13 33.495 0.1 . 1 . . . . . . . . 4333 1 910 . 1 1 82 82 MET CE C 13 18.788 0.1 . 1 . . . . . . . . 4333 1 911 . 1 1 82 82 MET N N 15 122.313 0.1 . 1 . . . . . . . . 4333 1 912 . 1 1 83 83 ASN H H 1 7.452 0.01 . 1 . . . . . . . . 4333 1 913 . 1 1 83 83 ASN HA H 1 4.015 0.01 . 1 . . . . . . . . 4333 1 914 . 1 1 83 83 ASN HB2 H 1 2.768 0.01 . 2 . . . . . . . . 4333 1 915 . 1 1 83 83 ASN HB3 H 1 2.623 0.01 . 2 . . . . . . . . 4333 1 916 . 1 1 83 83 ASN HD21 H 1 7.744 0.01 . 2 . . . . . . . . 4333 1 917 . 1 1 83 83 ASN HD22 H 1 7.094 0.01 . 2 . . . . . . . . 4333 1 918 . 1 1 83 83 ASN CA C 13 57.608 0.1 . 1 . . . . . . . . 4333 1 919 . 1 1 83 83 ASN CB C 13 38.857 0.1 . 1 . . . . . . . . 4333 1 920 . 1 1 83 83 ASN N N 15 117.828 0.1 . 1 . . . . . . . . 4333 1 921 . 1 1 83 83 ASN ND2 N 15 114.322 0.1 . 1 . . . . . . . . 4333 1 922 . 1 1 84 84 LEU H H 1 8.289 0.01 . 1 . . . . . . . . 4333 1 923 . 1 1 84 84 LEU HA H 1 4.175 0.01 . 1 . . . . . . . . 4333 1 924 . 1 1 84 84 LEU HB2 H 1 1.733 0.01 . 2 . . . . . . . . 4333 1 925 . 1 1 84 84 LEU HB3 H 1 1.655 0.01 . 2 . . . . . . . . 4333 1 926 . 1 1 84 84 LEU HG H 1 1.602 0.01 . 1 . . . . . . . . 4333 1 927 . 1 1 84 84 LEU HD11 H 1 0.921 0.01 . 1 . . . . . . . . 4333 1 928 . 1 1 84 84 LEU HD12 H 1 0.921 0.01 . 1 . . . . . . . . 4333 1 929 . 1 1 84 84 LEU HD13 H 1 0.921 0.01 . 1 . . . . . . . . 4333 1 930 . 1 1 84 84 LEU HD21 H 1 0.859 0.01 . 1 . . . . . . . . 4333 1 931 . 1 1 84 84 LEU HD22 H 1 0.859 0.01 . 1 . . . . . . . . 4333 1 932 . 1 1 84 84 LEU HD23 H 1 0.859 0.01 . 1 . . . . . . . . 4333 1 933 . 1 1 84 84 LEU CA C 13 58.55 0.1 . 1 . . . . . . . . 4333 1 934 . 1 1 84 84 LEU CB C 13 41.165 0.1 . 1 . . . . . . . . 4333 1 935 . 1 1 84 84 LEU CG C 13 27.552 0.1 . 1 . . . . . . . . 4333 1 936 . 1 1 84 84 LEU CD1 C 13 24.748 0.1 . 1 . . . . . . . . 4333 1 937 . 1 1 84 84 LEU CD2 C 13 24.23 0.1 . 1 . . . . . . . . 4333 1 938 . 1 1 84 84 LEU N N 15 120.803 0.1 . 1 . . . . . . . . 4333 1 939 . 1 1 85 85 VAL H H 1 7.314 0.01 . 1 . . . . . . . . 4333 1 940 . 1 1 85 85 VAL HA H 1 3.414 0.01 . 1 . . . . . . . . 4333 1 941 . 1 1 85 85 VAL HB H 1 1.953 0.01 . 1 . . . . . . . . 4333 1 942 . 1 1 85 85 VAL HG11 H 1 0.836 0.01 . 1 . . . . . . . . 4333 1 943 . 1 1 85 85 VAL HG12 H 1 0.836 0.01 . 1 . . . . . . . . 4333 1 944 . 1 1 85 85 VAL HG13 H 1 0.836 0.01 . 1 . . . . . . . . 4333 1 945 . 1 1 85 85 VAL HG21 H 1 0.904 0.01 . 1 . . . . . . . . 4333 1 946 . 1 1 85 85 VAL HG22 H 1 0.904 0.01 . 1 . . . . . . . . 4333 1 947 . 1 1 85 85 VAL HG23 H 1 0.904 0.01 . 1 . . . . . . . . 4333 1 948 . 1 1 85 85 VAL CA C 13 66.287 0.1 . 1 . . . . . . . . 4333 1 949 . 1 1 85 85 VAL CB C 13 31.688 0.1 . 1 . . . . . . . . 4333 1 950 . 1 1 85 85 VAL CG1 C 13 23.85 0.1 . 1 . . . . . . . . 4333 1 951 . 1 1 85 85 VAL CG2 C 13 23.593 0.1 . 1 . . . . . . . . 4333 1 952 . 1 1 85 85 VAL N N 15 117.737 0.1 . 1 . . . . . . . . 4333 1 953 . 1 1 86 86 ALA H H 1 8 0.01 . 1 . . . . . . . . 4333 1 954 . 1 1 86 86 ALA HA H 1 3.776 0.01 . 1 . . . . . . . . 4333 1 955 . 1 1 86 86 ALA HB1 H 1 1.436 0.01 . 1 . . . . . . . . 4333 1 956 . 1 1 86 86 ALA HB2 H 1 1.436 0.01 . 1 . . . . . . . . 4333 1 957 . 1 1 86 86 ALA HB3 H 1 1.436 0.01 . 1 . . . . . . . . 4333 1 958 . 1 1 86 86 ALA CA C 13 55.975 0.1 . 1 . . . . . . . . 4333 1 959 . 1 1 86 86 ALA CB C 13 18.388 0.1 . 1 . . . . . . . . 4333 1 960 . 1 1 86 86 ALA N N 15 121.824 0.1 . 1 . . . . . . . . 4333 1 961 . 1 1 87 87 ASP H H 1 8.219 0.01 . 1 . . . . . . . . 4333 1 962 . 1 1 87 87 ASP HA H 1 4.229 0.01 . 1 . . . . . . . . 4333 1 963 . 1 1 87 87 ASP HB2 H 1 2.909 0.01 . 2 . . . . . . . . 4333 1 964 . 1 1 87 87 ASP HB3 H 1 2.619 0.01 . 2 . . . . . . . . 4333 1 965 . 1 1 87 87 ASP CA C 13 57.646 0.1 . 1 . . . . . . . . 4333 1 966 . 1 1 87 87 ASP CB C 13 39.64 0.1 . 1 . . . . . . . . 4333 1 967 . 1 1 87 87 ASP N N 15 118.221 0.1 . 1 . . . . . . . . 4333 1 968 . 1 1 88 88 LEU H H 1 7.771 0.01 . 1 . . . . . . . . 4333 1 969 . 1 1 88 88 LEU HA H 1 4.104 0.01 . 1 . . . . . . . . 4333 1 970 . 1 1 88 88 LEU HB2 H 1 1.894 0.01 . 2 . . . . . . . . 4333 1 971 . 1 1 88 88 LEU HB3 H 1 1.399 0.01 . 2 . . . . . . . . 4333 1 972 . 1 1 88 88 LEU HG H 1 1.847 0.01 . 1 . . . . . . . . 4333 1 973 . 1 1 88 88 LEU HD11 H 1 0.754 0.01 . 1 . . . . . . . . 4333 1 974 . 1 1 88 88 LEU HD12 H 1 0.754 0.01 . 1 . . . . . . . . 4333 1 975 . 1 1 88 88 LEU HD13 H 1 0.754 0.01 . 1 . . . . . . . . 4333 1 976 . 1 1 88 88 LEU HD21 H 1 0.811 0.01 . 1 . . . . . . . . 4333 1 977 . 1 1 88 88 LEU HD22 H 1 0.811 0.01 . 1 . . . . . . . . 4333 1 978 . 1 1 88 88 LEU HD23 H 1 0.811 0.01 . 1 . . . . . . . . 4333 1 979 . 1 1 88 88 LEU CA C 13 58.075 0.1 . 1 . . . . . . . . 4333 1 980 . 1 1 88 88 LEU CB C 13 42.443 0.1 . 1 . . . . . . . . 4333 1 981 . 1 1 88 88 LEU CG C 13 27.571 0.1 . 1 . . . . . . . . 4333 1 982 . 1 1 88 88 LEU CD1 C 13 25.471 0.1 . 1 . . . . . . . . 4333 1 983 . 1 1 88 88 LEU CD2 C 13 22.702 0.1 . 1 . . . . . . . . 4333 1 984 . 1 1 88 88 LEU N N 15 121.683 0.1 . 1 . . . . . . . . 4333 1 985 . 1 1 89 89 VAL H H 1 8.386 0.01 . 1 . . . . . . . . 4333 1 986 . 1 1 89 89 VAL HA H 1 3.461 0.01 . 1 . . . . . . . . 4333 1 987 . 1 1 89 89 VAL HB H 1 2.135 0.01 . 1 . . . . . . . . 4333 1 988 . 1 1 89 89 VAL HG11 H 1 0.789 0.01 . 1 . . . . . . . . 4333 1 989 . 1 1 89 89 VAL HG12 H 1 0.789 0.01 . 1 . . . . . . . . 4333 1 990 . 1 1 89 89 VAL HG13 H 1 0.789 0.01 . 1 . . . . . . . . 4333 1 991 . 1 1 89 89 VAL HG21 H 1 0.922 0.01 . 1 . . . . . . . . 4333 1 992 . 1 1 89 89 VAL HG22 H 1 0.922 0.01 . 1 . . . . . . . . 4333 1 993 . 1 1 89 89 VAL HG23 H 1 0.922 0.01 . 1 . . . . . . . . 4333 1 994 . 1 1 89 89 VAL CA C 13 66.759 0.1 . 1 . . . . . . . . 4333 1 995 . 1 1 89 89 VAL CB C 13 31.446 0.1 . 1 . . . . . . . . 4333 1 996 . 1 1 89 89 VAL CG1 C 13 23.153 0.1 . 1 . . . . . . . . 4333 1 997 . 1 1 89 89 VAL CG2 C 13 24.01 0.1 . 1 . . . . . . . . 4333 1 998 . 1 1 89 89 VAL N N 15 121.001 0.1 . 1 . . . . . . . . 4333 1 999 . 1 1 90 90 GLN H H 1 8.415 0.01 . 1 . . . . . . . . 4333 1 1000 . 1 1 90 90 GLN HA H 1 3.958 0.01 . 1 . . . . . . . . 4333 1 1001 . 1 1 90 90 GLN HB2 H 1 2.202 0.01 . 2 . . . . . . . . 4333 1 1002 . 1 1 90 90 GLN HB3 H 1 2.107 0.01 . 2 . . . . . . . . 4333 1 1003 . 1 1 90 90 GLN HG2 H 1 2.414 0.01 . 2 . . . . . . . . 4333 1 1004 . 1 1 90 90 GLN HG3 H 1 2.31 0.01 . 2 . . . . . . . . 4333 1 1005 . 1 1 90 90 GLN HE21 H 1 7.478 0.01 . 2 . . . . . . . . 4333 1 1006 . 1 1 90 90 GLN HE22 H 1 6.799 0.01 . 2 . . . . . . . . 4333 1 1007 . 1 1 90 90 GLN CA C 13 59.322 0.1 . 1 . . . . . . . . 4333 1 1008 . 1 1 90 90 GLN CB C 13 28.931 0.1 . 1 . . . . . . . . 4333 1 1009 . 1 1 90 90 GLN CG C 13 34.872 0.1 . 1 . . . . . . . . 4333 1 1010 . 1 1 90 90 GLN N N 15 119.168 0.1 . 1 . . . . . . . . 4333 1 1011 . 1 1 90 90 GLN NE2 N 15 112.025 0.1 . 1 . . . . . . . . 4333 1 1012 . 1 1 91 91 GLU H H 1 8.03 0.01 . 1 . . . . . . . . 4333 1 1013 . 1 1 91 91 GLU HA H 1 4.028 0.01 . 1 . . . . . . . . 4333 1 1014 . 1 1 91 91 GLU HB2 H 1 2.133 0.01 . 1 . . . . . . . . 4333 1 1015 . 1 1 91 91 GLU HB3 H 1 2.133 0.01 . 1 . . . . . . . . 4333 1 1016 . 1 1 91 91 GLU HG2 H 1 2.405 0.01 . 2 . . . . . . . . 4333 1 1017 . 1 1 91 91 GLU HG3 H 1 2.235 0.01 . 2 . . . . . . . . 4333 1 1018 . 1 1 91 91 GLU CA C 13 59.439 0.1 . 1 . . . . . . . . 4333 1 1019 . 1 1 91 91 GLU CB C 13 29.769 0.1 . 1 . . . . . . . . 4333 1 1020 . 1 1 91 91 GLU CG C 13 36.412 0.1 . 1 . . . . . . . . 4333 1 1021 . 1 1 91 91 GLU N N 15 120.131 0.1 . 1 . . . . . . . . 4333 1 1022 . 1 1 92 92 VAL H H 1 7.855 0.01 . 1 . . . . . . . . 4333 1 1023 . 1 1 92 92 VAL HA H 1 3.823 0.01 . 1 . . . . . . . . 4333 1 1024 . 1 1 92 92 VAL HB H 1 2.271 0.01 . 1 . . . . . . . . 4333 1 1025 . 1 1 92 92 VAL HG11 H 1 0.906 0.01 . 2 . . . . . . . . 4333 1 1026 . 1 1 92 92 VAL HG12 H 1 0.906 0.01 . 2 . . . . . . . . 4333 1 1027 . 1 1 92 92 VAL HG13 H 1 0.906 0.01 . 2 . . . . . . . . 4333 1 1028 . 1 1 92 92 VAL HG21 H 1 1.022 0.01 . 2 . . . . . . . . 4333 1 1029 . 1 1 92 92 VAL HG22 H 1 1.022 0.01 . 2 . . . . . . . . 4333 1 1030 . 1 1 92 92 VAL HG23 H 1 1.022 0.01 . 2 . . . . . . . . 4333 1 1031 . 1 1 92 92 VAL CA C 13 65.819 0.1 . 1 . . . . . . . . 4333 1 1032 . 1 1 92 92 VAL CB C 13 31.715 0.1 . 1 . . . . . . . . 4333 1 1033 . 1 1 92 92 VAL CG1 C 13 21.365 0.1 . 2 . . . . . . . . 4333 1 1034 . 1 1 92 92 VAL CG2 C 13 22.856 0.1 . 2 . . . . . . . . 4333 1 1035 . 1 1 92 92 VAL N N 15 120.634 0.1 . 1 . . . . . . . . 4333 1 1036 . 1 1 93 93 GLN H H 1 7.99 0.01 . 1 . . . . . . . . 4333 1 1037 . 1 1 93 93 GLN HA H 1 3.961 0.01 . 1 . . . . . . . . 4333 1 1038 . 1 1 93 93 GLN HB2 H 1 2.107 0.01 . 1 . . . . . . . . 4333 1 1039 . 1 1 93 93 GLN HB3 H 1 2.107 0.01 . 1 . . . . . . . . 4333 1 1040 . 1 1 93 93 GLN HG2 H 1 2.321 0.01 . 1 . . . . . . . . 4333 1 1041 . 1 1 93 93 GLN HG3 H 1 2.321 0.01 . 1 . . . . . . . . 4333 1 1042 . 1 1 93 93 GLN HE21 H 1 7.46 0.01 . 2 . . . . . . . . 4333 1 1043 . 1 1 93 93 GLN HE22 H 1 6.665 0.01 . 2 . . . . . . . . 4333 1 1044 . 1 1 93 93 GLN CA C 13 58.055 0.1 . 1 . . . . . . . . 4333 1 1045 . 1 1 93 93 GLN CB C 13 28.427 0.1 . 1 . . . . . . . . 4333 1 1046 . 1 1 93 93 GLN CG C 13 33.575 0.1 . 1 . . . . . . . . 4333 1 1047 . 1 1 93 93 GLN N N 15 120.678 0.1 . 1 . . . . . . . . 4333 1 1048 . 1 1 93 93 GLN NE2 N 15 112.565 0.1 . 1 . . . . . . . . 4333 1 1049 . 1 1 94 94 GLN H H 1 8.326 0.01 . 1 . . . . . . . . 4333 1 1050 . 1 1 94 94 GLN HA H 1 4.146 0.01 . 1 . . . . . . . . 4333 1 1051 . 1 1 94 94 GLN HB2 H 1 2.106 0.01 . 1 . . . . . . . . 4333 1 1052 . 1 1 94 94 GLN HB3 H 1 2.106 0.01 . 1 . . . . . . . . 4333 1 1053 . 1 1 94 94 GLN HG2 H 1 2.476 0.01 . 2 . . . . . . . . 4333 1 1054 . 1 1 94 94 GLN HG3 H 1 2.404 0.01 . 2 . . . . . . . . 4333 1 1055 . 1 1 94 94 GLN CA C 13 58.187 0.1 . 1 . . . . . . . . 4333 1 1056 . 1 1 94 94 GLN CB C 13 28.906 0.1 . 1 . . . . . . . . 4333 1 1057 . 1 1 94 94 GLN CG C 13 34.342 0.1 . 1 . . . . . . . . 4333 1 1058 . 1 1 94 94 GLN N N 15 119.115 0.1 . 1 . . . . . . . . 4333 1 1059 . 1 1 95 95 ALA H H 1 7.843 0.01 . 1 . . . . . . . . 4333 1 1060 . 1 1 95 95 ALA HA H 1 4.167 0.01 . 1 . . . . . . . . 4333 1 1061 . 1 1 95 95 ALA HB1 H 1 1.462 0.01 . 1 . . . . . . . . 4333 1 1062 . 1 1 95 95 ALA HB2 H 1 1.462 0.01 . 1 . . . . . . . . 4333 1 1063 . 1 1 95 95 ALA HB3 H 1 1.462 0.01 . 1 . . . . . . . . 4333 1 1064 . 1 1 95 95 ALA CA C 13 54.501 0.1 . 1 . . . . . . . . 4333 1 1065 . 1 1 95 95 ALA CB C 13 18.302 0.1 . 1 . . . . . . . . 4333 1 1066 . 1 1 95 95 ALA N N 15 122.579 0.1 . 1 . . . . . . . . 4333 1 1067 . 1 1 96 96 ARG H H 1 8.02 0.01 . 1 . . . . . . . . 4333 1 1068 . 1 1 96 96 ARG HA H 1 4.035 0.01 . 1 . . . . . . . . 4333 1 1069 . 1 1 96 96 ARG HB2 H 1 1.906 0.01 . 2 . . . . . . . . 4333 1 1070 . 1 1 96 96 ARG HB3 H 1 1.804 0.01 . 2 . . . . . . . . 4333 1 1071 . 1 1 96 96 ARG HG2 H 1 1.733 0.01 . 2 . . . . . . . . 4333 1 1072 . 1 1 96 96 ARG HG3 H 1 1.595 0.01 . 2 . . . . . . . . 4333 1 1073 . 1 1 96 96 ARG HD2 H 1 3.168 0.01 . 2 . . . . . . . . 4333 1 1074 . 1 1 96 96 ARG HD3 H 1 3.098 0.01 . 2 . . . . . . . . 4333 1 1075 . 1 1 96 96 ARG HE H 1 7.672 0.01 . 1 . . . . . . . . 4333 1 1076 . 1 1 96 96 ARG CA C 13 58.428 0.1 . 1 . . . . . . . . 4333 1 1077 . 1 1 96 96 ARG CB C 13 30.128 0.1 . 1 . . . . . . . . 4333 1 1078 . 1 1 96 96 ARG CG C 13 27.528 0.1 . 1 . . . . . . . . 4333 1 1079 . 1 1 96 96 ARG N N 15 120.222 0.1 . 1 . . . . . . . . 4333 1 1080 . 1 1 96 96 ARG NE N 15 83.642 0.1 . 1 . . . . . . . . 4333 1 1081 . 1 1 97 97 ASP H H 1 8.375 0.01 . 1 . . . . . . . . 4333 1 1082 . 1 1 97 97 ASP HA H 1 4.47 0.01 . 1 . . . . . . . . 4333 1 1083 . 1 1 97 97 ASP HB2 H 1 2.694 0.01 . 1 . . . . . . . . 4333 1 1084 . 1 1 97 97 ASP HB3 H 1 2.694 0.01 . 1 . . . . . . . . 4333 1 1085 . 1 1 97 97 ASP CA C 13 56.29 0.1 . 1 . . . . . . . . 4333 1 1086 . 1 1 97 97 ASP CB C 13 40.784 0.1 . 1 . . . . . . . . 4333 1 1087 . 1 1 97 97 ASP N N 15 120.87 0.1 . 1 . . . . . . . . 4333 1 1088 . 1 1 98 98 LEU H H 1 7.852 0.01 . 1 . . . . . . . . 4333 1 1089 . 1 1 98 98 LEU HA H 1 4.156 0.01 . 1 . . . . . . . . 4333 1 1090 . 1 1 98 98 LEU HB2 H 1 1.731 0.01 . 2 . . . . . . . . 4333 1 1091 . 1 1 98 98 LEU HB3 H 1 1.613 0.01 . 2 . . . . . . . . 4333 1 1092 . 1 1 98 98 LEU HG H 1 1.683 0.01 . 1 . . . . . . . . 4333 1 1093 . 1 1 98 98 LEU HD11 H 1 0.888 0.01 . 1 . . . . . . . . 4333 1 1094 . 1 1 98 98 LEU HD12 H 1 0.888 0.01 . 1 . . . . . . . . 4333 1 1095 . 1 1 98 98 LEU HD13 H 1 0.888 0.01 . 1 . . . . . . . . 4333 1 1096 . 1 1 98 98 LEU HD21 H 1 0.841 0.01 . 1 . . . . . . . . 4333 1 1097 . 1 1 98 98 LEU HD22 H 1 0.841 0.01 . 1 . . . . . . . . 4333 1 1098 . 1 1 98 98 LEU HD23 H 1 0.841 0.01 . 1 . . . . . . . . 4333 1 1099 . 1 1 98 98 LEU CA C 13 56.762 0.1 . 1 . . . . . . . . 4333 1 1100 . 1 1 98 98 LEU CB C 13 42.169 0.1 . 1 . . . . . . . . 4333 1 1101 . 1 1 98 98 LEU CG C 13 27.026 0.1 . 1 . . . . . . . . 4333 1 1102 . 1 1 98 98 LEU CD1 C 13 24.898 0.1 . 1 . . . . . . . . 4333 1 1103 . 1 1 98 98 LEU CD2 C 13 23.598 0.1 . 1 . . . . . . . . 4333 1 1104 . 1 1 98 98 LEU N N 15 120.884 0.1 . 1 . . . . . . . . 4333 1 1105 . 1 1 99 99 GLN H H 1 7.906 0.01 . 1 . . . . . . . . 4333 1 1106 . 1 1 99 99 GLN HA H 1 4.156 0.01 . 1 . . . . . . . . 4333 1 1107 . 1 1 99 99 GLN HB2 H 1 2.098 0.01 . 1 . . . . . . . . 4333 1 1108 . 1 1 99 99 GLN HB3 H 1 2.098 0.01 . 1 . . . . . . . . 4333 1 1109 . 1 1 99 99 GLN HG2 H 1 2.393 0.01 . 1 . . . . . . . . 4333 1 1110 . 1 1 99 99 GLN HG3 H 1 2.393 0.01 . 1 . . . . . . . . 4333 1 1111 . 1 1 99 99 GLN CA C 13 57.148 0.1 . 1 . . . . . . . . 4333 1 1112 . 1 1 99 99 GLN CB C 13 28.919 0.1 . 1 . . . . . . . . 4333 1 1113 . 1 1 99 99 GLN CG C 13 34.024 0.1 . 1 . . . . . . . . 4333 1 1114 . 1 1 99 99 GLN N N 15 119.075 0.1 . 1 . . . . . . . . 4333 1 1115 . 1 1 100 100 ASN H H 1 8.184 0.01 . 1 . . . . . . . . 4333 1 1116 . 1 1 100 100 ASN HA H 1 4.665 0.01 . 1 . . . . . . . . 4333 1 1117 . 1 1 100 100 ASN HB2 H 1 2.864 0.01 . 2 . . . . . . . . 4333 1 1118 . 1 1 100 100 ASN HB3 H 1 2.785 0.01 . 2 . . . . . . . . 4333 1 1119 . 1 1 100 100 ASN HD21 H 1 6.91 0.01 . 2 . . . . . . . . 4333 1 1120 . 1 1 100 100 ASN HD22 H 1 7.71 0.01 . 2 . . . . . . . . 4333 1 1121 . 1 1 100 100 ASN CA C 13 53.911 0.1 . 1 . . . . . . . . 4333 1 1122 . 1 1 100 100 ASN CB C 13 38.894 0.1 . 1 . . . . . . . . 4333 1 1123 . 1 1 100 100 ASN N N 15 118.47 0.1 . 1 . . . . . . . . 4333 1 1124 . 1 1 100 100 ASN ND2 N 15 113.523 0.1 . 1 . . . . . . . . 4333 1 1125 . 1 1 101 101 ARG H H 1 8.041 0.01 . 1 . . . . . . . . 4333 1 1126 . 1 1 101 101 ARG HA H 1 4.351 0.01 . 1 . . . . . . . . 4333 1 1127 . 1 1 101 101 ARG HB2 H 1 1.906 0.01 . 2 . . . . . . . . 4333 1 1128 . 1 1 101 101 ARG HB3 H 1 1.791 0.01 . 2 . . . . . . . . 4333 1 1129 . 1 1 101 101 ARG HG2 H 1 1.639 0.01 . 1 . . . . . . . . 4333 1 1130 . 1 1 101 101 ARG HG3 H 1 1.639 0.01 . 1 . . . . . . . . 4333 1 1131 . 1 1 101 101 ARG HD2 H 1 3.163 0.01 . 1 . . . . . . . . 4333 1 1132 . 1 1 101 101 ARG HD3 H 1 3.163 0.01 . 1 . . . . . . . . 4333 1 1133 . 1 1 101 101 ARG CA C 13 56.548 0.1 . 1 . . . . . . . . 4333 1 1134 . 1 1 101 101 ARG CB C 13 30.764 0.1 . 1 . . . . . . . . 4333 1 1135 . 1 1 101 101 ARG CG C 13 27.262 0.1 . 1 . . . . . . . . 4333 1 1136 . 1 1 101 101 ARG CD C 13 43.568 0.1 . 1 . . . . . . . . 4333 1 1137 . 1 1 101 101 ARG N N 15 121.224 0.1 . 1 . . . . . . . . 4333 1 1138 . 1 1 102 102 SER H H 1 8.248 0.01 . 1 . . . . . . . . 4333 1 1139 . 1 1 102 102 SER HA H 1 4.426 0.01 . 1 . . . . . . . . 4333 1 1140 . 1 1 102 102 SER HB2 H 1 3.881 0.01 . 1 . . . . . . . . 4333 1 1141 . 1 1 102 102 SER HB3 H 1 3.881 0.01 . 1 . . . . . . . . 4333 1 1142 . 1 1 102 102 SER CA C 13 58.899 0.1 . 1 . . . . . . . . 4333 1 1143 . 1 1 102 102 SER CB C 13 63.947 0.1 . 1 . . . . . . . . 4333 1 1144 . 1 1 102 102 SER N N 15 116.881 0.1 . 1 . . . . . . . . 4333 1 1145 . 1 1 103 103 GLY H H 1 8.321 0.01 . 1 . . . . . . . . 4333 1 1146 . 1 1 103 103 GLY HA2 H 1 3.918 0.01 . 1 . . . . . . . . 4333 1 1147 . 1 1 103 103 GLY HA3 H 1 3.918 0.01 . 1 . . . . . . . . 4333 1 1148 . 1 1 103 103 GLY CA C 13 45.444 0.1 . 1 . . . . . . . . 4333 1 1149 . 1 1 103 103 GLY N N 15 111.883 0.1 . 1 . . . . . . . . 4333 1 1150 . 1 1 104 104 ALA H H 1 7.789 0.01 . 1 . . . . . . . . 4333 1 1151 . 1 1 104 104 ALA HA H 1 4.109 0.01 . 1 . . . . . . . . 4333 1 1152 . 1 1 104 104 ALA HB1 H 1 1.289 0.01 . 1 . . . . . . . . 4333 1 1153 . 1 1 104 104 ALA HB2 H 1 1.289 0.01 . 1 . . . . . . . . 4333 1 1154 . 1 1 104 104 ALA HB3 H 1 1.289 0.01 . 1 . . . . . . . . 4333 1 1155 . 1 1 104 104 ALA CA C 13 53.841 0.1 . 1 . . . . . . . . 4333 1 1156 . 1 1 104 104 ALA CB C 13 20.228 0.1 . 1 . . . . . . . . 4333 1 1157 . 1 1 104 104 ALA N N 15 129.703 0.1 . 1 . . . . . . . . 4333 1 stop_ save_